USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 570 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 51 SER OG : rot 56:sc= -1.79! USER MOD Set 1.2: A 84 THR OG1 : rot 169:sc= -1.46! USER MOD Set 1.3: A 85 THR OG1 : rot -140:sc= -2.11! USER MOD Set 1.4: A 93 LYS NZ :NH3+ -117:sc= 1.51 (180deg=-2.11!) USER MOD Set 1.5: A 95 SER OG : rot 108:sc= 1.28 USER MOD Set 2.1: A 3 HIS : no HE2:sc= -7.23! K(o=-6.6!,f=-5.1) USER MOD Set 2.2: A 13 SER OG : rot -24:sc= 0.804 USER MOD Set 2.3: A 16 MET CE :methyl 156:sc= -0.176 (180deg=-0.252) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -58:sc= 0.559 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0308 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -3.63! K(o=-3.6!,f=-2.5) USER MOD Single : A 27 MET CE :methyl 180:sc= -0.0364 (180deg=-0.0364) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.76 USER MOD Single : A 34 ASN : amide:sc= -0.513 K(o=-0.51,f=-1.5) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 46 THR OG1 : rot 56:sc= -0.0914! USER MOD Single : A 47 TYR OH : rot -147:sc= 0.975 USER MOD Single : A 50 ASN : amide:sc= -0.137 K(o=-0.14,f=-0.78) USER MOD Single : A 52 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.1) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -1.75 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0.023) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0113 USER MOD Single : A 69 SER OG : rot 180:sc= 0.402 USER MOD Single : A 71 THR OG1 : rot -179:sc= 0.525 USER MOD Single : A 72 THR OG1 : rot 60:sc= 0.0116 USER MOD Single : A 79 HIS : no HE2:sc= -0.667! C(o=-0.67!,f=-1.8!) USER MOD Single : A 83 SER OG : rot 107:sc= -2.56! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.335 K(o=-0.33,f=-3.2!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc=-0.00849 X(o=-0.0085,f=-0.39) USER MOD Single : A 92 GLN : amide:sc= -0.0314 X(o=-0.031,f=-0.13) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0129 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 53.107 6.626 -34.195 1.00 0.00 N ATOM 32 CA HIS A 3 51.860 6.000 -33.775 1.00 0.00 C ATOM 33 C HIS A 3 51.731 6.014 -32.256 1.00 0.00 C ATOM 34 O HIS A 3 52.631 5.567 -31.546 1.00 0.00 O ATOM 35 CB HIS A 3 51.792 4.560 -34.290 1.00 0.00 C ATOM 36 CG HIS A 3 50.567 4.268 -35.101 1.00 0.00 C ATOM 37 ND1 HIS A 3 50.611 3.954 -36.443 1.00 0.00 N ATOM 38 CD2 HIS A 3 49.259 4.241 -34.753 1.00 0.00 C ATOM 39 CE1 HIS A 3 49.382 3.749 -36.886 1.00 0.00 C ATOM 40 NE2 HIS A 3 48.545 3.916 -35.880 1.00 0.00 N ATOM 0 HA HIS A 3 51.033 6.571 -34.198 1.00 0.00 H new ATOM 0 HB2 HIS A 3 52.675 4.358 -34.896 1.00 0.00 H new ATOM 0 HB3 HIS A 3 51.826 3.878 -33.441 1.00 0.00 H new ATOM 0 HD1 HIS A 3 51.459 3.890 -37.006 1.00 0.00 H new ATOM 0 HD2 HIS A 3 48.853 4.438 -33.772 1.00 0.00 H new ATOM 0 HE1 HIS A 3 49.110 3.489 -37.898 1.00 0.00 H new ATOM 49 N CYS A 4 50.608 6.530 -31.758 1.00 0.00 N ATOM 50 CA CYS A 4 50.380 6.594 -30.317 1.00 0.00 C ATOM 51 C CYS A 4 49.670 5.342 -29.814 1.00 0.00 C ATOM 52 O CYS A 4 49.380 4.427 -30.586 1.00 0.00 O ATOM 53 CB CYS A 4 49.562 7.835 -29.950 1.00 0.00 C ATOM 54 SG CYS A 4 50.570 9.331 -29.682 1.00 0.00 S ATOM 0 H CYS A 4 49.849 6.906 -32.326 1.00 0.00 H new ATOM 0 HA CYS A 4 51.356 6.657 -29.835 1.00 0.00 H new ATOM 0 HB2 CYS A 4 48.842 8.031 -30.744 1.00 0.00 H new ATOM 0 HB3 CYS A 4 48.990 7.627 -29.046 1.00 0.00 H new ATOM 59 N VAL A 5 49.398 5.309 -28.513 1.00 0.00 N ATOM 60 CA VAL A 5 48.725 4.172 -27.897 1.00 0.00 C ATOM 61 C VAL A 5 47.836 4.622 -26.742 1.00 0.00 C ATOM 62 O VAL A 5 47.799 5.803 -26.398 1.00 0.00 O ATOM 63 CB VAL A 5 49.738 3.137 -27.373 1.00 0.00 C ATOM 64 CG1 VAL A 5 50.085 2.129 -28.458 1.00 0.00 C ATOM 65 CG2 VAL A 5 50.991 3.829 -26.858 1.00 0.00 C ATOM 0 H VAL A 5 49.634 6.059 -27.864 1.00 0.00 H new ATOM 0 HA VAL A 5 48.110 3.711 -28.670 1.00 0.00 H new ATOM 0 HB VAL A 5 49.281 2.598 -26.543 1.00 0.00 H new ATOM 0 HG11 VAL A 5 50.802 1.407 -28.068 1.00 0.00 H new ATOM 0 HG12 VAL A 5 49.181 1.609 -28.774 1.00 0.00 H new ATOM 0 HG13 VAL A 5 50.521 2.648 -29.311 1.00 0.00 H new ATOM 0 HG21 VAL A 5 51.695 3.082 -26.492 1.00 0.00 H new ATOM 0 HG22 VAL A 5 51.452 4.396 -27.667 1.00 0.00 H new ATOM 0 HG23 VAL A 5 50.725 4.506 -26.046 1.00 0.00 H new ATOM 75 N THR A 6 47.123 3.671 -26.147 1.00 0.00 N ATOM 76 CA THR A 6 46.233 3.967 -25.030 1.00 0.00 C ATOM 77 C THR A 6 46.677 3.238 -23.765 1.00 0.00 C ATOM 78 O THR A 6 46.354 3.653 -22.652 1.00 0.00 O ATOM 79 CB THR A 6 44.779 3.577 -25.352 1.00 0.00 C ATOM 80 OG1 THR A 6 44.581 2.178 -25.114 1.00 0.00 O ATOM 81 CG2 THR A 6 44.442 3.901 -26.799 1.00 0.00 C ATOM 0 H THR A 6 47.144 2.688 -26.420 1.00 0.00 H new ATOM 0 HA THR A 6 46.283 5.043 -24.862 1.00 0.00 H new ATOM 0 HB THR A 6 44.120 4.152 -24.702 1.00 0.00 H new ATOM 0 HG1 THR A 6 43.653 1.939 -25.320 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.410 3.617 -27.005 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.565 4.970 -26.971 1.00 0.00 H new ATOM 0 HG23 THR A 6 45.109 3.348 -27.460 1.00 0.00 H new ATOM 89 N ASP A 7 47.420 2.151 -23.945 1.00 0.00 N ATOM 90 CA ASP A 7 47.909 1.365 -22.817 1.00 0.00 C ATOM 91 C ASP A 7 48.890 0.297 -23.281 1.00 0.00 C ATOM 92 O ASP A 7 50.045 0.272 -22.857 1.00 0.00 O ATOM 93 CB ASP A 7 46.739 0.715 -22.078 1.00 0.00 C ATOM 94 CG ASP A 7 46.683 1.118 -20.617 1.00 0.00 C ATOM 95 OD1 ASP A 7 47.376 0.478 -19.797 1.00 0.00 O ATOM 96 OD2 ASP A 7 45.948 2.074 -20.293 1.00 0.00 O ATOM 0 H ASP A 7 47.697 1.794 -24.860 1.00 0.00 H new ATOM 0 HA ASP A 7 48.431 2.038 -22.137 1.00 0.00 H new ATOM 0 HB2 ASP A 7 45.805 0.994 -22.565 1.00 0.00 H new ATOM 0 HB3 ASP A 7 46.824 -0.369 -22.150 1.00 0.00 H new ATOM 101 N SER A 8 48.420 -0.582 -24.155 1.00 0.00 N ATOM 102 CA SER A 8 49.250 -1.659 -24.683 1.00 0.00 C ATOM 103 C SER A 8 48.437 -2.583 -25.584 1.00 0.00 C ATOM 104 O SER A 8 48.476 -3.804 -25.434 1.00 0.00 O ATOM 105 CB SER A 8 49.871 -2.461 -23.536 1.00 0.00 C ATOM 106 OG SER A 8 50.745 -3.461 -24.027 1.00 0.00 O ATOM 0 H SER A 8 47.466 -0.571 -24.515 1.00 0.00 H new ATOM 0 HA SER A 8 50.046 -1.212 -25.278 1.00 0.00 H new ATOM 0 HB2 SER A 8 50.417 -1.790 -22.873 1.00 0.00 H new ATOM 0 HB3 SER A 8 49.082 -2.923 -22.942 1.00 0.00 H new ATOM 0 HG SER A 8 50.252 -4.061 -24.625 1.00 0.00 H new ATOM 112 N GLY A 9 47.701 -1.990 -26.517 1.00 0.00 N ATOM 113 CA GLY A 9 46.888 -2.772 -27.431 1.00 0.00 C ATOM 114 C GLY A 9 46.435 -1.968 -28.631 1.00 0.00 C ATOM 115 O GLY A 9 46.646 -2.371 -29.776 1.00 0.00 O ATOM 0 H GLY A 9 47.652 -0.981 -26.657 1.00 0.00 H new ATOM 0 HA2 GLY A 9 47.458 -3.637 -27.770 1.00 0.00 H new ATOM 0 HA3 GLY A 9 46.015 -3.153 -26.901 1.00 0.00 H new ATOM 119 N VAL A 10 45.814 -0.825 -28.367 1.00 0.00 N ATOM 120 CA VAL A 10 45.329 0.047 -29.430 1.00 0.00 C ATOM 121 C VAL A 10 46.358 1.120 -29.765 1.00 0.00 C ATOM 122 O VAL A 10 46.648 1.994 -28.947 1.00 0.00 O ATOM 123 CB VAL A 10 44.003 0.726 -29.040 1.00 0.00 C ATOM 124 CG1 VAL A 10 43.227 1.136 -30.282 1.00 0.00 C ATOM 125 CG2 VAL A 10 43.169 -0.196 -28.163 1.00 0.00 C ATOM 0 H VAL A 10 45.634 -0.480 -27.424 1.00 0.00 H new ATOM 0 HA VAL A 10 45.161 -0.581 -30.305 1.00 0.00 H new ATOM 0 HB VAL A 10 44.231 1.626 -28.469 1.00 0.00 H new ATOM 0 HG11 VAL A 10 42.293 1.614 -29.986 1.00 0.00 H new ATOM 0 HG12 VAL A 10 43.823 1.835 -30.869 1.00 0.00 H new ATOM 0 HG13 VAL A 10 43.008 0.253 -30.882 1.00 0.00 H new ATOM 0 HG21 VAL A 10 42.236 0.301 -27.897 1.00 0.00 H new ATOM 0 HG22 VAL A 10 42.949 -1.115 -28.707 1.00 0.00 H new ATOM 0 HG23 VAL A 10 43.724 -0.435 -27.256 1.00 0.00 H new ATOM 135 N VAL A 11 46.911 1.045 -30.971 1.00 0.00 N ATOM 136 CA VAL A 11 47.911 2.009 -31.414 1.00 0.00 C ATOM 137 C VAL A 11 47.299 3.064 -32.327 1.00 0.00 C ATOM 138 O VAL A 11 47.138 2.844 -33.527 1.00 0.00 O ATOM 139 CB VAL A 11 49.067 1.314 -32.158 1.00 0.00 C ATOM 140 CG1 VAL A 11 50.288 2.219 -32.210 1.00 0.00 C ATOM 141 CG2 VAL A 11 49.405 -0.014 -31.499 1.00 0.00 C ATOM 0 H VAL A 11 46.684 0.327 -31.659 1.00 0.00 H new ATOM 0 HA VAL A 11 48.299 2.493 -30.518 1.00 0.00 H new ATOM 0 HB VAL A 11 48.748 1.113 -33.181 1.00 0.00 H new ATOM 0 HG11 VAL A 11 51.095 1.712 -32.739 1.00 0.00 H new ATOM 0 HG12 VAL A 11 50.035 3.142 -32.733 1.00 0.00 H new ATOM 0 HG13 VAL A 11 50.611 2.453 -31.196 1.00 0.00 H new ATOM 0 HG21 VAL A 11 50.224 -0.490 -32.039 1.00 0.00 H new ATOM 0 HG22 VAL A 11 49.704 0.159 -30.465 1.00 0.00 H new ATOM 0 HG23 VAL A 11 48.530 -0.664 -31.520 1.00 0.00 H new ATOM 151 N TYR A 12 46.965 4.215 -31.752 1.00 0.00 N ATOM 152 CA TYR A 12 46.378 5.307 -32.518 1.00 0.00 C ATOM 153 C TYR A 12 47.463 6.200 -33.096 1.00 0.00 C ATOM 154 O TYR A 12 48.294 6.730 -32.364 1.00 0.00 O ATOM 155 CB TYR A 12 45.450 6.142 -31.639 1.00 0.00 C ATOM 156 CG TYR A 12 44.172 5.434 -31.269 1.00 0.00 C ATOM 157 CD1 TYR A 12 43.138 5.310 -32.185 1.00 0.00 C ATOM 158 CD2 TYR A 12 44.003 4.888 -30.006 1.00 0.00 C ATOM 159 CE1 TYR A 12 41.966 4.658 -31.852 1.00 0.00 C ATOM 160 CE2 TYR A 12 42.835 4.235 -29.663 1.00 0.00 C ATOM 161 CZ TYR A 12 41.819 4.122 -30.589 1.00 0.00 C ATOM 162 OH TYR A 12 40.655 3.472 -30.253 1.00 0.00 O ATOM 0 H TYR A 12 47.091 4.415 -30.760 1.00 0.00 H new ATOM 0 HA TYR A 12 45.802 4.871 -33.334 1.00 0.00 H new ATOM 0 HB2 TYR A 12 45.979 6.420 -30.727 1.00 0.00 H new ATOM 0 HB3 TYR A 12 45.205 7.068 -32.160 1.00 0.00 H new ATOM 0 HD1 TYR A 12 43.251 5.729 -33.174 1.00 0.00 H new ATOM 0 HD2 TYR A 12 44.797 4.975 -29.279 1.00 0.00 H new ATOM 0 HE1 TYR A 12 41.170 4.568 -32.576 1.00 0.00 H new ATOM 0 HE2 TYR A 12 42.718 3.815 -28.675 1.00 0.00 H new ATOM 0 HH TYR A 12 40.713 3.153 -29.328 1.00 0.00 H new ATOM 172 N SER A 13 47.447 6.365 -34.412 1.00 0.00 N ATOM 173 CA SER A 13 48.433 7.200 -35.081 1.00 0.00 C ATOM 174 C SER A 13 48.524 8.569 -34.421 1.00 0.00 C ATOM 175 O SER A 13 47.965 8.795 -33.348 1.00 0.00 O ATOM 176 CB SER A 13 48.078 7.368 -36.552 1.00 0.00 C ATOM 177 OG SER A 13 47.373 6.240 -37.043 1.00 0.00 O ATOM 0 H SER A 13 46.764 5.933 -35.035 1.00 0.00 H new ATOM 0 HA SER A 13 49.400 6.705 -34.998 1.00 0.00 H new ATOM 0 HB2 SER A 13 47.471 8.264 -36.682 1.00 0.00 H new ATOM 0 HB3 SER A 13 48.988 7.512 -37.134 1.00 0.00 H new ATOM 0 HG SER A 13 47.586 5.457 -36.494 1.00 0.00 H new ATOM 183 N VAL A 14 49.231 9.482 -35.071 1.00 0.00 N ATOM 184 CA VAL A 14 49.396 10.829 -34.550 1.00 0.00 C ATOM 185 C VAL A 14 48.397 11.792 -35.179 1.00 0.00 C ATOM 186 O VAL A 14 48.760 12.629 -36.006 1.00 0.00 O ATOM 187 CB VAL A 14 50.824 11.350 -34.797 1.00 0.00 C ATOM 188 CG1 VAL A 14 51.166 11.277 -36.276 1.00 0.00 C ATOM 189 CG2 VAL A 14 50.975 12.769 -34.275 1.00 0.00 C ATOM 0 H VAL A 14 49.700 9.313 -35.961 1.00 0.00 H new ATOM 0 HA VAL A 14 49.214 10.779 -33.477 1.00 0.00 H new ATOM 0 HB VAL A 14 51.523 10.715 -34.253 1.00 0.00 H new ATOM 0 HG11 VAL A 14 52.178 11.649 -36.434 1.00 0.00 H new ATOM 0 HG12 VAL A 14 51.102 10.243 -36.614 1.00 0.00 H new ATOM 0 HG13 VAL A 14 50.463 11.887 -36.843 1.00 0.00 H new ATOM 0 HG21 VAL A 14 51.991 13.118 -34.459 1.00 0.00 H new ATOM 0 HG22 VAL A 14 50.268 13.422 -34.787 1.00 0.00 H new ATOM 0 HG23 VAL A 14 50.774 12.786 -33.204 1.00 0.00 H new ATOM 199 N GLY A 15 47.138 11.669 -34.776 1.00 0.00 N ATOM 200 CA GLY A 15 46.102 12.539 -35.304 1.00 0.00 C ATOM 201 C GLY A 15 44.851 11.786 -35.716 1.00 0.00 C ATOM 202 O GLY A 15 44.128 12.221 -36.612 1.00 0.00 O ATOM 0 H GLY A 15 46.815 10.983 -34.094 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.841 13.283 -34.551 1.00 0.00 H new ATOM 0 HA3 GLY A 15 46.494 13.081 -36.165 1.00 0.00 H new ATOM 206 N MET A 16 44.588 10.658 -35.061 1.00 0.00 N ATOM 207 CA MET A 16 43.412 9.857 -35.370 1.00 0.00 C ATOM 208 C MET A 16 42.269 10.186 -34.414 1.00 0.00 C ATOM 209 O MET A 16 41.132 9.769 -34.629 1.00 0.00 O ATOM 210 CB MET A 16 43.748 8.367 -35.289 1.00 0.00 C ATOM 211 CG MET A 16 44.008 7.727 -36.643 1.00 0.00 C ATOM 212 SD MET A 16 43.159 6.149 -36.839 1.00 0.00 S ATOM 213 CE MET A 16 44.249 5.063 -35.923 1.00 0.00 C ATOM 0 H MET A 16 45.173 10.281 -34.315 1.00 0.00 H new ATOM 0 HA MET A 16 43.095 10.094 -36.386 1.00 0.00 H new ATOM 0 HB2 MET A 16 44.628 8.235 -34.659 1.00 0.00 H new ATOM 0 HB3 MET A 16 42.926 7.844 -34.801 1.00 0.00 H new ATOM 0 HG2 MET A 16 43.686 8.409 -37.431 1.00 0.00 H new ATOM 0 HG3 MET A 16 45.080 7.577 -36.770 1.00 0.00 H new ATOM 0 HE1 MET A 16 43.692 4.189 -35.585 1.00 0.00 H new ATOM 0 HE2 MET A 16 45.069 4.744 -36.566 1.00 0.00 H new ATOM 0 HE3 MET A 16 44.650 5.594 -35.060 1.00 0.00 H new ATOM 223 N GLN A 17 42.584 10.938 -33.359 1.00 0.00 N ATOM 224 CA GLN A 17 41.590 11.325 -32.363 1.00 0.00 C ATOM 225 C GLN A 17 40.538 10.239 -32.186 1.00 0.00 C ATOM 226 O GLN A 17 39.577 10.156 -32.950 1.00 0.00 O ATOM 227 CB GLN A 17 40.923 12.641 -32.756 1.00 0.00 C ATOM 228 CG GLN A 17 40.895 13.657 -31.629 1.00 0.00 C ATOM 229 CD GLN A 17 39.545 14.330 -31.479 1.00 0.00 C ATOM 230 OE1 GLN A 17 39.245 15.307 -32.166 1.00 0.00 O ATOM 231 NE2 GLN A 17 38.721 13.807 -30.577 1.00 0.00 N ATOM 0 H GLN A 17 43.523 11.291 -33.174 1.00 0.00 H new ATOM 0 HA GLN A 17 42.106 11.460 -31.412 1.00 0.00 H new ATOM 0 HB2 GLN A 17 41.451 13.068 -33.609 1.00 0.00 H new ATOM 0 HB3 GLN A 17 39.902 12.441 -33.081 1.00 0.00 H new ATOM 0 HG2 GLN A 17 41.155 13.162 -30.693 1.00 0.00 H new ATOM 0 HG3 GLN A 17 41.656 14.416 -31.811 1.00 0.00 H new ATOM 0 HE21 GLN A 17 39.012 12.997 -30.030 1.00 0.00 H new ATOM 0 HE22 GLN A 17 37.798 14.216 -30.432 1.00 0.00 H new ATOM 240 N TRP A 18 40.731 9.407 -31.172 1.00 0.00 N ATOM 241 CA TRP A 18 39.803 8.321 -30.894 1.00 0.00 C ATOM 242 C TRP A 18 38.992 8.601 -29.630 1.00 0.00 C ATOM 243 O TRP A 18 38.914 9.742 -29.172 1.00 0.00 O ATOM 244 CB TRP A 18 40.565 7.002 -30.769 1.00 0.00 C ATOM 245 CG TRP A 18 41.595 7.013 -29.686 1.00 0.00 C ATOM 246 CD1 TRP A 18 41.469 6.493 -28.433 1.00 0.00 C ATOM 247 CD2 TRP A 18 42.910 7.572 -29.763 1.00 0.00 C ATOM 248 NE1 TRP A 18 42.624 6.694 -27.722 1.00 0.00 N ATOM 249 CE2 TRP A 18 43.527 7.355 -28.517 1.00 0.00 C ATOM 250 CE3 TRP A 18 43.627 8.235 -30.764 1.00 0.00 C ATOM 251 CZ2 TRP A 18 44.827 7.778 -28.248 1.00 0.00 C ATOM 252 CZ3 TRP A 18 44.914 8.653 -30.496 1.00 0.00 C ATOM 253 CH2 TRP A 18 45.503 8.424 -29.249 1.00 0.00 C ATOM 0 H TRP A 18 41.521 9.463 -30.529 1.00 0.00 H new ATOM 0 HA TRP A 18 39.102 8.244 -31.725 1.00 0.00 H new ATOM 0 HB2 TRP A 18 39.855 6.197 -30.577 1.00 0.00 H new ATOM 0 HB3 TRP A 18 41.050 6.779 -31.719 1.00 0.00 H new ATOM 0 HD1 TRP A 18 40.588 5.995 -28.055 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.786 6.400 -26.759 1.00 0.00 H new ATOM 0 HE3 TRP A 18 43.181 8.417 -31.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 45.285 7.603 -27.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 45.476 9.166 -31.262 1.00 0.00 H new ATOM 0 HH2 TRP A 18 46.513 8.764 -29.071 1.00 0.00 H new ATOM 264 N LEU A 19 38.377 7.559 -29.079 1.00 0.00 N ATOM 265 CA LEU A 19 37.554 7.702 -27.884 1.00 0.00 C ATOM 266 C LEU A 19 38.073 6.843 -26.738 1.00 0.00 C ATOM 267 O LEU A 19 38.819 5.888 -26.948 1.00 0.00 O ATOM 268 CB LEU A 19 36.110 7.309 -28.200 1.00 0.00 C ATOM 269 CG LEU A 19 35.111 8.466 -28.259 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.697 9.650 -29.012 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.815 8.010 -28.909 1.00 0.00 C ATOM 0 H LEU A 19 38.433 6.607 -29.441 1.00 0.00 H new ATOM 0 HA LEU A 19 37.598 8.746 -27.573 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.095 6.789 -29.158 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.772 6.598 -27.446 1.00 0.00 H new ATOM 0 HG LEU A 19 34.897 8.786 -27.239 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.968 10.460 -29.041 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.600 9.992 -28.506 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.944 9.348 -30.030 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.113 8.843 -28.945 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.018 7.663 -29.922 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.383 7.196 -28.327 1.00 0.00 H new ATOM 283 N LYS A 20 37.662 7.190 -25.523 1.00 0.00 N ATOM 284 CA LYS A 20 38.076 6.450 -24.337 1.00 0.00 C ATOM 285 C LYS A 20 37.107 6.684 -23.180 1.00 0.00 C ATOM 286 O LYS A 20 36.458 7.728 -23.101 1.00 0.00 O ATOM 287 CB LYS A 20 39.494 6.851 -23.925 1.00 0.00 C ATOM 288 CG LYS A 20 40.307 5.701 -23.352 1.00 0.00 C ATOM 289 CD LYS A 20 41.432 6.205 -22.464 1.00 0.00 C ATOM 290 CE LYS A 20 40.905 6.693 -21.123 1.00 0.00 C ATOM 291 NZ LYS A 20 40.683 5.569 -20.171 1.00 0.00 N ATOM 0 H LYS A 20 37.043 7.978 -25.334 1.00 0.00 H new ATOM 0 HA LYS A 20 38.066 5.388 -24.583 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.015 7.257 -24.792 1.00 0.00 H new ATOM 0 HB3 LYS A 20 39.437 7.649 -23.185 1.00 0.00 H new ATOM 0 HG2 LYS A 20 39.655 5.043 -22.777 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.722 5.106 -24.166 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.156 5.406 -22.303 1.00 0.00 H new ATOM 0 HD3 LYS A 20 41.959 7.016 -22.967 1.00 0.00 H new ATOM 0 HE2 LYS A 20 41.612 7.401 -20.691 1.00 0.00 H new ATOM 0 HE3 LYS A 20 39.969 7.231 -21.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 40.324 5.943 -19.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 39.989 4.907 -20.