USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot 125:sc= 1.04 USER MOD Set 1.2: A 38 HIS : no HE2:sc= -4.37! C(o=-2.9!,f=-4.8!) USER MOD Set 1.3: A 39 ASN : amide:sc= 0.396 K(o=-2.9,f=-4.4!) USER MOD Single : A 4 LYS NZ :NH3+ 153:sc= 1.19 (180deg=0.0656) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -29:sc= 0.828 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 80:sc= 1.37 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.951 K(o=-0.95,f=-1.5) USER MOD Single : A 21 GLN : amide:sc=-0.00188 K(o=-0.0019,f=-0.98) USER MOD Single : A 26 SER OG : rot 85:sc= 1.16 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0746 USER MOD Single : A 28 SER OG : rot -41:sc= 0.29 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 34 CYS SG : rot -140:sc= -0.0398 USER MOD Single : A 36 GLN : amide:sc= 0.196 K(o=0.2,f=-0.4) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00466 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 168:sc=-0.00921 (180deg=-0.0794) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 140:sc= -0.66 USER MOD Single : A 63 SER OG : rot -84:sc= 0.834 USER MOD Single : A 64 MET CE :methyl -147:sc= 0 (180deg=-0.301) USER MOD Single : A 65 GLN : amide:sc= -0.0147 K(o=-0.015,f=-1.6!) USER MOD Single : A 71 ASN : amide:sc= 0.236 K(o=0.24,f=-4.2!) USER MOD Single : A 74 CYS SG : rot 160:sc= -0.329 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 85 GLN : amide:sc= -0.194 K(o=-0.19,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -16.696 -1.035 4.975 1.00 0.00 N ATOM 38 CA LYS A 4 -16.389 0.353 4.602 1.00 0.00 C ATOM 39 C LYS A 4 -16.008 0.429 3.124 1.00 0.00 C ATOM 40 O LYS A 4 -15.768 -0.604 2.498 1.00 0.00 O ATOM 41 CB LYS A 4 -15.284 0.960 5.494 1.00 0.00 C ATOM 42 CG LYS A 4 -13.880 0.463 5.110 1.00 0.00 C ATOM 43 CD LYS A 4 -12.743 0.998 5.980 1.00 0.00 C ATOM 44 CE LYS A 4 -12.381 2.479 5.814 1.00 0.00 C ATOM 45 NZ LYS A 4 -13.199 3.383 6.661 1.00 0.00 N ATOM 0 HA LYS A 4 -17.287 0.949 4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.315 2.047 5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.483 0.708 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.871 -0.626 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.685 0.739 4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.006 0.828 7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.851 0.406 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.328 2.618 6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.505 2.761 4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.659 4.247 6.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.074 3.634 6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.438 2.902 7.552 1.00 0.00 H new ATOM 59 N MET A 5 -15.855 1.649 2.604 1.00 0.00 N ATOM 60 CA MET A 5 -15.590 1.979 1.207 1.00 0.00 C ATOM 61 C MET A 5 -16.765 1.605 0.298 1.00 0.00 C ATOM 62 O MET A 5 -17.195 2.469 -0.462 1.00 0.00 O ATOM 63 CB MET A 5 -14.175 1.571 0.741 1.00 0.00 C ATOM 64 CG MET A 5 -14.104 1.212 -0.745 1.00 0.00 C ATOM 65 SD MET A 5 -12.466 1.381 -1.487 1.00 0.00 S ATOM 66 CE MET A 5 -12.499 3.141 -1.922 1.00 0.00 C ATOM 0 H MET A 5 -15.917 2.484 3.187 1.00 0.00 H new ATOM 0 HA MET A 5 -15.542 3.064 1.115 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.484 2.390 0.943 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.839 0.718 1.330 1.00 0.00 H new ATOM 0 HG2 MET A 5 -14.441 0.183 -0.872 1.00 0.00 H new ATOM 0 HG3 MET A 5 -14.802 1.846 -1.291 1.00 0.00 H new ATOM 0 HE1 MET A 5 -11.556 3.417 -2.395 1.00 0.00 H new ATOM 0 HE2 MET A 5 -13.320 3.330 -2.613 1.00 0.00 H new ATOM 0 HE3 MET A 5 -12.640 3.736 -1.020 1.00 0.00 H new ATOM 76 N SER A 6 -17.319 0.399 0.424 1.00 0.00 N ATOM 77 CA SER A 6 -18.311 -0.193 -0.454 1.00 0.00 C ATOM 78 C SER A 6 -17.806 -0.248 -1.905 1.00 0.00 C ATOM 79 O SER A 6 -16.606 -0.270 -2.175 1.00 0.00 O ATOM 80 CB SER A 6 -19.709 0.421 -0.216 1.00 0.00 C ATOM 81 OG SER A 6 -19.912 1.737 -0.705 1.00 0.00 O ATOM 0 H SER A 6 -17.067 -0.224 1.192 1.00 0.00 H new ATOM 0 HA SER A 6 -18.458 -1.243 -0.202 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.451 -0.232 -0.675 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.904 0.421 0.856 1.00 0.00 H new ATOM 0 HG SER A 6 -19.061 2.223 -0.698 1.00 0.00 H new ATOM 87 N ASP A 7 -18.728 -0.360 -2.848 1.00 0.00 N ATOM 88 CA ASP A 7 -18.496 -0.421 -4.278 1.00 0.00 C ATOM 89 C ASP A 7 -18.286 0.983 -4.845 1.00 0.00 C ATOM 90 O ASP A 7 -19.208 1.800 -4.897 1.00 0.00 O ATOM 91 CB ASP A 7 -19.642 -1.172 -4.973 1.00 0.00 C ATOM 92 CG ASP A 7 -21.048 -0.785 -4.498 1.00 0.00 C ATOM 93 OD1 ASP A 7 -21.361 -0.969 -3.298 1.00 0.00 O ATOM 94 OD2 ASP A 7 -21.892 -0.370 -5.328 1.00 0.00 O ATOM 0 H ASP A 7 -19.720 -0.414 -2.618 1.00 0.00 H new ATOM 0 HA ASP A 7 -17.582 -0.982 -4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -19.575 -0.995 -6.046 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -19.503 -2.242 -4.817 1.00 0.00 H new ATOM 99 N VAL A 8 -17.051 1.268 -5.266 1.00 0.00 N ATOM 100 CA VAL A 8 -16.545 2.564 -5.739 1.00 0.00 C ATOM 101 C VAL A 8 -15.630 2.350 -6.953 1.00 0.00 C ATOM 102 O VAL A 8 -14.828 3.215 -7.304 1.00 0.00 O ATOM 103 CB VAL A 8 -15.783 3.307 -4.617 1.00 0.00 C ATOM 104 CG1 VAL A 8 -15.802 4.831 -4.815 1.00 0.00 C ATOM 105 CG2 VAL A 8 -16.303 3.010 -3.219 1.00 0.00 C ATOM 0 H VAL A 8 -16.326 0.551 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.394 3.181 -6.032 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.764 2.927 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.255 5.310 -4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.332 5.080 -5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.833 5.185 -4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.718 3.568 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.350 3.307 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.214 1.943 -3.017 1.00 0.00 H new ATOM 115 N LYS A 9 -15.729 1.172 -7.577 1.00 0.00 N ATOM 116 CA LYS A 9 -15.136 0.787 -8.863 1.00 0.00 C ATOM 117 C LYS A 9 -13.636 0.543 -8.707 1.00 0.00 C ATOM 118 O LYS A 9 -13.191 -0.602 -8.709 1.00 0.00 O ATOM 119 CB LYS A 9 -15.437 1.823 -9.959 1.00 0.00 C ATOM 120 CG LYS A 9 -16.947 1.959 -10.178 1.00 0.00 C ATOM 121 CD LYS A 9 -17.367 1.388 -11.536 1.00 0.00 C ATOM 122 CE LYS A 9 -18.869 1.179 -11.454 1.00 0.00 C ATOM 123 NZ LYS A 9 -19.502 0.920 -12.764 1.00 0.00 N ATOM 0 H LYS A 9 -16.264 0.407 -7.167 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.596 -0.148 -9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.017 2.789 -9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.955 1.525 -10.890 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.480 1.439 -9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.232 3.009 -10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.112 2.074 -12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.853 0.449 -11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -19.075 0.341 -10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.326 2.062 -11.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.525 0.787 -12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.335 1.729 -13.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -19.092 0.062 -13.184 1.00 0.00 H new ATOM 137 N CYS A 10 -12.854 1.605 -8.510 1.00 0.00 N ATOM 138 CA CYS A 10 -11.401 1.551 -8.406 1.00 0.00 C ATOM 139 C CYS A 10 -10.890 1.037 -7.048 1.00 0.00 C ATOM 140 O CYS A 10 -9.675 0.933 -6.873 1.00 0.00 O ATOM 141 CB CYS A 10 -10.806 2.927 -8.731 1.00 0.00 C ATOM 142 SG CYS A 10 -11.306 3.454 -10.392 1.00 0.00 S ATOM 0 H CYS A 10 -13.227 2.550 -8.416 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.063 0.818 -9.138 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.140 3.658 -7.995 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.719 2.884 -8.668 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.795 4.621 -10.649 1.00 0.00 H new ATOM 148 N THR A 11 -11.788 0.676 -6.127 1.00 0.00 N ATOM 149 CA THR A 11 -11.566 0.214 -4.758 1.00 0.00 C ATOM 150 C THR A 11 -10.238 -0.545 -4.575 1.00 0.00 C ATOM 151 O THR A 11 -9.252 0.035 -4.104 1.00 0.00 O ATOM 152 CB THR A 11 -12.838 -0.525 -4.268 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.605 -1.250 -3.083 1.00 0.00 O ATOM 154 CG2 THR A 11 -13.456 -1.514 -5.269 1.00 0.00 C ATOM 0 H THR A 11 -12.784 0.703 -6.345 1.00 0.00 H new ATOM 0 HA THR A 11 -11.422 1.071 -4.100 1.00 0.00 H new ATOM 0 HB THR A 11 -13.540 0.295 -4.116 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.635 -0.641 -2.316 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.339 -1.975 -4.827 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.740 -0.983 -6.177 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.727 -2.287 -5.514 1.00 0.00 H new ATOM 162 N SER A 12 -10.159 -1.820 -4.976 1.00 0.00 N ATOM 163 CA SER A 12 -8.927 -2.581 -4.855 1.00 0.00 C ATOM 164 C SER A 12 -8.199 -2.632 -6.203 1.00 0.00 C ATOM 165 O SER A 12 -7.530 -3.610 -6.520 1.00 0.00 O ATOM 166 CB SER A 12 -9.186 -3.934 -4.175 1.00 0.00 C ATOM 167 OG SER A 12 -8.204 -4.151 -3.179 1.00 0.00 O ATOM 0 H SER A 12 -10.937 -2.338 -5.385 1.00 0.00 H new ATOM 0 HA SER A 12 -8.229 -2.078 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.181 -3.946 -3.730 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.157 -4.736 -4.912 1.00 0.00 H new ATOM 0 HG SER A 12 -8.642 -4.319 -2.319 1.00 0.00 H new ATOM 173 N VAL A 13 -8.216 -1.524 -6.951 1.00 0.00 N ATOM 174 CA VAL A 13 -7.539 -1.393 -8.242 1.00 0.00 C ATOM 175 C VAL A 13 -6.518 -0.255 -8.189 1.00 0.00 C ATOM 176 O VAL A 13 -5.458 -0.400 -8.794 1.00 0.00 O ATOM 177 CB VAL A 13 -8.536 -1.324 -9.434 1.00 0.00 C ATOM 178 CG1 VAL A 13 -9.937 -1.858 -9.082 1.00 0.00 C ATOM 179 CG2 VAL A 13 -8.653 0.061 -10.093 1.00 0.00 C ATOM 0 H VAL A 13 -8.711 -0.678 -6.669 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.971 -2.303 -8.438 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.087 -1.988 -10.172 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.585 -1.783 -9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.862 -2.901 -8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.357 -1.269 -8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.369 0.014 -10.913 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.993 0.788 -9.355 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.679 0.364 -10.478 1.00 0.00 H new ATOM 189 N VAL A 14 -6.776 0.820 -7.424 1.00 0.00 N ATOM 190 CA VAL A 14 -5.870 1.971 -7.320 1.00 0.00 C ATOM 191 C VAL A 14 -4.444 1.531 -6.994 1.00 0.00 C ATOM 192 O VAL A 14 -3.504 1.879 -7.701 1.00 0.00 O ATOM 193 CB VAL A 14 -6.377 3.114 -6.428 1.00 0.00 C ATOM 194 CG1 VAL A 14 -7.559 3.859 -7.051 1.00 0.00 C ATOM 195 CG2 VAL A 14 -6.812 2.563 -5.089 1.00 0.00 C ATOM 0 H VAL A 14 -7.621 0.913 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.851 2.421 -8.313 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.552 3.817 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.880 4.657 -6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.256 4.287 -8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.384 3.165 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.171 3.377 -4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.613 1.838 -5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.966 2.075 -4.604 1.00 0.00 H new ATOM 205 N LEU A 15 -4.294 0.697 -5.959 1.00 0.00 N ATOM 206 CA LEU A 15 -3.005 0.176 -5.528 1.00 0.00 C ATOM 207 C LEU A 15 -2.367 -0.621 -6.657 1.00 0.00 C ATOM 208 O LEU A 15 -1.167 -0.495 -6.883 1.00 0.00 O ATOM 209 CB LEU A 15 -3.170 -0.634 -4.230 1.00 0.00 C ATOM 210 CG LEU A 15 -1.875 -1.070 -3.544 1.00 0.00 C ATOM 211 CD1 LEU A 15 -2.098 -1.609 -2.134 1.00 0.00 C ATOM 212 CD2 LEU A 15 -1.140 -2.108 -4.371 1.00 0.00 C ATOM 0 H LEU A 15 -5.077 0.365 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.325 0.996 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.749 -0.038 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.758 -1.525 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.266 -0.170 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.142 -1.902 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.554 -0.835 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.758 -2.476 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.223 -2.399 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.775 -2.984 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.893 -1.688 -5.346 1.00 0.00 H new ATOM 224 N LEU A 16 -3.146 -1.429 -7.376 1.00 0.00 N ATOM 225 CA LEU A 16 -2.611 -2.290 -8.422 1.00 0.00 C ATOM 226 C LEU A 16 -2.002 -1.492 -9.587 1.00 0.00 C ATOM 227 O LEU A 16 -1.236 -2.052 -10.360 1.00 0.00 O ATOM 228 CB LEU A 16 -3.668 -3.275 -8.937 1.00 0.00 C ATOM 229 CG LEU A 16 -4.306 -4.225 -7.898 1.00 0.00 C ATOM 230 CD1 LEU A 16 -5.229 -5.183 -8.653 1.00 0.00 C ATOM 231 CD2 LEU A 16 -3.308 -5.042 -7.057 1.00 0.00 C ATOM 0 H LEU A 16 -4.155 -1.503 -7.249 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.804 -2.862 -7.964 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.467 -2.700 -9.406 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.212 -3.884 -9.718 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.835 -3.597 -7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.697 -5.869 -7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.001 -4.613 -9.170 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.648 -5.750 -9.380 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.854 -5.676 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.702 -5.665 -7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.661 -4.364 -6.501 1.00 0.00 H new ATOM 243 N SER A 17 -2.281 -0.196 -9.685 1.00 0.00 N ATOM 244 CA SER A 17 -1.667 0.737 -10.632 1.00 0.00 C ATOM 245 C SER A 17 -0.636 1.668 -9.972 1.00 0.00 C ATOM 246 O SER A 17 -0.071 2.526 -10.647 1.00 0.00 O ATOM 247 CB SER A 17 -2.773 1.487 -11.373 1.00 0.00 C ATOM 248 OG SER A 17 -3.515 0.538 -12.110 1.00 0.00 O ATOM 0 H SER A 17 -2.970 0.255 -9.083 1.00 0.00 H new ATOM 0 HA SER A 17 -1.085 0.172 -11.360 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.417 2.013 -10.668 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.347 2.239 -12.037 1.00 0.00 H new ATOM 0 HG SER A 17 -4.235 0.992 -12.596 1.00 0.00 H new ATOM 254 N VAL A 18 -0.397 1.524 -8.665 1.00 0.00 N ATOM 255 CA VAL A 18 0.534 2.308 -7.858 1.00 0.00 C ATOM 256 C VAL A 18 1.733 1.452 -7.460 1.00 0.00 C ATOM 257 O VAL A 18 2.857 1.726 -7.869 1.00 0.00 O ATOM 258 CB VAL A 18 -0.214 2.879 -6.626 1.00 0.00 C ATOM 259 CG1 VAL A 18 0.680 3.465 -5.520 1.00 0.00 C ATOM 260 CG2 VAL A 18 -1.220 3.963 -7.032 1.00 0.00 C ATOM 0 H VAL A 18 -0.878 0.814 -8.112 1.00 0.00 H new ATOM 0 HA VAL A 18 0.919 3.148 -8.437 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.711 2.002 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.056 3.836 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.346 2.690 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.272 4.285 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.726 4.341 -6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.695 4.781 -7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.955 3.539 -7.716 1.00 0.00 H new ATOM 270 N LEU A 19 1.505 0.460 -6.596 1.00 0.00 N ATOM 271 CA LEU A 19 2.562 -0.120 -5.781 1.00 0.00 C ATOM 272 C LEU A 19 3.086 -1.344 -6.508 1.00 0.00 C ATOM 273 O LEU A 19 4.208 -1.333 -7.008 1.00 0.00 O ATOM 274 CB LEU A 19 2.037 -0.403 -4.357 1.00 0.00 C ATOM 275 CG LEU A 19 3.068 -0.279 -3.227 1.00 0.00 C ATOM 276 CD1 LEU A 19 4.193 -1.309 -3.324 1.00 0.00 C ATOM 277 CD2 LEU A 19 3.624 1.133 -3.105 1.00 0.00 C ATOM 0 H LEU A 19 0.587 0.042 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 19 3.398 0.566 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.215 0.283 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.623 -1.411 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 19 2.521 -0.499 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.888 -1.168 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.772 -2.313 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.722 -1.182 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.349 1.170 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.111 1.414 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.810 1.828 -2.897 1.00 0.00 H new ATOM 289 N GLN A 20 2.241 -2.373 -6.630 1.00 0.00 N ATOM 290 CA GLN A 20 2.508 -3.549 -7.427 1.00 0.00 C ATOM 291 C GLN A 20 2.950 -3.207 -8.845 1.00 0.00 C ATOM 292 O GLN A 20 3.705 -3.995 -9.395 1.00 0.00 O ATOM 293 CB GLN A 20 1.272 -4.450 -7.407 1.00 0.00 C ATOM 294 CG GLN A 20 0.300 -4.346 -8.568 1.00 0.00 C ATOM 295 CD GLN A 20 0.721 -5.037 -9.876 1.00 0.00 C ATOM 296 OE1 GLN A 20 0.862 -4.384 -10.901 1.00 0.00 O ATOM 297 NE2 GLN A 20 0.869 -6.348 -9.903 1.00 0.00 N ATOM 0 H GLN A 20 1.335 -2.401 -6.162 1.00 0.00 H new ATOM 0 HA GLN A 20 3.349 -4.086 -6.989 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.612 -5.484 -7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.721 -4.242 -6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.655 -4.765 -8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.131 -3.290 -8.779 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.751 -6.892 -9.048 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.101 -6.817 -10.779 1.00 0.00 H new ATOM 306 N GLN A 21 2.526 -2.044 -9.372 1.00 0.00 N ATOM 307 CA GLN A 21 2.735 -1.590 -10.738 1.00 0.00 C ATOM 308 C GLN A 21 4.119 -1.988 -11.239 1.00 0.00 C ATOM 309 O GLN A 21 4.223 -2.555 -12.317 1.00 0.00 O ATOM 310 CB GLN A 21 2.531 -0.068 -10.776 1.00 0.00 C ATOM 311 CG GLN A 21 2.399 0.475 -12.206 1.00 0.00 C ATOM 312 CD GLN A 21 2.521 1.999 -12.302 1.00 0.00 C ATOM 313 OE1 GLN A 21 3.119 2.658 -11.447 1.00 0.00 O ATOM 314 NE2 GLN A 21 2.025 2.574 -13.377 1.00 0.00 N ATOM 0 H GLN A 21 2.001 -1.367 -8.818 1.00 0.00 H new ATOM 0 HA GLN A 21 2.016 -2.066 -11.405 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.636 0.189 -10.210 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.371 0.420 -10.282 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.167 0.018 -12.830 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.435 0.171 -12.613 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.534 2.014 -14.074 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.132 3.579 -13.513 1.00 0.00 H new ATOM 323 N LEU A 22 5.162 -1.744 -10.439 1.00 0.00 N ATOM 324 CA LEU A 22 6.479 -2.329 -10.659 1.00 0.00 C ATOM 325 C LEU A 22 7.037 -2.969 -9.377 1.00 0.00 C ATOM 326 O LEU A 22 7.592 -4.069 -9.432 1.00 0.00 O ATOM 327 CB LEU A 22 7.453 -1.274 -11.224 1.00 0.00 C ATOM 328 CG LEU A 22 7.557 -1.081 -12.756 1.00 0.00 C ATOM 329 CD1 LEU A 