USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 982 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 100 GLN : amide:sc= 0.674 K(o=1.8,f=-0.38) USER MOD Set 1.2: A 129 SER OG : rot -6:sc= 1.14 USER MOD Set 2.1: A 93 THR OG1 : rot -23:sc= -1.1 USER MOD Set 2.2: A 96 GLN : amide:sc= -0.0551 K(o=-1.2,f=-2.9!) USER MOD Set 3.1: A 1 GLY N :NH3+ 137:sc= 0.381 (180deg=0) USER MOD Set 3.2: A 38 SER OG : rot -110:sc= 0.331 USER MOD Set 3.3: A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc=-0.00175 X(o=-0.0017,f=-0.082) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 0.0037 (180deg=0.00328) USER MOD Single : A 7 THR OG1 : rot -110:sc= -6.02! USER MOD Single : A 9 CYS SG : rot 180:sc= 0.00714 USER MOD Single : A 13 GLN : amide:sc= 0.0303 X(o=0.03,f=0) USER MOD Single : A 14 ASN : amide:sc= 1.06 K(o=1.1,f=-0.21) USER MOD Single : A 17 LYS NZ :NH3+ 135:sc= -0.715 (180deg=-1.29) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.145 USER MOD Single : A 28 HIS : no HD1:sc= -4.65! C(o=-4.6!,f=-4.2!) USER MOD Single : A 32 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.8!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0646 USER MOD Single : A 41 GLN : amide:sc= -9.41! C(o=-9.4!,f=-16!) USER MOD Single : A 44 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.035) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -53:sc= 1.15 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc=0.000935 X(o=0.00094,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= -0.897 (180deg=-0.902) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0869 X(o=-0.087,f=-0.23) USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0923) USER MOD Single : A 79 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.53) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0132 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.329 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 107 THR OG1 : rot 53:sc= -0.276 USER MOD Single : A 109 LYS NZ :NH3+ 168:sc= -0.0155 (180deg=-0.166) USER MOD Single : A 110 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.028) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.00572 USER MOD Single : A 114 LYS NZ :NH3+ 167:sc= -0.0205 (180deg=-0.167) USER MOD Single : A 128 LYS NZ :NH3+ 136:sc= 0.0674 (180deg=-0.238) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.912 8.568 14.578 1.00 0.00 N ATOM 2 CA GLY A 1 9.870 9.098 15.587 1.00 0.00 C ATOM 3 C GLY A 1 9.721 8.427 16.938 1.00 0.00 C ATOM 4 O GLY A 1 8.858 8.800 17.732 1.00 0.00 O ATOM 0 H1 GLY A 1 8.510 9.357 14.033 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.409 7.921 13.934 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.147 8.055 15.061 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.889 8.957 15.225 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.717 10.171 15.699 1.00 0.00 H new ATOM 10 N SER A 2 10.565 7.433 17.198 1.00 0.00 N ATOM 11 CA SER A 2 10.525 6.707 18.462 1.00 0.00 C ATOM 12 C SER A 2 11.739 7.036 19.330 1.00 0.00 C ATOM 13 O SER A 2 11.764 6.720 20.520 1.00 0.00 O ATOM 14 CB SER A 2 10.463 5.200 18.206 1.00 0.00 C ATOM 15 OG SER A 2 11.732 4.694 17.829 1.00 0.00 O ATOM 0 H SER A 2 11.285 7.112 16.550 1.00 0.00 H new ATOM 0 HA SER A 2 9.628 7.019 18.997 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.117 4.689 19.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.737 4.991 17.421 1.00 0.00 H new ATOM 0 HG SER A 2 11.666 3.729 17.673 1.00 0.00 H new ATOM 21 N HIS A 3 12.744 7.671 18.731 1.00 0.00 N ATOM 22 CA HIS A 3 13.956 8.038 19.456 1.00 0.00 C ATOM 23 C HIS A 3 14.702 6.795 19.932 1.00 0.00 C ATOM 24 O HIS A 3 14.328 5.670 19.601 1.00 0.00 O ATOM 25 CB HIS A 3 13.613 8.933 20.650 1.00 0.00 C ATOM 26 CG HIS A 3 13.754 10.395 20.361 1.00 0.00 C ATOM 27 ND1 HIS A 3 13.433 10.957 19.143 1.00 0.00 N ATOM 28 CD2 HIS A 3 14.182 11.415 21.141 1.00 0.00 C ATOM 29 CE1 HIS A 3 13.660 12.258 19.186 1.00 0.00 C ATOM 30 NE2 HIS A 3 14.113 12.561 20.388 1.00 0.00 N ATOM 0 H HIS A 3 12.742 7.941 17.747 1.00 0.00 H new ATOM 0 HA HIS A 3 14.604 8.590 18.775 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.589 8.730 20.964 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.260 8.672 21.487 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.516 11.341 22.165 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.502 12.954 18.376 1.00 0.00 H new ATOM 0 HE2 HIS A 3 14.370 13.495 20.706 1.00 0.00 H new ATOM 39 N MET A 4 15.760 7.006 20.709 1.00 0.00 N ATOM 40 CA MET A 4 16.562 5.903 21.232 1.00 0.00 C ATOM 41 C MET A 4 17.313 5.195 20.107 1.00 0.00 C ATOM 42 O MET A 4 17.616 4.006 20.204 1.00 0.00 O ATOM 43 CB MET A 4 15.673 4.905 21.981 1.00 0.00 C ATOM 44 CG MET A 4 16.108 4.666 23.419 1.00 0.00 C ATOM 45 SD MET A 4 16.609 2.960 23.723 1.00 0.00 S ATOM 46 CE MET A 4 15.140 2.313 24.519 1.00 0.00 C ATOM 0 H MET A 4 16.083 7.932 20.991 1.00 0.00 H new ATOM 0 HA MET A 4 17.293 6.316 21.927 1.00 0.00 H new ATOM 0 HB2 MET A 4 14.646 5.270 21.976 1.00 0.00 H new ATOM 0 HB3 MET A 4 15.676 3.955 21.446 1.00 0.00 H new ATOM 0 HG2 MET A 4 16.937 5.332 23.658 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.288 4.924 24.089 1.00 0.00 H new ATOM 0 HE1 MET A 4 15.294 1.263 24.769 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.941 2.878 25.430 1.00 0.00 H new ATOM 0 HE3 MET A 4 14.290 2.404 23.843 1.00 0.00 H new ATOM 56 N ASP A 5 17.612 5.932 19.042 1.00 0.00 N ATOM 57 CA ASP A 5 18.330 5.375 17.900 1.00 0.00 C ATOM 58 C ASP A 5 17.581 4.182 17.314 1.00 0.00 C ATOM 59 O ASP A 5 17.571 3.096 17.895 1.00 0.00 O ATOM 60 CB ASP A 5 19.740 4.952 18.316 1.00 0.00 C ATOM 61 CG ASP A 5 20.688 6.131 18.426 1.00 0.00 C ATOM 62 OD1 ASP A 5 20.789 6.905 17.451 1.00 0.00 O ATOM 63 OD2 ASP A 5 21.329 6.278 19.487 1.00 0.00 O ATOM 0 H ASP A 5 17.368 6.918 18.946 1.00 0.00 H new ATOM 0 HA ASP A 5 18.400 6.148 17.135 1.00 0.00 H new ATOM 0 HB2 ASP A 5 19.694 4.436 19.275 1.00 0.00 H new ATOM 0 HB3 ASP A 5 20.132 4.240 17.590 1.00 0.00 H new ATOM 68 N LYS A 6 16.958 4.390 16.158 1.00 0.00 N ATOM 69 CA LYS A 6 16.209 3.330 15.494 1.00 0.00 C ATOM 70 C LYS A 6 16.036 3.632 14.010 1.00 0.00 C ATOM 71 O LYS A 6 15.532 4.690 13.634 1.00 0.00 O ATOM 72 CB LYS A 6 14.840 3.152 16.154 1.00 0.00 C ATOM 73 CG LYS A 6 14.404 1.700 16.266 1.00 0.00 C ATOM 74 CD LYS A 6 15.012 1.027 17.486 1.00 0.00 C ATOM 75 CE LYS A 6 16.156 0.103 17.101 1.00 0.00 C ATOM 76 NZ LYS A 6 17.106 -0.106 18.228 1.00 0.00 N ATOM 0 H LYS A 6 16.957 5.282 15.663 1.00 0.00 H new ATOM 0 HA LYS A 6 16.775 2.404 15.593 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.866 3.593 17.150 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.095 3.703 15.581 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.317 1.649 16.325 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.700 1.160 15.366 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.374 1.786 18.179 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.244 0.458 18.009 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.754 -0.859 16.782 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.691 0.523 16.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.833 -0.794 17.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.560 0.797 18.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.589 -0.467 19.055 1.00 0.00 H new ATOM 90 N THR A 7 16.459 2.693 13.169 1.00 0.00 N ATOM 91 CA THR A 7 16.352 2.855 11.724 1.00 0.00 C ATOM 92 C THR A 7 15.839 1.580 11.074 1.00 0.00 C ATOM 93 O THR A 7 16.345 0.492 11.347 1.00 0.00 O ATOM 94 CB THR A 7 17.708 3.198 11.135 1.00 0.00 C ATOM 95 OG1 THR A 7 17.675 3.135 9.721 1.00 0.00 O ATOM 96 CG2 THR A 7 18.800 2.268 11.614 1.00 0.00 C ATOM 0 H THR A 7 16.879 1.812 13.464 1.00 0.00 H new ATOM 0 HA THR A 7 15.648 3.664 11.528 1.00 0.00 H new ATOM 0 HB THR A 7 17.931 4.211 11.471 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.199 2.366 9.416 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.749 2.558 11.162 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.881 2.330 12.699 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.559 1.245 11.326 1.00 0.00 H new ATOM 104 N PHE A 8 14.834 1.708 10.217 1.00 0.00 N ATOM 105 CA PHE A 8 14.281 0.539 9.553 1.00 0.00 C ATOM 106 C PHE A 8 13.789 0.819 8.136 1.00 0.00 C ATOM 107 O PHE A 8 13.247 1.885 7.844 1.00 0.00 O ATOM 108 CB PHE A 8 13.155 -0.052 10.387 1.00 0.00 C ATOM 109 CG PHE A 8 13.383 -1.490 10.708 1.00 0.00 C ATOM 110 CD1 PHE A 8 14.148 -1.850 11.803 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.841 -2.481 9.909 1.00 0.00 C ATOM 112 CE1 PHE A 8 14.371 -3.180 12.101 1.00 0.00 C ATOM 113 CE2 PHE A 8 13.061 -3.815 10.201 1.00 0.00 C ATOM 114 CZ PHE A 8 13.827 -4.164 11.297 1.00 0.00 C ATOM 0 H PHE A 8 14.393 2.594 9.970 1.00 0.00 H new ATOM 0 HA PHE A 8 15.097 -0.178 9.461 1.00 0.00 H new ATOM 0 HB2 PHE A 8 13.057 0.514 11.314 1.00 0.00 H new ATOM 0 HB3 PHE A 8 12.213 0.053 9.848 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.575 -1.083 12.432 1.00 0.00 H new ATOM 0 HD2 PHE A 8 12.242 -2.211 9.052 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.968 -3.450 12.959 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.635 -4.583 9.573 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.001 -5.205 11.525 1.00 0.00 H new ATOM 124 N CYS A 9 13.952 -0.183 7.278 1.00 0.00 N ATOM 125 CA CYS A 9 13.506 -0.114 5.894 1.00 0.00 C ATOM 126 C CYS A 9 12.556 -1.283 5.619 1.00 0.00 C ATOM 127 O CYS A 9 12.924 -2.444 5.799 1.00 0.00 O ATOM 128 CB CYS A 9 14.702 -0.175 4.940 1.00 0.00 C ATOM 129 SG CYS A 9 15.934 -1.425 5.375 1.00 0.00 S ATOM 0 H CYS A 9 14.398 -1.066 7.525 1.00 0.00 H new ATOM 0 HA CYS A 9 12.987 0.831 5.730 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.339 -0.375 3.932 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.185 0.802 4.917 1.00 0.00 H new ATOM 0 HG CYS A 9 16.903 -1.399 4.509 1.00 0.00 H new ATOM 135 N VAL A 10 11.331 -0.973 5.215 1.00 0.00 N ATOM 136 CA VAL A 10 10.323 -2.002 4.951 1.00 0.00 C ATOM 137 C VAL A 10 10.017 -2.130 3.464 1.00 0.00 C ATOM 138 O VAL A 10 10.135 -1.176 2.706 1.00 0.00 O ATOM 139 CB VAL A 10 9.002 -1.696 5.702 1.00 0.00 C ATOM 140 CG1 VAL A 10 7.924 -1.184 4.754 1.00 0.00 C ATOM 141 CG2 VAL A 10 8.512 -2.919 6.457 1.00 0.00 C ATOM 0 H VAL A 10 11.007 -0.018 5.062 1.00 0.00 H new ATOM 0 HA VAL A 10 10.743 -2.942 5.309 1.00 0.00 H new ATOM 0 HB VAL A 10 9.212 -0.906 6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.012 -0.980 5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.267 -0.267 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.721 -1.938 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.584 -2.679 6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.335 -3.733 5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.265 -3.224 7.184 1.00 0.00 H new ATOM 151 N VAL A 11 9.602 -3.319 3.061 1.00 0.00 N ATOM 152 CA VAL A 11 9.260 -3.572 1.675 1.00 0.00 C ATOM 153 C VAL A 11 7.867 -4.185 1.567 1.00 0.00 C ATOM 154 O VAL A 11 7.492 -5.046 2.364 1.00 0.00 O ATOM 155 CB VAL A 11 10.304 -4.485 1.021 1.00 0.00 C ATOM 156 CG1 VAL A 11 10.558 -5.704 1.885 1.00 0.00 C ATOM 157 CG2 VAL A 11 9.890 -4.882 -0.390 1.00 0.00 C ATOM 0 H VAL A 11 9.494 -4.125 3.677 1.00 0.00 H new ATOM 0 HA VAL A 11 9.256 -2.620 1.144 1.00 0.00 H new ATOM 0 HB VAL A 11 11.237 -3.927 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.301 -6.341 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.926 -5.388 2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.629 -6.261 2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.652 -5.529 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.940 -5.414 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.782 -3.987 -1.003 1.00 0.00 H new ATOM 167 N VAL A 12 7.091 -3.711 0.597 1.00 0.00 N ATOM 168 CA VAL A 12 5.726 -4.185 0.408 1.00 0.00 C ATOM 169 C VAL A 12 5.562 -5.005 -0.865 1.00 0.00 C ATOM 170 O VAL A 12 5.500 -4.456 -1.963 1.00 0.00 O ATOM 171 CB VAL A 12 4.745 -3.002 0.354 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.620 -2.358 1.723 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.195 -1.982 -0.680 1.00 0.00 C ATOM 0 H VAL A 12 7.386 -2.998 -0.071 1.00 0.00 H new ATOM 0 HA VAL A 12 5.506 -4.826 1.262 1.00 0.00 H new ATOM 0 HB VAL A 12 3.765 -3.377 0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.922 -1.522 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.251 -3.093 2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.596 -1.996 2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.489 -1.152 -0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.185 -1.609 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.235 -2.453 -1.662 1.00 0.00 H new ATOM 183 N GLN A 13 5.459 -6.319 -0.705 1.00 0.00 N ATOM 184 CA GLN A 13 5.265 -7.209 -1.842 1.00 0.00 C ATOM 185 C GLN A 13 3.774 -7.408 -2.092 1.00 0.00 C ATOM 186 O GLN A 13 3.097 -8.098 -1.329 1.00 0.00 O ATOM 187 CB GLN A 13 5.941 -8.558 -1.587 1.00 0.00 C ATOM 188 CG GLN A 13 6.355 -9.281 -2.858 1.00 0.00 C ATOM 189 CD GLN A 13 7.448 -10.304 -2.616 1.00 0.00 C ATOM 190 OE1 GLN A 13 7.197 -11.381 -2.075 1.00 0.00 O ATOM 191 NE2 GLN A 13 8.670 -9.972 -3.017 1.00 0.00 N ATOM 0 H GLN A 13 5.506 -6.790 0.198 1.00 0.00 H new ATOM 0 HA GLN A 13 5.719 -6.757 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.822 -8.402 -0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.260 -9.195 -1.022 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.486 -9.778 -3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.701 -8.552 -3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.833 -9.068 -3.461 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.445 -10.621 -2.881 1.00 0.00 H new ATOM 200 N ASN A 14 3.262 -6.788 -3.150 1.00 0.00 N ATOM 201 CA ASN A 14 1.842 -6.890 -3.477 1.00 0.00 C ATOM 202 C ASN A 14 1.586 -7.962 -4.527 1.00 0.00 C ATOM 203 O ASN A 14 2.396 -8.171 -5.432 1.00 0.00 O ATOM 204 CB ASN A 14 1.295 -5.547 -3.976 1.00 0.00 C ATOM 205 CG ASN A 14 2.074 -4.357 -3.450 1.00 0.00 C ATOM 206 OD1 ASN A 14 2.191 -4.161 -2.240 1.00 0.00 O ATOM 207 ND2 ASN A 14 2.612 -3.556 -4.362 1.00 0.00 N ATOM 0 H ASN A 14 3.805 -6.212 -3.794 1.00 0.00 H new ATOM 0 HA ASN A 14 1.324 -7.170 -2.560 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.316 -5.535 -5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.251 -5.452 -3.676 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.148 -2.739 -4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.489 -3.758 -5.354 1.00 0.00 H new ATOM 214 N ARG A 15 0.445 -8.629 -4.402 1.00 0.00 N ATOM 215 CA ARG A 15 0.056 -9.674 -5.339 1.00 0.00 C ATOM 216 C ARG A 15 -1.460 -9.693 -5.510 1.00 0.00 C ATOM 217 O ARG A 15 -2.065 -10.753 -5.666 1.00 0.00 O ATOM 218 CB ARG A 15 0.544 -11.039 -4.850 1.00 0.00 C ATOM 219 CG ARG A 15 2.030 -11.272 -5.077 1.00 0.00 C ATOM 220 CD ARG A 15 2.280 -12.462 -5.989 1.00 0.00 C ATOM 221 NE ARG A 15 3.652 -12.953 -5.886 1.00 0.00 N ATOM 222 CZ ARG A 15 4.239 -13.716 -6.806 1.00 0.00 C ATOM 223 NH1 ARG A 15 3.577 -14.079 -7.898 1.00 0.00 N ATOM 224 NH2 ARG A 15 5.492 -14.116 -6.632 1.00 0.00 N ATOM 0 H ARG A 15 -0.230 -8.463 -3.656 1.00 0.00 H new ATOM 0 HA ARG A 15 0.518 -9.462 -6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.329 -11.132 -3.786 