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 41.581 5.071 -20.006 1.00 0.00 H new ATOM 379 N GLN A 26 32.745 9.797 -20.269 1.00 0.00 N ATOM 380 CA GLN A 26 33.435 9.708 -21.550 1.00 0.00 C ATOM 381 C GLN A 26 34.805 10.374 -21.479 1.00 0.00 C ATOM 382 O GLN A 26 35.089 11.141 -20.560 1.00 0.00 O ATOM 383 CB GLN A 26 32.597 10.355 -22.655 1.00 0.00 C ATOM 384 CG GLN A 26 31.604 9.402 -23.300 1.00 0.00 C ATOM 385 CD GLN A 26 30.774 8.646 -22.281 1.00 0.00 C ATOM 386 OE1 GLN A 26 30.546 7.443 -22.417 1.00 0.00 O ATOM 387 NE2 GLN A 26 30.315 9.349 -21.252 1.00 0.00 N ATOM 0 HA GLN A 26 33.576 8.653 -21.783 1.00 0.00 H new ATOM 0 HB2 GLN A 26 32.055 11.205 -22.239 1.00 0.00 H new ATOM 0 HB3 GLN A 26 33.264 10.747 -23.423 1.00 0.00 H new ATOM 0 HG2 GLN A 26 30.941 9.964 -23.958 1.00 0.00 H new ATOM 0 HG3 GLN A 26 32.143 8.690 -23.924 1.00 0.00 H new ATOM 0 HE21 GLN A 26 30.528 10.344 -21.178 1.00 0.00 H new ATOM 0 HE22 GLN A 26 29.750 8.894 -20.535 1.00 0.00 H new ATOM 396 N MET A 27 35.648 10.073 -22.460 1.00 0.00 N ATOM 397 CA MET A 27 36.991 10.637 -22.520 1.00 0.00 C ATOM 398 C MET A 27 37.636 10.330 -23.866 1.00 0.00 C ATOM 399 O MET A 27 37.928 9.176 -24.173 1.00 0.00 O ATOM 400 CB MET A 27 37.853 10.079 -21.385 1.00 0.00 C ATOM 401 CG MET A 27 39.044 10.957 -21.037 1.00 0.00 C ATOM 402 SD MET A 27 40.622 10.132 -21.318 1.00 0.00 S ATOM 403 CE MET A 27 41.572 10.737 -19.926 1.00 0.00 C ATOM 0 H MET A 27 35.424 9.439 -23.227 1.00 0.00 H new ATOM 0 HA MET A 27 36.917 11.718 -22.406 1.00 0.00 H new ATOM 0 HB2 MET A 27 37.233 9.954 -20.497 1.00 0.00 H new ATOM 0 HB3 MET A 27 38.212 9.089 -21.666 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.004 11.869 -21.633 1.00 0.00 H new ATOM 0 HG3 MET A 27 38.976 11.256 -19.991 1.00 0.00 H new ATOM 0 HE1 MET A 27 42.576 10.314 -19.960 1.00 0.00 H new ATOM 0 HE2 MET A 27 41.634 11.824 -19.973 1.00 0.00 H new ATOM 0 HE3 MET A 27 41.085 10.441 -18.997 1.00 0.00 H new ATOM 413 N LEU A 28 37.853 11.365 -24.668 1.00 0.00 N ATOM 414 CA LEU A 28 38.459 11.191 -25.981 1.00 0.00 C ATOM 415 C LEU A 28 39.943 11.475 -25.934 1.00 0.00 C ATOM 416 O LEU A 28 40.394 12.369 -25.219 1.00 0.00 O ATOM 417 CB LEU A 28 37.793 12.097 -27.002 1.00 0.00 C ATOM 418 CG LEU A 28 36.281 12.145 -26.898 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.673 12.554 -28.225 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.725 10.805 -26.446 1.00 0.00 C ATOM 0 H LEU A 28 37.619 12.330 -24.433 1.00 0.00 H new ATOM 0 HA LEU A 28 38.313 10.153 -26.280 1.00 0.00 H new ATOM 0 HB2 LEU A 28 38.186 13.107 -26.886 1.00 0.00 H new ATOM 0 HB3 LEU A 28 38.067 11.761 -28.002 1.00 0.00 H new ATOM 0 HG LEU A 28 36.014 12.891 -26.149 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.587 12.584 -28.134 1.00 0.00 H new ATOM 0 HD12 LEU A 28 36.041 13.541 -28.505 1.00 0.00 H new ATOM 0 HD13 LEU A 28 35.953 11.832 -28.992 1.00 0.00 H new ATOM 0 HD21 LEU A 28 34.639 10.866 -26.379 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.002 10.035 -27.166 1.00 0.00 H new ATOM 0 HD23 LEU A 28 36.135 10.552 -25.468 1.00 0.00 H new ATOM 432 N CYS A 29 40.692 10.707 -26.702 1.00 0.00 N ATOM 433 CA CYS A 29 42.145 10.853 -26.755 1.00 0.00 C ATOM 434 C CYS A 29 42.601 11.469 -28.073 1.00 0.00 C ATOM 435 O CYS A 29 42.017 11.212 -29.127 1.00 0.00 O ATOM 436 CB CYS A 29 42.818 9.495 -26.561 1.00 0.00 C ATOM 437 SG CYS A 29 42.940 8.957 -24.822 1.00 0.00 S ATOM 0 H CYS A 29 40.322 9.971 -27.303 1.00 0.00 H new ATOM 0 HA CYS A 29 42.438 11.525 -25.949 1.00 0.00 H new ATOM 0 HB2 CYS A 29 42.263 8.744 -27.123 1.00 0.00 H new ATOM 0 HB3 CYS A 29 43.820 9.535 -26.987 1.00 0.00 H new ATOM 442 N THR A 30 43.655 12.277 -28.004 1.00 0.00 N ATOM 443 CA THR A 30 44.203 12.928 -29.191 1.00 0.00 C ATOM 444 C THR A 30 45.728 12.901 -29.184 1.00 0.00 C ATOM 445 O THR A 30 46.365 13.510 -28.324 1.00 0.00 O ATOM 446 CB THR A 30 43.741 14.392 -29.299 1.00 0.00 C ATOM 447 OG1 THR A 30 42.311 14.456 -29.350 1.00 0.00 O ATOM 448 CG2 THR A 30 44.329 15.052 -30.539 1.00 0.00 C ATOM 0 H THR A 30 44.147 12.497 -27.138 1.00 0.00 H new ATOM 0 HA THR A 30 43.831 12.368 -30.049 1.00 0.00 H new ATOM 0 HB THR A 30 44.094 14.927 -28.417 1.00 0.00 H new ATOM 0 HG1 THR A 30 42.028 15.392 -29.417 1.00 0.00 H new ATOM 0 HG21 THR A 30 43.990 16.086 -30.596 1.00 0.00 H new ATOM 0 HG22 THR A 30 45.417 15.030 -30.482 1.00 0.00 H new ATOM 0 HG23 THR A 30 44.001 14.513 -31.428 1.00 0.00 H new ATOM 456 N CYS A 31 46.310 12.203 -30.154 1.00 0.00 N ATOM 457 CA CYS A 31 47.763 12.116 -30.260 1.00 0.00 C ATOM 458 C CYS A 31 48.304 13.282 -31.081 1.00 0.00 C ATOM 459 O CYS A 31 48.152 13.319 -32.302 1.00 0.00 O ATOM 460 CB CYS A 31 48.179 10.783 -30.894 1.00 0.00 C ATOM 461 SG CYS A 31 49.977 10.607 -31.146 1.00 0.00 S ATOM 0 H CYS A 31 45.801 11.691 -30.875 1.00 0.00 H new ATOM 0 HA CYS A 31 48.185 12.168 -29.256 1.00 0.00 H new ATOM 0 HB2 CYS A 31 47.830 9.967 -30.261 1.00 0.00 H new ATOM 0 HB3 CYS A 31 47.676 10.678 -31.855 1.00 0.00 H new ATOM 466 N LEU A 32 48.925 14.240 -30.399 1.00 0.00 N ATOM 467 CA LEU A 32 49.477 15.418 -31.063 1.00 0.00 C ATOM 468 C LEU A 32 50.824 15.111 -31.707 1.00 0.00 C ATOM 469 O LEU A 32 50.917 14.948 -32.923 1.00 0.00 O ATOM 470 CB LEU A 32 49.625 16.569 -30.066 1.00 0.00 C ATOM 471 CG LEU A 32 49.880 16.147 -28.619 1.00 0.00 C ATOM 472 CD1 LEU A 32 50.813 17.130 -27.932 1.00 0.00 C ATOM 473 CD2 LEU A 32 48.565 16.035 -27.860 1.00 0.00 C ATOM 0 H LEU A 32 49.059 14.224 -29.388 1.00 0.00 H new ATOM 0 HA LEU A 32 48.783 15.712 -31.850 1.00 0.00 H new ATOM 0 HB2 LEU A 32 50.446 17.207 -30.392 1.00 0.00 H new ATOM 0 HB3 LEU A 32 48.719 17.174 -30.097 1.00 0.00 H new ATOM 0 HG LEU A 32 50.360 15.168 -28.624 1.00 0.00 H new ATOM 0 HD11 LEU A 32 50.982 16.813 -26.903 1.00 0.00 H new ATOM 0 HD12 LEU A 32 51.764 17.161 -28.463 1.00 0.00 H new ATOM 0 HD13 LEU A 32 50.363 18.123 -27.936 1.00 0.00 H new ATOM 0 HD21 LEU A 32 48.763 15.734 -26.831 1.00 0.00 H new ATOM 0 HD22 LEU A 32 48.059 17.000 -27.864 1.00 0.00 H new ATOM 0 HD23 LEU A 32 47.930 15.290 -28.340 1.00 0.00 H new ATOM 485 N GLY A 33 51.864 15.037 -30.888 1.00 0.00 N ATOM 486 CA GLY A 33 53.192 14.755 -31.401 1.00 0.00 C ATOM 487 C GLY A 33 54.120 14.191 -30.345 1.00 0.00 C ATOM 488 O GLY A 33 54.702 13.121 -30.524 1.00 0.00 O ATOM 0 H GLY A 33 51.813 15.167 -29.878 1.00 0.00 H new ATOM 0 HA2 GLY A 33 53.115 14.047 -32.227 1.00 0.00 H new ATOM 0 HA3 GLY A 33 53.623 15.671 -31.805 1.00 0.00 H new ATOM 492 N ASN A 34 54.258 14.915 -29.243 1.00 0.00 N ATOM 493 CA ASN A 34 55.122 14.485 -28.150 1.00 0.00 C ATOM 494 C ASN A 34 54.423 13.434 -27.296 1.00 0.00 C ATOM 495 O ASN A 34 55.068 12.677 -26.573 1.00 0.00 O ATOM 496 CB ASN A 34 55.523 15.680 -27.283 1.00 0.00 C ATOM 497 CG ASN A 34 54.361 16.219 -26.471 1.00 0.00 C ATOM 498 OD1 ASN A 34 53.631 17.103 -26.921 1.00 0.00 O ATOM 499 ND2 ASN A 34 54.185 15.689 -25.266 1.00 0.00 N ATOM 0 H ASN A 34 53.783 15.803 -29.081 1.00 0.00 H new ATOM 0 HA ASN A 34 56.021 14.045 -28.580 1.00 0.00 H new ATOM 0 HB2 ASN A 34 56.327 15.384 -26.610 1.00 0.00 H new ATOM 0 HB3 ASN A 34 55.916 16.472 -27.920 1.00 0.00 H new ATOM 0 HD21 ASN A 34 53.421 16.013 -24.673 1.00 0.00 H new ATOM 0 HD22 ASN A 34 54.814 14.958 -24.933 1.00 0.00 H new ATOM 506 N GLY A 35 53.099 13.395 -27.391 1.00 0.00 N ATOM 507 CA GLY A 35 52.329 12.434 -26.625 1.00 0.00 C ATOM 508 C GLY A 35 50.869 12.414 -27.026 1.00 0.00 C ATOM 509 O GLY A 35 50.525 12.743 -28.162 1.00 0.00 O ATOM 0 H GLY A 35 52.545 14.012 -27.985 1.00 0.00 H new ATOM 0 HA2 GLY A 35 52.754 11.440 -26.762 1.00 0.00 H new ATOM 0 HA3 GLY A 35 52.409 12.671 -25.564 1.00 0.00 H new ATOM 513 N VAL A 36 50.005 12.028 -26.093 1.00 0.00 N ATOM 514 CA VAL A 36 48.575 11.967 -26.358 1.00 0.00 C ATOM 515 C VAL A 36 47.789 12.701 -25.271 1.00 0.00 C ATOM 516 O VAL A 36 47.952 12.433 -24.082 1.00 0.00 O ATOM 517 CB VAL A 36 48.094 10.498 -26.486 1.00 0.00 C ATOM 518 CG1 VAL A 36 46.741 10.268 -25.818 1.00 0.00 C ATOM 519 CG2 VAL A 36 48.034 10.104 -27.948 1.00 0.00 C ATOM 0 H VAL A 36 50.271 11.753 -25.148 1.00 0.00 H new ATOM 0 HA VAL A 36 48.389 12.466 -27.309 1.00 0.00 H new ATOM 0 HB VAL A 36 48.816 9.869 -25.965 1.00 0.00 H new ATOM 0 HG11 VAL A 36 46.450 9.224 -25.936 1.00 0.00 H new ATOM 0 HG12 VAL A 36 46.814 10.507 -24.757 1.00 0.00 H new ATOM 0 HG13 VAL A 36 45.992 10.909 -26.283 1.00 0.00 H new ATOM 0 HG21 VAL A 36 47.696 9.071 -28.033 1.00 0.00 H new ATOM 0 HG22 VAL A 36 47.338 10.758 -28.473 1.00 0.00 H new ATOM 0 HG23 VAL A 36 49.025 10.199 -28.391 1.00 0.00 H new ATOM 529 N SER A 37 46.938 13.628 -25.697 1.00 0.00 N ATOM 530 CA SER A 37 46.124 14.403 -24.772 1.00 0.00 C ATOM 531 C SER A 37 44.644 14.096 -24.966 1.00 0.00 C ATOM 532 O SER A 37 44.055 14.448 -25.989 1.00 0.00 O ATOM 533 CB SER A 37 46.378 15.899 -24.969 1.00 0.00 C ATOM 534 OG SER A 37 45.526 16.675 -24.144 1.00 0.00 O ATOM 0 H SER A 37 46.795 13.860 -26.680 1.00 0.00 H new ATOM 0 HA SER A 37 46.404 14.125 -23.756 1.00 0.00 H new ATOM 0 HB2 SER A 37 47.419 16.128 -24.739 1.00 0.00 H new ATOM 0 HB3 SER A 37 46.217 16.164 -26.014 1.00 0.00 H new ATOM 0 HG SER A 37 45.710 17.627 -24.288 1.00 0.00 H new ATOM 540 N CYS A 38 44.046 13.437 -23.979 1.00 0.00 N ATOM 541 CA CYS A 38 42.633 13.083 -24.044 1.00 0.00 C ATOM 542 C CYS A 38 41.794 14.053 -23.220 1.00 0.00 C ATOM 543 O CYS A 38 42.268 14.616 -22.233 1.00 0.00 O ATOM 544 CB CYS A 38 42.421 11.652 -23.545 1.00 0.00 C ATOM 545 SG CYS A 38 43.814 10.529 -23.882 1.00 0.00 S ATOM 0 H CYS A 38 44.517 13.138 -23.125 1.00 0.00 H new ATOM 0 HA CYS A 38 42.313 13.147 -25.084 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.241 11.677 -22.470 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.522 11.247 -24.009 1.00 0.00 H new ATOM 550 N GLN A 39 40.545 14.243 -23.631 