22 7.806 -2.388 -13.510 1.00 0.00 C ATOM 330 CD2 LEU A 22 6.390 -0.336 -13.413 1.00 0.00 C ATOM 0 H LEU A 22 5.112 -1.135 -9.622 1.00 0.00 H new ATOM 0 HA LEU A 22 6.371 -3.125 -11.395 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.181 -0.312 -10.791 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.450 -1.518 -10.856 1.00 0.00 H new ATOM 0 HG LEU A 22 8.430 -0.434 -12.845 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.869 -2.185 -14.579 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.741 -2.832 -13.169 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.985 -3.080 -13.320 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.566 -0.257 -14.486 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.464 -0.883 -13.237 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.309 0.663 -12.985 1.00 0.00 H new ATOM 342 N ARG A 23 6.923 -2.285 -8.220 1.00 0.00 N ATOM 343 CA ARG A 23 7.655 -2.657 -6.986 1.00 0.00 C ATOM 344 C ARG A 23 7.367 -4.079 -6.510 1.00 0.00 C ATOM 345 O ARG A 23 8.226 -4.714 -5.906 1.00 0.00 O ATOM 346 CB ARG A 23 7.244 -1.754 -5.819 1.00 0.00 C ATOM 347 CG ARG A 23 7.598 -0.266 -5.903 1.00 0.00 C ATOM 348 CD ARG A 23 6.688 0.443 -4.885 1.00 0.00 C ATOM 349 NE ARG A 23 7.067 1.818 -4.519 1.00 0.00 N ATOM 350 CZ ARG A 23 7.935 2.173 -3.562 1.00 0.00 C ATOM 351 NH1 ARG A 23 8.714 1.262 -2.996 1.00 0.00 N ATOM 352 NH2 ARG A 23 8.016 3.438 -3.166 1.00 0.00 N ATOM 0 H ARG A 23 6.326 -1.465 -8.112 1.00 0.00 H new ATOM 0 HA ARG A 23 8.707 -2.557 -7.253 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.164 -1.834 -5.699 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.696 -2.154 -4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.650 -0.101 -5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.432 0.119 -6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.675 0.463 -5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.659 -0.157 -3.976 1.00 0.00 H new ATOM 0 HE ARG A 23 6.626 2.573 -5.045 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.654 0.287 -3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.373 1.536 -2.268 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.416 4.145 -3.591 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.679 3.703 -2.437 1.00 0.00 H new ATOM 366 N VAL A 24 6.135 -4.524 -6.678 1.00 0.00 N ATOM 367 CA VAL A 24 5.708 -5.871 -6.312 1.00 0.00 C ATOM 368 C VAL A 24 4.822 -6.385 -7.432 1.00 0.00 C ATOM 369 O VAL A 24 3.667 -6.723 -7.218 1.00 0.00 O ATOM 370 CB VAL A 24 5.100 -5.907 -4.889 1.00 0.00 C ATOM 371 CG1 VAL A 24 3.985 -4.897 -4.623 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.627 -7.297 -4.452 1.00 0.00 C ATOM 0 H VAL A 24 5.389 -3.955 -7.078 1.00 0.00 H new ATOM 0 HA VAL A 24 6.548 -6.560 -6.227 1.00 0.00 H new ATOM 0 HB VAL A 24 5.955 -5.612 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.631 -5.008 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.367 -3.887 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.160 -5.075 -5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.214 -7.241 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.860 -7.653 -5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.470 -7.987 -4.460 1.00 0.00 H new ATOM 382 N GLU A 25 5.345 -6.417 -8.648 1.00 0.00 N ATOM 383 CA GLU A 25 4.678 -7.119 -9.736 1.00 0.00 C ATOM 384 C GLU A 25 4.785 -8.617 -9.398 1.00 0.00 C ATOM 385 O GLU A 25 5.880 -9.143 -9.151 1.00 0.00 O ATOM 386 CB GLU A 25 5.197 -6.650 -11.116 1.00 0.00 C ATOM 387 CG GLU A 25 6.152 -7.574 -11.888 1.00 0.00 C ATOM 388 CD GLU A 25 5.520 -8.891 -12.364 1.00 0.00 C ATOM 389 OE1 GLU A 25 4.278 -9.050 -12.339 1.00 0.00 O ATOM 390 OE2 GLU A 25 6.287 -9.816 -12.705 1.00 0.00 O ATOM 0 H GLU A 25 6.224 -5.968 -8.906 1.00 0.00 H new ATOM 0 HA GLU A 25 3.617 -6.888 -9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.331 -6.462 -11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.701 -5.694 -10.974 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.536 -7.036 -12.755 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.007 -7.805 -11.252 1.00 0.00 H new ATOM 397 N SER A 26 3.646 -9.287 -9.271 1.00 0.00 N ATOM 398 CA SER A 26 3.506 -10.701 -8.969 1.00 0.00 C ATOM 399 C SER A 26 2.102 -11.144 -9.398 1.00 0.00 C ATOM 400 O SER A 26 1.333 -10.345 -9.942 1.00 0.00 O ATOM 401 CB SER A 26 3.741 -10.924 -7.461 1.00 0.00 C ATOM 402 OG SER A 26 2.739 -10.340 -6.645 1.00 0.00 O ATOM 0 H SER A 26 2.743 -8.827 -9.383 1.00 0.00 H new ATOM 0 HA SER A 26 4.242 -11.297 -9.510 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.784 -11.995 -7.261 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.711 -10.509 -7.186 1.00 0.00 H new ATOM 0 HG SER A 26 1.982 -10.958 -6.563 1.00 0.00 H new ATOM 408 N SER A 27 1.744 -12.388 -9.089 1.00 0.00 N ATOM 409 CA SER A 27 0.362 -12.805 -8.918 1.00 0.00 C ATOM 410 C SER A 27 -0.082 -12.549 -7.462 1.00 0.00 C ATOM 411 O SER A 27 0.752 -12.280 -6.585 1.00 0.00 O ATOM 412 CB SER A 27 0.256 -14.272 -9.358 1.00 0.00 C ATOM 413 OG SER A 27 1.379 -15.045 -8.954 1.00 0.00 O ATOM 0 H SER A 27 2.417 -13.141 -8.949 1.00 0.00 H new ATOM 0 HA SER A 27 -0.322 -12.226 -9.539 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.651 -14.709 -8.940 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.160 -14.316 -10.443 1.00 0.00 H new ATOM 0 HG SER A 27 1.265 -15.971 -9.255 1.00 0.00 H new ATOM 419 N SER A 28 -1.390 -12.598 -7.182 1.00 0.00 N ATOM 420 CA SER A 28 -1.955 -12.344 -5.856 1.00 0.00 C ATOM 421 C SER A 28 -1.754 -13.534 -4.920 1.00 0.00 C ATOM 422 O SER A 28 -2.611 -14.421 -4.852 1.00 0.00 O ATOM 423 CB SER A 28 -3.433 -11.954 -5.977 1.00 0.00 C ATOM 424 OG SER A 28 -3.599 -10.818 -6.807 1.00 0.00 O ATOM 0 H SER A 28 -2.096 -12.819 -7.884 1.00 0.00 H new ATOM 0 HA SER A 28 -1.420 -11.506 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.000 -12.791 -6.385 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.839 -11.746 -4.987 1.00 0.00 H new ATOM 0 HG SER A 28 -2.894 -10.166 -6.614 1.00 0.00 H new ATOM 430 N LYS A 29 -0.638 -13.533 -4.183 1.00 0.00 N ATOM 431 CA LYS A 29 -0.375 -14.518 -3.141 1.00 0.00 C ATOM 432 C LYS A 29 -0.187 -13.835 -1.781 1.00 0.00 C ATOM 433 O LYS A 29 -1.153 -13.376 -1.183 1.00 0.00 O ATOM 434 CB LYS A 29 0.813 -15.384 -3.607 1.00 0.00 C ATOM 435 CG LYS A 29 0.884 -16.711 -2.849 1.00 0.00 C ATOM 436 CD LYS A 29 0.075 -17.767 -3.602 1.00 0.00 C ATOM 437 CE LYS A 29 -0.094 -18.992 -2.714 1.00 0.00 C ATOM 438 NZ LYS A 29 -0.695 -20.119 -3.448 1.00 0.00 N ATOM 0 H LYS A 29 0.107 -12.845 -4.296 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.224 -15.184 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.722 -15.581 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.742 -14.833 -3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.921 -17.032 -2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.492 -16.588 -1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.900 -17.366 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.582 -18.040 -4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.877 -19.292 -2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.722 -18.738 -1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.794 -20.935 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.632 -19.841 -3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.083 -20.378 -4.248 1.00 0.00 H new ATOM 452 N LEU A 30 1.050 -13.668 -1.318 1.00 0.00 N ATOM 453 CA LEU A 30 1.400 -13.137 -0.007 1.00 0.00 C ATOM 454 C LEU A 30 1.117 -11.641 0.045 1.00 0.00 C ATOM 455 O LEU A 30 0.502 -11.146 0.987 1.00 0.00 O ATOM 456 CB LEU A 30 2.877 -13.505 0.224 1.00 0.00 C ATOM 457 CG LEU A 30 3.710 -12.781 1.287 1.00 0.00 C ATOM 458 CD1 LEU A 30 4.143 -11.397 0.811 1.00 0.00 C ATOM 459 CD2 LEU A 30 3.028 -12.724 2.649 1.00 0.00 C ATOM 0 H LEU A 30 1.871 -13.911 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 30 0.800 -13.563 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.908 -14.568 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.392 -13.376 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 30 4.609 -13.381 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.732 -10.912 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.746 -11.495 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.261 -10.794 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.670 -12.199 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.079 -12.195 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.846 -13.737 3.008 1.00 0.00 H new ATOM 471 N TRP A 31 1.540 -10.899 -0.977 1.00 0.00 N ATOM 472 CA TRP A 31 1.388 -9.447 -1.019 1.00 0.00 C ATOM 473 C TRP A 31 -0.091 -9.040 -0.973 1.00 0.00 C ATOM 474 O TRP A 31 -0.444 -8.002 -0.399 1.00 0.00 O ATOM 475 CB TRP A 31 2.117 -8.941 -2.269 1.00 0.00 C ATOM 476 CG TRP A 31 1.403 -7.928 -3.090 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.417 -6.598 -2.875 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.544 -8.148 -4.245 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.711 -5.975 -3.878 1.00 0.00 N ATOM 480 CE2 TRP A 31 0.094 -6.880 -4.701 1.00 0.00 C ATOM 481 CE3 TRP A 31 0.116 -9.277 -4.972 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.751 -6.732 -5.800 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.715 -9.131 -6.101 1.00 0.00 C ATOM 484 CH2 TRP A 31 -1.167 -7.868 -6.505 1.00 0.00 C ATOM 0 H TRP A 31 1.999 -11.289 -1.800 1.00 0.00 H new ATOM 0 HA TRP A 31 1.835 -8.983 -0.139 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.072 -8.517 -1.959 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.341 -9.798 -2.904 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.904 -6.101 -2.049 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.654 -4.963 -3.995 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.428 -10.263 -4.