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.020 -11.821 -5.359 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.476 -10.379 -5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.523 -11.438 -4.119 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.588 -13.265 -5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.073 -12.178 -7.021 1.00 0.00 H new ATOM 0 HE ARG A 15 4.193 -12.696 -5.060 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.614 -13.773 -8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.032 -14.664 -8.599 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.004 -13.839 -5.794 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.943 -14.701 -7.336 1.00 0.00 H new ATOM 238 N ILE A 16 -2.066 -8.510 -5.469 1.00 0.00 N ATOM 239 CA ILE A 16 -3.512 -8.383 -5.609 1.00 0.00 C ATOM 240 C ILE A 16 -3.897 -7.941 -7.017 1.00 0.00 C ATOM 241 O ILE A 16 -4.705 -8.591 -7.680 1.00 0.00 O ATOM 242 CB ILE A 16 -4.089 -7.377 -4.590 1.00 0.00 C ATOM 243 CG1 ILE A 16 -3.594 -7.702 -3.180 1.00 0.00 C ATOM 244 CG2 ILE A 16 -5.608 -7.386 -4.636 1.00 0.00 C ATOM 245 CD1 ILE A 16 -3.280 -6.474 -2.352 1.00 0.00 C ATOM 0 H ILE A 16 -1.577 -7.624 -5.340 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.934 -9.369 -5.416 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.742 -6.378 -4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.351 -8.294 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.700 -8.321 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.998 -6.671 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.943 -7.109 -5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.973 -8.384 -4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.935 -6.780 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.501 -5.892 -2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.178 -5.865 -2.250 1.00 0.00 H new ATOM 257 N LYS A 17 -3.323 -6.829 -7.466 1.00 0.00 N ATOM 258 CA LYS A 17 -3.618 -6.303 -8.795 1.00 0.00 C ATOM 259 C LYS A 17 -2.446 -5.474 -9.333 1.00 0.00 C ATOM 260 O LYS A 17 -1.492 -6.025 -9.881 1.00 0.00 O ATOM 261 CB LYS A 17 -4.907 -5.470 -8.754 1.00 0.00 C ATOM 262 CG LYS A 17 -5.112 -4.717 -7.450 1.00 0.00 C ATOM 263 CD LYS A 17 -6.192 -3.657 -7.584 1.00 0.00 C ATOM 264 CE LYS A 17 -5.598 -2.294 -7.900 1.00 0.00 C ATOM 265 NZ LYS A 17 -6.518 -1.184 -7.521 1.00 0.00 N ATOM 0 H LYS A 17 -2.653 -6.276 -6.931 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.765 -7.142 -9.475 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.892 -4.755 -9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.759 -6.129 -8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.385 -5.419 -6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.176 -4.248 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.888 -3.943 -8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.764 -3.600 -6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.653 -2.179 -7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.376 -2.233 -8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.982 -0.442 -7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.953 -0.786 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.262 -1.549 -6.892 1.00 0.00 H new ATOM 279 N GLU A 18 -2.519 -4.153 -9.174 1.00 0.00 N ATOM 280 CA GLU A 18 -1.467 -3.255 -9.637 1.00 0.00 C ATOM 281 C GLU A 18 -1.196 -2.188 -8.585 1.00 0.00 C ATOM 282 O GLU A 18 -1.176 -0.993 -8.882 1.00 0.00 O ATOM 283 CB GLU A 18 -1.872 -2.604 -10.963 1.00 0.00 C ATOM 284 CG GLU A 18 -1.936 -3.583 -12.125 1.00 0.00 C ATOM 285 CD GLU A 18 -1.221 -3.071 -13.360 1.00 0.00 C ATOM 286 OE1 GLU A 18 -1.669 -2.050 -13.925 1.00 0.00 O ATOM 287 OE2 GLU A 18 -0.214 -3.690 -13.764 1.00 0.00 O ATOM 0 H GLU A 18 -3.303 -3.680 -8.724 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.555 -3.831 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.846 -2.130 -10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.161 -1.814 -11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.493 -4.531 -11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.979 -3.782 -12.370 1.00 0.00 H new ATOM 294 N GLY A 19 -0.995 -2.635 -7.350 1.00 0.00 N ATOM 295 CA GLY A 19 -0.734 -1.717 -6.260 1.00 0.00 C ATOM 296 C GLY A 19 -1.851 -1.711 -5.237 1.00 0.00 C ATOM 297 O GLY A 19 -1.656 -2.124 -4.095 1.00 0.00 O ATOM 0 H GLY A 19 -1.009 -3.620 -7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.201 -1.991 -5.772 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.603 -0.711 -6.658 1.00 0.00 H new ATOM 301 N TYR A 20 -3.023 -1.234 -5.655 1.00 0.00 N ATOM 302 CA TYR A 20 -4.197 -1.159 -4.786 1.00 0.00 C ATOM 303 C TYR A 20 -4.139 0.048 -3.871 1.00 0.00 C ATOM 304 O TYR A 20 -5.171 0.479 -3.356 1.00 0.00 O ATOM 305 CB TYR A 20 -4.359 -2.447 -3.966 1.00 0.00 C ATOM 306 CG TYR A 20 -5.654 -2.514 -3.191 1.00 0.00 C ATOM 307 CD1 TYR A 20 -6.875 -2.602 -3.845 1.00 0.00 C ATOM 308 CD2 TYR A 20 -5.654 -2.492 -1.802 1.00 0.00 C ATOM 309 CE1 TYR A 20 -8.061 -2.664 -3.138 1.00 0.00 C ATOM 310 CE2 TYR A 20 -6.834 -2.553 -1.087 1.00 0.00 C ATOM 311 CZ TYR A 20 -8.035 -2.639 -1.760 1.00 0.00 C ATOM 312 OH TYR A 20 -9.214 -2.699 -1.051 1.00 0.00 O ATOM 0 H TYR A 20 -3.185 -0.890 -6.601 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.069 -1.048 -5.430 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.303 -3.304 -4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.524 -2.532 -3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.899 -2.622 -4.925 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.715 -2.426 -1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.003 -2.732 -3.662 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.817 -2.533 -0.007 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.020 -2.672 -0.091 1.00 0.00 H new ATOM 322 N ARG A 21 -2.944 0.599 -3.664 1.00 0.00 N ATOM 323 CA ARG A 21 -2.787 1.758 -2.798 1.00 0.00 C ATOM 324 C ARG A 21 -1.321 1.980 -2.429 1.00 0.00 C ATOM 325 O ARG A 21 -0.473 1.118 -2.660 1.00 0.00 O ATOM 326 CB ARG A 21 -3.633 1.573 -1.534 1.00 0.00 C ATOM 327 CG ARG A 21 -3.608 0.156 -0.970 1.00 0.00 C ATOM 328 CD ARG A 21 -2.211 -0.446 -0.985 1.00 0.00 C ATOM 329 NE ARG A 21 -1.281 0.301 -0.141 1.00 0.00 N ATOM 330 CZ ARG A 21 0.039 0.133 -0.163 1.00 0.00 C ATOM 331 NH1 ARG A 21 0.589 -0.752 -0.987 1.00 0.00 N ATOM 332 NH2 ARG A 21 0.812 0.851 0.640 1.00 0.00 N ATOM 0 H ARG A 21 -2.077 0.261 -4.083 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.130 2.641 -3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.279 2.264 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.665 1.846 -1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.985 0.167 0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.280 -0.476 -1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.259 -1.480 -0.644 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.836 -0.465 -2.008 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.666 0.992 0.503 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.001 -1.307 -1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.601 -0.877 -1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.395 1.532 1.275 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.824 0.722 0.623 1.00 0.00 H new ATOM 346 N ARG A 22 -1.034 3.144 -1.853 1.00 0.00 N ATOM 347 CA ARG A 22 0.324 3.498 -1.444 1.00 0.00 C ATOM 348 C ARG A 22 0.371 4.949 -0.972 1.00 0.00 C ATOM 349 O ARG A 22 0.341 5.225 0.228 1.00 0.00 O ATOM 350 CB ARG A 22 1.314 3.284 -2.597 1.00 0.00 C ATOM 351 CG ARG A 22 2.698 3.857 -2.334 1.00 0.00 C ATOM 352 CD ARG A 22 3.637 3.621 -3.508 1.00 0.00 C ATOM 353 NE ARG A 22 4.265 4.859 -3.963 1.00 0.00 N ATOM 354 CZ ARG A 22 5.387 4.904 -4.679 1.00 0.00 C ATOM 355 NH1 ARG A 22 6.008 3.781 -5.024 1.00 0.00 N ATOM 356 NH2 ARG A 22 5.890 6.072 -5.050 1.00 0.00 N ATOM 0 H ARG A 22 -1.729 3.864 -1.657 1.00 0.00 H new ATOM 0 HA ARG A 22 0.613 2.848 -0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.405 2.215 -2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.908 3.739 -3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.618 4.927 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.116 3.401 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.409 2.908 -3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.082 3.172 -4.332 1.00 0.00 H new ATOM 0 HE ARG A 22 3.817 5.742 -3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.626 2.879 -4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.867 3.821 -5.572 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.418 6.937 -4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.749 6.106 -5.598 1.00 0.00 H new ATOM 370 N ALA A 23 0.431 5.871 -1.926 1.00 0.00 N ATOM 371 CA ALA A 23 0.466 7.295 -1.616 1.00 0.00 C ATOM 372 C ALA A 23 -0.873 7.951 -1.938 1.00 0.00 C ATOM 373 O ALA A 23 -0.964 9.171 -2.066 1.00 0.00 O ATOM 374 CB ALA A 23 1.583 7.976 -2.394 1.00 0.00 C ATOM 0 H ALA A 23 0.456 5.657 -2.923 1.00 0.00 H new ATOM 0 HA ALA A 23 0.658 7.408 -0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.598 9.039 -2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.540 7.529 -2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.412 7.848 -3.463 1.00 0.00 H new ATOM 380 N GLY A 24 -1.908 7.128 -2.081 1.00 0.00 N ATOM 381 CA GLY A 24 -3.226 7.639 -2.401 1.00 0.00 C ATOM 382 C GLY A 24 -3.629 7.301 -3.822 1.00 0.00 C ATOM 383 O GLY A 24 -4.422 8.011 -4.440 1.00 0.00 O ATOM 0 H GLY A 24 -1.855 6.114 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.956 7.222 -1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.239 8.721 -2.267 1.00 0.00 H new ATOM 387 N PHE A 25 -3.067 6.213 -4.339 1.00 0.00 N ATOM 388 CA PHE A 25 -3.352 5.769 -5.697 1.00 0.00 C ATOM 389 C PHE A 25 -2.871 4.335 -5.899 1.00 0.00 C ATOM 390 O PHE A 25 -1.944 3.884 -5.226 1.00 0.00 O ATOM 391 CB PHE A 25 -2.678 6.705 -6.707 1.00 0.00 C ATOM 392 CG PHE A 25 -1.205 6.450 -6.891 1.00 0.00 C ATOM 393 CD1 PHE A 25 -0.383 6.227 -5.797 1.00 0.00 C ATOM 394 CD2 PHE A 25 -0.646 6.435 -8.158 1.00 0.00 C ATOM 395 CE1 PHE A 25 0.968 5.994 -5.965 1.00 0.00 C ATOM 396 CE2 PHE A 25 0.705 6.202 -8.332 1.00 0.00 C ATOM 397 CZ PHE A 25 1.513 5.981 -7.235 1.00 0.00 C ATOM 0 H PHE A 25 -2.408 5.620 -3.834 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.430 5.797 -5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.177 6.603 -7.671 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.820 7.736 -6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.804 6.236 -4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.273 6.607 -9.020 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.598 5.822 -5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.128 6.193 -9.326 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.569 5.798 -7.369 1.00 0.00 H new ATOM 407 N SER A 26 -3.499 3.620 -6.827 1.00 0.00 N ATOM 408 CA SER A 26 -3.116 2.241 -7.105 1.00 0.00 C ATOM 409 C SER A 26 -1.644 2.160 -7.493 1.00 0.00 C ATOM 410 O SER A 26 -1.272 2.450 -8.630 1.00 0.00 O ATOM 411 CB SER A 26 -3.994 1.649 -8.209 1.00 0.00 C ATOM 412 OG SER A 26 -4.752 2.656 -8.857 1.00 0.00 O ATOM 0 H SER A 26 -4.270 3.970 -7.396 1.00 0.00 H new ATOM 0 HA SER A 26 -3.265 1.657 -6.197 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.368 1.135 -8.939 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.665 0.903 -7.783 1.00 0.00 H new ATOM 0 HG SER A 26 -5.303 2.250 -9.559 1.00 0.00 H new ATOM 418 N PHE A 27 -0.813 1.774 -6.530 1.00 0.00 N ATOM 419 CA PHE A 27 0.625 1.658 -6.744 1.00 0.00 C ATOM 420 C PHE A 27 0.934 0.723 -7.924 1.00 0.00 C ATOM 421 O PHE A 27 0.703 1.088 -9.075 1.00 0.00 O ATOM 422 CB PHE A 27 1.295 1.181 -5.448 1.00 0.00 C ATOM 423 CG PHE A 27 2.780 0.965 -5.550 1.00 0.00 C ATOM 424 CD1 PHE A 27 3.534 1.615 -6.516 1.00 0.00 C ATOM 425 CD2 PHE A 27 3.422 0.106 -4.671 1.00 0.00 C ATOM 426 CE1 PHE A 27 4.898 1.410 -6.602 1.00 0.00 C ATOM 427 CE2 PHE A 27 4.785 -0.102 -4.754 1.00 0.00 C ATOM 428 CZ PHE A 27 5.525 0.550 -5.721 1.00 0.00 C ATOM 0 H PHE A 27 -1.115 1.534 -5.586 1.00 0.00 H new ATOM 0 HA PHE A 27 1.031 2.636 -7.004 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.101 1.913 -4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.827 0.248 -5.135 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.050 2.288 -7.208 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.849 -0.407 -3.912 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.474 1.922 -7.358 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.272 -0.774 -4.063 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.591 0.388 -5.788 1.00 0.00 H new ATOM 438 N HIS A 28 1.442 -0.480 -7.642 1.00 0.00 N ATOM 439 CA HIS A 28 1.764 -1.441 -8.697 1.00 0.00 C ATOM 440 C HIS A 28 1.939 -2.838 -8.118 1.00 0.00 C ATOM 441 O HIS A 28 2.007 -3.014 -6.902 1.00 0.00 O ATOM 442 CB HIS A 28 3.048 -1.043 -9.425 1.00 0.00 C ATOM 443 CG HIS A 28 2.988 0.303 -10.078 1.00 0.00 C ATOM 444 ND1 HIS A 28 2.164 0.586 -11.147 1.00 0.00 N ATOM 445 CD2 HIS A 28 3.657 1.449 -9.809 1.00 0.00 C ATOM 446 CE1 HIS A 28 2.329 1.846 -11.508 1.00 0.00 C ATOM 447 NE2 HIS A 28 3.228 2.392 -10.711 1.00 0.00 N ATOM 0 H HIS A 28 1.638 -0.809 -6.697 1.00 0.00 H new ATOM 0 HA HIS A 28 0.934 -1.441 -9.403 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.874 -1.054 -8.714 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.270 -1.793 -10.184 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.391 1.595 -9.030 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.816 2.344 -12.317 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.552 3.358 -10.757 1.00 0.00 H new ATOM 456 N LEU A 29 2.030 -3.832 -8.998 1.00 0.00 N ATOM 457 CA LEU A 29 2.219 -5.208 -8.566 1.00 0.00 C ATOM 458 C LEU A 29 3.702 -5.543 -8.493 1.00 0.00 C ATOM 459 O LEU A 29 4.369 -5.695 -9.517 1.00 0.00 O ATOM 460 CB LEU A 29 1.512 -6.177 -9.511 1.00 0.00 C ATOM 461 CG LEU A 29 1.042 -7.477 -8.858 1.00 0.00 C ATOM 462 CD1 LEU A 29 2.231 -8.352 -8.494 1.00 0.00 C ATOM 463 CD2 LEU A 29 0.201 -7.180 -7.624 1.00 0.00 C ATOM 0 H LEU A 29 1.976 -3.708 -10.009 1.00 0.00 H new ATOM 0 HA LEU A 29 1.783 -5.313 -7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.650 -5.673 -9.948 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.187 -6.422 -10.331 1.00 0.00 H new ATOM 0 HG LEU A 29 0.424 -8.018 -9.575 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.877 -9.273 -8.030 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.795 -8.593 -9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.875 -7.818 -7.795 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.125 -8.117 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.796 -6.618 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.671 -6.593 -7.911 1.00 0.00 H new ATOM 475 N GLY A 30 4.208 -5.649 -7.275 1.00 0.00 N ATOM 476 CA GLY A 30 5.610 -5.957 -7.073 1.00 0.00 C ATOM 477 C GLY A 30 6.052 -5.702 -5.647 1.00 0.00 C ATOM 478 O GLY A 30 5.299 -5.953 -4.707 1.00 0.00 O ATOM 0 H GLY A 30 3.670 -5.527 -6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.791 -7.002 -7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.214 -5.355 -7.752 1.00 0.00 H new ATOM 482 N ASP A 31 7.271 -5.203 -5.485 1.00 0.00 N ATOM 483 CA ASP A 31 7.803 -4.916 -4.157 1.00 0.00 C ATOM 484 C ASP A 31 8.662 -3.656 -4.164 1.00 0.00 C ATOM 485 O ASP A 31 