1.00 0.00 N ATOM 551 CA GLN A 39 39.638 15.145 -22.929 1.00 0.00 C ATOM 552 C GLN A 39 38.651 14.362 -22.072 1.00 0.00 C ATOM 553 O GLN A 39 37.792 13.650 -22.591 1.00 0.00 O ATOM 554 CB GLN A 39 38.882 16.022 -23.928 1.00 0.00 C ATOM 555 CG GLN A 39 39.787 16.749 -24.907 1.00 0.00 C ATOM 556 CD GLN A 39 39.501 18.236 -24.970 1.00 0.00 C ATOM 557 OE1 GLN A 39 40.196 19.041 -24.348 1.00 0.00 O ATOM 558 NE2 GLN A 39 38.474 18.610 -25.724 1.00 0.00 N ATOM 0 H GLN A 39 40.137 13.785 -24.446 1.00 0.00 H new ATOM 0 HA GLN A 39 40.233 15.783 -22.276 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.182 15.401 -24.486 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.291 16.755 -23.380 1.00 0.00 H new ATOM 0 HG2 GLN A 39 40.827 16.595 -24.619 1.00 0.00 H new ATOM 0 HG3 GLN A 39 39.664 16.317 -25.900 1.00 0.00 H new ATOM 0 HE21 GLN A 39 37.925 17.909 -26.222 1.00 0.00 H new ATOM 0 HE22 GLN A 39 38.234 19.598 -25.805 1.00 0.00 H new ATOM 636 N GLN A 45 30.260 23.916 -24.492 1.00 0.00 N ATOM 637 CA GLN A 45 29.932 25.309 -24.205 1.00 0.00 C ATOM 638 C GLN A 45 28.421 25.511 -24.121 1.00 0.00 C ATOM 639 O GLN A 45 27.895 25.893 -23.076 1.00 0.00 O ATOM 640 CB GLN A 45 30.522 26.227 -25.278 1.00 0.00 C ATOM 641 CG GLN A 45 32.036 26.346 -25.210 1.00 0.00 C ATOM 642 CD GLN A 45 32.502 27.765 -24.952 1.00 0.00 C ATOM 643 OE1 GLN A 45 32.098 28.396 -23.975 1.00 0.00 O ATOM 644 NE2 GLN A 45 33.358 28.275 -25.830 1.00 0.00 N ATOM 0 HA GLN A 45 30.367 25.564 -23.239 1.00 0.00 H new ATOM 0 HB2 GLN A 45 30.239 25.852 -26.261 1.00 0.00 H new ATOM 0 HB3 GLN A 45 30.083 27.219 -25.177 1.00 0.00 H new ATOM 0 HG2 GLN A 45 32.412 25.696 -24.420 1.00 0.00 H new ATOM 0 HG3 GLN A 45 32.466 25.992 -26.147 1.00 0.00 H new ATOM 0 HE21 GLN A 45 33.666 27.716 -26.626 1.00 0.00 H new ATOM 0 HE22 GLN A 45 33.707 29.226 -25.709 1.00 0.00 H new ATOM 653 N THR A 46 27.731 25.254 -25.229 1.00 0.00 N ATOM 654 CA THR A 46 26.281 25.410 -25.282 1.00 0.00 C ATOM 655 C THR A 46 25.872 26.833 -24.914 1.00 0.00 C ATOM 656 O THR A 46 26.228 27.335 -23.847 1.00 0.00 O ATOM 657 CB THR A 46 25.571 24.420 -24.341 1.00 0.00 C ATOM 658 OG1 THR A 46 26.412 24.107 -23.225 1.00 0.00 O ATOM 659 CG2 THR A 46 25.209 23.141 -25.081 1.00 0.00 C ATOM 0 H THR A 46 28.153 24.937 -26.102 1.00 0.00 H new ATOM 0 HA THR A 46 25.976 25.199 -26.307 1.00 0.00 H new ATOM 0 HB THR A 46 24.656 24.890 -23.981 1.00 0.00 H new ATOM 0 HG1 THR A 46 26.677 24.935 -22.773 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.708 22.455 -24.398 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.543 23.377 -25.911 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.116 22.674 -25.465 1.00 0.00 H new ATOM 667 N TYR A 47 25.131 27.484 -25.806 1.00 0.00 N ATOM 668 CA TYR A 47 24.690 28.855 -25.571 1.00 0.00 C ATOM 669 C TYR A 47 23.170 28.978 -25.617 1.00 0.00 C ATOM 670 O TYR A 47 22.579 29.731 -24.843 1.00 0.00 O ATOM 671 CB TYR A 47 25.311 29.795 -26.601 1.00 0.00 C ATOM 672 CG TYR A 47 25.306 29.245 -28.010 1.00 0.00 C ATOM 673 CD1 TYR A 47 24.123 29.142 -28.731 1.00 0.00 C ATOM 674 CD2 TYR A 47 26.484 28.830 -28.618 1.00 0.00 C ATOM 675 CE1 TYR A 47 24.115 28.641 -30.019 1.00 0.00 C ATOM 676 CE2 TYR A 47 26.484 28.329 -29.905 1.00 0.00 C ATOM 677 CZ TYR A 47 25.297 28.237 -30.602 1.00 0.00 C ATOM 678 OH TYR A 47 25.292 27.738 -31.884 1.00 0.00 O ATOM 0 H TYR A 47 24.825 27.087 -26.694 1.00 0.00 H new ATOM 0 HA TYR A 47 25.022 29.136 -24.571 1.00 0.00 H new ATOM 0 HB2 TYR A 47 24.770 30.741 -26.588 1.00 0.00 H new ATOM 0 HB3 TYR A 47 26.339 30.011 -26.309 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.195 29.458 -28.278 1.00 0.00 H new ATOM 0 HD2 TYR A 47 27.415 28.900 -28.075 1.00 0.00 H new ATOM 0 HE1 TYR A 47 23.187 28.566 -30.566 1.00 0.00 H new ATOM 0 HE2 TYR A 47 27.409 28.011 -30.364 1.00 0.00 H new ATOM 0 HH TYR A 47 25.991 27.056 -31.972 1.00 0.00 H new ATOM 688 N GLY A 48 22.542 28.247 -26.528 1.00 0.00 N ATOM 689 CA GLY A 48 21.099 28.310 -26.650 1.00 0.00 C ATOM 690 C GLY A 48 20.501 27.043 -27.230 1.00 0.00 C ATOM 691 O GLY A 48 20.715 25.950 -26.708 1.00 0.00 O ATOM 0 H GLY A 48 23.003 27.614 -27.182 1.00 0.00 H new ATOM 0 HA2 GLY A 48 20.664 28.495 -25.668 1.00 0.00 H new ATOM 0 HA3 GLY A 48 20.829 29.156 -27.282 1.00 0.00 H new ATOM 695 N GLY A 49 19.743 27.194 -28.313 1.00 0.00 N ATOM 696 CA GLY A 49 19.117 26.049 -28.946 1.00 0.00 C ATOM 697 C GLY A 49 17.742 25.760 -28.380 1.00 0.00 C ATOM 698 O GLY A 49 17.091 26.649 -27.831 1.00 0.00 O ATOM 0 H GLY A 49 19.552 28.089 -28.762 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.036 26.229 -30.018 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.752 25.173 -28.817 1.00 0.00 H new ATOM 702 N ASN A 50 17.299 24.515 -28.512 1.00 0.00 N ATOM 703 CA ASN A 50 15.992 24.118 -28.006 1.00 0.00 C ATOM 704 C ASN A 50 16.050 23.841 -26.506 1.00 0.00 C ATOM 705 O ASN A 50 15.068 23.396 -25.910 1.00 0.00 O ATOM 706 CB ASN A 50 15.492 22.876 -28.746 1.00 0.00 C ATOM 707 CG ASN A 50 14.189 23.125 -29.478 1.00 0.00 C ATOM 708 OD1 ASN A 50 13.941 24.225 -29.974 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.346 22.101 -29.550 1.00 0.00 N ATOM 0 H ASN A 50 17.824 23.766 -28.964 1.00 0.00 H new ATOM 0 HA ASN A 50 15.298 24.940 -28.179 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.250 22.552 -29.459 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.356 22.062 -28.034 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.453 22.209 -30.030 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.592 21.207 -29.125 1.00 0.00 H new ATOM 716 N SER A 51 17.206 24.103 -25.902 1.00 0.00 N ATOM 717 CA SER A 51 17.387 23.876 -24.473 1.00 0.00 C ATOM 718 C SER A 51 17.837 25.152 -23.763 1.00 0.00 C ATOM 719 O SER A 51 17.630 25.305 -22.560 1.00 0.00 O ATOM 720 CB SER A 51 18.402 22.758 -24.239 1.00 0.00 C ATOM 721 OG SER A 51 17.814 21.485 -24.444 1.00 0.00 O ATOM 0 H SER A 51 18.029 24.472 -26.379 1.00 0.00 H new ATOM 0 HA SER A 51 16.425 23.577 -24.056 1.00 0.00 H new ATOM 0 HB2 SER A 51 19.249 22.884 -24.914 1.00 0.00 H new ATOM 0 HB3 SER A 51 18.792 22.823 -23.223 1.00 0.00 H new ATOM 0 HG SER A 51 17.428 21.444 -25.344 1.00 0.00 H new ATOM 727 N ASN A 52 18.450 26.066 -24.513 1.00 0.00 N ATOM 728 CA ASN A 52 18.920 27.326 -23.958 1.00 0.00 C ATOM 729 C ASN A 52 20.147 27.115 -23.076 1.00 0.00 C ATOM 730 O ASN A 52 20.352 27.833 -22.098 1.00 0.00 O ATOM 731 CB ASN A 52 17.806 27.996 -23.160 1.00 0.00 C ATOM 732 CG ASN A 52 18.209 29.360 -22.634 1.00 0.00 C ATOM 733 OD1 ASN A 52 18.291 30.329 -23.388 1.00 0.00 O ATOM 734 ND2 ASN A 52 18.463 29.442 -21.333 1.00 0.00 N ATOM 0 H ASN A 52 18.632 25.953 -25.510 1.00 0.00 H new ATOM 0 HA ASN A 52 19.206 27.975 -24.785 1.00 0.00 H new ATOM 0 HB2 ASN A 52 16.923 28.100 -23.791 1.00 0.00 H new ATOM 0 HB3 ASN A 52 17.527 27.355 -22.324 1.00 0.00 H new ATOM 0 HD21 ASN A 52 18.738 30.334 -20.922 1.00 0.00 H new ATOM 0 HD22 ASN A 52 18.383 28.613 -20.744 1.00 0.00 H new ATOM 741 N GLY A 53 20.964 26.128 -23.434 1.00 0.00 N ATOM 742 CA GLY A 53 22.164 25.844 -22.669 1.00 0.00 C ATOM 743 C GLY A 53 21.899 24.960 -21.466 1.00 0.00 C ATOM 744 O GLY A 53 21.195 25.357 -20.538 1.00 0.00 O ATOM 0 H GLY A 53 20.816 25.521 -24.240 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.895 25.360 -23.316 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.606 26.782 -22.334 1.00 0.00 H new ATOM 748 N GLU A 54 22.468 23.759 -21.481 1.00 0.00 N ATOM 749 CA GLU A 54 22.295 22.816 -20.381 1.00 0.00 C ATOM 750 C GLU A 54 23.131 21.557 -20.609 1.00 0.00 C ATOM 751 O GLU A 54 23.588 21.295 -21.721 1.00 0.00 O ATOM 752 CB GLU A 54 20.811 22.459 -20.211 1.00 0.00 C ATOM 753 CG GLU A 54 20.414 21.118 -20.812 1.00 0.00 C ATOM 754 CD GLU A 54 19.018 20.687 -20.405 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.887 20.008 -19.363 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.057 21.028 -21.125 1.00 0.00 O ATOM 0 H GLU A 54 23.053 23.415 -22.243 1.00 0.00 H new ATOM 0 HA GLU A 54 22.643 23.291 -19.464 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.571 22.452 -19.148 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.207 23.242 -20.669 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.469 21.181 -21.899 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.130 20.358 -20.500 1.00 0.00 H new ATOM 763 N PRO A 55 23.338 20.763 -19.549 1.00 0.00 N ATOM 764 CA PRO A 55 24.121 19.524 -19.625 1.00 0.00 C ATOM 765 C PRO A 55 23.524 18.523 -20.608 1.00 0.00 C ATOM 766 O PRO A 55 22.569 17.815 -20.286 1.00 0.00 O ATOM 767 CB PRO A 55 24.065 18.969 -18.195 1.00 0.00 C ATOM 768 CG PRO A 55 22.905 19.654 -17.555 1.00 0.00 C ATOM 769 CD PRO A 55 22.825 21.009 -18.194 1.00 0.00 C ATOM 0 HA PRO A 55 25.134 19.707 -19.982 1.00 0.00 H new ATOM 0 HB2 PRO A 55 23.931 17.887 -18.197 1.00 0.00 H new ATOM 0 HB3 PRO A 55 24.990 19.175 -17.656 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.984 19.093 -17.713 1.00 0.00 H new ATOM 0 HG3 PRO A 55 23.047 19.738 -16.477 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.803 