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.082 -5.750 -6.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.008 -10.006 -6.663 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.830 -7.771 -7.352 1.00 0.00 H new ATOM 495 N ALA A 32 -0.959 -9.895 -1.517 1.00 0.00 N ATOM 496 CA ALA A 32 -2.398 -9.727 -1.511 1.00 0.00 C ATOM 497 C ALA A 32 -2.909 -9.613 -0.060 1.00 0.00 C ATOM 498 O ALA A 32 -3.870 -8.882 0.160 1.00 0.00 O ATOM 499 CB ALA A 32 -3.077 -10.898 -2.222 1.00 0.00 C ATOM 0 H ALA A 32 -0.661 -10.749 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.645 -8.810 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.158 -10.755 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.731 -10.947 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.827 -11.828 -1.711 1.00 0.00 H new ATOM 505 N GLN A 33 -2.253 -10.228 0.947 1.00 0.00 N ATOM 506 CA GLN A 33 -2.665 -10.122 2.356 1.00 0.00 C ATOM 507 C GLN A 33 -2.635 -8.672 2.855 1.00 0.00 C ATOM 508 O GLN A 33 -3.278 -8.352 3.850 1.00 0.00 O ATOM 509 CB GLN A 33 -1.874 -11.068 3.302 1.00 0.00 C ATOM 510 CG GLN A 33 -0.698 -10.456 4.103 1.00 0.00 C ATOM 511 CD GLN A 33 -0.118 -11.416 5.150 1.00 0.00 C ATOM 512 OE1 GLN A 33 0.515 -12.413 4.813 1.00 0.00 O ATOM 513 NE2 GLN A 33 -0.286 -11.148 6.437 1.00 0.00 N ATOM 0 H GLN A 33 -1.427 -10.809 0.803 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.700 -10.461 2.386 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.578 -11.498 4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.482 -11.891 2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.091 -10.163 3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.039 -9.548 4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.811 -10.321 6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.110 -11.769 7.143 1.00 0.00 H new ATOM 522 N CYS A 34 -1.889 -7.787 2.198 1.00 0.00 N ATOM 523 CA CYS A 34 -1.883 -6.361 2.493 1.00 0.00 C ATOM 524 C CYS A 34 -2.611 -5.575 1.424 1.00 0.00 C ATOM 525 O CYS A 34 -3.148 -4.507 1.722 1.00 0.00 O ATOM 526 CB CYS A 34 -0.439 -5.917 2.677 1.00 0.00 C ATOM 527 SG CYS A 34 0.281 -6.731 4.128 1.00 0.00 S ATOM 0 H CYS A 34 -1.264 -8.047 1.435 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.427 -6.164 3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.141 -6.162 1.787 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.395 -4.835 2.798 1.00 0.00 H new ATOM 0 HG CYS A 34 1.026 -5.885 4.775 1.00 0.00 H new ATOM 533 N VAL A 35 -2.735 -6.116 0.214 1.00 0.00 N ATOM 534 CA VAL A 35 -3.630 -5.526 -0.753 1.00 0.00 C ATOM 535 C VAL A 35 -5.066 -5.534 -0.167 1.00 0.00 C ATOM 536 O VAL A 35 -5.709 -4.492 -0.210 1.00 0.00 O ATOM 537 CB VAL A 35 -3.433 -6.179 -2.146 1.00 0.00 C ATOM 538 CG1 VAL A 35 -4.609 -7.022 -2.657 1.00 0.00 C ATOM 539 CG2 VAL A 35 -3.062 -5.127 -3.197 1.00 0.00 C ATOM 0 H VAL A 35 -2.234 -6.945 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.405 -4.476 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.613 -6.881 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.365 -7.431 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.801 -7.839 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.498 -6.396 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.929 -5.611 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.859 -4.386 -3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.134 -4.635 -2.907 1.00 0.00 H new ATOM 549 N GLN A 36 -5.540 -6.608 0.478 1.00 0.00 N ATOM 550 CA GLN A 36 -6.906 -6.714 1.012 1.00 0.00 C ATOM 551 C GLN A 36 -7.271 -5.653 2.067 1.00 0.00 C ATOM 552 O GLN A 36 -8.453 -5.393 2.264 1.00 0.00 O ATOM 553 CB GLN A 36 -7.156 -8.123 1.587 1.00 0.00 C ATOM 554 CG GLN A 36 -6.173 -8.487 2.709 1.00 0.00 C ATOM 555 CD GLN A 36 -6.504 -9.760 3.481 1.00 0.00 C ATOM 556 OE1 GLN A 36 -7.480 -10.456 3.219 1.00 0.00 O ATOM 557 NE2 GLN A 36 -5.713 -10.069 4.490 1.00 0.00 N ATOM 0 H GLN A 36 -4.977 -7.442 0.647 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.557 -6.526 0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.175 -8.179 1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.075 -8.858 0.786 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.178 -8.593 2.277 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.128 -7.656 3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.904 -9.485 4.701 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.910 -10.892 5.059 1.00 0.00 H new ATOM 566 N LEU A 37 -6.294 -5.064 2.766 1.00 0.00 N ATOM 567 CA LEU A 37 -6.456 -3.973 3.711 1.00 0.00 C ATOM 568 C LEU A 37 -6.337 -2.635 3.007 1.00 0.00 C ATOM 569 O LEU A 37 -6.955 -1.678 3.455 1.00 0.00 O ATOM 570 CB LEU A 37 -5.376 -4.070 4.813 1.00 0.00 C ATOM 571 CG LEU A 37 -5.931 -4.386 6.212 1.00 0.00 C ATOM 572 CD1 LEU A 37 -6.701 -3.202 6.803 1.00 0.00 C ATOM 573 CD2 LEU A 37 -6.814 -5.640 6.185 1.00 0.00 C ATOM 0 H LEU A 37 -5.321 -5.357 2.677 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.447 -4.049 4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.658 -4.842 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.830 -3.128 4.855 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.074 -4.579 6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.076 -3.468 7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.037 -2.341 6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.539 -2.952 6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.193 -5.840 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.651 -5.481 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.226 -6.492 5.843 1.00 0.00 H new ATOM 585 N HIS A 38 -5.590 -2.520 1.900 1.00 0.00 N ATOM 586 CA HIS A 38 -5.470 -1.230 1.235 1.00 0.00 C ATOM 587 C HIS A 38 -6.857 -0.681 0.880 1.00 0.00 C ATOM 588 O HIS A 38 -7.083 0.513 1.027 1.00 0.00 O ATOM 589 CB HIS A 38 -4.537 -1.276 0.035 1.00 0.00 C ATOM 590 CG HIS A 38 -5.211 -1.429 -1.317 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.445 -2.592 -2.012 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.632 -0.405 -2.114 1.00 0.00 C ATOM 593 CE1 HIS A 38 -5.935 -2.271 -3.216 1.00 0.00 C ATOM 594 NE2 HIS A 38 -6.176 -0.947 -3.257 1.00 0.00 N ATOM 0 H HIS A 38 -5.076 -3.284 1.462 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.006 -0.536 1.936 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.944 -0.361 0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.842 -2.105 0.170 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.275 -3.537 -1.669 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.552 0.648 -1.888 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.109 -2.964 -4.026 1.00 0.00 H new ATOM 603 N ASN A 39 -7.787 -1.527 0.423 1.00 0.00 N ATOM 604 CA ASN A 39 -9.152 -1.123 0.073 1.00 0.00 C ATOM 605 C ASN A 39 -10.002 -0.722 1.289 1.00 0.00 C ATOM 606 O ASN A 39 -11.109 -0.219 1.111 1.00 0.00 O ATOM 607 CB ASN A 39 -9.848 -2.207 -0.766 1.00 0.00 C ATOM 608 CG ASN A 39 -9.798 -3.588 -0.127 1.00 0.00 C ATOM 609 OD1 ASN A 39 -9.145 -4.478 -0.658 1.00 0.00 O ATOM 610 ND2 ASN A 39 -10.380 -3.780 1.039 1.00 0.00 N ATOM 0 H ASN A 39 -7.610 -2.522 0.285 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.059 -0.222 -0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.889 -1.924 -0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.380 -2.252 -1.749 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.290 -4.679 1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.921 -3.029 1.469 1.00 0.00 H new ATOM 617 N ASP A 40 -9.530 -0.920 2.519 1.00 0.00 N ATOM 618 CA ASP A 40 -10.045 -0.249 3.710 1.00 0.00 C ATOM 619 C ASP A 40 -9.390 1.109 3.871 1.00 0.00 C ATOM 620 O ASP A 40 -10.083 2.107 4.075 1.00 0.00 O ATOM 621 CB ASP A 40 -9.800 -1.127 4.954 1.00 0.00 C ATOM 622 CG ASP A 40 -9.374 -0.422 6.267 1.00 0.00 C ATOM 623 OD1 ASP A 40 -8.203 -0.022 6.414 1.00 0.00 O ATOM 624 OD2 ASP A 40 -10.221 -0.282 7.187 1.00 0.00 O ATOM 0 H ASP A 40 -8.764 -1.564 2.719 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.119 -0.098 3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.715 -1.684 5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.031 -1.857 4.702 1.00 0.00 H new ATOM 629 N ILE A 41 -8.067 1.133 3.732 1.00 0.00 N ATOM 630 CA ILE A 41 -7.202 2.252 4.049 1.00 0.00 C ATOM 631 C ILE A 41 -7.610 3.511 3.289 1.00 0.00 C ATOM 632 O ILE A 41 -7.332 4.590 3.791 1.00 0.00 O ATOM 633 CB ILE A 41 -5.732 1.835 3.803 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.299 0.705 4.776 1.00 0.00 C ATOM 635 CG2 ILE A 41 -4.746 2.991 3.887 1.00 0.00 C ATOM 636 CD1 ILE A 41 -4.777 1.154 6.148 1.00 0.00 C ATOM 0 H ILE A 41 -7.549 0.329 3.377 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.305 2.512 5.102 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.704 1.467 2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.151 0.044 4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.522 0.114 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.737 