9.544 -3.497 -5.008 1.00 0.00 O ATOM 486 CB ASP A 31 8.624 -6.103 -3.644 1.00 0.00 C ATOM 487 CG ASP A 31 9.558 -6.662 -4.699 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.621 -6.049 -4.937 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.229 -7.713 -5.287 1.00 0.00 O ATOM 0 H ASP A 31 7.908 -4.989 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 31 6.958 -4.749 -3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.206 -5.790 -2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.949 -6.890 -3.308 1.00 0.00 H new ATOM 494 N ASN A 32 8.404 -2.767 -3.209 1.00 0.00 N ATOM 495 CA ASN A 32 9.159 -1.525 -3.094 1.00 0.00 C ATOM 496 C ASN A 32 9.769 -1.411 -1.704 1.00 0.00 C ATOM 497 O ASN A 32 9.123 -1.737 -0.712 1.00 0.00 O ATOM 498 CB ASN A 32 8.257 -0.321 -3.376 1.00 0.00 C ATOM 499 CG ASN A 32 8.915 0.690 -4.293 1.00 0.00 C ATOM 500 OD1 ASN A 32 10.081 0.545 -4.662 1.00 0.00 O ATOM 501 ND2 ASN A 32 8.169 1.723 -4.668 1.00 0.00 N ATOM 0 H ASN A 32 7.677 -2.885 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 32 9.961 -1.536 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.326 -0.665 -3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.995 0.162 -2.435 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.558 2.435 -5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.207 1.804 -4.338 1.00 0.00 H new ATOM 508 N SER A 33 11.017 -0.958 -1.634 1.00 0.00 N ATOM 509 CA SER A 33 11.700 -0.823 -0.353 1.00 0.00 C ATOM 510 C SER A 33 11.416 0.525 0.291 1.00 0.00 C ATOM 511 O SER A 33 11.285 1.544 -0.387 1.00 0.00 O ATOM 512 CB SER A 33 13.208 -0.996 -0.521 1.00 0.00 C ATOM 513 OG SER A 33 13.632 -0.582 -1.808 1.00 0.00 O ATOM 0 H SER A 33 11.572 -0.680 -2.443 1.00 0.00 H new ATOM 0 HA SER A 33 11.317 -1.608 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.730 -0.416 0.240 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.476 -2.041 -0.366 1.00 0.00 H new ATOM 0 HG SER A 33 14.601 -0.702 -1.887 1.00 0.00 H new ATOM 519 N LEU A 34 11.332 0.511 1.611 1.00 0.00 N ATOM 520 CA LEU A 34 11.072 1.716 2.386 1.00 0.00 C ATOM 521 C LEU A 34 12.385 2.234 2.991 1.00 0.00 C ATOM 522 O LEU A 34 13.310 1.462 3.241 1.00 0.00 O ATOM 523 CB LEU A 34 10.010 1.409 3.464 1.00 0.00 C ATOM 524 CG LEU A 34 9.754 2.484 4.510 1.00 0.00 C ATOM 525 CD1 LEU A 34 10.845 2.426 5.554 1.00 0.00 C ATOM 526 CD2 LEU A 34 9.650 3.868 3.883 1.00 0.00 C ATOM 0 H LEU A 34 11.441 -0.332 2.175 1.00 0.00 H new ATOM 0 HA LEU A 34 10.676 2.504 1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.067 1.196 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.307 0.497 3.982 1.00 0.00 H new ATOM 0 HG LEU A 34 8.793 2.292 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.669 3.194 6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.843 1.445 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.811 2.598 5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.467 4.608 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.581 4.105 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.827 3.883 3.168 1.00 0.00 H new ATOM 538 N ALA A 35 12.466 3.547 3.194 1.00 0.00 N ATOM 539 CA ALA A 35 13.657 4.195 3.729 1.00 0.00 C ATOM 540 C ALA A 35 13.887 3.885 5.202 1.00 0.00 C ATOM 541 O ALA A 35 12.973 3.540 5.937 1.00 0.00 O ATOM 542 CB ALA A 35 13.553 5.693 3.537 1.00 0.00 C ATOM 0 H ALA A 35 11.703 4.193 2.991 1.00 0.00 H new ATOM 0 HA ALA A 35 14.510 3.798 3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.445 6.174 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.466 5.918 2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.673 6.067 4.060 1.00 0.00 H new ATOM 548 N ALA A 36 15.128 4.013 5.623 1.00 0.00 N ATOM 549 CA ALA A 36 15.491 3.734 7.004 1.00 0.00 C ATOM 550 C ALA A 36 14.946 4.812 7.940 1.00 0.00 C ATOM 551 O ALA A 36 15.458 5.929 7.994 1.00 0.00 O ATOM 552 CB ALA A 36 17.005 3.634 7.127 1.00 0.00 C ATOM 0 H ALA A 36 15.905 4.308 5.032 1.00 0.00 H new ATOM 0 HA ALA A 36 15.047 2.783 7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.273 3.425 8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.370 2.829 6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.458 4.576 6.818 1.00 0.00 H new ATOM 558 N VAL A 37 13.886 4.453 8.669 1.00 0.00 N ATOM 559 CA VAL A 37 13.232 5.368 9.605 1.00 0.00 C ATOM 560 C VAL A 37 13.195 4.774 11.016 1.00 0.00 C ATOM 561 O VAL A 37 13.810 3.746 11.280 1.00 0.00 O ATOM 562 CB VAL A 37 11.787 5.694 9.153 1.00 0.00 C ATOM 563 CG1 VAL A 37 11.688 5.742 7.635 1.00 0.00 C ATOM 564 CG2 VAL A 37 10.804 4.677 9.715 1.00 0.00 C ATOM 0 H VAL A 37 13.460 3.527 8.627 1.00 0.00 H new ATOM 0 HA VAL A 37 13.817 6.288 9.617 1.00 0.00 H new ATOM 0 HB VAL A 37 11.529 6.678 9.544 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.663 5.973 7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.356 6.513 7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.974 4.775 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.795 4.925 9.385 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.068 3.681 9.359 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.844 4.695 10.804 1.00 0.00 H new ATOM 574 N SER A 38 12.463 5.422 11.919 1.00 0.00 N ATOM 575 CA SER A 38 12.354 4.947 13.298 1.00 0.00 C ATOM 576 C SER A 38 11.247 3.900 13.460 1.00 0.00 C ATOM 577 O SER A 38 10.494 3.931 14.433 1.00 0.00 O ATOM 578 CB SER A 38 12.093 6.124 14.238 1.00 0.00 C ATOM 579 OG SER A 38 11.277 7.103 13.619 1.00 0.00 O ATOM 0 H SER A 38 11.938 6.274 11.723 1.00 0.00 H new ATOM 0 HA SER A 38 13.300 4.471 13.555 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.610 5.766 15.147 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.041 6.572 14.536 1.00 0.00 H new ATOM 0 HG SER A 38 11.810 7.905 13.437 1.00 0.00 H new ATOM 585 N GLU A 39 11.162 2.961 12.512 1.00 0.00 N ATOM 586 CA GLU A 39 10.158 1.890 12.562 1.00 0.00 C ATOM 587 C GLU A 39 8.777 2.358 12.098 1.00 0.00 C ATOM 588 O GLU A 39 7.917 1.531 11.793 1.00 0.00 O ATOM 589 CB GLU A 39 10.063 1.303 13.973 1.00 0.00 C ATOM 590 CG GLU A 39 9.997 -0.215 13.991 1.00 0.00 C ATOM 591 CD GLU A 39 8.740 -0.738 14.658 1.00 0.00 C ATOM 592 OE1 GLU A 39 7.635 -0.419 14.173 1.00 0.00 O ATOM 593 OE2 GLU A 39 8.862 -1.467 15.665 1.00 0.00 O ATOM 0 H GLU A 39 11.777 2.920 11.699 1.00 0.00 H new ATOM 0 HA GLU A 39 10.491 1.117 11.869 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.926 1.629 14.553 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.178 1.704 14.467 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.043 -0.589 12.968 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.870 -0.606 14.513 1.00 0.00 H new ATOM 600 N SER A 40 8.558 3.673 12.042 1.00 0.00 N ATOM 601 CA SER A 40 7.268 4.212 11.606 1.00 0.00 C ATOM 602 C SER A 40 6.775 3.482 10.360 1.00 0.00 C ATOM 603 O SER A 40 5.577 3.275 10.177 1.00 0.00 O ATOM 604 CB SER A 40 7.388 5.710 11.322 1.00 0.00 C ATOM 605 OG SER A 40 7.465 6.453 12.527 1.00 0.00 O ATOM 0 H SER A 40 9.250 4.379 12.291 1.00 0.00 H new ATOM 0 HA SER A 40 6.545 4.061 12.407 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.275 5.899 10.717 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.529 6.043 10.740 1.00 0.00 H new ATOM 0 HG SER A 40 7.543 7.407 12.318 1.00 0.00 H new ATOM 611 N GLN A 41 7.720 3.088 9.516 1.00 0.00 N ATOM 612 CA GLN A 41 7.413 2.367 8.283 1.00 0.00 C ATOM 613 C GLN A 41 6.633 1.092 8.569 1.00 0.00 C ATOM 614 O GLN A 41 5.663 0.773 7.881 1.00 0.00 O ATOM 615 CB GLN A 41 8.695 2.012 7.525 1.00 0.00 C ATOM 616 CG GLN A 41 9.907 1.714 8.407 1.00 0.00 C ATOM 617 CD GLN A 41 10.215 0.234 8.521 1.00 0.00 C ATOM 618 OE1 GLN A 41 10.729 -0.378 7.589 1.00 0.00 O ATOM 619 NE2 GLN A 41 9.926 -0.346 9.681 1.00 0.00 N ATOM 0 H GLN A 41 8.715 3.257 9.663 1.00 0.00 H new ATOM 0 HA GLN A 41 6.801 3.027 7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.499 1.143 6.898 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.945 2.837 6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.778 2.229 8.002 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.731 2.119 9.403 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.499 0.198 10.431 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.131 -1.335 9.822 1.00 0.00 H new ATOM 628 N LEU A 42 7.074 0.362 9.582 1.00 0.00 N ATOM 629 CA LEU A 42 6.432 -0.891 9.962 1.00 0.00 C ATOM 630 C LEU A 42 4.954 -0.682 10.262 1.00 0.00 C ATOM 631 O LEU A 42 4.094 -1.338 9.676 1.00 0.00 O ATOM 632 CB LEU A 42 7.141 -1.491 11.184 1.00 0.00 C ATOM 633 CG LEU A 42 6.335 -2.533 11.968 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.015 -3.733 11.091 1.00 0.00 C ATOM 635 CD2 LEU A 42 7.088 -2.964 13.219 1.00 0.00 C ATOM 0 H LEU A 42 7.876 0.615 10.159 1.00 0.00 H new ATOM 0 HA LEU A 42 6.510 -1.584 9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.072 -1.951 10.853 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.410 -0.680 11.861 1.00 0.00 H new ATOM 0 HG LEU A 42 5.395 -2.077 12.277 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.443 -4.461 11.666 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.430 -3.409 10.230 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.943 -4.190 10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.499 -3.704 13.761 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.046 -3.400 12.935 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.259 -2.097 13.858 1.00 0.00 H new ATOM 647 N ALA A 43 4.667 0.226 11.181 1.00 0.00 N ATOM 648 CA ALA A 43 3.291 0.507 11.560 1.00 0.00 C ATOM 649 C ALA A 43 2.581 1.352 10.507 1.00 0.00 C ATOM 650 O ALA A 43 1.357 1.300 10.380 1.00 0.00 O ATOM 651 CB ALA A 43 3.252 1.198 12.908 1.00 0.00 C ATOM 0 H ALA A 43 5.366 0.779 11.677 1.00 0.00 H new ATOM 0 HA ALA A 43 2.762 -0.443 11.631 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.217 1.404 13.182 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.705 0.553 13.661 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.806 2.135 12.853 1.00 0.00 H new ATOM 657 N GLN A 44 3.352 2.129 9.753 1.00 0.00 N ATOM 658 CA GLN A 44 2.783 2.976 8.714 1.00 0.00 C ATOM 659 C GLN A 44 2.095 2.130 7.650 1.00 0.00 C ATOM 660 O GLN A 44 0.951 2.393 7.277 1.00 0.00 O ATOM 661 CB GLN A 44 3.871 3.842 8.074 1.00 0.00 C ATOM 662 CG GLN A 44 3.364 4.717 6.937 1.00 0.00 C ATOM 663 CD GLN A 44 3.753 6.173 7.101 1.00 0.00 C ATOM 664 OE1 GLN A 44 2.952 7.073 6.845 1.00 0.00 O ATOM 665 NE2 GLN A 44 4.986 6.413 7.528 1.00 0.00 N ATOM 0 H GLN A 44 4.366 2.189 9.842 1.00 0.00 H new ATOM 0 HA GLN A 44 2.041 3.628 9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.315 4.478 8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.664 3.195 7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.760 4.344 5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.278 4.639 6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.617 5.637 7.728 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.303 7.374 7.656 1.00 0.00 H new ATOM 674 N LEU A 45 2.799 1.113 7.165 1.00 0.00 N ATOM 675 CA LEU A 45 2.252 0.230 6.144 1.00 0.00 C ATOM 676 C LEU A 45 1.300 -0.794 6.751 1.00 0.00 C ATOM 677 O LEU A 45 0.202 -1.016 6.241 1.00 0.00 O ATOM 678 CB LEU A 45 3.381 -0.470 5.392 1.00 0.00 C ATOM 679 CG LEU A 45 3.905 0.300 4.181 1.00 0.00 C ATOM 680 CD1 LEU A 45 5.255 -0.237 3.738 1.00 0.00 C ATOM 681 CD2 LEU A 45 2.898 0.243 3.046 1.00 0.00 C ATOM 0 H LEU A 45 3.747 0.881 7.462 1.00 0.00 H new ATOM 0 HA LEU A 45 1.683 0.838 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.207 -0.644 6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.030 -1.448 5.062 1.00 0.00 H new ATOM 0 HG LEU A 45 4.042 1.343 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.606 0.328 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.972 -0.137 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.158 -1.289 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.284 0.796 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.729 -0.796 2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.958 0.688 3.371 1.00 0.00 H new ATOM 692 N LYS A 46 1.728 -1.413 7.845 1.00 0.00 N ATOM 693 CA LYS A 46 0.917 -2.417 8.529 1.00 0.00 C ATOM 694 C LYS A 46 -0.462 -1.865 8.893 1.00 0.00 C ATOM 695 O LYS A 46 -1.409 -2.625 9.092 1.00 0.00 O ATOM 696 CB LYS A 46 1.626 -2.906 9.793 1.00 0.00 C ATOM 697 CG LYS A 46 1.103 -4.238 10.308 1.00 0.00 C ATOM 698 CD LYS A 46 2.228 -5.106 10.850 1.00 0.00 C ATOM 699 CE LYS A 46 1.799 -5.863 12.097 1.00 0.00 C ATOM 700 NZ LYS A 46 1.644 -7.320 11.837 1.00 0.00 N ATOM 0 H LYS A 46 2.634 -1.238 8.279 1.00 0.00 H new ATOM 0 HA LYS A 46 0.783 -3.254 7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.693 -2.999 9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.515 -2.155 10.575 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.367 -4.062 11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.591 -4.765 9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.543 -5.814 10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.091 -4.482 11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.537 -5.712 12.885 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.855 -5.457 12.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.351 -7.800 12.