21.388 -18.211 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.428 21.744 -17.661 1.00 0.00 H new ATOM 777 N CYS A 56 24.094 18.468 -21.807 1.00 0.00 N ATOM 778 CA CYS A 56 23.617 17.552 -22.835 1.00 0.00 C ATOM 779 C CYS A 56 23.551 16.125 -22.302 1.00 0.00 C ATOM 780 O CYS A 56 23.827 15.877 -21.128 1.00 0.00 O ATOM 781 CB CYS A 56 24.523 17.615 -24.067 1.00 0.00 C ATOM 782 SG CYS A 56 25.053 19.300 -24.510 1.00 0.00 S ATOM 0 H CYS A 56 24.885 19.046 -22.090 1.00 0.00 H new ATOM 0 HA CYS A 56 22.611 17.858 -23.122 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.407 17.003 -23.887 1.00 0.00 H new ATOM 0 HB3 CYS A 56 23.997 17.176 -24.915 1.00 0.00 H new ATOM 787 N VAL A 57 23.172 15.191 -23.167 1.00 0.00 N ATOM 788 CA VAL A 57 23.058 13.791 -22.778 1.00 0.00 C ATOM 789 C VAL A 57 23.773 12.878 -23.770 1.00 0.00 C ATOM 790 O VAL A 57 23.154 12.011 -24.389 1.00 0.00 O ATOM 791 CB VAL A 57 21.582 13.365 -22.675 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.957 13.257 -24.057 1.00 0.00 C ATOM 793 CG2 VAL A 57 21.454 12.051 -21.921 1.00 0.00 C ATOM 0 H VAL A 57 22.939 15.378 -24.142 1.00 0.00 H new ATOM 0 HA VAL A 57 23.531 13.693 -21.801 1.00 0.00 H new ATOM 0 HB VAL A 57 21.043 14.131 -22.117 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.914 12.955 -23.962 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.011 14.224 -24.557 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.498 12.515 -24.644 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.403 11.768 -21.859 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.009 11.274 -22.447 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.858 12.168 -20.915 1.00 0.00 H new ATOM 803 N LEU A 58 25.077 13.071 -23.918 1.00 0.00 N ATOM 804 CA LEU A 58 25.859 12.256 -24.841 1.00 0.00 C ATOM 805 C LEU A 58 26.851 11.367 -24.100 1.00 0.00 C ATOM 806 O LEU A 58 27.117 11.561 -22.913 1.00 0.00 O ATOM 807 CB LEU A 58 26.607 13.133 -25.850 1.00 0.00 C ATOM 808 CG LEU A 58 26.730 14.611 -25.476 1.00 0.00 C ATOM 809 CD1 LEU A 58 25.359 15.260 -25.409 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.468 14.770 -24.155 1.00 0.00 C ATOM 0 H LEU A 58 25.613 13.779 -23.416 1.00 0.00 H new ATOM 0 HA LEU A 58 25.157 11.618 -25.377 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.609 12.726 -25.986 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.101 13.061 -26.813 1.00 0.00 H new ATOM 0 HG LEU A 58 27.308 15.115 -26.251 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.467 16.311 -25.142 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.871 15.181 -26.380 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.754 14.754 -24.657 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.545 15.828 -23.906 1.00 0.00 H new ATOM 0 HD22 LEU A 58 26.921 14.251 -23.368 1.00 0.00 H new ATOM 0 HD23 LEU A 58 28.468 14.344 -24.243 1.00 0.00 H new ATOM 822 N PRO A 59 27.409 10.371 -24.805 1.00 0.00 N ATOM 823 CA PRO A 59 27.098 10.133 -26.216 1.00 0.00 C ATOM 824 C PRO A 59 25.677 9.622 -26.417 1.00 0.00 C ATOM 825 O PRO A 59 25.201 8.762 -25.676 1.00 0.00 O ATOM 826 CB PRO A 59 28.105 9.060 -26.644 1.00 0.00 C ATOM 827 CG PRO A 59 29.108 8.982 -25.539 1.00 0.00 C ATOM 828 CD PRO A 59 28.386 9.404 -24.293 1.00 0.00 C ATOM 0 HA PRO A 59 27.165 11.052 -26.798 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.613 8.099 -26.794 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.582 9.325 -27.588 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.500 7.970 -25.439 1.00 0.00 H new ATOM 0 HG3 PRO A 59 29.958 9.635 -25.737 1.00 0.00 H new ATOM 0 HD2 PRO A 59 27.902 8.561 -23.799 1.00 0.00 H new ATOM 0 HD3 PRO A 59 29.061 9.855 -23.566 1.00 0.00 H new ATOM 836 N PHE A 60 25.009 10.156 -27.431 1.00 0.00 N ATOM 837 CA PHE A 60 23.644 9.760 -27.745 1.00 0.00 C ATOM 838 C PHE A 60 23.590 9.075 -29.103 1.00 0.00 C ATOM 839 O PHE A 60 24.619 8.869 -29.746 1.00 0.00 O ATOM 840 CB PHE A 60 22.723 10.980 -27.742 1.00 0.00 C ATOM 841 CG PHE A 60 23.295 12.158 -28.477 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.360 12.164 -29.860 1.00 0.00 C ATOM 843 CD2 PHE A 60 23.770 13.257 -27.782 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.888 13.246 -30.539 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.299 14.343 -28.453 1.00 0.00 C ATOM 846 CZ PHE A 60 24.359 14.338 -29.834 1.00 0.00 C ATOM 0 H PHE A 60 25.393 10.868 -28.052 1.00 0.00 H new ATOM 0 HA PHE A 60 23.305 9.059 -26.982 1.00 0.00 H new ATOM 0 HB2 PHE A 60 21.769 10.707 -28.193 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.517 11.269 -26.711 1.00 0.00 H new ATOM 0 HD1 PHE A 60 22.994 11.313 -30.415 1.00 0.00 H new ATOM 0 HD2 PHE A 60 23.727 13.266 -26.703 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.933 13.238 -31.618 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.665 15.195 -27.899 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.773 15.185 -30.361 1.00 0.00 H new ATOM 856 N THR A 61 22.387 8.725 -29.538 1.00 0.00 N ATOM 857 CA THR A 61 22.208 8.064 -30.823 1.00 0.00 C ATOM 858 C THR A 61 21.168 8.784 -31.673 1.00 0.00 C ATOM 859 O THR A 61 20.011 8.919 -31.276 1.00 0.00 O ATOM 860 CB THR A 61 21.783 6.595 -30.646 1.00 0.00 C ATOM 861 OG1 THR A 61 22.120 6.144 -29.327 1.00 0.00 O ATOM 862 CG2 THR A 61 22.462 5.708 -31.678 1.00 0.00 C ATOM 0 H THR A 61 21.523 8.887 -29.021 1.00 0.00 H new ATOM 0 HA THR A 61 23.172 8.096 -31.330 1.00 0.00 H new ATOM 0 HB THR A 61 20.704 6.531 -30.788 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.845 5.209 -29.221 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.147 4.675 -31.534 1.00 0.00 H new ATOM 0 HG22 THR A 61 22.183 6.036 -32.679 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.544 5.777 -31.562 1.00 0.00 H new ATOM 870 N TYR A 62 21.588 9.241 -32.847 1.00 0.00 N ATOM 871 CA TYR A 62 20.695 9.946 -33.756 1.00 0.00 C ATOM 872 C TYR A 62 20.902 9.472 -35.191 1.00 0.00 C ATOM 873 O TYR A 62 22.032 9.392 -35.673 1.00 0.00 O ATOM 874 CB TYR A 62 20.926 11.454 -33.665 1.00 0.00 C ATOM 875 CG TYR A 62 20.189 12.242 -34.723 1.00 0.00 C ATOM 876 CD1 TYR A 62 18.802 12.323 -34.717 1.00 0.00 C ATOM 877 CD2 TYR A 62 20.882 12.904 -35.727 1.00 0.00 C ATOM 878 CE1 TYR A 62 18.127 13.042 -35.685 1.00 0.00 C ATOM 879 CE2 TYR A 62 20.213 13.624 -36.697 1.00 0.00 C ATOM 880 CZ TYR A 62 18.837 13.691 -36.673 1.00 0.00 C ATOM 881 OH TYR A 62 18.169 14.408 -37.638 1.00 0.00 O ATOM 0 H TYR A 62 22.542 9.135 -33.191 1.00 0.00 H new ATOM 0 HA TYR A 62 19.668 9.727 -33.463 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.614 11.803 -32.680 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.994 11.656 -33.751 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.243 11.816 -33.944 1.00 0.00 H new ATOM 0 HD2 TYR A 62 21.961 12.855 -35.750 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.048 13.095 -35.668 1.00 0.00 H new ATOM 0 HE2 TYR A 62 20.767 14.133 -37.472 1.00 0.00 H new ATOM 0 HH TYR A 62 17.334 14.761 -37.264 1.00 0.00 H new ATOM 891 N ASN A 63 19.803 9.155 -35.866 1.00 0.00 N ATOM 892 CA ASN A 63 19.865 8.683 -37.244 1.00 0.00 C ATOM 893 C ASN A 63 20.546 7.320 -37.323 1.00 0.00 C ATOM 894 O ASN A 63 20.831 6.822 -38.411 1.00 0.00 O ATOM 895 CB ASN A 63 20.610 9.690 -38.120 1.00 0.00 C ATOM 896 CG ASN A 63 19.857 10.014 -39.395 1.00 0.00 C ATOM 897 OD1 ASN A 63 19.508 9.121 -40.166 1.00 0.00 O ATOM 898 ND2 ASN A 63 19.603 11.297 -39.621 1.00 0.00 N ATOM 0 H ASN A 63 18.860 9.216 -35.482 1.00 0.00 H new ATOM 0 HA ASN A 63 18.844 8.581 -37.611 1.00 0.00 H new ATOM 0 HB2 ASN A 63 20.774 10.608 -37.555 1.00 0.00 H new ATOM 0 HB3 ASN A 63 21.592 9.291 -38.373 1.00 0.00 H new ATOM 0 HD21 ASN A 63 19.099 11.577 -40.462 1.00 0.00 H new ATOM 0 HD22 ASN A 63 19.912 12.003 -38.953 1.00 0.00 H new ATOM 905 N GLY A 64 20.802 6.722 -36.163 1.00 0.00 N ATOM 906 CA GLY A 64 21.443 5.422 -36.126 1.00 0.00 C ATOM 907 C GLY A 64 22.895 5.496 -35.691 1.00 0.00 C ATOM 908 O GLY A 64 23.497 4.479 -35.348 1.00 0.00 O ATOM 0 H GLY A 64 20.577 7.115 -35.249 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.896 4.771 -35.443 1.00 0.00 H new ATOM 0 HA3 GLY A 64 21.387 4.966 -37.114 1.00 0.00 H new ATOM 912 N ARG A 65 23.459 6.699 -35.705 1.00 0.00 N ATOM 913 CA ARG A 65 24.850 6.890 -35.307 1.00 0.00 C ATOM 914 C ARG A 65 24.937 7.352 -33.856 1.00 0.00 C ATOM 915 O ARG A 65 23.955 7.296 -33.117 1.00 0.00 O ATOM 916 CB ARG A 65 25.538 7.901 -36.227 1.00 0.00 C ATOM 917 CG ARG A 65 24.870 9.265 -36.251 1.00 0.00 C ATOM 918 CD ARG A 65 24.130 9.496 -37.558 1.00 0.00 C ATOM 919 NE ARG A 65 24.988 10.110 -38.568 1.00 0.00 N ATOM 920 CZ ARG A 65 24.846 9.916 -39.875 1.00 0.00 C ATOM 921 NH1 ARG A 65 23.871 9.142 -40.334 1.00 0.00 N ATOM 922 NH2 ARG A 65 25.679 10.498 -40.728 1.00 0.00 N ATOM 0 H ARG A 65 22.978 7.553 -35.986 1.00 0.00 H new ATOM 0 HA ARG A 65 25.363 5.933 -35.396 1.00 0.00 H new ATOM 0 HB2 ARG A 65 26.574 8.020 -35.910 1.00 0.00 H new ATOM 0 HB3 ARG A 65 25.559 7.500 -37.240 1.00 0.00 H new