2.622 3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.000 3.741 3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.794 3.439 4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.506 0.279 6.738 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.900 1.787 6.014 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.554 1.715 6.667 1.00 0.00 H new ATOM 648 N LEU A 42 -8.318 3.429 2.149 1.00 0.00 N ATOM 649 CA LEU A 42 -8.822 4.631 1.491 1.00 0.00 C ATOM 650 C LEU A 42 -9.661 5.470 2.429 1.00 0.00 C ATOM 651 O LEU A 42 -9.544 6.696 2.338 1.00 0.00 O ATOM 652 CB LEU A 42 -9.636 4.350 0.214 1.00 0.00 C ATOM 653 CG LEU A 42 -8.869 3.913 -1.048 1.00 0.00 C ATOM 654 CD1 LEU A 42 -7.463 4.521 -1.158 1.00 0.00 C ATOM 655 CD2 LEU A 42 -8.827 2.391 -1.116 1.00 0.00 C ATOM 0 H LEU A 42 -8.548 2.555 1.676 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.926 5.178 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.366 3.575 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.196 5.252 -0.031 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.413 4.303 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.984 4.168 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.538 5.608 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.868 4.219 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.284 2.082 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.323 2.001 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.844 2.000 -1.156 1.00 0.00 H new ATOM 667 N LEU A 43 -10.438 4.884 3.346 1.00 0.00 N ATOM 668 CA LEU A 43 -11.174 5.711 4.296 1.00 0.00 C ATOM 669 C LEU A 43 -10.537 5.589 5.674 1.00 0.00 C ATOM 670 O LEU A 43 -11.232 5.312 6.655 1.00 0.00 O ATOM 671 CB LEU A 43 -12.700 5.488 4.195 1.00 0.00 C ATOM 672 CG LEU A 43 -13.434 6.096 2.980 1.00 0.00 C ATOM 673 CD1 LEU A 43 -12.805 7.391 2.484 1.00 0.00 C ATOM 674 CD2 LEU A 43 -13.496 5.103 1.817 1.00 0.00 C ATOM 0 H LEU A 43 -10.569 3.878 3.447 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.088 6.768 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.883 4.413 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.158 5.889 5.099 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.439 6.324 3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.369 7.765 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.822 8.133 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.774 7.203 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.018 5.559 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.484 4.835 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.030 4.206 2.132 1.00 0.00 H new ATOM 686 N ALA A 44 -9.211 5.768 5.756 1.00 0.00 N ATOM 687 CA ALA A 44 -8.529 5.602 7.038 1.00 0.00 C ATOM 688 C ALA A 44 -8.713 6.820 7.944 1.00 0.00 C ATOM 689 O ALA A 44 -8.885 6.654 9.153 1.00 0.00 O ATOM 690 CB ALA A 44 -7.040 5.328 6.840 1.00 0.00 C ATOM 0 H ALA A 44 -8.608 6.020 4.973 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.986 4.741 7.526 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.560 5.209 7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.912 4.415 6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.584 6.164 6.309 1.00 0.00 H new ATOM 696 N LYS A 45 -8.658 8.043 7.403 1.00 0.00 N ATOM 697 CA LYS A 45 -8.603 9.261 8.214 1.00 0.00 C ATOM 698 C LYS A 45 -9.052 10.473 7.402 1.00 0.00 C ATOM 699 O LYS A 45 -10.098 11.058 7.662 1.00 0.00 O ATOM 700 CB LYS A 45 -7.158 9.413 8.732 1.00 0.00 C ATOM 701 CG LYS A 45 -6.950 10.594 9.682 1.00 0.00 C ATOM 702 CD LYS A 45 -7.571 10.369 11.064 1.00 0.00 C ATOM 703 CE LYS A 45 -6.926 11.336 12.057 1.00 0.00 C ATOM 704 NZ LYS A 45 -7.239 10.995 13.461 1.00 0.00 N ATOM 0 H LYS A 45 -8.650 8.214 6.397 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.286 9.192 9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.870 8.495 9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.489 9.526 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.882 10.778 9.796 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.382 11.491 9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.648 10.531 11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.415 9.339 11.385 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.845 11.329 11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.268 12.349 11.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.779 11.679 14.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.269 11.027 13.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.890 10.038 13.672 1.00 0.00 H new ATOM 718 N ASP A 46 -8.264 10.799 6.391 1.00 0.00 N ATOM 719 CA ASP A 46 -8.384 11.893 5.429 1.00 0.00 C ATOM 720 C ASP A 46 -8.003 11.271 4.090 1.00 0.00 C ATOM 721 O ASP A 46 -7.404 10.192 4.097 1.00 0.00 O ATOM 722 CB ASP A 46 -7.389 13.016 5.774 1.00 0.00 C ATOM 723 CG ASP A 46 -8.076 14.199 6.443 1.00 0.00 C ATOM 724 OD1 ASP A 46 -8.726 14.987 5.719 1.00 0.00 O ATOM 725 OD2 ASP A 46 -7.968 14.334 7.684 1.00 0.00 O ATOM 0 H ASP A 46 -7.430 10.244 6.200 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.383 12.329 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.615 12.625 6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.892 13.352 4.864 1.00 0.00 H new ATOM 730 N THR A 47 -8.319 11.883 2.945 1.00 0.00 N ATOM 731 CA THR A 47 -7.992 11.281 1.645 1.00 0.00 C ATOM 732 C THR A 47 -6.478 11.056 1.506 1.00 0.00 C ATOM 733 O THR A 47 -6.066 10.061 0.912 1.00 0.00 O ATOM 734 CB THR A 47 -8.545 12.136 0.490 1.00 0.00 C ATOM 735 OG1 THR A 47 -9.867 12.549 0.800 1.00 0.00 O ATOM 736 CG2 THR A 47 -8.560 11.354 -0.825 1.00 0.00 C ATOM 0 H THR A 47 -8.795 12.783 2.889 1.00 0.00 H new ATOM 0 HA THR A 47 -8.473 10.304 1.592 1.00 0.00 H new ATOM 0 HB THR A 47 -7.895 13.002 0.368 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.220 13.095 0.066 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.956 11.986 -1.620 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.545 11.047 -1.077 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.190 10.471 -0.716 1.00 0.00 H new ATOM 744 N THR A 48 -5.691 11.955 2.098 1.00 0.00 N ATOM 745 CA THR A 48 -4.245 11.965 2.160 1.00 0.00 C ATOM 746 C THR A 48 -3.716 10.777 2.986 1.00 0.00 C ATOM 747 O THR A 48 -3.295 9.781 2.398 1.00 0.00 O ATOM 748 CB THR A 48 -3.865 13.353 2.716 1.00 0.00 C ATOM 749 OG1 THR A 48 -4.528 14.396 2.017 1.00 0.00 O ATOM 750 CG2 THR A 48 -2.377 13.634 2.659 1.00 0.00 C ATOM 0 H THR A 48 -6.091 12.758 2.584 1.00 0.00 H new ATOM 0 HA THR A 48 -3.778 11.826 1.185 1.00 0.00 H new ATOM 0 HB THR A 48 -4.180 13.329 3.759 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.266 15.261 2.395 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.178 14.626 3.065 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.843 12.887 3.247 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.038 13.591 1.624 1.00 0.00 H new ATOM 758 N GLU A 49 -3.793 10.842 4.326 1.00 0.00 N ATOM 759 CA GLU A 49 -3.168 9.875 5.242 1.00 0.00 C ATOM 760 C GLU A 49 -3.622 8.433 4.989 1.00 0.00 C ATOM 761 O GLU A 49 -2.950 7.485 5.385 1.00 0.00 O ATOM 762 CB GLU A 49 -3.535 10.212 6.693 1.00 0.00 C ATOM 763 CG GLU A 49 -2.748 11.354 7.338 1.00 0.00 C ATOM 764 CD GLU A 49 -3.191 11.493 8.799 1.00 0.00 C ATOM 765 OE1 GLU A 49 -2.862 10.619 9.631 1.00 0.00 O ATOM 766 OE2 GLU A 49 -3.954 12.449 9.103 1.00 0.00 O ATOM 0 H GLU A 49 -4.301 11.582 4.811 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.095 9.946 5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.595 10.462 6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.398 9.316 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.678 11.152 7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.924 12.285 6.800 1.00 0.00 H new ATOM 773 N ALA A 50 -4.793 8.275 4.376 1.00 0.00 N ATOM 774 CA ALA A 50 -5.322 7.050 3.837 1.00 0.00 C ATOM 775 C ALA A 50 -4.378 6.467 2.790 1.00 0.00 C ATOM 776 O ALA A 50 -3.575 5.597 3.110 1.00 0.00 O ATOM 777 CB ALA A 50 -6.695 7.394 3.268 1.00 0.00 C ATOM 0 H ALA A 50 -5.431 9.059 4.240 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.418 6.277 4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.147 6.498 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.332 7.780 4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.588 8.150 2.490 1.00 0.00 H new ATOM 783 N PHE A 51 -4.483 6.916 1.541 1.00 0.00 N ATOM 784 CA PHE A 51 -3.691 6.396 0.426 1.00 0.00 C ATOM 785 C PHE A 51 -2.191 6.326 0.768 1.00 0.00 C ATOM 786 O PHE A 51 -1.512 5.368 0.397 1.00 0.00 O ATOM 787 CB PHE A 51 -3.971 7.187 -0.865 1.00 0.00 C ATOM 788 CG PHE A 51 -2.724 7.768 -1.530 1.00 0.00 C ATOM 789 CD1 PHE A 51 -1.851 6.919 -2.246 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.344 9.106 -1.302 1.00 0.00 C ATOM 791 CE1 PHE A 51 -0.621 7.390 -2.722 1.00 0.00 C ATOM 792 CE2 PHE A 51 -1.101 9.577 -1.770 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.237 8.713 -2.472 1.00 0.00 C ATOM 0 H PHE A 51 -5.127 7.659 1.271 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.004 5.368 0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.476 6.533 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.659 8.001 -0.636 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.136 5.893 -2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.006 9.771 -0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.030 