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.922 -7.467 11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.551 -7.713 11.514 1.00 0.00 H new ATOM 714 N ALA A 47 -0.566 -0.540 8.986 1.00 0.00 N ATOM 715 CA ALA A 47 -1.828 0.110 9.333 1.00 0.00 C ATOM 716 C ALA A 47 -2.997 -0.471 8.541 1.00 0.00 C ATOM 717 O ALA A 47 -3.848 -1.167 9.095 1.00 0.00 O ATOM 718 CB ALA A 47 -1.726 1.611 9.100 1.00 0.00 C ATOM 0 H ALA A 47 0.209 0.104 8.826 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.020 -0.077 10.390 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.672 2.085 9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.930 2.022 9.721 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.503 1.802 8.050 1.00 0.00 H new ATOM 724 N ASP A 48 -3.034 -0.181 7.245 1.00 0.00 N ATOM 725 CA ASP A 48 -4.100 -0.676 6.382 1.00 0.00 C ATOM 726 C ASP A 48 -4.064 -2.201 6.293 1.00 0.00 C ATOM 727 O ASP A 48 -3.089 -2.777 5.812 1.00 0.00 O ATOM 728 CB ASP A 48 -3.977 -0.069 4.983 1.00 0.00 C ATOM 729 CG ASP A 48 -4.638 1.292 4.883 1.00 0.00 C ATOM 730 OD1 ASP A 48 -5.477 1.611 5.752 1.00 0.00 O ATOM 731 OD2 ASP A 48 -4.318 2.039 3.935 1.00 0.00 O ATOM 0 H ASP A 48 -2.339 0.394 6.769 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.054 -0.377 6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.923 0.022 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.429 -0.744 4.256 1.00 0.00 H new ATOM 736 N PRO A 49 -5.129 -2.878 6.761 1.00 0.00 N ATOM 737 CA PRO A 49 -5.207 -4.340 6.732 1.00 0.00 C ATOM 738 C PRO A 49 -5.618 -4.877 5.364 1.00 0.00 C ATOM 739 O PRO A 49 -6.801 -5.099 5.105 1.00 0.00 O ATOM 740 CB PRO A 49 -6.284 -4.639 7.771 1.00 0.00 C ATOM 741 CG PRO A 49 -7.200 -3.467 7.702 1.00 0.00 C ATOM 742 CD PRO A 49 -6.339 -2.277 7.358 1.00 0.00 C ATOM 0 HA PRO A 49 -4.245 -4.810 6.936 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.808 -5.567 7.544 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.855 -4.750 8.767 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.971 -3.620 6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.710 -3.316 8.653 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.841 -1.609 6.658 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.098 -1.688 8.243 1.00 0.00 H new ATOM 750 N ARG A 50 -4.634 -5.085 4.496 1.00 0.00 N ATOM 751 CA ARG A 50 -4.893 -5.600 3.156 1.00 0.00 C ATOM 752 C ARG A 50 -3.596 -6.019 2.474 1.00 0.00 C ATOM 753 O ARG A 50 -3.534 -7.065 1.828 1.00 0.00 O ATOM 754 CB ARG A 50 -5.615 -4.548 2.310 1.00 0.00 C ATOM 755 CG ARG A 50 -6.602 -5.142 1.319 1.00 0.00 C ATOM 756 CD ARG A 50 -7.982 -5.303 1.936 1.00 0.00 C ATOM 757 NE ARG A 50 -9.026 -5.418 0.921 1.00 0.00 N ATOM 758 CZ ARG A 50 -10.258 -5.855 1.170 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.605 -6.219 2.398 1.00 0.00 N ATOM 760 NH2 ARG A 50 -11.147 -5.926 0.188 1.00 0.00 N ATOM 0 H ARG A 50 -3.650 -4.905 4.696 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.532 -6.478 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.144 -3.862 2.971 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.875 -3.960 1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.668 -4.500 0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.239 -6.112 0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.994 -6.189 2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.194 -4.448 2.578 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.797 -5.147 -0.035 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.926 -6.165 3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.551 -6.553 2.583 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.886 -5.646 -0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.091 -6.261 0.378 1.00 0.00 H new ATOM 774 N LEU A 51 -2.559 -5.201 2.626 1.00 0.00 N ATOM 775 CA LEU A 51 -1.261 -5.496 2.028 1.00 0.00 C ATOM 776 C LEU A 51 -0.367 -6.227 3.025 1.00 0.00 C ATOM 777 O LEU A 51 -0.734 -6.407 4.185 1.00 0.00 O ATOM 778 CB LEU A 51 -0.573 -4.211 1.555 1.00 0.00 C ATOM 779 CG LEU A 51 -1.460 -3.217 0.798 1.00 0.00 C ATOM 780 CD1 LEU A 51 -2.329 -3.931 -0.232 1.00 0.00 C ATOM 781 CD2 LEU A 51 -2.320 -2.417 1.767 1.00 0.00 C ATOM 0 H LEU A 51 -2.592 -4.331 3.157 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.428 -6.139 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.154 -3.705 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.263 -4.485 0.912 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.809 -2.524 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.948 -3.201 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.692 -4.447 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.969 -4.656 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.942 -1.717 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.957 -3.096 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.678 -1.864 2.453 1.00 0.00 H new ATOM 793 N VAL A 52 0.807 -6.646 2.565 1.00 0.00 N ATOM 794 CA VAL A 52 1.751 -7.358 3.418 1.00 0.00 C ATOM 795 C VAL A 52 3.035 -6.561 3.607 1.00 0.00 C ATOM 796 O VAL A 52 3.857 -6.461 2.697 1.00 0.00 O ATOM 797 CB VAL A 52 2.113 -8.732 2.829 1.00 0.00 C ATOM 798 CG1 VAL A 52 2.832 -9.595 3.854 1.00 0.00 C ATOM 799 CG2 VAL A 52 0.872 -9.438 2.301 1.00 0.00 C ATOM 0 H VAL A 52 1.127 -6.505 1.607 1.00 0.00 H new ATOM 0 HA VAL A 52 1.259 -7.493 4.381 1.00 0.00 H new ATOM 0 HB VAL A 52 2.793 -8.570 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.076 -10.560 3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.750 -9.098 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.187 -9.746 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.152 -10.408 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.161 -9.581 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.413 -8.831 1.520 1.00 0.00 H new ATOM 809 N VAL A 53 3.203 -6.003 4.798 1.00 0.00 N ATOM 810 CA VAL A 53 4.390 -5.221 5.116 1.00 0.00 C ATOM 811 C VAL A 53 5.393 -6.064 5.894 1.00 0.00 C ATOM 812 O VAL A 53 5.126 -6.502 7.013 1.00 0.00 O ATOM 813 CB VAL A 53 4.033 -3.947 5.915 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.056 -4.263 7.037 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.277 -3.260 6.467 1.00 0.00 C ATOM 0 H VAL A 53 2.531 -6.078 5.561 1.00 0.00 H new ATOM 0 HA VAL A 53 4.842 -4.911 4.173 1.00 0.00 H new ATOM 0 HB VAL A 53 3.552 -3.256 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.822 -3.349 7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.141 -4.679 6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.505 -4.987 7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.984 -2.369 7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.806 -3.944 7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.931 -2.975 5.643 1.00 0.00 H new ATOM 825 N GLN A 54 6.548 -6.288 5.280 1.00 0.00 N ATOM 826 CA GLN A 54 7.606 -7.083 5.895 1.00 0.00 C ATOM 827 C GLN A 54 8.775 -6.199 6.312 1.00 0.00 C ATOM 828 O GLN A 54 9.262 -5.387 5.527 1.00 0.00 O ATOM 829 CB GLN A 54 8.089 -8.166 4.928 1.00 0.00 C ATOM 830 CG GLN A 54 8.581 -9.424 5.622 1.00 0.00 C ATOM 831 CD GLN A 54 7.497 -10.477 5.758 1.00 0.00 C ATOM 832 OE1 GLN A 54 6.334 -10.232 5.438 1.00 0.00 O ATOM 833 NE2 GLN A 54 7.875 -11.656 6.238 1.00 0.00 N ATOM 0 H GLN A 54 6.777 -5.929 4.353 1.00 0.00 H new ATOM 0 HA GLN A 54 7.197 -7.560 6.786 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.274 -8.428 4.253 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.894 -7.761 4.314 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.418 -9.840 5.062 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.957 -9.165 6.612 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.850 -11.815 6.490 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.190 -12.403 6.354 1.00 0.00 H new ATOM 842 N ILE A 55 9.215 -6.359 7.556 1.00 0.00 N ATOM 843 CA ILE A 55 10.320 -5.568 8.084 1.00 0.00 C ATOM 844 C ILE A 55 11.589 -6.401 8.235 1.00 0.00 C ATOM 845 O ILE A 55 11.708 -7.214 9.151 1.00 0.00 O ATOM 846 CB ILE A 55 9.951 -4.952 9.447 1.00 0.00 C ATOM 847 CG1 ILE A 55 9.581 -6.049 10.450 1.00 0.00 C ATOM 848 CG2 ILE A 55 8.807 -3.964 9.284 1.00 0.00 C ATOM 849 CD1 ILE A 55 10.549 -6.159 11.608 1.00 0.00 C ATOM 0 H ILE A 55 8.823 -7.030 8.217 1.00 0.00 H new ATOM 0 HA ILE A 55 10.512 -4.771 7.365 1.00 0.00 H new ATOM 0 HB ILE A 55 10.818 -4.416 9.834 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.582 -5.853 10.839 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.538 -7.006 9.930 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.555 -3.535 10.254 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.108 -3.168 8.603 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.936 -4.479 8.878 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.225 -6.955 12.278 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.545 -6.386 11.229 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.574 -5.215 12.152 1.00 0.00 H new ATOM 861 N THR A 56 12.539 -6.181 7.330 1.00 0.00 N ATOM 862 CA THR A 56 13.809 -6.899 7.359 1.00 0.00 C ATOM 863 C THR A 56 14.981 -5.923 7.437 1.00 0.00 C ATOM 864 O THR A 56 15.335 -5.286 6.445 1.00 0.00 O ATOM 865 CB THR A 56 13.947 -7.784 6.119 1.00 0.00 C ATOM 866 OG1 THR A 56 12.675 -8.091 5.579 1.00 0.00 O ATOM 867 CG2 THR A 56 14.658 -9.091 6.395 1.00 0.00 C ATOM 0 H THR A 56 12.453 -5.510 6.567 1.00 0.00 H new ATOM 0 HA THR A 56 13.823 -7.529 8.248 1.00 0.00 H new ATOM 0 HB THR A 56 14.545 -7.206 5.415 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.784 -8.656 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.723 -9.671 5.475 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.662 -8.887 6.767 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.102 -9.657 7.142 1.00 0.00 H new ATOM 875 N GLU A 57 15.579 -5.813 8.617 1.00 0.00 N ATOM 876 CA GLU A 57 16.714 -4.915 8.817 1.00 0.00 C ATOM 877 C GLU A 57 17.889 -5.651 9.456 1.00 0.00 C ATOM 878 O GLU A 57 18.288 -5.349 10.581 1.00 0.00 O ATOM 879 CB GLU A 57 16.308 -3.726 9.690 1.00 0.00 C ATOM 880 CG GLU A 57 17.283 -2.562 9.624 1.00 0.00 C ATOM 881 CD GLU A 57 18.046 -2.364 10.919 1.00 0.00 C ATOM 882 OE1 GLU A 57 17.397 -2.244 11.978 1.00 0.00 O ATOM 883 OE2 GLU A 57 19.294 -2.331 10.873 1.00 0.00 O ATOM 0 H GLU A 57 15.299 -6.332 9.449 1.00 0.00 H new ATOM 0 HA GLU A 57 17.027 -4.548 7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.321 -3.380 9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.221 -4.058 10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.991 -2.732 8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.737 -1.649 9.385 1.00 0.00 H new ATOM 890 N THR A 58 18.440 -6.618 8.730 1.00 0.00 N ATOM 891 CA THR A 58 19.570 -7.395 9.226 1.00 0.00 C ATOM 892 C THR A 58 20.388 -7.963 8.071 1.00 0.00 C ATOM 893 O THR A 58 20.861 -9.098 8.130 1.00 0.00 O ATOM 894 CB THR A 58 19.081 -8.530 10.127 1.00 0.00 C ATOM 895 OG1 THR A 58 20.168 -9.329 10.559 1.00 0.00 O ATOM 896 CG2 THR A 58 18.080 -9.443 9.454 1.00 0.00 C ATOM 0 H THR A 58 18.123 -6.882 7.797 1.00 0.00 H new ATOM 0 HA THR A 58 20.208 -6.730 9.807 1.00 0.00 H new ATOM 0 HB THR A 58 18.590 -8.039 10.968 1.00 0.00 H new ATOM 0 HG1 THR A 58 20.690 -9.619 9.782 1.00 0.00 H new ATOM 0 HG21 THR A 58 17.776 -10.225 10.150 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.206 -8.865 9.152 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.536 -9.897 8.574 1.00 0.00 H new ATOM 904 N GLY A 59 20.552 -7.165 7.020 1.00 0.00 N ATOM 905 CA GLY A 59 21.313 -7.604 5.866 1.00 0.00 C ATOM 906 C GLY A 59 22.371 -6.601 5.453 1.00 0.00 C ATOM 907 O GLY A 59 22.496 -5.536 6.058 1.00 0.00 O ATOM 0 H GLY A 59 20.171 -6.222 6.948 1.00 0.00 H new ATOM 0 HA2 GLY A 59 21.790 -8.558 6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 59 20.634 -7.776 5.031 1.00 0.00 H new ATOM 911 N SER A 60 23.135 -6.940 4.419 1.00 0.00 N ATOM 912 CA SER A 60 24.189 -6.063 3.925 1.00 0.00 C ATOM 913 C SER A 60 23.798 -5.427 2.592 1.00 0.00 C ATOM 914 O SER A 60 24.360 -4.407 2.193 1.00 0.00 O ATOM 915 CB SER A 60 25.496 -6.842 3.766 1.00 0.00 C ATOM 916 OG SER A 60 26.518 -6.021 3.227 1.00 0.00 O ATOM 0 H SER A 60 23.043 -7.817 3.907 1.00 0.00 H new ATOM 0 HA SER A 60 24.332 -5.267 4.656 1.00 0.00 H new ATOM 0 HB2 SER A 60 25.811 -7.231 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 60 25.334 -7.701 3.115 1.00 0.00 H new ATOM 0 HG SER A 60 27.343 -6.542 3.137 1.00 0.00 H new ATOM 922 N GLN A 61 22.833 -6.035 1.906 1.00 0.00 N ATOM 923 CA GLN A 61 22.371 -5.527 0.618 1.00 0.00 C ATOM 924 C GLN A 61 23.459 -5.664 -0.443 1.00 0.00 C ATOM 925 O GLN A 61 24.326 -4.802 -0.573 1.00 0.00 O ATOM 926 CB GLN A 61 21.942 -4.061 0.745 1.00 0.00 C ATOM 927 CG GLN A 61 20.459 -3.836 0.497 1.00 0.00 C ATOM 928 CD GLN A 61 20.176 -2.509 -0.177 1.00 0.00 C ATOM 929 OE1 GLN A 61 20.384 -1.445 0.407 1.00 0.00 O ATOM 930 NE2 GLN A 61 19.700 -2.564 -1.415 1.00 0.00 N ATOM 0 H GLN A 61 22.356 -6.880 2.221 1.00 0.00 H new ATOM 0 HA GLN A 61 21.511 -6.122 0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 61 22.193 -3.703 1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 61 22.515 -3.461 0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 61 20.071 -4.644 -0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 61 19.925 -3.878 1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 61 19.543 -3.468 -1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 61 19.492 -1.703 -1.920 1.00 0.00 H new ATOM 939 N GLU A 62 23.405 -6.757 -1.198 1.00 0.00 N ATOM 940 CA GLU A 62 24.386 -7.009 -2.247 1.00 0.00 C ATOM 941 C GLU A 62 23.860 -6.553 -3.605 1.00 0.00 C ATOM 942 O GLU A 62 24.036 -7.237 -4.612 1.00 0.00 O ATOM 943 CB GLU A 62 24.739 -8.497 -2.297 1.00 0.00 C ATOM 944 CG GLU A 62 25.736 -8.921 -1.229 1.00 0.00 C ATOM 945 CD GLU A 62 25.355 -10.231 -0.566 1.00 0.00 C ATOM 946 OE1 GLU A 62 24.958 -11.169 -1.287 1.00 0.00 O ATOM 947 OE2 GLU A 62 25.455 -10.318 0.676 1.00 0.00 O ATOM 0 H GLU A 62 22.693 -7.481 -1.103 1.00 0.00 H new ATOM 0 HA GLU A 62 25.284 -6.437 -2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 62 23.827 -9.083 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 62 25.149 -8.732 -3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 62 26.725 -9.019 -1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 62 25.806 -8.141 -0.471 1.00 0.00 H new ATOM 954 N GLY A 63 23.212 -5.393 -3.623 1.00 0.00 N ATOM 955 CA GLY A 63 22.670 -4.866 -4.861 1.00 0.00 C ATOM 956 C GLY A 63 21.655 -3.765 -4.628 1.00 0.00 C ATOM 957 O GLY A 63 20.674 -3.957 -3.910 1.00 0.00 O ATOM 0 H GLY A 63 23.053 -4.809 -2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 63 23.484 -4.481 -5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.202 -5.675 -5.422 1.00 0.00 H new ATOM 961 N GLY A 64 21.891 -2.606 -5.235 1.00 0.00 N ATOM 962 CA GLY A 64 20.982 -1.487 -5.076 1.00 0.00 C ATOM 963 C GLY A 64 19.589 -1.795 -5.589 1.00 0.00 C ATOM 964 O GLY A 64 18.666 -2.013 -4.804 1.00 0.00 O ATOM 0 H GLY A 64 22.696 -2.422 -5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.926 -1.215 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 64 21.379 -0.622 -5.608 1.00 0.00 H new ATOM 968 N GLU A 65 19.436 -1.812 -6.909 1.00 0.00 N ATOM 969 CA GLU A 65 18.145 -2.096 -7.526 1.00 0.00 C ATOM 970 C GLU A 65 17.105 -1.060 -7.112 1.00 0.00 C ATOM 971 O GLU A 65 16.552 -1.125 -6.014 1.00 0.00 O ATOM 972 CB GLU A 65 17.668 -3.498 -7.139 1.00 0.00 C ATOM 973 CG GLU A 65 18.572 -4.609 -7.647 1.00 0.00 C ATOM 974 CD GLU A 65 18.668 -4.635 -9.161 1.00 0.00 C ATOM 975 OE1 GLU A 65 17.773 -5.224 -9.802 1.00 0.00 O ATOM 976 OE2 GLU A 65 19.639 -4.067 -9.704 1.00 0.00 O ATOM 0 H GLU A 65 20.190 -1.632 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 65 18.269 -2.048 -8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.601 -3.563 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.662 -3.652 -7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 65 19.569 -4.483 -7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.196 -5.569 -7.294 1.00 0.00 H new ATOM 983 N GLY A 66 16.843 -0.104 -7.997 1.00 0.00 N ATOM 984 CA GLY A 66 15.871 0.932 -7.705 1.00 0.00 C ATOM 985 C GLY A 66 16.036 2.150 -8.591 1.00 0.00 C ATOM 986 O GLY A 66 17.126 2.714 -8.687 1.00 0.00 O ATOM 0 H GLY A 66 17.287 -0.029 -8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.866 0.529 -7.831 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.966 1.231 -6.661 1.00 0.00 H new ATOM 990 N LEU A 67 14.950 2.559 -9.240 1.00 0.00 N ATOM 991 CA LEU A 67 14.979 3.719 -10.124 1.00 0.00 C ATOM 992 C LEU A 67 13.857 4.694 -9.777 1.00 0.00 C ATOM 993 O LEU A 67 12.700 4.299 -9.633 1.00 0.00 O ATOM 994 CB LEU A 67 14.861 3.277 -11.585 1.00 0.00 C ATOM 995 CG LEU A 67 16.105 3.531 -12.438 1.00 0.00 C ATOM 996 CD1 LEU A 67 16.376 5.023 -12.555 1.00 0.00 C ATOM 997 CD2 LEU A 67 17.310 2.813 -11.849 1.00 0.00 C ATOM 0 H LEU A 67 14.040 2.105 -9.170 1.00 0.00 H new ATOM 0 HA LEU A 67 15.932 4.229 -9.985 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.633 2.211 -11.610 1.00 0.00 H new ATOM 0 HB3 LEU A 67 14.016 3.794 -12.039 1.00 0.00 H new ATOM 0 HG LEU A 67 15.924 3.136 -13.438 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.265 5.185 -13.165 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.521 5.513 -13.022 1.00 0.00 H new ATOM 0 HD13 LEU A 67 16.537 5.443 -11.562 1.00 0.00 H new ATOM 0 HD21 LEU A 67 18.186 3.005 -12.468 1.00 0.00 H new ATOM 0 HD22 LEU A 67 17.493 3.178 -10.838 1.00 0.00 H new ATOM 0 HD23 LEU A 67 17.115 1.741 -11.818 1.00 0.00 H new ATOM 1009 N SER A 68 14.209 5.968 -9.641 1.00 0.00 N ATOM 1010 CA SER A 68 13.233 7.000 -9.308 1.00 0.00 C ATOM 1011 C SER A 68 13.153 8.054 -10.408 1.00 0.00 C ATOM 1012 O SER A 68 12.075 8.557 -10.722 1.00 0.00 O ATOM 1013 CB SER A 68 13.594 7.662 -7.977 1.00 0.00 C ATOM 1014 OG SER A 68 12.474 8.322 -7.415 1.00 0.00 O ATOM 0 H SER A 68 15.163 6.311 -9.756 1.00 0.00 H new ATOM 0 HA SER A 68 12.257 6.523 -9.217 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.963 6.909 -7.281 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.402 8.377 -8.130 1.00 0.00 H new ATOM 0 HG SER A 68 12.731 8.735 -6.564 1.00 0.00 H new ATOM 1020 N LYS A 69 14.302 8.387 -10.990 1.00 0.00 N ATOM 1021 CA LYS A 69 14.362 9.384 -12.054 1.00 0.00 C ATOM 1022 C LYS A 69 13.961 10.759 -11.532 1.00 0.00 C ATOM 1023 O LYS A 69 13.339 10.877 -10.476 1.00 0.00 O ATOM 1024 CB LYS A 69 13.451 8.980 -13.216 1.00 0.00 C ATOM 1025 CG LYS A 69 13.884 9.555 -14.555 1.00 0.00 C ATOM 1026 CD LYS A 69 13.769 8.525 -15.669 1.00 0.00 C ATOM 1027 CE LYS A 69 15.120 7.910 -16.001 1.00 0.00 C ATOM 1028 NZ LYS A 69 15.607 7.016 -14.914 1.00 0.00 N ATOM 0 H LYS A 69 15.204 7.981 -10.742 1.00 0.00 H new ATOM 0 HA LYS A 69 15.390 9.436 -12.411 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.427 7.893 -13.287 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.434 9.308 -13.001 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.269 10.422 -14.795 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.914 9.904 -14.486 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.074 7.740 -15.370 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.354 8.996 -16.560 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.043 7.344 -16.929 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.848 8.703 -16.