ATOM 0 HG2 ARG A 65 24.173 9.345 -35.417 1.00 0.00 H new ATOM 0 HG3 ARG A 65 25.622 10.043 -36.114 1.00 0.00 H new ATOM 0 HD2 ARG A 65 23.750 8.546 -37.933 1.00 0.00 H new ATOM 0 HD3 ARG A 65 23.266 10.136 -37.378 1.00 0.00 H new ATOM 0 HE ARG A 65 25.739 10.723 -38.252 1.00 0.00 H new ATOM 0 HH11 ARG A 65 23.227 8.693 -39.683 1.00 0.00 H new ATOM 0 HH12 ARG A 65 23.766 8.996 -41.338 1.00 0.00 H new ATOM 0 HH21 ARG A 65 26.430 11.095 -40.381 1.00 0.00 H new ATOM 0 HH22 ARG A 65 25.569 10.348 -41.731 1.00 0.00 H new ATOM 936 N THR A 66 26.120 7.803 -33.451 1.00 0.00 N ATOM 937 CA THR A 66 26.329 8.266 -32.086 1.00 0.00 C ATOM 938 C THR A 66 27.242 9.488 -32.049 1.00 0.00 C ATOM 939 O THR A 66 28.148 9.623 -32.872 1.00 0.00 O ATOM 940 CB THR A 66 26.936 7.157 -31.206 1.00 0.00 C ATOM 941 OG1 THR A 66 26.116 5.983 -31.262 1.00 0.00 O ATOM 942 CG2 THR A 66 27.067 7.620 -29.763 1.00 0.00 C ATOM 0 H THR A 66 26.946 7.857 -34.048 1.00 0.00 H new ATOM 0 HA THR A 66 25.350 8.539 -31.692 1.00 0.00 H new ATOM 0 HB THR A 66 27.930 6.925 -31.588 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.509 5.282 -30.701 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.498 6.819 -29.162 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.715 8.496 -29.719 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.082 7.877 -29.373 1.00 0.00 H new ATOM 950 N PHE A 67 26.999 10.375 -31.089 1.00 0.00 N ATOM 951 CA PHE A 67 27.802 11.585 -30.946 1.00 0.00 C ATOM 952 C PHE A 67 28.128 11.852 -29.480 1.00 0.00 C ATOM 953 O PHE A 67 27.233 12.054 -28.660 1.00 0.00 O ATOM 954 CB PHE A 67 27.067 12.789 -31.540 1.00 0.00 C ATOM 955 CG PHE A 67 26.251 12.461 -32.758 1.00 0.00 C ATOM 956 CD1 PHE A 67 25.209 11.551 -32.689 1.00 0.00 C ATOM 957 CD2 PHE A 67 26.525 13.070 -33.973 1.00 0.00 C ATOM 958 CE1 PHE A 67 24.455 11.254 -33.808 1.00 0.00 C ATOM 959 CE2 PHE A 67 25.775 12.776 -35.095 1.00 0.00 C ATOM 960 CZ PHE A 67 24.739 11.867 -35.013 1.00 0.00 C ATOM 0 H PHE A 67 26.254 10.279 -30.399 1.00 0.00 H new ATOM 0 HA PHE A 67 28.735 11.434 -31.489 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.412 13.215 -30.779 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.796 13.557 -31.799 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.983 11.068 -31.750 1.00 0.00 H new ATOM 0 HD2 PHE A 67 27.334 13.782 -34.043 1.00 0.00 H new ATOM 0 HE1 PHE A 67 23.644 10.543 -33.741 1.00 0.00 H new ATOM 0 HE2 PHE A 67 25.999 13.257 -36.036 1.00 0.00 H new ATOM 0 HZ PHE A 67 24.152 11.636 -35.889 1.00 0.00 H new ATOM 970 N TYR A 68 29.418 11.857 -29.159 1.00 0.00 N ATOM 971 CA TYR A 68 29.868 12.106 -27.795 1.00 0.00 C ATOM 972 C TYR A 68 29.642 13.564 -27.410 1.00 0.00 C ATOM 973 O TYR A 68 29.736 13.930 -26.238 1.00 0.00 O ATOM 974 CB TYR A 68 31.351 11.754 -27.652 1.00 0.00 C ATOM 975 CG TYR A 68 31.610 10.299 -27.328 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.859 9.291 -27.917 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.608 9.934 -26.433 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.093 7.960 -27.624 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.849 8.607 -26.133 1.00 0.00 C ATOM 980 CZ TYR A 68 32.088 7.624 -26.731 1.00 0.00 C ATOM 981 OH TYR A 68 32.322 6.299 -26.437 1.00 0.00 O ATOM 0 H TYR A 68 30.171 11.691 -29.827 1.00 0.00 H new ATOM 0 HA TYR A 68 29.286 11.474 -27.124 1.00 0.00 H new ATOM 0 HB2 TYR A 68 31.865 12.006 -28.580 1.00 0.00 H new ATOM 0 HB3 TYR A 68 31.787 12.373 -26.868 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.078 9.551 -28.616 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.206 10.701 -25.963 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.500 7.188 -28.092 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.629 8.341 -25.434 1.00 0.00 H new ATOM 0 HH TYR A 68 33.056 6.232 -25.792 1.00 0.00 H new ATOM 991 N SER A 69 29.348 14.393 -28.406 1.00 0.00 N ATOM 992 CA SER A 69 29.111 15.811 -28.173 1.00 0.00 C ATOM 993 C SER A 69 28.138 16.380 -29.200 1.00 0.00 C ATOM 994 O SER A 69 27.475 15.636 -29.922 1.00 0.00 O ATOM 995 CB SER A 69 30.430 16.586 -28.219 1.00 0.00 C ATOM 996 OG SER A 69 30.254 17.917 -27.765 1.00 0.00 O ATOM 0 H SER A 69 29.268 14.106 -29.382 1.00 0.00 H new ATOM 0 HA SER A 69 28.668 15.919 -27.183 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.173 16.083 -27.601 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.816 16.594 -29.238 1.00 0.00 H new ATOM 0 HG SER A 69 31.111 18.391 -27.802 1.00 0.00 H new ATOM 1002 N CYS A 70 28.058 17.704 -29.254 1.00 0.00 N ATOM 1003 CA CYS A 70 27.168 18.384 -30.187 1.00 0.00 C ATOM 1004 C CYS A 70 27.371 17.869 -31.608 1.00 0.00 C ATOM 1005 O CYS A 70 28.277 17.077 -31.869 1.00 0.00 O ATOM 1006 CB CYS A 70 27.410 19.891 -30.138 1.00 0.00 C ATOM 1007 SG CYS A 70 27.671 20.548 -28.457 1.00 0.00 S ATOM 0 H CYS A 70 28.601 18.330 -28.660 1.00 0.00 H new ATOM 0 HA CYS A 70 26.140 18.176 -29.891 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.281 20.128 -30.749 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.557 20.400 -30.587 1.00 0.00 H new ATOM 1012 N THR A 71 26.525 18.326 -32.525 1.00 0.00 N ATOM 1013 CA THR A 71 26.614 17.912 -33.920 1.00 0.00 C ATOM 1014 C THR A 71 25.547 18.593 -34.768 1.00 0.00 C ATOM 1015 O THR A 71 24.591 19.162 -34.242 1.00 0.00 O ATOM 1016 CB THR A 71 26.465 16.386 -34.064 1.00 0.00 C ATOM 1017 OG1 THR A 71 26.966 15.963 -35.339 1.00 0.00 O ATOM 1018 CG2 THR A 71 25.009 15.969 -33.923 1.00 0.00 C ATOM 0 H THR A 71 25.770 18.983 -32.327 1.00 0.00 H new ATOM 0 HA THR A 71 27.601 18.211 -34.273 1.00 0.00 H new ATOM 0 HB THR A 71 27.042 15.910 -33.271 1.00 0.00 H new ATOM 0 HG1 THR A 71 26.857 14.993 -35.428 1.00 0.00 H new ATOM 0 HG21 THR A 71 24.929 14.887 -34.028 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.639 16.267 -32.942 1.00 0.00 H new ATOM 0 HG23 THR A 71 24.415 16.454 -34.698 1.00 0.00 H new ATOM 1026 N THR A 72 25.714 18.522 -36.083 1.00 0.00 N ATOM 1027 CA THR A 72 24.763 19.124 -37.007 1.00 0.00 C ATOM 1028 C THR A 72 24.347 18.127 -38.082 1.00 0.00 C ATOM 1029 O THR A 72 24.819 18.191 -39.218 1.00 0.00 O ATOM 1030 CB THR A 72 25.350 20.376 -37.684 1.00 0.00 C ATOM 1031 OG1 THR A 72 26.713 20.140 -38.054 1.00 0.00 O ATOM 1032 CG2 THR A 72 25.275 21.577 -36.755 1.00 0.00 C ATOM 0 H THR A 72 26.500 18.053 -36.533 1.00 0.00 H new ATOM 0 HA THR A 72 23.891 19.415 -36.422 1.00 0.00 H new ATOM 0 HB THR A 72 24.762 20.588 -38.577 1.00 0.00 H new ATOM 0 HG1 THR A 72 26.757 19.384 -38.676 1.00 0.00 H new ATOM 0 HG21 THR A 72 25.695 22.450 -37.254 1.00 0.00 H new ATOM 0 HG22 THR A 72 24.234 21.773 -36.497 1.00 0.00 H new ATOM 0 HG23 THR A 72 25.842 21.371 -35.847 1.00 0.00 H new ATOM 1040 N GLU A 73 23.466 17.200 -37.717 1.00 0.00 N ATOM 1041 CA GLU A 73 22.995 16.186 -38.654 1.00 0.00 C ATOM 1042 C GLU A 73 21.472 16.075 -38.634 1.00 0.00 C ATOM 1043 O GLU A 73 20.900 15.187 -39.268 1.00 0.00 O ATOM 1044 CB GLU A 73 23.621 14.831 -38.319 1.00 0.00 C ATOM 1045 CG GLU A 73 25.039 14.669 -38.843 1.00 0.00 C ATOM 1046 CD GLU A 73 25.080 14.151 -40.267 1.00 0.00 C ATOM 1047 OE1 GLU A 73 24.058 13.603 -40.730 1.00 0.00 O ATOM 1048 OE2 GLU A 73 26.135 14.292 -40.921 1.00 0.00 O ATOM 0 H GLU A 73 23.065 17.130 -36.782 1.00 0.00 H new ATOM 0 HA GLU A 73 23.299 16.488 -39.656 1.00 0.00 H new ATOM 0 HB2 GLU A 73 23.625 14.700 -37.237 1.00 0.00 H new ATOM 0 HB3 GLU A 73 22.997 14.039 -38.734 1.00 0.00 H new ATOM 0 HG2 GLU A 73 25.552 15.630 -38.795 1.00 0.00 H new ATOM 0 HG3 GLU A 73 25.585 13.983 -38.195 1.00 0.00 H new ATOM 1055 N GLY A 74 20.820 16.975 -37.906 1.00 0.00 N ATOM 1056 CA GLY A 74 19.369 16.946 -37.823 1.00 0.00 C ATOM 1057 C GLY A 74 18.731 18.300 -38.072 1.00 0.00 C ATOM 1058 O GLY A 74 17.509 18.433 -38.004 1.00 0.00 O ATOM 0 H GLY A 74 21.267 17.722 -37.374 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.984 16.230 -38.549 1.00 0.00 H new ATOM 0 HA3 GLY A 74 19.075 16.588 -36.836 1.00 0.00 H new ATOM 1122 N HIS A 79 24.090 25.089 -37.276 1.00 0.00 N ATOM 1123 CA HIS A 79 24.514 25.343 -35.905 1.00 0.00 C ATOM 1124 C HIS A 79 24.561 24.051 -35.100 1.00 0.00 C ATOM 1125 O HIS A 79 23.544 23.383 -34.918 1.00 0.00 O ATOM 1126 CB HIS A 79 23.568 26.338 -35.233 1.00 0.00 C ATOM 1127 CG HIS A 79 23.139 27.456 -36.130 1.00 0.00 C ATOM 1128 ND1 HIS A 79 23.780 27.758 -37.313 1.00 0.00 N ATOM 1129 CD2 HIS A 79 22.124 28.345 -36.017 1.00 0.00 C ATOM 1130 CE1 HIS A 79 23.179 28.785 -37.888 1.00 0.00 C ATOM 1131 NE2 HIS A 79 22.172 29.160 -37.121 1.00 0.00 N ATOM 0 HA HIS A 79 25.518 25.767 -35.936 1.00 0.00 H new ATOM 0 HB2 HIS A 79 22.684 25.806 -34.882 1.00 0.00 H new ATOM 0 HB3 HIS A 79 24.059 26.756 -34.354 1.00 0.00 H new ATOM 0 HD1 HIS A 79 24.592 27.265 -37.686 1.00 0.00 H new ATOM 0 HD2 HIS A 79 21.410 28.402 -35.209 1.00 0.00 H new ATOM 0 HE1 HIS A 79 23.463 29.240 -38.825 1.00 0.00 H new ATOM 1140 N LEU A 80 25.748 23.708 -34.611 1.00 0.00 N ATOM 1141 CA LEU A 80 25.923 22.499 -33.817 1.00 0.00 C ATOM 1142 C LEU A 80 24.868 22.428 -32.721 1.00 0.00 C ATOM 