6.734 -3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.810 10.601 -1.590 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.722 9.071 -2.817 1.00 0.00 H new ATOM 803 N GLU A 52 -1.678 7.300 1.515 1.00 0.00 N ATOM 804 CA GLU A 52 -0.313 7.313 2.012 1.00 0.00 C ATOM 805 C GLU A 52 0.001 6.037 2.798 1.00 0.00 C ATOM 806 O GLU A 52 0.979 5.341 2.504 1.00 0.00 O ATOM 807 CB GLU A 52 -0.141 8.568 2.867 1.00 0.00 C ATOM 808 CG GLU A 52 -0.073 9.796 1.947 1.00 0.00 C ATOM 809 CD GLU A 52 0.040 11.115 2.703 1.00 0.00 C ATOM 810 OE1 GLU A 52 -0.397 11.174 3.868 1.00 0.00 O ATOM 811 OE2 GLU A 52 0.552 12.078 2.086 1.00 0.00 O ATOM 0 H GLU A 52 -2.216 8.120 1.796 1.00 0.00 H new ATOM 0 HA GLU A 52 0.393 7.337 1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.974 8.666 3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.768 8.495 3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.783 9.694 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.964 9.821 1.320 1.00 0.00 H new ATOM 818 N LYS A 53 -0.855 5.659 3.747 1.00 0.00 N ATOM 819 CA LYS A 53 -0.682 4.419 4.490 1.00 0.00 C ATOM 820 C LYS A 53 -0.889 3.211 3.590 1.00 0.00 C ATOM 821 O LYS A 53 -0.275 2.189 3.867 1.00 0.00 O ATOM 822 CB LYS A 53 -1.602 4.384 5.719 1.00 0.00 C ATOM 823 CG LYS A 53 -0.971 5.187 6.867 1.00 0.00 C ATOM 824 CD LYS A 53 -1.987 5.467 7.978 1.00 0.00 C ATOM 825 CE LYS A 53 -1.301 6.075 9.207 1.00 0.00 C ATOM 826 NZ LYS A 53 -0.793 5.037 10.126 1.00 0.00 N ATOM 0 H LYS A 53 -1.677 6.199 4.017 1.00 0.00 H new ATOM 0 HA LYS A 53 0.345 4.378 4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.577 4.800 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.766 3.353 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.125 4.635 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.581 6.129 6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.755 6.148 7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.490 4.541 8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.475 6.710 8.885 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.007 6.715 9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.337 5.490 10.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.584 4.447 10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.100 4.442 9.629 1.00 0.00 H new ATOM 840 N MET A 54 -1.668 3.289 2.505 1.00 0.00 N ATOM 841 CA MET A 54 -1.796 2.191 1.538 1.00 0.00 C ATOM 842 C MET A 54 -0.451 1.846 0.916 1.00 0.00 C ATOM 843 O MET A 54 -0.148 0.678 0.666 1.00 0.00 O ATOM 844 CB MET A 54 -2.877 2.475 0.488 1.00 0.00 C ATOM 845 CG MET A 54 -2.640 1.915 -0.937 1.00 0.00 C ATOM 846 SD MET A 54 -2.223 3.060 -2.277 1.00 0.00 S ATOM 847 CE MET A 54 -3.861 3.762 -2.603 1.00 0.00 C ATOM 0 H MET A 54 -2.225 4.111 2.273 1.00 0.00 H new ATOM 0 HA MET A 54 -2.129 1.307 2.082 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.821 2.073 0.857 1.00 0.00 H new ATOM 0 HB3 MET A 54 -2.999 3.555 0.411 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.838 1.180 -0.872 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.541 1.378 -1.233 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.761 4.635 -3.249 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.485 3.016 -3.095 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.324 4.058 -1.662 1.00 0.00 H new ATOM 857 N VAL A 55 0.350 2.858 0.639 1.00 0.00 N ATOM 858 CA VAL A 55 1.707 2.652 0.191 1.00 0.00 C ATOM 859 C VAL A 55 2.539 2.117 1.375 1.00 0.00 C ATOM 860 O VAL A 55 3.323 1.191 1.163 1.00 0.00 O ATOM 861 CB VAL A 55 2.189 3.972 -0.439 1.00 0.00 C ATOM 862 CG1 VAL A 55 3.648 3.941 -0.889 1.00 0.00 C ATOM 863 CG2 VAL A 55 1.322 4.346 -1.660 1.00 0.00 C ATOM 0 H VAL A 55 0.077 3.838 0.719 1.00 0.00 H new ATOM 0 HA VAL A 55 1.809 1.894 -0.585 1.00 0.00 H new ATOM 0 HB VAL A 55 2.095 4.715 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.916 4.905 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.289 3.738 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.782 3.158 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.681 5.282 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.387 3.556 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.285 4.465 -1.347 1.00 0.00 H new ATOM 873 N SER A 56 2.315 2.594 2.611 1.00 0.00 N ATOM 874 CA SER A 56 3.212 2.331 3.736 1.00 0.00 C ATOM 875 C SER A 56 3.008 0.960 4.413 1.00 0.00 C ATOM 876 O SER A 56 3.941 0.412 5.003 1.00 0.00 O ATOM 877 CB SER A 56 3.230 3.539 4.699 1.00 0.00 C ATOM 878 OG SER A 56 4.347 3.523 5.581 1.00 0.00 O ATOM 0 H SER A 56 1.509 3.170 2.852 1.00 0.00 H new ATOM 0 HA SER A 56 4.220 2.231 3.333 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.244 4.461 4.118 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.310 3.545 5.284 1.00 0.00 H new ATOM 0 HG SER A 56 4.312 4.308 6.167 1.00 0.00 H new ATOM 884 N LEU A 57 1.843 0.323 4.265 1.00 0.00 N ATOM 885 CA LEU A 57 1.732 -1.127 4.459 1.00 0.00 C ATOM 886 C LEU A 57 2.630 -1.845 3.469 1.00 0.00 C ATOM 887 O LEU A 57 3.355 -2.763 3.848 1.00 0.00 O ATOM 888 CB LEU A 57 0.308 -1.710 4.313 1.00 0.00 C ATOM 889 CG LEU A 57 -0.669 -0.962 3.389 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.290 -1.840 2.294 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.842 -0.429 4.205 1.00 0.00 C ATOM 0 H LEU A 57 0.969 0.784 4.013 1.00 0.00 H new ATOM 0 HA LEU A 57 2.031 -1.289 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.398 -2.734 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.139 -1.761 5.306 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.073 -0.178 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.966 -1.239 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.500 -2.248 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.845 -2.657 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.532 0.100 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.361 -1.260 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.473 0.255 4.969 1.00 0.00 H new ATOM 903 N LEU A 58 2.514 -1.524 2.179 1.00 0.00 N ATOM 904 CA LEU A 58 3.134 -2.373 1.173 1.00 0.00 C ATOM 905 C LEU A 58 4.655 -2.252 1.146 1.00 0.00 C ATOM 906 O LEU A 58 5.307 -3.232 0.794 1.00 0.00 O ATOM 907 CB LEU A 58 2.472 -2.230 -0.205 1.00 0.00 C ATOM 908 CG LEU A 58 1.843 -3.554 -0.672 1.00 0.00 C ATOM 909 CD1 LEU A 58 0.690 -4.081 0.195 1.00 0.00 C ATOM 910 CD2 LEU A 58 1.297 -3.358 -2.083 1.00 0.00 C ATOM 0 H LEU A 58 2.014 -0.711 1.819 1.00 0.00 H new ATOM 0 HA LEU A 58 2.944 -3.402 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.704 -1.457 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.214 -1.902 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 58 2.642 -4.292 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.320 -5.017 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.047 -4.252 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.116 -3.348 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.847 -4.288 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.544 -2.570 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.110 -3.076 -2.752 1.00 0.00 H new ATOM 922 N SER A 59 5.233 -1.131 1.577 1.00 0.00 N ATOM 923 CA SER A 59 6.672 -1.008 1.790 1.00 0.00 C ATOM 924 C SER A 59 7.175 -1.998 2.833 1.00 0.00 C ATOM 925 O SER A 59 8.113 -2.752 2.580 1.00 0.00 O ATOM 926 CB SER A 59 7.019 0.430 2.182 1.00 0.00 C ATOM 927 OG SER A 59 6.082 0.910 3.115 1.00 0.00 O ATOM 0 H SER A 59 4.712 -0.280 1.789 1.00 0.00 H new ATOM 0 HA SER A 59 7.177 -1.250 0.855 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.022 0.469 2.608 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.024 1.067 1.297 1.00 0.00 H new ATOM 0 HG SER A 59 6.543 1.437 3.800 1.00 0.00 H new ATOM 933 N VAL A 60 6.547 -2.004 4.003 1.00 0.00 N ATOM 934 CA VAL A 60 7.000 -2.844 5.108 1.00 0.00 C ATOM 935 C VAL A 60 6.671 -4.314 4.826 1.00 0.00 C ATOM 936 O VAL A 60 7.405 -5.200 5.251 1.00 0.00 O ATOM 937 CB VAL A 60 6.487 -2.308 6.463 1.00 0.00 C ATOM 938 CG1 VAL A 60 4.992 -2.553 6.713 1.00 0.00 C ATOM 939 CG2 VAL A 60 7.300 -2.874 7.635 1.00 0.00 C ATOM 0 H VAL A 60 5.724 -1.438 4.212 1.00 0.00 H new ATOM 0 HA VAL A 60 8.086 -2.797 5.189 1.00 0.00 H new ATOM 0 HB VAL A 60 6.625 -1.228 6.402 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.714 -2.146 7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.408 -2.063 5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.791 -3.624 6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.912 -2.476 8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.220 -3.961 7.642 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.346 -2.587 7.524 1.00 0.00 H new ATOM 949 N LEU A 61 5.600 -4.601 4.080 1.00 0.00 N ATOM 950 CA LEU A 61 5.243 -5.940 3.623 1.00 0.00 C ATOM 951 C LEU A 61 6.248 -6.456 2.600 1.00 0.00 C ATOM 952 O LEU A 61 6.424 -7.667 2.492 1.00 0.00 O ATOM 953 CB LEU A 61 3.811 -5.863 3.072 1.00 0.00 C ATOM 954 CG LEU A 61 3.276 -6.897 2.063 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.873 -6.737 0.659 1.00 0.00 C ATOM 956 CD2 LEU A 61 3.313 -8.338 2.573 1.00 0.00 C ATOM 0 H LEU A 61 4.942 -3.886 3.771 1.00 0.00 H new ATOM 0 HA LEU A 61 5.275 -6.659 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.140 -5.884 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.704 -4.883 2.607 1.00 0.00 H new ATOM 0 HG LEU A 61 2.216 -6.664 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.455 -7.495 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.634 -5.746 0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.955 -6.855 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.920 -9.006 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.341 -8.616 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.704 -8.421 3.473 1.00 0.00 H new ATOM 968 N LEU A 62 6.917 -5.577 1.846 1.00 0.00 N ATOM 969 CA LEU A 62 7.821 -6.011 0.791 1.00 0.00 C ATOM 970 C LEU A 62 8.950 -6.888 1.352 1.00 0.00 C ATOM 971 O LEU A 62 9.512 -7.662 0.586 1.00 0.00 O ATOM 972 CB LEU A 62 8.399 -4.814 0.010 1.00 0.00 C ATOM 973 CG LEU A 62 8.173 -4.774 -1.514 1.00 0.00 C ATOM 974 CD1 LEU A 62 8.346 -6.102 -2.256 1.00 0.00 C ATOM 975 CD2 LEU A 62 6.802 -4.187 -1.864 1.00 0.00 C ATOM 0 H LEU A 62 6.846 -4.565 1.951 1.00 0.00 H new ATOM 0 HA LEU A 62 7.237 -6.612 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.979 -3.902 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.474 -4.784 0.190 1.00 0.00 H new ATOM 0 HG LEU A 62 8.978 -4.128 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.162 -5.951 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.362 -6.470 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.637 -6.832 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.677 -4.174 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.019 -4.799 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.733 -3.170 -1.479 1.00 0.00 H new ATOM 987 N SER A 63 9.266 -6.817 2.654 1.00 0.00 N ATOM 988 CA SER A 63 10.365 -7.557 3.271 1.00 0.00 C ATOM 989 C SER A 63 10.186 -9.056 3.042 1.00 0.00 C ATOM 990 O SER A 63 10.945 -9.663 2.291 1.00 0.00 O ATOM 991 CB SER A 63 10.485 -7.210 4.762 1.00 0.00 C ATOM 992 OG SER A 63 9.259 -7.415 5.440 1.00 0.00 O ATOM 0 H SER A 63 8.753 -6.233 3.314 1.00 0.00 H new ATOM 0 HA SER A 63 11.302 -7.262 2.799 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.262 -7.823 5.219 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.794 -6.170 4.872 1.00 0.00 H new ATOM 0 HG SER A 63 8.689 -6.625 5.331 1.00 0.00 H new ATOM 998 N MET A 64 9.133 -9.619 3.632 1.00 0.00 N ATOM 999 CA MET A 64 8.731 -11.013 3.502 1.00 0.00 C ATOM 1000 C MET A 64 8.300 -11.343 2.078 1.00 0.00 C ATOM 1001 O MET A 64 8.322 -12.506 1.679 1.00 0.00 O ATOM 1002 CB MET A 64 7.575 -11.308 4.467 1.00 0.00 C ATOM 1003 CG MET A 64 6.292 -10.563 4.063 1.00 0.00 C ATOM 1004 SD MET A 64 4.893 -10.695 5.207 1.00 0.00 S ATOM 1005 CE MET A 64 5.367 -9.320 6.279 1.00 0.00 C ATOM 0 H MET A 64 8.510 -9.089 4.241 1.00 0.00 H new ATOM 0 HA MET A 64 9.592 -11.634 3.747 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.382 -12.381 4.486 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.862 -11.017 5.478 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.534 -9.507 3.939 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.973 -10.934 3.089 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.061 -9.535 7.303 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.448 -9.187 6.244 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.878 -8.408 5.938 1.00 0.00 H new ATOM 1015 N GLN A 65 7.871 -10.336 1.306 1.00 0.00 N ATOM 1016 CA GLN A 65 7.569 -10.560 -0.095 1.00 0.00 C ATOM 1017 C GLN A 65 8.868 -10.957 -0.811 1.00 0.00 C ATOM 1018 O GLN A 65 8.838 -11.761 -1.741 1.00 0.00 O ATOM 1019 CB GLN A 65 6.990 -9.291 -0.736 1.00 0.00 C ATOM 1020 CG GLN A 65 5.840 -9.467 -1.737 1.00 0.00 C ATOM 1021 CD GLN A 65 5.966 -10.626 -2.730 1.00 0.00 C ATOM 1022 OE1 GLN A 65 5.289 -11.645 -2.583 1.00 0.00 O ATOM 1023 NE2 GLN A 65 6.768 -10.506 -3.771 1.00 0.00 N ATOM 0 H GLN A 65 7.730 -9.379 1.629 1.00 0.00 H new ATOM 0 HA GLN A 65 6.826 -11.353 -0.185 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.643 -8.638 0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.802 -8.770 -1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.916 -9.600 -1.174 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.738 -8.542 -2.304 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.327 -9.661 -3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.829 -11.258 -4.457 1.00 0.00 H new ATOM 1032 N GLY A 66 10.003 -10.411 -0.364 1.00 0.00 N ATOM 1033 CA GLY A 66 11.345 -10.728 -0.814 1.00 0.00 C ATOM 1034 C GLY A 66 12.239 -9.500 -0.974 1.00 0.00 C ATOM 1035 O GLY A 66 12.966 -9.417 -1.967 1.00 0.00 O ATOM 0 H GLY A 66 10.000 -9.696 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.806 -11.413 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.286 -11.251 -1.768 1.00 0.00 H new ATOM 1039 N ALA A 67 12.204 -8.540 -0.046 1.00 0.00 N ATOM 1040 CA ALA A 67 12.962 -7.295 -0.126 1.00 0.00 C ATOM 1041 C ALA A 67 13.741 -7.067 1.168 1.00 0.00 C ATOM 1042 O ALA A 67 13.350 -6.288 2.039 1.00 0.00 O ATOM 1043 CB ALA A 67 12.046 -6.134 -0.513 1.00 0.00 C ATOM 0 H ALA A 67 11.635 -8.611 0.798 1.00 0.00 H new ATOM 0 HA ALA A 67 13.706 -7.363 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.628 -5.214 -0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.594 -6.336 -1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.262 -6.023 0.237 1.00 0.00 H new ATOM 1049 N VAL A 68 14.877 -7.752 1.238 1.00 0.00 N ATOM 1050 CA VAL A 68 15.746 -8.028 2.377 1.00 0.00 C ATOM 1051 C VAL A 68 16.087 -6.835 3.290 1.00 0.00 C ATOM 1052 O VAL A 68 16.400 -7.045 4.463 1.00 0.00 O ATOM 1053 CB VAL A 68 17.018 -8.712 1.824 1.00 0.00 C ATOM 1054 CG1 VAL A 68 16.679 -10.025 1.098 1.00 0.00 C ATOM 1055 CG2 VAL A 68 17.785 -7.843 0.809 1.00 0.00 C ATOM 0 H VAL A 68 15.257 -8.179 0.393 1.00 0.00 H new ATOM 0 HA VAL A 68 15.189 -8.675 3.055 1.00 0.00 H new ATOM 0 HB VAL A 68 17.638 -8.886 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.595 -10.480 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.193 -10.710 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.008 -9.817 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.666 -8.382 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.138 -7.618 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 68 18.094 -6.913 1.286 1.00 0.00 H new ATOM 1065 N ASP A 69 16.025 -5.595 2.799 1.00 0.00 N ATOM 1066 CA ASP A 69 16.514 -4.401 3.501 1.00 0.00 C ATOM 1067 C ASP A 69 15.563 -3.214 3.316 1.00 0.00 C ATOM 1068 O ASP A 69 15.819 -2.116 3.803 1.00 0.00 O ATOM 1069 CB ASP A 69 17.930 -4.089 2.983 1.00 0.00 C ATOM 1070 CG ASP A 69 18.978 -4.906 3.733 1.00 0.00 C ATOM 1071 OD1 ASP A 69 19.290 -6.051 3.325 1.00 0.00 O ATOM 1072 OD2 ASP A 69 19.463 -4.419 4.776 1.00 0.00 O ATOM 0 H ASP A 69 15.626 -5.386 1.884 1.00 0.00 H new ATOM 0 HA ASP A 69 16.553 -4.590 4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 69 17.988 -4.308 1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.139 -3.026 3.102 1.00 0.00 H new ATOM 1077 N ILE A 70 14.430 -3.400 2.638 1.00 0.00 N ATOM 1078 CA ILE A 70 13.644 -2.312 2.083 1.00 0.00 C ATOM 1079 C ILE A 70 12.968 -1.511 3.167 1.00 0.00 C ATOM 1080 O ILE A 70 12.657 -0.359 2.924 1.00 0.00 O ATOM 1081 CB ILE A 70 12.686 -2.860 1.004 1.00 0.00 C ATOM 1082 CG1 ILE A 70 13.261 -2.559 -0.396 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.220 -2.416 1.114 1.00 0.00 C ATOM 1084 CD1 ILE A 70 14.671 -3.145 -0.611 1.00 0.00 C ATOM 0 H ILE A 70 14.033 -4.323 2.460 1.00 0.00 H new ATOM 0 HA ILE A 70 14.300 -1.600 1.583 1.00 0.00 H new ATOM 0 HB ILE A 70 12.636 -3.935 1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.588 -2.962 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.297 -1.480 -0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.643 -2.862 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.813 -2.740 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.163 -1.330 1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 70 15.018 -2.898 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.356 -2.723 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 70 14.636 -4.228 -0.495 1.00 0.00 H new ATOM 1096 N ASN A 71 12.783 -2.084 4.348 1.00 0.00 N ATOM 1097 CA ASN A 71 12.188 -1.395 5.468 1.00 0.00 C ATOM 1098 C ASN A 71 12.774 0.009 5.637 1.00 0.00 C ATOM 1099 O ASN A 71 12.043 0.993 5.585 1.00 0.00 O ATOM 1100 CB ASN A 71 12.370 -2.281 6.697 1.00 0.00 C ATOM 1101 CG ASN A 71 12.201 -1.529 8.010 1.00 0.00 C ATOM 1102 OD1 ASN A 71 13.201 -1.287 8.677 1.00 0.00 O ATOM 1103 ND2 ASN A 71 10.993 -1.162 8.405 1.00 0.00 N ATOM 0 H ASN A 71 13.046 -3.048 4.550 1.00 0.00 H new ATOM 0 HA ASN A 71 11.123 -1.231 5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.649 -3.097 6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.362 -2.731 6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.874 -0.663 9.287 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.180 -1.378 7.828 1.00 0.00 H new ATOM 1110 N ARG A 72 14.097 0.110 5.746 1.00 0.00 N ATOM 1111 CA ARG A 72 14.794 1.379 5.867 1.00 0.00 C ATOM 1112 C ARG A 72 14.814 2.131 4.534 1.00 0.00 C ATOM 1113 O ARG A 72 14.509 3.316 4.463 1.00 0.00 O ATOM 1114 CB ARG A 72 16.228 1.078 6.278 1.00 0.00 C ATOM 1115 CG ARG A 72 16.351 0.048 7.406 1.00 0.00 C ATOM 1116 CD ARG A 72 16.907 -1.283 6.868 1.00 0.00 C ATOM 1117 NE ARG A 72 17.568 -2.125 7.873 1.00 0.00 N ATOM 1118 CZ ARG A 72 16.992 -2.937 8.763 1.00 0.00 C ATOM 1119 NH1 ARG A 72 15.682 -2.875 8.981 1.00 0.00 N ATOM 1120 NH2 ARG A 72 17.735 -3.822 9.421 1.00 0.00 N ATOM 0 H ARG A 72 14.718 -0.699 5.752 1.00 0.00 H new ATOM 0 HA ARG