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.538 6.631 -15.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.689 7.558 -14.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.934 6.234 -14.780 1.00 0.00 H new ATOM 1042 N GLU A 70 14.323 11.799 -12.278 1.00 0.00 N ATOM 1043 CA GLU A 70 14.001 13.167 -11.888 1.00 0.00 C ATOM 1044 C GLU A 70 12.666 13.606 -12.486 1.00 0.00 C ATOM 1045 O GLU A 70 12.359 13.288 -13.635 1.00 0.00 O ATOM 1046 CB GLU A 70 15.111 14.121 -12.335 1.00 0.00 C ATOM 1047 CG GLU A 70 16.267 14.213 -11.353 1.00 0.00 C ATOM 1048 CD GLU A 70 16.139 15.395 -10.412 1.00 0.00 C ATOM 1049 OE1 GLU A 70 16.015 16.536 -10.906 1.00 0.00 O ATOM 1050 OE2 GLU A 70 16.162 15.181 -9.182 1.00 0.00 O ATOM 0 H GLU A 70 14.839 11.720 -13.155 1.00 0.00 H new ATOM 0 HA GLU A 70 13.919 13.198 -10.802 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.492 13.794 -13.302 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.688 15.115 -12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 70 16.318 13.293 -10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 70 17.203 14.293 -11.906 1.00 0.00 H new ATOM 1057 N PRO A 71 11.850 14.348 -11.714 1.00 0.00 N ATOM 1058 CA PRO A 71 10.545 14.829 -12.182 1.00 0.00 C ATOM 1059 C PRO A 71 10.656 15.657 -13.458 1.00 0.00 C ATOM 1060 O PRO A 71 11.676 15.623 -14.145 1.00 0.00 O ATOM 1061 CB PRO A 71 10.041 15.700 -11.026 1.00 0.00 C ATOM 1062 CG PRO A 71 10.787 15.220 -9.829 1.00 0.00 C ATOM 1063 CD PRO A 71 12.131 14.777 -10.332 1.00 0.00 C ATOM 0 HA PRO A 71 9.878 14.004 -12.431 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.234 16.756 -11.214 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.965 15.592 -10.890 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.889 16.013 -9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.261 14.398 -9.345 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.859 15.588 -10.302 1.00 0.00 H new ATOM 0 HD3 PRO A 71 12.537 13.962 -9.732 1.00 0.00 H new ATOM 1071 N ALA A 72 9.599 16.401 -13.768 1.00 0.00 N ATOM 1072 CA ALA A 72 9.576 17.241 -14.960 1.00 0.00 C ATOM 1073 C ALA A 72 9.787 16.411 -16.221 1.00 0.00 C ATOM 1074 O ALA A 72 9.907 15.188 -16.159 1.00 0.00 O ATOM 1075 CB ALA A 72 10.634 18.329 -14.858 1.00 0.00 C ATOM 0 H ALA A 72 8.746 16.439 -13.209 1.00 0.00 H new ATOM 0 HA ALA A 72 8.594 17.709 -15.026 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.606 18.949 -15.754 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.436 18.948 -13.983 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.619 17.871 -14.764 1.00 0.00 H new ATOM 1081 N GLY A 73 9.833 17.085 -17.366 1.00 0.00 N ATOM 1082 CA GLY A 73 10.029 16.395 -18.627 1.00 0.00 C ATOM 1083 C GLY A 73 9.311 17.073 -19.778 1.00 0.00 C ATOM 1084 O GLY A 73 8.453 16.470 -20.423 1.00 0.00 O ATOM 0 H GLY A 73 9.738 18.098 -17.442 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.095 16.344 -18.848 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.673 15.369 -18.535 1.00 0.00 H new ATOM 1088 N SER A 74 9.661 18.329 -20.033 1.00 0.00 N ATOM 1089 CA SER A 74 9.043 19.091 -21.113 1.00 0.00 C ATOM 1090 C SER A 74 10.102 19.668 -22.046 1.00 0.00 C ATOM 1091 O SER A 74 11.297 19.433 -21.866 1.00 0.00 O ATOM 1092 CB SER A 74 8.180 20.217 -20.543 1.00 0.00 C ATOM 1093 OG SER A 74 6.882 19.751 -20.215 1.00 0.00 O ATOM 0 H SER A 74 10.369 18.841 -19.507 1.00 0.00 H new ATOM 0 HA SER A 74 8.410 18.413 -21.686 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.657 20.630 -19.654 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.106 21.026 -21.270 1.00 0.00 H new ATOM 0 HG SER A 74 6.351 20.490 -19.851 1.00 0.00 H new ATOM 1099 N ASP A 75 9.656 20.424 -23.043 1.00 0.00 N ATOM 1100 CA ASP A 75 10.566 21.037 -24.004 1.00 0.00 C ATOM 1101 C ASP A 75 10.914 22.464 -23.592 1.00 0.00 C ATOM 1102 O ASP A 75 12.063 22.764 -23.269 1.00 0.00 O ATOM 1103 CB ASP A 75 9.941 21.036 -25.400 1.00 0.00 C ATOM 1104 CG ASP A 75 10.313 19.803 -26.199 1.00 0.00 C ATOM 1105 OD1 ASP A 75 11.509 19.442 -26.211 1.00 0.00 O ATOM 1106 OD2 ASP A 75 9.410 19.198 -26.814 1.00 0.00 O ATOM 0 H ASP A 75 8.670 20.627 -23.207 1.00 0.00 H new ATOM 0 HA ASP A 75 11.484 20.450 -24.023 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.856 21.093 -25.309 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.263 21.926 -25.940 1.00 0.00 H new ATOM 1111 N GLU A 76 9.913 23.338 -23.603 1.00 0.00 N ATOM 1112 CA GLU A 76 10.114 24.733 -23.230 1.00 0.00 C ATOM 1113 C GLU A 76 9.881 24.935 -21.736 1.00 0.00 C ATOM 1114 O GLU A 76 8.773 24.736 -21.238 1.00 0.00 O ATOM 1115 CB GLU A 76 9.175 25.637 -24.030 1.00 0.00 C ATOM 1116 CG GLU A 76 9.619 27.090 -24.072 1.00 0.00 C ATOM 1117 CD GLU A 76 9.067 27.901 -22.915 1.00 0.00 C ATOM 1118 OE1 GLU A 76 7.942 27.603 -22.464 1.00 0.00 O ATOM 1119 OE2 GLU A 76 9.762 28.835 -22.463 1.00 0.00 O ATOM 0 H GLU A 76 8.955 23.105 -23.866 1.00 0.00 H new ATOM 0 HA GLU A 76 11.146 24.999 -23.459 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.101 25.259 -25.050 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.176 25.583 -23.597 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.708 27.134 -24.055 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.296 27.538 -25.012 1.00 0.00 H new ATOM 1126 N GLN A 77 10.933 25.330 -21.026 1.00 0.00 N ATOM 1127 CA GLN A 77 10.843 25.559 -19.588 1.00 0.00 C ATOM 1128 C GLN A 77 12.046 26.350 -19.086 1.00 0.00 C ATOM 1129 O GLN A 77 13.125 25.794 -18.881 1.00 0.00 O ATOM 1130 CB GLN A 77 10.748 24.225 -18.845 1.00 0.00 C ATOM 1131 CG GLN A 77 11.943 23.314 -19.075 1.00 0.00 C ATOM 1132 CD GLN A 77 12.707 23.018 -17.799 1.00 0.00 C ATOM 1133 OE1 GLN A 77 12.113 22.733 -16.758 1.00 0.00 O ATOM 1134 NE2 GLN A 77 14.031 23.084 -17.872 1.00 0.00 N ATOM 0 H GLN A 77 11.858 25.498 -21.423 1.00 0.00 H new ATOM 0 HA GLN A 77 9.943 26.142 -19.393 1.00 0.00 H new ATOM 0 HB2 GLN A 77 10.650 24.420 -17.777 1.00 0.00 H new ATOM 0 HB3 GLN A 77 9.841 23.708 -19.159 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.601 22.377 -19.515 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.615 23.778 -19.797 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.482 23.324 -18.755 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.597 22.895 -17.045 1.00 0.00 H new ATOM 1143 N LYS A 78 11.852 27.649 -18.888 1.00 0.00 N ATOM 1144 CA LYS A 78 12.921 28.517 -18.409 1.00 0.00 C ATOM 1145 C LYS A 78 12.408 29.935 -18.178 1.00 0.00 C ATOM 1146 O LYS A 78 12.701 30.552 -17.155 1.00 0.00 O ATOM 1147 CB LYS A 78 14.078 28.537 -19.410 1.00 0.00 C ATOM 1148 CG LYS A 78 15.448 28.608 -18.755 1.00 0.00 C ATOM 1149 CD LYS A 78 16.446 29.350 -19.629 1.00 0.00 C ATOM 1150 CE LYS A 78 17.879 29.019 -19.242 1.00 0.00 C ATOM 1151 NZ LYS A 78 18.140 29.279 -17.800 1.00 0.00 N ATOM 0 H LYS A 78 10.964 28.124 -19.052 1.00 0.00 H new ATOM 0 HA LYS A 78 13.279 28.120 -17.459 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.027 27.642 -20.030 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.958 29.392 -20.075 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.366 29.108 -17.790 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.812 27.599 -18.561 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.281 29.089 -20.674 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.282 30.424 -19.539 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.082 27.971 -19.464 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.564 29.612 -19.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.163 29.238 -17.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.781 30.222 -17.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.658 28.559 -17.225 1.00 0.00 H new ATOM 1165 N GLN A 79 11.641 30.445 -19.136 1.00 0.00 N ATOM 1166 CA GLN A 79 11.086 31.790 -19.037 1.00 0.00 C ATOM 1167 C GLN A 79 9.600 31.791 -19.381 1.00 0.00 C ATOM 1168 O GLN A 79 9.206 31.386 -20.474 1.00 0.00 O ATOM 1169 CB GLN A 79 11.837 32.744 -19.968 1.00 0.00 C ATOM 1170 CG GLN A 79 13.339 32.770 -19.729 1.00 0.00 C ATOM 1171 CD GLN A 79 14.129 32.292 -20.932 1.00 0.00 C ATOM 1172 OE1 GLN A 79 15.128 32.901 -21.315 1.00 0.00 O ATOM 1173 NE2 GLN A 79 13.683 31.196 -21.536 1.00 0.00 N ATOM 0 H GLN A 79 11.390 29.947 -19.990 1.00 0.00 H new ATOM 0 HA GLN A 79 11.203 32.130 -18.008 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.647 32.455 -21.002 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.440 33.751 -19.841 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.646 33.785 -19.478 1.00 0.00 H new ATOM 0 HG3 GLN A 79 13.577 32.143 -18.870 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.851 30.723 -21.185 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.173 30.828 -22.351 1.00 0.00 H new ATOM 1182 N LEU A 80 8.780 32.247 -18.439 1.00 0.00 N ATOM 1183 CA LEU A 80 7.337 32.299 -18.644 1.00 0.00 C ATOM 1184 C LEU A 80 6.704 33.389 -17.785 1.00 0.00 C ATOM 1185 O LEU A 80 6.936 33.456 -16.578 1.00 0.00 O ATOM 1186 CB LEU A 80 6.705 30.945 -18.316 1.00 0.00 C ATOM 1187 CG LEU A 80 7.217 30.283 -17.035 1.00 0.00 C ATOM 1188 CD1 LEU A 80 6.347 30.670 -15.850 1.00 0.00 C ATOM 1189 CD2 LEU A 80 7.259 28.771 -17.196 1.00 0.00 C ATOM 0 H LEU A 80 9.090 32.585 -17.528 1.00 0.00 H new ATOM 0 HA LEU A 80 7.153 32.534 -19.692 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.626 31.076 -18.233 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.880 30.268 -19.152 1.00 0.00 H new ATOM 0 HG LEU A 80 8.231 30.637 -16.847 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.726 30.190 -14.948 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.368 31.752 -15.721 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.322 30.346 -16.030 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.626 28.317 -16.275 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.257 28.400 -17.409 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.925 28.511 -18.019 1.00 0.00 H new ATOM 1201 N ARG A 81 5.901 34.240 -18.417 1.00 0.00 N ATOM 1202 CA ARG A 81 5.233 35.327 -17.711 1.00 0.00 C ATOM 1203 C ARG A 81 4.216 34.777 -16.711 1.00 0.00 C ATOM 1204 O ARG A 81 4.271 33.605 -16.340 1.00 0.00 O ATOM 1205 CB ARG A 81 4.540 36.257 -18.711 1.00 0.00 C ATOM 1206 CG ARG A 81 4.730 37.734 -18.403 1.00 0.00 C ATOM 1207 CD ARG A 81 6.165 38.175 -18.643 1.00 0.00 C ATOM 1208 NE ARG A 81 6.234 39.508 -19.236 1.00 0.00 N ATOM 1209 CZ ARG A 81 7.308 40.292 -19.177 1.00 0.00 C ATOM 1210 NH1 ARG A 81 8.407 39.882 -18.556 1.00 0.00 N ATOM 1211 NH2 ARG A 81 7.283 41.492 -19.743 1.00 0.00 N ATOM 0 H ARG A 81 5.698 34.197 -19.416 1.00 0.00 H new ATOM 0 HA ARG A 81 5.984 35.894 -17.161 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.922 36.051 -19.711 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.474 36.032 -18.725 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.058 38.325 -19.025 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.458 37.928 -17.366 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.709 38.169 -17.699 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.659 37.459 -19.300 1.00 0.00 H new ATOM 0 HE ARG A 81 5.410 39.859 -19.724 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.433 38.960 -18.120 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.226 40.489 -18.515 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.442 41.812 -20.222 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.105 42.094 -19.699 1.00 0.00 H new ATOM 1225 N ALA A 82 3.293 35.630 -16.276 1.00 0.00 N ATOM 1226 CA ALA A 82 2.272 35.224 -15.318 1.00 0.00 C ATOM 1227 C ALA A 82 0.868 35.454 -15.872 1.00 0.00 C ATOM 1228 O ALA A 82 -0.030 34.637 -15.666 1.00 0.00 O ATOM 1229 CB ALA A 82 2.452 35.975 -14.008 1.00 0.00 C ATOM 0 H ALA A 82 3.232 36.604 -16.571 1.00 0.00 H new ATOM 0 HA ALA A 82 2.389 34.156 -15.134 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.683 35.663 -13.301 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.436 35.755 -13.595 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.366 37.047 -14.188 1.00 0.00 H new ATOM 1235 N ASP A 83 0.683 36.570 -16.569 1.00 0.00 N ATOM 1236 CA ASP A 83 -0.617 36.903 -17.142 1.00 0.00 C ATOM 1237 C ASP A 83 -0.851 36.161 -18.460 1.00 0.00 C ATOM 1238 O ASP A 83 -1.709 35.280 -18.532 1.00 0.00 O ATOM 1239 CB ASP A 83 -0.739 38.414 -17.354 1.00 0.00 C ATOM 1240 CG ASP A 83 -1.395 39.110 -16.178 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -2.235 38.477 -15.505 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -1.069 40.290 -15.931 1.00 0.00 O ATOM 0 H ASP A 83 1.414 37.258 -16.751 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.383 36.584 -16.436 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.252 38.837 -17.516 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.319 38.606 -18.257 1.00 0.00 H new ATOM 1247 N PRO A 84 -0.103 36.510 -19.528 1.00 0.00 N ATOM 1248 CA PRO A 84 -0.252 35.877 -20.837 1.00 0.00 C ATOM 1249 C PRO A 84 -0.465 34.364 -20.742 1.00 0.00 C ATOM 1250 O PRO A 84 -1.376 33.821 -21.369 1.00 0.00 O ATOM 1251 CB PRO A 84 1.063 36.191 -21.563 1.00 0.00 C ATOM 1252 CG PRO A 84 1.807 37.179 -20.714 1.00 0.00 C ATOM 1253 CD PRO A 84 0.926 37.556 -19.550 1.00 0.00 C ATOM 0 HA PRO A 84 -1.133 36.254 -21.357 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.651 35.284 -21.705 1.00 0.00 H new ATOM 0 HB3 PRO A 84 0.868 36.603 -22.553 