1143 O LEU A 80 24.461 23.453 -32.174 1.00 0.00 O ATOM 1144 CB LEU A 80 27.319 22.473 -33.191 1.00 0.00 C ATOM 1145 CG LEU A 80 28.383 21.734 -34.002 1.00 0.00 C ATOM 1146 CD1 LEU A 80 28.760 22.531 -35.239 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.608 21.466 -33.143 1.00 0.00 C ATOM 0 H LEU A 80 26.601 24.249 -34.751 1.00 0.00 H new ATOM 0 HA LEU A 80 25.811 21.637 -34.474 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.650 23.500 -33.038 1.00 0.00 H new ATOM 0 HB3 LEU A 80 27.249 22.011 -32.206 1.00 0.00 H new ATOM 0 HG LEU A 80 27.972 20.778 -34.325 1.00 0.00 H new ATOM 0 HD11 LEU A 80 29.519 21.989 -35.804 1.00 0.00 H new ATOM 0 HD12 LEU A 80 27.877 22.675 -35.862 1.00 0.00 H new ATOM 0 HD13 LEU A 80 29.155 23.502 -34.940 1.00 0.00 H new ATOM 0 HD21 LEU A 80 30.358 20.939 -33.733 1.00 0.00 H new ATOM 0 HD22 LEU A 80 30.021 22.412 -32.793 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.325 20.854 -32.286 1.00 0.00 H new ATOM 1159 N TRP A 81 24.424 21.219 -32.402 1.00 0.00 N ATOM 1160 CA TRP A 81 23.414 21.037 -31.367 1.00 0.00 C ATOM 1161 C TRP A 81 23.670 19.769 -30.560 1.00 0.00 C ATOM 1162 O TRP A 81 24.347 18.852 -31.023 1.00 0.00 O ATOM 1163 CB TRP A 81 22.018 20.988 -31.988 1.00 0.00 C ATOM 1164 CG TRP A 81 21.852 19.888 -32.991 1.00 0.00 C ATOM 1165 CD1 TRP A 81 22.043 19.973 -34.340 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.462 18.536 -32.725 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.794 18.758 -34.929 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.436 17.858 -33.960 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.133 17.830 -31.564 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 21.094 16.512 -34.064 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.793 16.494 -31.670 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.777 15.848 -32.912 1.00 0.00 C ATOM 0 H TRP A 81 24.744 20.356 -32.841 1.00 0.00 H new ATOM 0 HA TRP A 81 23.474 21.889 -30.690 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.280 20.862 -31.196 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.809 21.943 -32.469 1.00 0.00 H new ATOM 0 HD1 TRP A 81 22.346 20.866 -34.867 1.00 0.00 H new ATOM 0 HE1 TRP A 81 21.864 18.558 -35.927 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.144 18.320 -30.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 21.080 16.011 -35.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.535 15.939 -30.780 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.509 14.803 -32.961 1.00 0.00 H new ATOM 1183 N CYS A 82 23.119 19.726 -29.351 1.00 0.00 N ATOM 1184 CA CYS A 82 23.280 18.572 -28.475 1.00 0.00 C ATOM 1185 C CYS A 82 21.963 18.225 -27.791 1.00 0.00 C ATOM 1186 O CYS A 82 21.166 19.108 -27.474 1.00 0.00 O ATOM 1187 CB CYS A 82 24.359 18.846 -27.426 1.00 0.00 C ATOM 1188 SG CYS A 82 23.784 19.829 -26.003 1.00 0.00 S ATOM 0 H CYS A 82 22.556 20.479 -28.955 1.00 0.00 H new ATOM 0 HA CYS A 82 23.588 17.723 -29.085 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.747 17.894 -27.063 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.189 19.368 -27.902 1.00 0.00 H new ATOM 1193 N SER A 83 21.737 16.935 -27.568 1.00 0.00 N ATOM 1194 CA SER A 83 20.510 16.473 -26.926 1.00 0.00 C ATOM 1195 C SER A 83 20.618 16.567 -25.409 1.00 0.00 C ATOM 1196 O SER A 83 21.644 16.211 -24.827 1.00 0.00 O ATOM 1197 CB SER A 83 20.201 15.033 -27.339 1.00 0.00 C ATOM 1198 OG SER A 83 19.710 14.281 -26.243 1.00 0.00 O ATOM 0 H SER A 83 22.386 16.190 -27.822 1.00 0.00 H new ATOM 0 HA SER A 83 19.696 17.119 -27.254 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.465 15.032 -28.143 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.103 14.563 -27.732 1.00 0.00 H new ATOM 0 HG SER A 83 18.749 14.126 -26.357 1.00 0.00 H new ATOM 1204 N THR A 84 19.553 17.041 -24.771 1.00 0.00 N ATOM 1205 CA THR A 84 19.533 17.172 -23.320 1.00 0.00 C ATOM 1206 C THR A 84 18.783 16.010 -22.677 1.00 0.00 C ATOM 1207 O THR A 84 18.588 15.978 -21.462 1.00 0.00 O ATOM 1208 CB THR A 84 18.880 18.495 -22.883 1.00 0.00 C ATOM 1209 OG1 THR A 84 17.508 18.521 -23.290 1.00 0.00 O ATOM 1210 CG2 THR A 84 19.614 19.685 -23.483 1.00 0.00 C ATOM 0 H THR A 84 18.695 17.340 -25.235 1.00 0.00 H new ATOM 0 HA THR A 84 20.571 17.163 -22.986 1.00 0.00 H new ATOM 0 HB THR A 84 18.938 18.562 -21.797 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.052 19.271 -22.855 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.134 20.609 -23.160 1.00 0.00 H new ATOM 0 HG22 THR A 84 20.651 19.679 -23.149 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.583 19.621 -24.571 1.00 0.00 H new ATOM 1218 N THR A 85 18.366 15.052 -23.501 1.00 0.00 N ATOM 1219 CA THR A 85 17.642 13.885 -23.016 1.00 0.00 C ATOM 1220 C THR A 85 18.010 12.644 -23.829 1.00 0.00 C ATOM 1221 O THR A 85 18.083 12.692 -25.058 1.00 0.00 O ATOM 1222 CB THR A 85 16.110 14.136 -23.050 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.652 14.481 -21.737 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.324 12.930 -23.554 1.00 0.00 C ATOM 0 H THR A 85 18.519 15.063 -24.509 1.00 0.00 H new ATOM 0 HA THR A 85 17.933 13.709 -21.980 1.00 0.00 H new ATOM 0 HB THR A 85 15.936 14.954 -23.749 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.789 14.048 -21.567 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.259 13.164 -23.556 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.643 12.685 -24.567 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.507 12.077 -22.900 1.00 0.00 H new ATOM 1232 N SER A 86 18.244 11.535 -23.134 1.00 0.00 N ATOM 1233 CA SER A 86 18.605 10.286 -23.789 1.00 0.00 C ATOM 1234 C SER A 86 17.722 10.047 -25.005 1.00 0.00 C ATOM 1235 O SER A 86 18.215 9.853 -26.116 1.00 0.00 O ATOM 1236 CB SER A 86 18.481 9.117 -22.811 1.00 0.00 C ATOM 1237 OG SER A 86 19.758 8.643 -22.416 1.00 0.00 O ATOM 0 H SER A 86 18.190 11.478 -22.117 1.00 0.00 H new ATOM 0 HA SER A 86 19.641 10.358 -24.120 1.00 0.00 H new ATOM 0 HB2 SER A 86 17.919 9.433 -21.932 1.00 0.00 H new ATOM 0 HB3 SER A 86 17.917 8.308 -23.276 1.00 0.00 H new ATOM 0 HG SER A 86 19.651 7.897 -21.790 1.00 0.00 H new ATOM 1243 N ASN A 87 16.414 10.069 -24.786 1.00 0.00 N ATOM 1244 CA ASN A 87 15.455 9.861 -25.862 1.00 0.00 C ATOM 1245 C ASN A 87 15.196 11.164 -26.611 1.00 0.00 C ATOM 1246 O ASN A 87 14.187 11.830 -26.385 1.00 0.00 O ATOM 1247 CB ASN A 87 14.144 9.312 -25.300 1.00 0.00 C ATOM 1248 CG ASN A 87 13.790 7.956 -25.876 1.00 0.00 C ATOM 1249 OD1 ASN A 87 14.592 7.340 -26.578 1.00 0.00 O ATOM 1250 ND2 ASN A 87 12.584 7.483 -25.584 1.00 0.00 N ATOM 0 H ASN A 87 15.992 10.229 -23.871 1.00 0.00 H new ATOM 0 HA ASN A 87 15.874 9.137 -26.561 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.222 9.234 -24.216 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.339 10.015 -25.512 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.291 6.575 -25.946 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.951 8.027 -24.998 1.00 0.00 H new ATOM 1257 N TYR A 88 16.115 11.522 -27.503 1.00 0.00 N ATOM 1258 CA TYR A 88 15.983 12.746 -28.282 1.00 0.00 C ATOM 1259 C TYR A 88 14.932 12.574 -29.371 1.00 0.00 C ATOM 1260 O TYR A 88 14.372 13.550 -29.868 1.00 0.00 O ATOM 1261 CB TYR A 88 17.325 13.127 -28.908 1.00 0.00 C ATOM 1262 CG TYR A 88 17.203 14.134 -30.028 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.978 13.723 -31.337 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.310 15.496 -29.778 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.864 14.641 -32.363 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.195 16.419 -30.799 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.973 15.987 -32.089 1.00 0.00 C ATOM 1268 OH TYR A 88 16.859 16.904 -33.109 1.00 0.00 O ATOM 0 H TYR A 88 16.957 10.982 -27.703 1.00 0.00 H new ATOM 0 HA TYR A 88 15.667 13.546 -27.612 1.00 0.00 H new ATOM 0 HB2 TYR A 88 17.976 13.533 -28.134 1.00 0.00 H new ATOM 0 HB3 TYR A 88 17.807 12.227 -29.290 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.891 12.669 -31.555 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.486 15.839 -28.769 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.690 14.305 -33.375 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.279 17.475 -30.588 1.00 0.00 H new ATOM 0 HH TYR A 88 16.959 17.809 -32.748 1.00 0.00 H new ATOM 1278 N GLU A 89 14.669 11.323 -29.733 1.00 0.00 N ATOM 1279 CA GLU A 89 13.683 11.021 -30.760 1.00 0.00 C ATOM 1280 C GLU A 89 12.266 11.115 -30.199 1.00 0.00 C ATOM 1281 O GLU A 89 11.287 10.980 -30.933 1.00 0.00 O ATOM 1282 CB GLU A 89 13.926 9.624 -31.337 1.00 0.00 C ATOM 1283 CG GLU A 89 15.121 9.553 -32.275 1.00 0.00 C ATOM 1284 CD GLU A 89 14.930 8.542 -33.388 1.00 0.00 C ATOM 1285 OE1 GLU A 89 13.779 8.367 -33.841 1.00 0.00 O ATOM 1286 OE2 GLU A 89 15.932 7.923 -33.806 1.00 0.00 O ATOM 0 H GLU A 89 15.125 10.504 -29.330 1.00 0.00 H new ATOM 0 HA GLU A 89 13.788 11.757 -31.557 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.076 8.922 -30.517 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.034 