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.742 36.747 -20.359 1.00 0.00 H new ATOM 0 HG3 PRO A 84 2.066 38.063 -21.297 1.00 0.00 H new ATOM 0 HD2 PRO A 84 1.488 37.582 -18.616 1.00 0.00 H new ATOM 0 HD3 PRO A 84 0.487 38.544 -19.686 1.00 0.00 H new ATOM 1261 N PRO A 85 0.369 33.655 -19.956 1.00 0.00 N ATOM 1262 CA PRO A 85 0.251 32.202 -19.794 1.00 0.00 C ATOM 1263 C PRO A 85 -1.052 31.804 -19.109 1.00 0.00 C ATOM 1264 O PRO A 85 -1.683 32.619 -18.435 1.00 0.00 O ATOM 1265 CB PRO A 85 1.451 31.827 -18.910 1.00 0.00 C ATOM 1266 CG PRO A 85 2.364 33.004 -18.962 1.00 0.00 C ATOM 1267 CD PRO A 85 1.484 34.202 -19.167 1.00 0.00 C ATOM 0 HA PRO A 85 0.244 31.691 -20.757 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.136 31.619 -17.887 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.946 30.929 -19.280 1.00 0.00 H new ATOM 0 HG2 PRO A 85 2.937 33.094 -18.039 1.00 0.00 H new ATOM 0 HG3 PRO A 85 3.083 32.904 -19.775 1.00 0.00 H new ATOM 0 HD2 PRO A 85 1.143 34.620 -18.220 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.003 34.999 -19.699 1.00 0.00 H new ATOM 1275 N SER A 86 -1.449 30.548 -19.285 1.00 0.00 N ATOM 1276 CA SER A 86 -2.678 30.041 -18.680 1.00 0.00 C ATOM 1277 C SER A 86 -3.874 30.909 -19.061 1.00 0.00 C ATOM 1278 O SER A 86 -4.323 31.743 -18.274 1.00 0.00 O ATOM 1279 CB SER A 86 -2.537 29.987 -17.158 1.00 0.00 C ATOM 1280 OG SER A 86 -1.178 29.862 -16.776 1.00 0.00 O ATOM 0 H SER A 86 -0.939 29.862 -19.841 1.00 0.00 H new ATOM 0 HA SER A 86 -2.850 29.034 -19.059 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.960 30.890 -16.718 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.107 29.145 -16.766 1.00 0.00 H new ATOM 0 HG SER A 86 -1.114 29.831 -15.799 1.00 0.00 H new ATOM 1286 N THR A 87 -4.385 30.707 -20.270 1.00 0.00 N ATOM 1287 CA THR A 87 -5.530 31.471 -20.749 1.00 0.00 C ATOM 1288 C THR A 87 -6.839 30.825 -20.303 1.00 0.00 C ATOM 1289 O THR A 87 -7.475 31.282 -19.354 1.00 0.00 O ATOM 1290 CB THR A 87 -5.492 31.581 -22.275 1.00 0.00 C ATOM 1291 OG1 THR A 87 -5.530 30.296 -22.873 1.00 0.00 O ATOM 1292 CG2 THR A 87 -4.260 32.292 -22.794 1.00 0.00 C ATOM 0 H THR A 87 -4.025 30.022 -20.935 1.00 0.00 H new ATOM 0 HA THR A 87 -5.476 32.471 -20.319 1.00 0.00 H new ATOM 0 HB THR A 87 -6.371 32.168 -22.543 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.507 30.388 -23.848 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.296 32.335 -23.883 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.227 33.304 -22.391 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.368 31.749 -22.482 1.00 0.00 H new ATOM 1300 N ASP A 88 -7.234 29.759 -20.995 1.00 0.00 N ATOM 1301 CA ASP A 88 -8.467 29.047 -20.672 1.00 0.00 C ATOM 1302 C ASP A 88 -8.745 27.957 -21.702 1.00 0.00 C ATOM 1303 O ASP A 88 -8.929 26.791 -21.356 1.00 0.00 O ATOM 1304 CB ASP A 88 -9.649 30.019 -20.612 1.00 0.00 C ATOM 1305 CG ASP A 88 -10.168 30.211 -19.201 1.00 0.00 C ATOM 1306 OD1 ASP A 88 -10.723 29.244 -18.636 1.00 0.00 O ATOM 1307 OD2 ASP A 88 -10.021 31.328 -18.661 1.00 0.00 O ATOM 0 H ASP A 88 -6.717 29.369 -21.783 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.342 28.582 -19.694 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.344 30.983 -21.018 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.455 29.647 -21.245 1.00 0.00 H new ATOM 1312 N LEU A 89 -8.772 28.350 -22.970 1.00 0.00 N ATOM 1313 CA LEU A 89 -9.027 27.416 -24.060 1.00 0.00 C ATOM 1314 C LEU A 89 -7.773 26.612 -24.397 1.00 0.00 C ATOM 1315 O LEU A 89 -7.859 25.501 -24.918 1.00 0.00 O ATOM 1316 CB LEU A 89 -9.514 28.174 -25.296 1.00 0.00 C ATOM 1317 CG LEU A 89 -9.627 27.342 -26.575 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -10.433 26.074 -26.323 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -10.255 28.170 -27.689 1.00 0.00 C ATOM 0 H LEU A 89 -8.620 29.313 -23.269 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.801 26.719 -23.739 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.491 28.604 -25.076 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.834 29.005 -25.483 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.625 27.047 -26.887 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.501 25.497 -27.245 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.940 25.476 -25.556 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.435 26.341 -25.987 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.330 27.566 -28.593 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.251 28.493 -27.385 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.635 29.044 -27.887 1.00 0.00 H new ATOM 1331 N ASN A 90 -6.608 27.183 -24.099 1.00 0.00 N ATOM 1332 CA ASN A 90 -5.335 26.521 -24.375 1.00 0.00 C ATOM 1333 C ASN A 90 -5.329 25.081 -23.863 1.00 0.00 C ATOM 1334 O ASN A 90 -4.926 24.163 -24.576 1.00 0.00 O ATOM 1335 CB ASN A 90 -4.185 27.305 -23.738 1.00 0.00 C ATOM 1336 CG ASN A 90 -2.826 26.798 -24.178 1.00 0.00 C ATOM 1337 OD1 ASN A 90 -2.437 26.953 -25.336 1.00 0.00 O ATOM 1338 ND2 ASN A 90 -2.095 26.185 -23.254 1.00 0.00 N ATOM 0 H ASN A 90 -6.519 28.102 -23.666 1.00 0.00 H new ATOM 0 HA ASN A 90 -5.202 26.494 -25.456 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.279 28.359 -24.000 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.261 27.238 -22.653 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.172 25.821 -23.492 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.456 26.078 -22.306 1.00 0.00 H new ATOM 1345 N THR A 91 -5.766 24.891 -22.620 1.00 0.00 N ATOM 1346 CA THR A 91 -5.797 23.562 -22.014 1.00 0.00 C ATOM 1347 C THR A 91 -6.726 22.597 -22.766 1.00 0.00 C ATOM 1348 O THR A 91 -6.680 21.389 -22.532 1.00 0.00 O ATOM 1349 CB THR A 91 -6.235 23.664 -20.553 1.00 0.00 C ATOM 1350 OG1 THR A 91 -7.052 24.803 -20.353 1.00 0.00 O ATOM 1351 CG2 THR A 91 -5.075 23.756 -19.585 1.00 0.00 C ATOM 0 H THR A 91 -6.103 25.639 -22.014 1.00 0.00 H new ATOM 0 HA THR A 91 -4.787 23.158 -22.074 1.00 0.00 H new ATOM 0 HB THR A 91 -6.783 22.744 -20.351 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.323 24.850 -19.413 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.456 23.826 -18.566 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.451 22.867 -19.679 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.481 24.641 -19.812 1.00 0.00 H new ATOM 1359 N PHE A 92 -7.564 23.119 -23.662 1.00 0.00 N ATOM 1360 CA PHE A 92 -8.482 22.274 -24.419 1.00 0.00 C ATOM 1361 C PHE A 92 -7.887 21.887 -25.774 1.00 0.00 C ATOM 1362 O PHE A 92 -8.301 20.901 -26.382 1.00 0.00 O ATOM 1363 CB PHE A 92 -9.823 22.989 -24.613 1.00 0.00 C ATOM 1364 CG PHE A 92 -10.721 22.912 -23.414 1.00 0.00 C ATOM 1365 CD1 PHE A 92 -10.599 23.824 -22.378 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -11.691 21.926 -23.323 1.00 0.00 C ATOM 1367 CE1 PHE A 92 -11.427 23.754 -21.273 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -12.521 21.851 -22.222 1.00 0.00 C ATOM 1369 CZ PHE A 92 -12.390 22.765 -21.195 1.00 0.00 C ATOM 0 H PHE A 92 -7.625 24.114 -23.879 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.647 21.359 -23.849 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -9.636 24.036 -24.851 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -10.337 22.554 -25.470 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.848 24.599 -22.434 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.799 21.208 -24.123 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.322 24.471 -20.472 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -13.273 21.078 -22.164 1.00 0.00 H new ATOM 0 HZ PHE A 92 -13.038 22.707 -20.333 1.00 0.00 H new ATOM 1379 N THR A 93 -6.911 22.666 -26.237 1.00 0.00 N ATOM 1380 CA THR A 93 -6.256 22.398 -27.515 1.00 0.00 C ATOM 1381 C THR A 93 -7.262 22.459 -28.670 1.00 0.00 C ATOM 1382 O THR A 93 -8.219 23.230 -28.620 1.00 0.00 O ATOM 1383 CB THR A 93 -5.555 21.032 -27.478 1.00 0.00 C ATOM 1384 OG1 THR A 93 -6.450 19.993 -27.833 1.00 0.00 O ATOM 1385 CG2 THR A 93 -4.971 20.690 -26.123 1.00 0.00 C ATOM 0 H THR A 93 -6.557 23.487 -25.746 1.00 0.00 H new ATOM 0 HA THR A 93 -5.505 23.170 -27.684 1.00 0.00 H new ATOM 0 HB THR A 93 -4.740 21.113 -28.197 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.371 20.286 -27.674 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.492 19.712 -26.170 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.234 21.443 -25.844 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.767 20.668 -25.379 1.00 0.00 H new ATOM 1393 N VAL A 94 -7.040 21.653 -29.711 1.00 0.00 N ATOM 1394 CA VAL A 94 -7.930 21.635 -30.868 1.00 0.00 C ATOM 1395 C VAL A 94 -8.537 20.251 -31.086 1.00 0.00 C ATOM 1396 O VAL A 94 -9.755 20.097 -31.154 1.00 0.00 O ATOM 1397 CB VAL A 94 -7.192 22.067 -32.149 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -8.171 22.235 -33.301 1.00 0.00 C ATOM 1399 CG2 VAL A 94 -6.415 23.353 -31.909 1.00 0.00 C ATOM 0 H VAL A 94 -6.253 21.007 -29.774 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.730 22.345 -30.658 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.483 21.284 -32.418 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.630 22.540 -34.197 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.678 21.289 -33.488 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.907 22.997 -33.045 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.900 23.643 -32.825 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.104 24.145 -31.614 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.684 23.194 -31.116 1.00 0.00 H new ATOM 1409 N GLU A 95 -7.673 19.251 -31.198 1.00 0.00 N ATOM 1410 CA GLU A 95 -8.098 17.871 -31.417 1.00 0.00 C ATOM 1411 C GLU A 95 -8.886 17.320 -30.229 1.00 0.00 C ATOM 1412 O GLU A 95 -9.606 16.330 -30.362 1.00 0.00 O ATOM 1413 CB GLU A 95 -6.884 16.982 -31.687 1.00 0.00 C ATOM 1414 CG GLU A 95 -5.899 16.928 -30.531 1.00 0.00 C ATOM 1415 CD GLU A 95 -4.472 16.698 -30.989 1.00 0.00 C ATOM 1416 OE1 GLU A 95 -4.281 15.987 -31.999 1.00 0.00 O ATOM 1417 OE2 GLU A 95 -3.547 17.227 -30.340 1.00 0.00 O ATOM 0 H GLU A 95 -6.662 19.370 -31.140 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.757 17.868 -32.285 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.227 15.971 -31.909 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.368 17.346 -32.576 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.951 17.862 -29.971 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.190 16.130 -29.848 1.00 0.00 H new ATOM 1424 N GLN A 96 -8.733 17.945 -29.066 1.00 0.00 N ATOM 1425 CA GLN A 96 -9.419 17.489 -27.864 1.00 0.00 C ATOM 1426 C GLN A 96 -10.881 17.890 -27.894 1.00 0.00 C ATOM 1427 O GLN A 96 -11.749 17.133 -27.468 1.00 0.00 O ATOM 1428 CB GLN A 96 -8.739 18.055 -26.614 1.00 0.00 C ATOM 1429 CG GLN A 96 -8.368 16.994 -25.591 1.00 0.00 C ATOM 1430 CD GLN A 96 -7.091 16.260 -25.952 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -6.397 16.628 -26.900 1.00 0.00 O ATOM 1432 NE2 GLN A 96 -6.773 15.217 -25.194 1.00 0.00 N ATOM 0 H GLN A 96 -8.142 18.766 -28.931 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.362 16.401 -27.831 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.838 18.592 -26.912 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.403 18.782 -26.147 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.250 17.462 -24.614 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.184 16.276 -25.505 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.378 14.947 -24.418 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.924 14.686 -25.388 1.00 0.00 H new ATOM 1441 N LEU A 97 -11.147 19.079 -28.407 1.00 0.00 N ATOM 1442 CA LEU A 97 -12.515 19.569 -28.498 1.00 0.00 C ATOM 1443 C LEU A 97 -13.316 18.684 -29.436 1.00 0.00 C ATOM 1444 O LEU A 97 -14.324 18.099 -29.048 1.00 0.00 O ATOM 1445 CB LEU A 97 -12.576 21.025 -28.986 1.00 0.00 C ATOM 1446 CG LEU A 97 -11.236 21.719 -29.248 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -11.238 22.383 -30.615 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -10.945 22.740 -28.160 1.00 0.00 C ATOM 0 H LEU A 97 -10.440 19.721 -28.765 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.942 19.537 -27.496 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.159 21.051 -29.907 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.123 21.609 -28.246 1.00 0.00 H new ATOM 0 HG LEU A 97 -10.449 20.965 -29.233 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.278 22.871 -30.784 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.402 21.630 -31.385 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -12.035 23.125 -30.658 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.989 23.224 -28.361 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.735 23.490 -28.144 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.901 22.239 -27.193 1.00 0.00 H new ATOM 1460 N LYS A 98 -12.852 18.586 -30.674 1.00 0.00 N ATOM 1461 CA LYS A 98 -13.532 17.754 -31.671 1.00 0.00 C ATOM 1462 C LYS A 98 -13.711 16.323 -31.160 1.00 0.00 C ATOM 1463 O LYS A 98 -14.715 15.677 -31.456 1.00 0.00 O ATOM 1464 CB LYS A 98 -12.787 17.736 -33.021 1.00 0.00 C ATOM 1465 CG LYS A 98 -11.373 18.298 -32.995 1.00 0.00 C ATOM 1466 CD LYS A 98 -11.359 19.779 -33.348 1.00 0.00 C ATOM 1467 CE LYS A 98 -11.874 20.024 -34.759 1.00 0.00 C ATOM 1468 NZ LYS A 98 -10.814 20.568 -35.651 1.00 0.00 N ATOM 0 H LYS A 98 -12.018 19.064 -31.015 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.512 18.202 -31.835 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.744 16.707 -33.379 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.371 18.302 -33.746 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.940 18.154 -32.005 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.748 17.748 -33.699 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.973 20.329 -32.635 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.344 20.165 -33.259 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.253 19.090 -35.174 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.711 20.721 -34.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.205 20.721 -36.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.469 21.472 -35.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.026 19.892 -35.706 1.00 0.00 H new ATOM 1482 N ALA A 99 -12.741 15.828 -30.395 1.00 0.00 N ATOM 1483 CA ALA A 99 -12.819 14.471 -29.858 1.00 0.00 C ATOM 1484 C ALA A 99 -13.609 14.416 -28.560 1.00 0.00 C ATOM 1485 O ALA A 99 -14.145 13.371 -28.190 1.00 0.00 O ATOM 1486 CB ALA A 99 -11.427 13.892 -29.664 1.00 0.00 C ATOM 0 H ALA A 99 -11.899 16.341 -30.134 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.354 13.863 -30.588 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.506 12.881 -29.264 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.908 13.863 -30.622 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.867 14.516 -28.967 1.00 0.00 H new ATOM 1492 N GLN A 100 -13.674 15.540 -27.878 1.00 0.00 N ATOM 1493 CA GLN A 100 -14.398 15.625 -26.616 1.00 0.00 C ATOM 1494 C GLN A 100 -15.870 15.937 -26.850 1.00 0.00 C ATOM 1495 O GLN A 100 -16.742 15.386 -26.182 1.00 0.00 O ATOM 1496 CB GLN A 100 -13.774 16.679 -25.699 1.00 0.00 C ATOM 1497 CG GLN A 100 -12.525 16.198 -24.981 1.00 0.00 C ATOM 1498 CD GLN A 100 -12.841 15.460 -23.694 1.00 0.00 C ATOM 1499 OE1 GLN A 100 -12.759 16.027 -22.604 1.00 0.00 O ATOM 1500 NE2 GLN A 100 -13.203 14.188 -23.813 1.00 0.00 N ATOM 0 H GLN A 100 -13.235 16.412 -28.173 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.326 14.653 -26.127 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -13.527 17.561 -26.289 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.512 16.987 -24.959 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.960 15.542 -25.643 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.886 17.053 -24.758 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.258 13.758 -24.736 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.426 13.641 -22.981 1.00 0.00 H new ATOM 1509 N LEU A 101 -16.144 16.822 -27.805 1.00 0.00 N ATOM 1510 CA LEU A 101 -17.519 17.194 -28.121 1.00 0.00 C ATOM 1511 C LEU A 101 -18.327 15.952 -28.462 1.00 0.00 C ATOM 1512 O LEU A 101 -19.423 15.741 -27.941 1.00 0.00 O ATOM 1513 CB LEU A 101 -17.564 18.170 -29.308 1.00 0.00 C ATOM 1514 CG LEU A 101 -17.673 19.670 -28.972 1.00 0.00 C ATOM 1515 CD1 LEU A 101 -18.495 20.386 -30.031 1.00 0.00 C ATOM 1516 CD2 LEU A 101 -18.278 19.904 -27.591 1.00 0.00 C ATOM 0 H LEU A 101 -15.437 17.292 -28.370 1.00 0.00 H new ATOM 0 HA LEU A 101 -17.947 17.684 -27.247 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -16.664 18.020 -29.905 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -18.412 17.901 -29.937 1.00 0.00 H new ATOM 0 HG LEU A 101 -16.662 20.077 -28.961 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.565 21.445 -29.783 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -18.015 20.272 -31.003 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -19.496 19.955 -30.068 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -18.336 20.975 -27.396 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -19.279 19.474 -27.555 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -17.652 19.431 -26.835 1.00 0.00 H new ATOM 1528 N THR A 102 -17.769 15.128 -29.340 1.00 0.00 N ATOM 1529 CA THR A 102 -18.426 13.899 -29.753 1.00 0.00 C ATOM 1530 C THR A 102 -18.571 12.953 -28.573 1.00 0.00 C ATOM 1531 O THR A 102 -19.601 12.300 -28.406 1.00 0.00 O ATOM 1532 CB THR A 102 -17.634 13.221 -30.872 1.00 0.00 C ATOM 1533 OG1 THR A 102 -16.338 13.782 -30.985 1.00 0.00 O ATOM 1534 CG2 THR A 102 -18.304 13.339 -32.219 1.00 0.00 C ATOM 0 H THR A 102 -16.863 15.290 -29.779 1.00 0.00 H new ATOM 0 HA THR A 102 -19.419 14.149 -30.127 1.00 0.00 H new ATOM 0 HB THR A 102 -17.580 12.168 -30.596 1.00 0.00 H new ATOM 0 HG1 THR A 102 -15.849 13.333 -31.706 1.00 0.00 H new ATOM 0 HG21 THR A 102 -17.696 12.839 -32.973 1.00 0.00 H new ATOM 0 HG22 THR A 102 -19.288 12.872 -32.178 1.00 0.00 H new ATOM 0 HG23 THR A 102 -18.413 14.392 -32.480 1.00 0.00 H new ATOM 1542 N GLU A 103 -17.530 12.888 -27.754 1.00 0.00 N ATOM 1543 CA GLU A 103 -17.541 12.024 -26.583 1.00 0.00 C ATOM 1544 C GLU A 103 -18.301 12.664 -25.425 1.00 0.00 C ATOM 1545 O GLU A 103 -18.517 12.036 -24.388 1.00 0.00 O ATOM 1546 CB GLU A 103 -16.114 11.683 -26.154 1.00 0.00 C ATOM 1547 CG GLU A 103 -15.491 10.552 -26.956 1.00 0.00 C ATOM 1548 CD GLU A 103 -14.091 10.209 -26.489 1.00 0.00 C ATOM 1549 OE1 GLU A 103 -13.874 10.142 -25.261 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -13.210 10.005 -27.352 1.00 0.00 O ATOM 0 H GLU A 103 -16.670 13.422 -27.879 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.057 11.104 -26.857 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -15.492 12.572 -26.252 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -16.116 11.410 -25.099 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -16.122 9.667 -26.880 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -15.460 10.832 -28.009 1.00 0.00 H new ATOM 1557 N ARG A 104 -18.702 13.913 -25.609 1.00 0.00 N ATOM 1558 CA ARG A 104 -19.437 14.643 -24.581 1.00 0.00 C ATOM 1559 C ARG A 104 -20.941 14.607 -24.843 1.00 0.00 C ATOM 1560 O ARG A 104 -21.740 14.906 -23.955 1.00 0.00 O ATOM 1561 CB ARG A 104 -18.953 16.092 -24.515 1.00 0.00 C ATOM 1562 CG ARG A 104 -19.613 16.907 -23.414 1.00 0.00 C ATOM 1563 CD ARG A 104 -18.929 18.252 -23.226 1.00 0.00 C ATOM 1564 NE ARG A 104 -18.638 18.528 -21.820 1.00 0.00 N ATOM 1565 CZ ARG A 104 -17.837 19.508 -21.407 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -17.242 20.304 -22.288 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -17.628 19.691 -20.111 1.00 0.00 N ATOM 0 H ARG A 104 -18.531 14.445 -26.462 1.00 0.00 H new ATOM 0 HA ARG A 104 -19.248 14.156 -23.624 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -17.874 16.099 -24.363 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -19.142 16.573 -25.474 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -20.664 17.064 -23.657 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -19.582 16.348 -22.479 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -18.001 18.270 -23.798 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -19.566 19.041 -23.626 1.00 0.00 H new ATOM 0 HE ARG A 104 -19.074 17.935 -21.114 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -17.398 20.166 -23.287 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -16.629 21.053 -21.966 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -18.081 19.081 -19.430 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -17.014 20.442 -19.794 1.00 0.00 H new ATOM 1581 N GLY A 105 -21.327 14.232 -26.061 1.00 0.00 N ATOM 1582 CA GLY A 105 -22.737 14.157 -26.399 1.00 0.00 C ATOM 1583 C GLY A 105 -23.186 15.255 -27.348 1.00 0.00 C ATOM 1584 O GLY A 105 -24.385 15.484 -27.508 1.00 0.00 O ATOM 0 H GLY A 105 -20.690 13.980 -26.817 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -22.944 13.187 -26.852 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -23.327 14.214 -25.484 1.00 0.00 H new ATOM 1588 N ILE A 106 -22.234 15.933 -27.985 1.00 0.00 N ATOM 1589 CA ILE A 106 -22.567 17.000 -28.922 1.00 0.00 C ATOM 1590 C ILE A 106 -22.576 16.477 -30.357 1.00 0.00 C ATOM 1591 O ILE A 106 -23.332 16.960 -31.199 1.00 0.00 O ATOM 1592 CB ILE A 106 -21.580 18.184 -28.803 1.00 0.00 C ATOM 1593 CG1 ILE A 106 -21.698 18.835 -27.424 1.00 0.00 C ATOM 1594 CG2 ILE A 106 -21.836 19.213 -29.898 1.00 0.00 C ATOM 1595 CD1 ILE A 106 -21.150 17.982 -26.301 1.00 0.00 C ATOM 0 H ILE A 106 -21.235 15.764 -27.870 1.00 0.00 H new ATOM 0 HA ILE A 106 -23.565 17.357 -28.667 1.00 0.00 H new ATOM 0 HB ILE A 106 -20.567 17.800 -28.925 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -21.170 19.788 -27.435 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -22.747 19.054 -27.224 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -21.130 20.037 -29.795 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -21.708 18.745 -30.874 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -22.854 19.593 -29.809 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -21.268 18.508 -25.354 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -21.694 17.038 -26.262 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -20.093 17.784 -26.477 1.00 0.00 H new ATOM 1607 N THR A 107 -21.736 15.479 -30.622 1.00 0.00 N ATOM 1608 CA THR A 107 -21.647 14.877 -31.952 1.00 0.00 C ATOM 1609 C THR A 107 -21.555 15.939 -33.045 1.00 0.00 C ATOM 1610 O THR A 107 -21.981 15.712 -34.178 1.00 0.00 O ATOM 1611 CB THR A 107 -22.857 13.974 -32.205 1.00 0.00 C ATOM 1612 OG1 THR A 107 -24.056 14.615 -31.806 1.00 0.00 O ATOM 1613 CG2 THR A 107 -22.779 12.649 -31.477 1.00 0.00 C ATOM 0 H THR A 107 -21.106 15.069 -29.933 1.00 0.00 H new ATOM 0 HA THR A 107 -20.735 14.281 -31.984 1.00 0.00 H new ATOM 0 HB THR A 107 -22.852 13.781 -33.278 1.00 0.00 H new ATOM 0 HG1 THR A 107 -24.110 15.499 -32.226 1.00 0.00 H new ATOM 0 HG21 THR A 107 -23.668 12.058 -31.700 1.00 0.00 H new ATOM 0 HG22 THR A 107 -21.892 12.107 -31.803 1.00 0.00 H new ATOM 0 HG23 THR A 107 -22.722 12.827 -30.403 1.00 0.00 H new ATOM 1621 N PHE A 108 -20.996 17.095 -32.703 1.00 0.00 N ATOM 1622 CA PHE A 108 -20.849 18.182 -33.664 1.00 0.00 C ATOM 1623 C PHE A 108 -22.215 18.628 -34.181 1.00 0.00 C ATOM 1624 O PHE A 108 -23.250 18.157 -33.709 1.00 0.00 O ATOM 1625 CB PHE A 108 -19.966 17.743 -34.836 1.00 0.00 C ATOM 1626 CG PHE A 108 -18.544 17.430 -34.451 1.00 0.00 C ATOM 1627 CD1 PHE A 108 -18.265 16.563 -33.406 1.00 0.00 C ATOM 1628 CD2 PHE A 108 -17.486 17.997 -35.142 1.00 0.00 C ATOM 1629 CE1 PHE A 108 -16.963 16.269 -33.057 1.00 0.00 C ATOM 1630 CE2 PHE A 108 -16.179 17.706 -34.799 1.00 0.00 C ATOM 1631 CZ PHE A 108 -15.918 16.842 -33.755 1.00 0.00 C ATOM 0 H PHE A 108 -20.638 17.303 -31.771 1.00 0.00 H new ATOM 0 HA PHE A 108 -20.373 19.023 -33.159 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -20.408 16.861 -35.300 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -19.962 18.531 -35.589 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -19.078 16.111 -32.857 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -17.685 18.675 -35.959 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.761 15.592 -32.240 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -15.363 18.154 -35.347 1.00 0.00 H new ATOM 0 HZ PHE A 108 -14.898 16.614 -33.484 1.00 0.00 H new ATOM 1641 N LYS A 109 -22.211 19.534 -35.153 1.00 0.00 N ATOM 1642 CA LYS A 109 -23.453 20.037 -35.732 1.00 0.00 C ATOM 1643 C LYS A 109 -23.167 21.016 -36.866 1.00 0.00 C ATOM 1644 O LYS A 109 -22.016 21.376 -37.112 1.00 0.00 O ATOM 1645 CB LYS A 109 -24.304 20.715 -34.654 1.00 0.00 C ATOM 1646 CG LYS A 109 -25.523 19.906 -34.243 1.00 0.00 C ATOM 1647 CD LYS A 109 -26.719 20.213 -35.129 1.00 0.00 C ATOM 1648 CE LYS A 109 -27.883 19.280 -34.838 1.00 0.00 C ATOM 1649 NZ LYS A 109 -28.262 19.298 -33.398 1.00 0.00 N ATOM 0 H LYS A 109 -21.364 19.935 -35.556 1.00 0.00 H new ATOM 0 HA LYS A 109 -24.005 19.191 -36.140 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -23.685 20.896 -33.775 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -24.631 21.688 -35.020 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -25.291 18.842 -34.299 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -25.773 20.124 -33.205 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -27.032 21.246 -34.974 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -26.430 20.121 -36.176 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -28.742 19.571 -35.443 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -27.616 18.264 -35.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -29.175 18.815 -33.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -27.533 18.809 -32.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -28.344 20.282 -33.073 1.00 0.00 H new ATOM 1663 N GLN A 110 -24.222 21.443 -37.554 1.00 0.00 N ATOM 1664 CA GLN A 110 -24.084 22.383 -38.663 1.00 0.00 C ATOM 1665 C GLN A 110 -23.347 23.642 -38.218 1.00 0.00 C ATOM 1666 O GLN A 110 -22.640 24.272 -39.005 1.00 0.00 O ATOM 1667 CB GLN A 110 -25.460 22.753 -39.220 1.00 0.00 C ATOM 1668 CG GLN A 110 -25.402 23.423 -40.584 1.00 0.00 C ATOM 1669 CD GLN A 110 -26.232 24.691 -40.647 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -27.081 24.848 -41.524 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -25.988 25.605 -39.714 1.00 0.00 N ATOM 0 H GLN A 110 -25.181 21.154 -37.364 1.00 0.00 H new ATOM 0 HA GLN A 110 -23.501 21.900 -39.447 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -26.068 21.851 -39.292 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -25.960 23.420 -38.518 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -24.366 23.659 -40.825 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.754 22.725 -41.343 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -25.275 25.433 -39.006 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -26.514 26.479 -39.706 1.00 0.00 H new ATOM 1680 N SER A 111 -23.517 24.001 -36.950 1.00 0.00 N ATOM 1681 CA SER A 111 -22.867 25.182 -36.396 1.00 0.00 C ATOM 1682 C SER A 111 -21.564 24.802 -35.700 1.00 0.00 C ATOM 1683 O SER A 111 -20.620 25.591 -35.654 1.00 0.00 O ATOM 1684 CB SER A 111 -23.800 25.888 -35.409 1.00 0.00 C ATOM 1685 OG SER A 111 -23.674 27.297 -35.508 1.00 0.00 O ATOM 0 H SER A 111 -24.100 23.490 -36.287 1.00 0.00 H new ATOM 0 HA SER A 111 -22.638 25.862 -37.216 1.00 0.00 H new ATOM 0 HB2 SER A 111 -24.832 25.597 -35.607 1.00 0.00 H new ATOM 0 HB3 SER A 111 -23.568 25.569 -34.393 1.00 0.00 H new ATOM 0 HG SER A 111 -24.281 27.725 -34.869 1.00 0.00 H new ATOM 1691 N ALA A 112 -21.518 23.586 -35.163 1.00 0.00 N ATOM 1692 CA ALA A 112 -20.331 23.099 -34.472 1.00 0.00 C ATOM 1693 C ALA A 112 -19.288 22.593 -35.464 1.00 0.00 C ATOM 1694 O ALA A 112 -18.886 21.429 -35.419 1.00 0.00 O ATOM 1695 CB ALA A 112 -20.707 22.001 -33.488 1.00 0.00 C ATOM 0 H ALA A 112 -22.290 22.920 -35.194 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.894 23.931 -33.920 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -19.811 21.646 -32.979 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -21.410 22.395 -32.754 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -21.170 21.174 -34.026 1.00 0.00 H new ATOM 1701 N THR A 113 -18.854 23.474 -36.359 1.00 0.00 N ATOM 1702 CA THR A 113 -17.859 23.117 -37.362 1.00 0.00 C ATOM 1703 C THR A 113 -16.489 22.917 -36.722 1.00 0.00 C ATOM 1704 O THR A 113 -15.962 21.804 -36.697 1.00 0.00 O ATOM 1705 CB THR A 113 -17.777 24.203 -38.437 1.00 0.00 C ATOM 1706 OG1 THR A 113 -19.057 24.751 -38.695 1.00 0.00 O ATOM 1707 CG2 THR A 113 -17.220 23.701 -39.751 1.00 0.00 C ATOM 0 H THR A 113 -19.176 24.440 -36.410 1.00 0.00 H new ATOM 0 HA THR A 113 -18.166 22.179 -37.824 1.00 0.00 H new ATOM 0 HB THR A 113 -17.099 24.956 -38.036 1.00 0.00 H new ATOM 0 HG1 THR A 113 -18.983 25.444 -39.384 1.00 0.00 H new ATOM 0 HG21 THR A 113 -17.189 24.520 -40.469 1.00 0.00 H new ATOM 0 HG22 THR A 113 -16.212 23.316 -39.596 1.00 0.00 H new ATOM 0 HG23 THR A 113 -17.857 22.905 -40.136 1.00 0.00 H new ATOM 1715 N LYS A 114 -15.920 24.000 -36.202 1.00 0.00 N ATOM 1716 CA LYS A 114 -14.613 23.941 -35.560 1.00 0.00 C ATOM 1717 C LYS A 114 -14.415 25.125 -34.623 1.00 0.00 C ATOM 1718 O LYS A 114 -13.964 24.965 -33.489 1.00 0.00 O ATOM 1719 CB LYS A 114 -13.502 23.913 -36.610 1.00 0.00 C ATOM 1720 CG LYS A 114 -13.460 25.155 -37.485 1.00 0.00 C ATOM 1721 CD LYS A 114 -12.461 25.004 -38.622 1.00 0.00 C ATOM 1722 CE LYS A 114 -13.053 24.223 -39.784 1.00 0.00 C ATOM 1723 NZ LYS A 114 -14.073 25.017 -40.525 1.00 0.00 N ATOM 0 H LYS A 114 -16.344 24.928 -36.213 1.00 0.00 H new ATOM 0 HA LYS A 114 -14.567 23.024 -34.973 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.541 23.800 -36.107 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -13.635 23.036 -37.244 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -14.452 25.346 -37.894 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.193 26.020 -36.878 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -12.149 25.990 -38.966 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -11.568 24.496 -38.258 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.256 23.928 -40.467 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.508 23.306 -39.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -14.291 24.547 -41.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -14.939 25.089 -39.