9.301 -31.873 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.296 10.537 -32.709 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.012 9.294 -31.703 1.00 0.00 H new ATOM 1293 N GLN A 90 12.166 11.349 -28.893 1.00 0.00 N ATOM 1294 CA GLN A 90 10.871 11.464 -28.231 1.00 0.00 C ATOM 1295 C GLN A 90 10.648 12.886 -27.728 1.00 0.00 C ATOM 1296 O GLN A 90 9.604 13.489 -27.977 1.00 0.00 O ATOM 1297 CB GLN A 90 10.784 10.468 -27.068 1.00 0.00 C ATOM 1298 CG GLN A 90 9.856 10.906 -25.946 1.00 0.00 C ATOM 1299 CD GLN A 90 8.395 10.860 -26.345 1.00 0.00 C ATOM 1300 OE1 GLN A 90 7.941 9.905 -26.974 1.00 0.00 O ATOM 1301 NE2 GLN A 90 7.649 11.897 -25.980 1.00 0.00 N ATOM 0 H GLN A 90 12.967 11.463 -28.272 1.00 0.00 H new ATOM 0 HA GLN A 90 10.090 11.231 -28.955 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.444 9.506 -27.452 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.783 10.314 -26.660 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.012 10.264 -25.079 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.114 11.920 -25.642 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.067 12.668 -25.459 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.658 11.922 -26.221 1.00 0.00 H new ATOM 1310 N ASP A 91 11.638 13.412 -27.019 1.00 0.00 N ATOM 1311 CA ASP A 91 11.558 14.764 -26.477 1.00 0.00 C ATOM 1312 C ASP A 91 11.862 15.798 -27.554 1.00 0.00 C ATOM 1313 O ASP A 91 11.165 16.805 -27.678 1.00 0.00 O ATOM 1314 CB ASP A 91 12.532 14.923 -25.309 1.00 0.00 C ATOM 1315 CG ASP A 91 12.036 15.915 -24.275 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.513 16.977 -24.674 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.171 15.631 -23.066 1.00 0.00 O ATOM 0 H ASP A 91 12.507 12.923 -26.805 1.00 0.00 H new ATOM 0 HA ASP A 91 10.542 14.928 -26.118 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.687 13.954 -24.834 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.500 15.251 -25.688 1.00 0.00 H new ATOM 1322 N GLN A 92 12.907 15.539 -28.333 1.00 0.00 N ATOM 1323 CA GLN A 92 13.306 16.443 -29.405 1.00 0.00 C ATOM 1324 C GLN A 92 13.877 17.742 -28.843 1.00 0.00 C ATOM 1325 O GLN A 92 14.123 18.693 -29.585 1.00 0.00 O ATOM 1326 CB GLN A 92 12.116 16.748 -30.315 1.00 0.00 C ATOM 1327 CG GLN A 92 11.528 15.515 -30.981 1.00 0.00 C ATOM 1328 CD GLN A 92 11.755 15.498 -32.481 1.00 0.00 C ATOM 1329 OE1 GLN A 92 11.512 16.489 -33.168 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.223 14.367 -32.995 1.00 0.00 N ATOM 0 H GLN A 92 13.493 14.709 -28.242 1.00 0.00 H new ATOM 0 HA GLN A 92 14.083 15.949 -29.988 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.339 17.240 -29.730 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.430 17.452 -31.086 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.971 14.622 -30.540 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.458 15.473 -30.779 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.410 13.570 -32.387 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.395 14.295 -33.998 1.00 0.00 H new ATOM 1339 N LYS A 93 14.091 17.776 -27.532 1.00 0.00 N ATOM 1340 CA LYS A 93 14.638 18.962 -26.885 1.00 0.00 C ATOM 1341 C LYS A 93 16.163 18.882 -26.819 1.00 0.00 C ATOM 1342 O LYS A 93 16.734 18.045 -26.112 1.00 0.00 O ATOM 1343 CB LYS A 93 14.024 19.142 -25.488 1.00 0.00 C ATOM 1344 CG LYS A 93 14.925 18.718 -24.343 1.00 0.00 C ATOM 1345 CD LYS A 93 15.003 17.208 -24.233 1.00 0.00 C ATOM 1346 CE LYS A 93 14.646 16.737 -22.832 1.00 0.00 C ATOM 1347 NZ LYS A 93 15.776 16.918 -21.878 1.00 0.00 N ATOM 0 H LYS A 93 13.895 17.000 -26.900 1.00 0.00 H new ATOM 0 HA LYS A 93 14.377 19.838 -27.480 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.758 20.191 -25.355 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.098 18.569 -25.436 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.925 19.126 -24.494 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.549 19.134 -23.408 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.325 16.753 -24.956 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.009 16.874 -24.486 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.777 17.289 -22.474 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.364 15.685 -22.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.083 15.990 -21.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.570 17.382 -22.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.466 17.508 -21.080 1.00 0.00 H new ATOM 1361 N TYR A 94 16.815 19.750 -27.582 1.00 0.00 N ATOM 1362 CA TYR A 94 18.269 19.786 -27.641 1.00 0.00 C ATOM 1363 C TYR A 94 18.804 21.174 -27.307 1.00 0.00 C ATOM 1364 O TYR A 94 18.067 22.042 -26.842 1.00 0.00 O ATOM 1365 CB TYR A 94 18.741 19.380 -29.040 1.00 0.00 C ATOM 1366 CG TYR A 94 18.271 20.319 -30.131 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.990 21.468 -30.442 1.00 0.00 C ATOM 1368 CD2 TYR A 94 17.110 20.058 -30.847 1.00 0.00 C ATOM 1369 CE1 TYR A 94 18.563 22.329 -31.437 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.678 20.914 -31.843 1.00 0.00 C ATOM 1371 CZ TYR A 94 17.407 22.047 -32.134 1.00 0.00 C ATOM 1372 OH TYR A 94 16.979 22.900 -33.125 1.00 0.00 O ATOM 0 H TYR A 94 16.355 20.443 -28.172 1.00 0.00 H new ATOM 0 HA TYR A 94 18.653 19.084 -26.901 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.830 19.340 -29.050 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.383 18.374 -29.258 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.896 21.692 -29.898 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.535 19.172 -30.622 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.132 23.218 -31.667 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.773 20.696 -32.391 1.00 0.00 H new ATOM 0 HH TYR A 94 16.150 22.555 -33.518 1.00 0.00 H new ATOM 1382 N SER A 95 20.093 21.372 -27.560 1.00 0.00 N ATOM 1383 CA SER A 95 20.746 22.650 -27.304 1.00 0.00 C ATOM 1384 C SER A 95 21.782 22.932 -28.386 1.00 0.00 C ATOM 1385 O SER A 95 22.188 22.024 -29.107 1.00 0.00 O ATOM 1386 CB SER A 95 21.411 22.643 -25.926 1.00 0.00 C ATOM 1387 OG SER A 95 21.259 21.384 -25.293 1.00 0.00 O ATOM 0 H SER A 95 20.710 20.657 -27.945 1.00 0.00 H new ATOM 0 HA SER A 95 19.992 23.437 -27.321 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.471 22.876 -26.029 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.972 23.422 -25.303 1.00 0.00 H new ATOM 0 HG SER A 95 22.119 20.914 -25.290 1.00 0.00 H new ATOM 1393 N PHE A 96 22.199 24.189 -28.507 1.00 0.00 N ATOM 1394 CA PHE A 96 23.183 24.569 -29.518 1.00 0.00 C ATOM 1395 C PHE A 96 24.600 24.537 -28.960 1.00 0.00 C ATOM 1396 O PHE A 96 24.812 24.262 -27.780 1.00 0.00 O ATOM 1397 CB PHE A 96 22.878 25.965 -30.062 1.00 0.00 C ATOM 1398 CG PHE A 96 21.811 25.981 -31.118 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.730 24.966 -32.058 1.00 0.00 C ATOM 1400 CD2 PHE A 96 20.888 27.013 -31.170 1.00 0.00 C ATOM 1401 CE1 PHE A 96 20.747 24.980 -33.028 1.00 0.00 C ATOM 1402 CE2 PHE A 96 19.904 27.032 -32.139 1.00 0.00 C ATOM 1403 CZ PHE A 96 19.833 26.014 -33.069 1.00 0.00 C ATOM 0 H PHE A 96 21.874 24.958 -27.922 1.00 0.00 H new ATOM 0 HA PHE A 96 23.117 23.841 -30.327 1.00 0.00 H new ATOM 0 HB2 PHE A 96 22.570 26.608 -29.237 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.792 26.392 -30.475 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.443 24.155 -32.032 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.939 27.812 -30.445 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.693 24.182 -33.754 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.191 27.842 -32.169 1.00 0.00 H new ATOM 0 HZ PHE A 96 19.064 26.026 -33.827 1.00 0.00 H new ATOM 1413 N CYS A 97 25.567 24.826 -29.827 1.00 0.00 N ATOM 1414 CA CYS A 97 26.972 24.838 -29.439 1.00 0.00 C ATOM 1415 C CYS A 97 27.785 25.710 -30.391 1.00 0.00 C ATOM 1416 O CYS A 97 27.388 25.931 -31.535 1.00 0.00 O ATOM 1417 CB CYS A 97 27.531 23.415 -29.425 1.00 0.00 C ATOM 1418 SG CYS A 97 26.560 22.246 -28.421 1.00 0.00 S ATOM 0 H CYS A 97 25.401 25.056 -30.807 1.00 0.00 H new ATOM 0 HA CYS A 97 27.046 25.257 -28.435 1.00 0.00 H new ATOM 0 HB2 CYS A 97 27.580 23.045 -30.449 1.00 0.00 H new ATOM 0 HB3 CYS A 97 28.553 23.441 -29.047 1.00 0.00 H new ATOM 1423 N THR A 98 28.921 26.206 -29.910 1.00 0.00 N ATOM 1424 CA THR A 98 29.785 27.058 -30.713 1.00 0.00 C ATOM 1425 C THR A 98 30.398 26.282 -31.884 1.00 0.00 C ATOM 1426 O THR A 98 29.681 25.862 -32.793 1.00 0.00 O ATOM 1427 CB THR A 98 30.897 27.678 -29.846 1.00 0.00 C ATOM 1428 OG1 THR A 98 31.502 26.668 -29.029 1.00 0.00 O ATOM 1429 CG2 THR A 98 30.344 28.784 -28.961 1.00 0.00 C ATOM 0 H THR A 98 29.263 26.031 -28.965 1.00 0.00 H new ATOM 0 HA THR A 98 29.170 27.860 -31.121 1.00 0.00 H new ATOM 0 HB THR A 98 31.646 28.107 -30.511 1.00 0.00 H new ATOM 0 HG1 THR A 98 32.209 27.070 -28.482 1.00 0.00 H new ATOM 0 HG21 THR A 98 31.149 29.205 -28.359 1.00 0.00 H new ATOM 0 HG22 THR A 98 29.910 29.566 -29.584 1.00 0.00 H new ATOM 0 HG23 THR A 98 29.576 28.375 -28.304 1.00 0.00 H new