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.702 25.970 -40.713 1.00 0.00 H new ATOM 1737 N ALA A 115 -14.761 26.312 -35.101 1.00 0.00 N ATOM 1738 CA ALA A 115 -14.626 27.519 -34.302 1.00 0.00 C ATOM 1739 C ALA A 115 -15.712 27.589 -33.234 1.00 0.00 C ATOM 1740 O ALA A 115 -15.564 28.282 -32.228 1.00 0.00 O ATOM 1741 CB ALA A 115 -14.673 28.752 -35.191 1.00 0.00 C ATOM 0 H ALA A 115 -15.137 26.464 -36.037 1.00 0.00 H new ATOM 0 HA ALA A 115 -13.659 27.488 -33.800 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -14.571 29.647 -34.577 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -13.857 28.712 -35.913 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.625 28.782 -35.721 1.00 0.00 H new ATOM 1747 N GLU A 116 -16.805 26.865 -33.458 1.00 0.00 N ATOM 1748 CA GLU A 116 -17.914 26.845 -32.512 1.00 0.00 C ATOM 1749 C GLU A 116 -17.678 25.812 -31.415 1.00 0.00 C ATOM 1750 O GLU A 116 -18.014 26.041 -30.254 1.00 0.00 O ATOM 1751 CB GLU A 116 -19.229 26.555 -33.237 1.00 0.00 C ATOM 1752 CG GLU A 116 -19.729 27.719 -34.077 1.00 0.00 C ATOM 1753 CD GLU A 116 -19.808 29.015 -33.293 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -20.543 29.055 -32.284 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -19.133 29.990 -33.687 1.00 0.00 O ATOM 0 H GLU A 116 -16.945 26.285 -34.286 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.978 27.829 -32.047 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.096 25.685 -33.880 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.990 26.295 -32.502 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -19.067 27.856 -34.932 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -20.715 27.478 -34.474 1.00 0.00 H new ATOM 1762 N LEU A 117 -17.094 24.675 -31.786 1.00 0.00 N ATOM 1763 CA LEU A 117 -16.813 23.620 -30.819 1.00 0.00 C ATOM 1764 C LEU A 117 -15.683 24.037 -29.895 1.00 0.00 C ATOM 1765 O LEU A 117 -15.699 23.741 -28.700 1.00 0.00 O ATOM 1766 CB LEU A 117 -16.446 22.305 -31.521 1.00 0.00 C ATOM 1767 CG LEU A 117 -15.303 22.391 -32.539 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -13.954 22.413 -31.836 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -15.371 21.224 -33.510 1.00 0.00 C ATOM 0 H LEU A 117 -16.809 24.463 -32.742 1.00 0.00 H new ATOM 0 HA LEU A 117 -17.718 23.458 -30.233 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -16.176 21.572 -30.761 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -17.333 21.926 -32.029 1.00 0.00 H new ATOM 0 HG LEU A 117 -15.414 23.320 -33.098 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -13.158 22.474 -32.578 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -13.902 23.279 -31.176 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -13.834 21.502 -31.250 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -14.553 21.299 -34.227 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -15.286 20.287 -32.959 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -16.322 21.248 -34.041 1.00 0.00 H new ATOM 1781 N ILE A 118 -14.700 24.721 -30.460 1.00 0.00 N ATOM 1782 CA ILE A 118 -13.556 25.173 -29.691 1.00 0.00 C ATOM 1783 C ILE A 118 -13.949 26.287 -28.723 1.00 0.00 C ATOM 1784 O ILE A 118 -13.322 26.466 -27.679 1.00 0.00 O ATOM 1785 CB ILE A 118 -12.409 25.652 -30.617 1.00 0.00 C ATOM 1786 CG1 ILE A 118 -11.112 25.799 -29.831 1.00 0.00 C ATOM 1787 CG2 ILE A 118 -12.749 26.962 -31.319 1.00 0.00 C ATOM 1788 CD1 ILE A 118 -9.916 25.247 -30.565 1.00 0.00 C ATOM 0 H ILE A 118 -14.673 24.974 -31.448 1.00 0.00 H new ATOM 0 HA ILE A 118 -13.198 24.321 -29.113 1.00 0.00 H new ATOM 0 HB ILE A 118 -12.277 24.891 -31.386 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -10.943 26.853 -29.612 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -11.213 25.287 -28.874 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -11.917 27.259 -31.957 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -13.643 26.827 -31.928 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -12.931 27.737 -30.575 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -9.022 25.380 -29.956 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -10.067 24.185 -30.760 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.793 25.776 -31.510 1.00 0.00 H new ATOM 1800 N ALA A 119 -15.001 27.024 -29.071 1.00 0.00 N ATOM 1801 CA ALA A 119 -15.489 28.109 -28.231 1.00 0.00 C ATOM 1802 C ALA A 119 -16.477 27.597 -27.189 1.00 0.00 C ATOM 1803 O ALA A 119 -16.558 28.121 -26.080 1.00 0.00 O ATOM 1804 CB ALA A 119 -16.133 29.190 -29.086 1.00 0.00 C ATOM 0 H ALA A 119 -15.531 26.887 -29.931 1.00 0.00 H new ATOM 0 HA ALA A 119 -14.637 28.538 -27.704 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -16.493 29.995 -28.445 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.398 29.586 -29.787 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -16.970 28.765 -29.640 1.00 0.00 H new ATOM 1810 N LEU A 120 -17.241 26.577 -27.570 1.00 0.00 N ATOM 1811 CA LEU A 120 -18.247 25.996 -26.688 1.00 0.00 C ATOM 1812 C LEU A 120 -17.618 25.356 -25.453 1.00 0.00 C ATOM 1813 O LEU A 120 -18.192 25.405 -24.366 1.00 0.00 O ATOM 1814 CB LEU A 120 -19.079 24.960 -27.449 1.00 0.00 C ATOM 1815 CG LEU A 120 -20.560 25.309 -27.605 1.00 0.00 C ATOM 1816 CD1 LEU A 120 -20.723 26.634 -28.333 1.00 0.00 C ATOM 1817 CD2 LEU A 120 -21.294 24.200 -28.343 1.00 0.00 C ATOM 0 H LEU A 120 -17.182 26.135 -28.487 1.00 0.00 H new ATOM 0 HA LEU A 120 -18.894 26.805 -26.349 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -18.646 24.826 -28.440 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -18.999 24.003 -26.934 1.00 0.00 H new ATOM 0 HG LEU A 120 -20.996 25.408 -26.611 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -21.783 26.865 -28.434 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -20.232 27.424 -27.765 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -20.271 26.564 -29.322 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -22.346 24.465 -28.445 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -20.855 24.069 -29.332 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -21.207 23.270 -27.781 1.00 0.00 H new ATOM 1829 N PHE A 121 -16.447 24.748 -25.620 1.00 0.00 N ATOM 1830 CA PHE A 121 -15.774 24.099 -24.504 1.00 0.00 C ATOM 1831 C PHE A 121 -15.381 25.109 -23.432 1.00 0.00 C ATOM 1832 O PHE A 121 -14.242 25.572 -23.387 1.00 0.00 O ATOM 1833 CB PHE A 121 -14.542 23.342 -24.990 1.00 0.00 C ATOM 1834 CG PHE A 121 -14.827 21.902 -25.287 1.00 0.00 C ATOM 1835 CD1 PHE A 121 -15.008 20.991 -24.260 1.00 0.00 C ATOM 1836 CD2 PHE A 121 -14.921 21.459 -26.594 1.00 0.00 C ATOM 1837 CE1 PHE A 121 -15.277 19.666 -24.531 1.00 0.00 C ATOM 1838 CE2 PHE A 121 -15.191 20.139 -26.872 1.00 0.00 C ATOM 1839 CZ PHE A 121 -15.370 19.239 -25.840 1.00 0.00 C ATOM 0 H PHE A 121 -15.950 24.692 -26.509 1.00 0.00 H new ATOM 0 HA PHE A 121 -16.473 23.390 -24.061 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -14.155 23.824 -25.888 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -13.760 23.405 -24.233 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -14.938 21.322 -23.234 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -14.781 22.158 -27.406 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -15.414 18.965 -23.721 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -15.263 19.807 -27.897 1.00 0.00 H new ATOM 0 HZ PHE A 121 -15.582 18.203 -26.057 1.00 0.00 H new ATOM 1849 N ALA A 122 -16.334 25.443 -22.570 1.00 0.00 N ATOM 1850 CA ALA A 122 -16.095 26.395 -21.494 1.00 0.00 C ATOM 1851 C ALA A 122 -16.659 25.877 -20.173 1.00 0.00 C ATOM 1852 O ALA A 122 -17.598 25.081 -20.160 1.00 0.00 O ATOM 1853 CB ALA A 122 -16.705 27.744 -21.838 1.00 0.00 C ATOM 0 H ALA A 122 -17.282 25.067 -22.596 1.00 0.00 H new ATOM 0 HA ALA A 122 -15.018 26.516 -21.379 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -16.519 28.446 -21.025 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -16.255 28.124 -22.755 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -17.780 27.632 -21.981 1.00 0.00 H new ATOM 1859 N PRO A 123 -16.092 26.325 -19.040 1.00 0.00 N ATOM 1860 CA PRO A 123 -16.546 25.902 -17.710 1.00 0.00 C ATOM 1861 C PRO A 123 -17.958 26.387 -17.399 1.00 0.00 C ATOM 1862 O PRO A 123 -18.148 27.311 -16.608 1.00 0.00 O ATOM 1863 CB PRO A 123 -15.534 26.550 -16.760 1.00 0.00 C ATOM 1864 CG PRO A 123 -14.976 27.702 -17.523 1.00 0.00 C ATOM 1865 CD PRO A 123 -14.969 27.276 -18.964 1.00 0.00 C ATOM 0 HA PRO A 123 -16.593 24.816 -17.623 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -16.013 26.881 -15.839 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -14.751 25.847 -16.477 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -15.585 28.595 -17.383 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -13.970 27.945 -17.183 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -15.113 28.123 -19.635 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -14.025 26.807 -19.241 1.00 0.00 H new ATOM 1873 N ALA A 124 -18.946 25.759 -18.029 1.00 0.00 N ATOM 1874 CA ALA A 124 -20.340 26.127 -17.821 1.00 0.00 C ATOM 1875 C ALA A 124 -21.208 24.893 -17.602 1.00 0.00 C ATOM 1876 O ALA A 124 -22.028 24.852 -16.684 1.00 0.00 O ATOM 1877 CB ALA A 124 -20.854 26.933 -19.005 1.00 0.00 C ATOM 0 H ALA A 124 -18.806 24.993 -18.688 1.00 0.00 H new ATOM 0 HA ALA A 124 -20.398 26.742 -16.923 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -21.897 27.202 -18.837 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -20.259 27.840 -19.114 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -20.775 26.336 -19.913 1.00 0.00 H new ATOM 1883 N ASP A 125 -21.023 23.886 -18.451 1.00 0.00 N ATOM 1884 CA ASP A 125 -21.790 22.650 -18.350 1.00 0.00 C ATOM 1885 C ASP A 125 -21.480 21.921 -17.047 1.00 0.00 C ATOM 1886 O ASP A 125 -20.508 22.241 -16.360 1.00 0.00 O ATOM 1887 CB ASP A 125 -21.486 21.739 -19.540 1.00 0.00 C ATOM 1888 CG ASP A 125 -22.015 22.297 -20.846 1.00 0.00 C ATOM 1889 OD1 ASP A 125 -23.237 22.543 -20.935 1.00 0.00 O ATOM 1890 OD2 ASP A 125 -21.208 22.488 -21.781 1.00 0.00 O ATOM 0 H ASP A 125 -20.349 23.902 -19.216 1.00 0.00 H new ATOM 0 HA ASP A 125 -22.849 22.908 -18.358 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -20.408 21.597 -19.619 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -21.925 20.757 -19.364 1.00 0.00 H new ATOM 1895 N GLY A 126 -22.311 20.940 -16.710 1.00 0.00 N ATOM 1896 CA GLY A 126 -22.108 20.180 -15.491 1.00 0.00 C ATOM 1897 C GLY A 126 -20.986 19.170 -15.617 1.00 0.00 C ATOM 1898 O GLY A 126 -20.119 19.082 -14.747 1.00 0.00 O ATOM 0 H GLY A 126 -23.122 20.658 -17.260 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -21.886 20.865 -14.673 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -23.031 19.662 -15.232 1.00 0.00 H new ATOM 1902 N GLU A 127 -21.001 18.404 -16.703 1.00 0.00 N ATOM 1903 CA GLU A 127 -19.978 17.393 -16.940 1.00 0.00 C ATOM 1904 C GLU A 127 -18.601 18.036 -17.072 1.00 0.00 C ATOM 1905 O GLU A 127 -18.473 19.158 -17.562 1.00 0.00 O ATOM 1906 CB GLU A 127 -20.304 16.593 -18.203 1.00 0.00 C ATOM 1907 CG GLU A 127 -21.043 15.294 -17.925 1.00 0.00 C ATOM 1908 CD GLU A 127 -22.209 15.073 -18.868 1.00 0.00 C ATOM 1909 OE1 GLU A 127 -22.081 15.415 -20.062 1.00 0.00 O ATOM 1910 OE2 GLU A 127 -23.252 14.559 -18.412 1.00 0.00 O ATOM 0 H GLU A 127 -21.711 18.465 -17.433 1.00 0.00 H new ATOM 0 HA GLU A 127 -19.964 16.717 -16.085 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -20.908 17.210 -18.868 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -19.377 16.368 -18.731 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -20.348 14.459 -18.011 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -21.408 15.300 -16.898 1.00 0.00 H new ATOM 1917 N LYS A 128 -17.573 17.318 -16.632 1.00 0.00 N ATOM 1918 CA LYS A 128 -16.205 17.819 -16.701 1.00 0.00 C ATOM 1919 C LYS A 128 -15.420 17.106 -17.799 1.00 0.00 C ATOM 1920 O LYS A 128 -15.763 15.995 -18.199 1.00 0.00 O ATOM 1921 CB LYS A 128 -15.503 17.635 -15.355 1.00 0.00 C ATOM 1922 CG LYS A 128 -15.746 18.780 -14.382 1.00 0.00 C ATOM 1923 CD LYS A 128 -15.999 18.270 -12.972 1.00 0.00 C ATOM 1924 CE LYS A 128 -17.484 18.262 -12.643 1.00 0.00 C ATOM 1925 NZ LYS A 128 -18.186 17.108 -13.270 1.00 0.00 N ATOM 0 H LYS A 128 -17.661 16.387 -16.224 1.00 0.00 H new ATOM 0 HA LYS A 128 -16.245 18.882 -16.939 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -15.843 16.704 -14.901 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -14.431 17.534 -15.524 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -14.883 19.446 -14.380 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -16.601 19.367 -14.716 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -15.597 17.262 -12.870 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -15.469 18.898 -12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -17.616 18.223 -11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -17.937 19.192 -12.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -18.833 16.678 -12.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.728 17.438 -14.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.487 16.401 -13.576 1.00 0.00 H new ATOM 1939 N SER A 129 -14.366 17.757 -18.281 1.00 0.00 N ATOM 1940 CA SER A 129 -13.532 17.186 -19.333 1.00 0.00 C ATOM 1941 C SER A 129 -12.777 15.962 -18.824 1.00 0.00 C ATOM 1942 O SER A 129 -11.850 16.080 -18.023 1.00 0.00 O ATOM 1943 CB SER A 129 -12.542 18.231 -19.851 1.00 0.00 C ATOM 1944 OG SER A 129 -12.282 18.046 -21.231 1.00 0.00 O ATOM 0 H SER A 129 -14.069 18.679 -17.961 1.00 0.00 H new ATOM 0 HA SER A 129 -14.183 16.875 -20.150 1.00 0.00 H new ATOM 0 HB2 SER A 129 -12.943 19.231 -19.684 1.00 0.00 H new ATOM 0 HB3 SER A 129 -11.610 18.163 -19.290 1.00 0.00 H new ATOM 0 HG SER A 129 -12.714 17.222 -21.538 1.00 0.00 H new ATOM 1950 N GLU A 130 -13.178 14.787 -19.298 1.00 0.00 N ATOM 1951 CA GLU A 130 -12.538 13.540 -18.892 1.00 0.00 C ATOM 1952 C GLU A 130 -11.195 13.364 -19.596 1.00 0.00 C ATOM 1953 O GLU A 130 -10.215 12.939 -18.987 1.00 0.00 O ATOM 1954 CB GLU A 130 -13.452 12.352 -19.199 1.00 0.00 C ATOM 1955 CG GLU A 130 -13.604 11.386 -18.035 1.00 0.00 C ATOM 1956 CD GLU A 130 -12.342 10.589 -17.769 1.00 0.00 C ATOM 1957 OE1 GLU A 130 -11.747 10.078 -18.742 1.00 0.00 O ATOM 1958 OE2 GLU A 130 -11.949 10.475 -16.590 1.00 0.00 O ATOM 0 H GLU A 130 -13.943 14.672 -19.963 1.00 0.00 H new ATOM 0 HA GLU A 130 -12.360 13.583 -17.818 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -14.436 12.725 -19.482 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -13.056 11.812 -20.059 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -13.873 11.944 -17.138 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -14.425 10.700 -18.242 1.00 0.00 H new ATOM 1965 N ALA A 131 -11.160 13.695 -20.883 1.00 0.00 N ATOM 1966 CA ALA A 131 -9.940 13.574 -21.670 1.00 0.00 C ATOM 1967 C ALA A 131 -9.447 12.132 -21.702 1.00 0.00 C ATOM 1968 O ALA A 131 -10.280 11.219 -21.520 1.00 0.00 O ATOM 1969 CB ALA A 131 -8.860 14.490 -21.113 1.00 0.00 C ATOM 1970 OXT ALA A 131 -8.233 11.927 -21.911 1.00 0.00 O ATOM 0 H ALA A 131 -11.963 14.049 -21.402 1.00 0.00 H new ATOM 0 HA ALA A 131 -10.166 13.876 -22.693 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -7.954 14.389 -21.711 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -9.205 15.523 -21.149 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -8.646 14.214 -20.080 1.00 0.00 H new TER 1976 ALA A 131