A 72 14.283 2.002 6.602 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.776 0.716 5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.707 2.005 6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 72 17.007 0.433 8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.375 -0.118 7.862 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.089 -1.849 6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 72 17.618 -1.068 6.070 1.00 0.00 H new ATOM 0 HE ARG A 72 18.587 -2.085 7.894 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.111 -2.204 8.467 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.248 -3.498 9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.738 -3.877 9.244 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.302 -4.445 10.102 1.00 0.00 H new ATOM 1134 N LEU A 73 15.173 1.445 3.447 1.00 0.00 N ATOM 1135 CA LEU A 73 15.373 2.033 2.121 1.00 0.00 C ATOM 1136 C LEU A 73 14.084 2.572 1.510 1.00 0.00 C ATOM 1137 O LEU A 73 14.106 3.208 0.455 1.00 0.00 O ATOM 1138 CB LEU A 73 15.981 0.972 1.196 1.00 0.00 C ATOM 1139 CG LEU A 73 17.493 0.874 1.387 1.00 0.00 C ATOM 1140 CD1 LEU A 73 17.938 0.446 2.785 1.00 0.00 C ATOM 1141 CD2 LEU A 73 18.108 -0.090 0.370 1.00 0.00 C ATOM 0 H LEU A 73 15.337 0.438 3.465 1.00 0.00 H new ATOM 0 HA LEU A 73 16.046 2.883 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 73 15.523 0.004 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 73 15.758 1.220 0.158 1.00 0.00 H new ATOM 0 HG LEU A 73 17.851 1.893 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.027 0.405 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.576 1.166 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.529 -0.539 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.186 -0.144 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.673 -1.081 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.904 0.267 -0.639 1.00 0.00 H new ATOM 1153 N CYS A 74 12.957 2.295 2.149 1.00 0.00 N ATOM 1154 CA CYS A 74 11.665 2.776 1.786 1.00 0.00 C ATOM 1155 C CYS A 74 11.275 3.873 2.774 1.00 0.00 C ATOM 1156 O CYS A 74 10.650 4.802 2.302 1.00 0.00 O ATOM 1157 CB CYS A 74 10.678 1.606 1.713 1.00 0.00 C ATOM 1158 SG CYS A 74 9.526 1.858 0.336 1.00 0.00 S ATOM 0 H CYS A 74 12.936 1.697 2.975 1.00 0.00 H new ATOM 0 HA CYS A 74 11.657 3.222 0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 74 11.219 0.670 1.579 1.00 0.00 H new ATOM 0 HB3 CYS A 74 10.127 1.524 2.650 1.00 0.00 H new ATOM 0 HG CYS A 74 8.989 0.721 0.006 1.00 0.00 H new ATOM 1164 N GLU A 75 11.663 3.867 4.064 1.00 0.00 N ATOM 1165 CA GLU A 75 11.335 4.965 4.981 1.00 0.00 C ATOM 1166 C GLU A 75 11.845 6.302 4.406 1.00 0.00 C ATOM 1167 O GLU A 75 11.184 7.335 4.454 1.00 0.00 O ATOM 1168 CB GLU A 75 11.856 4.625 6.391 1.00 0.00 C ATOM 1169 CG GLU A 75 13.321 4.958 6.673 1.00 0.00 C ATOM 1170 CD GLU A 75 13.530 5.985 7.791 1.00 0.00 C ATOM 1171 OE1 GLU A 75 13.668 5.589 8.967 1.00 0.00 O ATOM 1172 OE2 GLU A 75 13.704 7.191 7.491 1.00 0.00 O ATOM 0 H GLU A 75 12.203 3.113 4.490 1.00 0.00 H new ATOM 0 HA GLU A 75 10.257 5.088 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.240 5.152 7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.709 3.558 6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.846 4.040 6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.778 5.336 5.758 1.00 0.00 H new ATOM 1179 N GLU A 76 12.964 6.245 3.688 1.00 0.00 N ATOM 1180 CA GLU A 76 13.604 7.400 3.060 1.00 0.00 C ATOM 1181 C GLU A 76 12.960 7.757 1.711 1.00 0.00 C ATOM 1182 O GLU A 76 13.396 8.660 1.008 1.00 0.00 O ATOM 1183 CB GLU A 76 15.116 7.198 2.923 1.00 0.00 C ATOM 1184 CG GLU A 76 15.802 7.336 4.286 1.00 0.00 C ATOM 1185 CD GLU A 76 17.312 7.449 4.132 1.00 0.00 C ATOM 1186 OE1 GLU A 76 17.898 6.603 3.415 1.00 0.00 O ATOM 1187 OE2 GLU A 76 17.908 8.423 4.645 1.00 0.00 O ATOM 0 H GLU A 76 13.464 5.372 3.522 1.00 0.00 H new ATOM 0 HA GLU A 76 13.443 8.250 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.321 6.213 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.525 7.931 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.419 8.217 4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.560 6.473 4.907 1.00 0.00 H new ATOM 1194 N MET A 77 11.934 7.005 1.329 1.00 0.00 N ATOM 1195 CA MET A 77 11.094 7.111 0.156 1.00 0.00 C ATOM 1196 C MET A 77 9.629 7.315 0.579 1.00 0.00 C ATOM 1197 O MET A 77 8.755 7.396 -0.281 1.00 0.00 O ATOM 1198 CB MET A 77 11.269 5.823 -0.660 1.00 0.00 C ATOM 1199 CG MET A 77 11.384 6.075 -2.166 1.00 0.00 C ATOM 1200 SD MET A 77 9.845 6.438 -3.054 1.00 0.00 S ATOM 1201 CE MET A 77 10.541 7.361 -4.448 1.00 0.00 C ATOM 0 H MET A 77 11.643 6.216 1.906 1.00 0.00 H new ATOM 0 HA MET A 77 11.377 7.969 -0.454 1.00 0.00 H new ATOM 0 HB2 MET A 77 12.162 5.301 -0.316 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.422 5.163 -0.472 1.00 0.00 H new ATOM 0 HG2 MET A 77 12.070 6.908 -2.320 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.841 5.198 -2.623 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.737 7.674 -5.115 1.00 0.00 H new ATOM 0 HE2 MET A 77 11.067 8.240 -4.076 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.238 6.725 -4.993 1.00 0.00 H new ATOM 1211 N LEU A 78 9.330 7.364 1.877 1.00 0.00 N ATOM 1212 CA LEU A 78 7.982 7.474 2.418 1.00 0.00 C ATOM 1213 C LEU A 78 8.036 8.638 3.393 1.00 0.00 C ATOM 1214 O LEU A 78 7.723 9.772 3.060 1.00 0.00 O ATOM 1215 CB LEU A 78 7.527 6.188 3.126 1.00 0.00 C ATOM 1216 CG LEU A 78 7.569 4.889 2.301 1.00 0.00 C ATOM 1217 CD1 LEU A 78 8.020 3.734 3.206 1.00 0.00 C ATOM 1218 CD2 LEU A 78 6.209 4.581 1.672 1.00 0.00 C ATOM 0 H LEU A 78 10.046 7.327 2.602 1.00 0.00 H new ATOM 0 HA LEU A 78 7.256 7.633 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.149 6.049 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.505 6.336 3.475 1.00 0.00 H new ATOM 0 HG LEU A 78 8.280 5.015 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.052 2.810 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.012 3.949 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.316 3.622 4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.275 3.657 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.462 4.467 2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.919 5.399 1.013 1.00 0.00 H new ATOM 1230 N ASP A 79 8.582 8.398 4.566 1.00 0.00 N ATOM 1231 CA ASP A 79 8.607 9.367 5.641 1.00 0.00 C ATOM 1232 C ASP A 79 9.405 10.584 5.189 1.00 0.00 C ATOM 1233 O ASP A 79 8.989 11.721 5.396 1.00 0.00 O ATOM 1234 CB ASP A 79 9.209 8.737 6.893 1.00 0.00 C ATOM 1235 CG ASP A 79 8.327 7.600 7.439 1.00 0.00 C ATOM 1236 OD1 ASP A 79 8.290 6.500 6.831 1.00 0.00 O ATOM 1237 OD2 ASP A 79 7.630 7.813 8.457 1.00 0.00 O ATOM 0 H ASP A 79 9.027 7.512 4.803 1.00 0.00 H new ATOM 0 HA ASP A 79 7.594 9.686 5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.202 8.349 6.664 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.334 9.501 7.660 1.00 0.00 H new ATOM 1242 N ASN A 80 10.510 10.359 4.477 1.00 0.00 N ATOM 1243 CA ASN A 80 11.334 11.433 3.932 1.00 0.00 C ATOM 1244 C ASN A 80 10.826 11.988 2.595 1.00 0.00 C ATOM 1245 O ASN A 80 11.344 13.004 2.126 1.00 0.00 O ATOM 1246 CB ASN A 80 12.757 10.918 3.762 1.00 0.00 C ATOM 1247 CG ASN A 80 13.772 11.997 4.086 1.00 0.00 C ATOM 1248 OD1 ASN A 80 14.350 12.618 3.201 1.00 0.00 O ATOM 1249 ND2 ASN A 80 14.009 12.214 5.364 1.00 0.00 N ATOM 0 H ASN A 80 10.858 9.424 4.263 1.00 0.00 H new ATOM 0 HA ASN A 80 11.289 12.260 4.640 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.916 10.058 4.413 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.902 10.574 2.738 1.00 0.00 H new ATOM 0 HD21 ASN A 80 14.692 12.918 5.644 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.509 11.678 6.074 1.00 0.00 H new ATOM 1256 N ARG A 81 9.833 11.345 1.967 1.00 0.00 N ATOM 1257 CA ARG A 81 9.225 11.774 0.707 1.00 0.00 C ATOM 1258 C ARG A 81 8.681 13.179 0.888 1.00 0.00 C ATOM 1259 O ARG A 81 9.003 14.069 0.099 1.00 0.00 O ATOM 1260 CB ARG A 81 8.098 10.797 0.331 1.00 0.00 C ATOM 1261 CG ARG A 81 7.483 10.960 -1.056 1.00 0.00 C ATOM 1262 CD ARG A 81 8.245 10.241 -2.156 1.00 0.00 C ATOM 1263 NE ARG A 81 7.657 10.584 -3.462 1.00 0.00 N ATOM 1264 CZ ARG A 81 6.494 10.146 -3.965 1.00 0.00 C ATOM 1265 NH1 ARG A 81 5.837 9.128 -3.412 1.00 0.00 N ATOM 1266 NH2 ARG A 81 5.964 10.742 -5.029 1.00 0.00 N ATOM 0 H ARG A 81 9.421 10.488 2.335 1.00 0.00 H new ATOM 0 HA ARG A 81 9.962 11.777 -0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.486 9.782 0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.302 10.895 1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.459 10.588 -1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.432 12.022 -1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.297 10.527 -2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.204 9.163 -1.998 1.00 0.00 H new ATOM 0 HE ARG A 81 8.193 11.225 -4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.217 8.663 -2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.954 8.813 -3.813 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.442 11.532 -5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.079 10.409 -5.412 1.00 0.00 H new ATOM 1280 N ALA A 82 7.865 13.372 1.930 1.00 0.00 N ATOM 1281 CA ALA A 82 7.207 14.648 2.193 1.00 0.00 C ATOM 1282 C ALA A 82 6.837 14.822 3.668 1.00 0.00 C ATOM 1283 O ALA A 82 6.016 15.695 3.966 1.00 0.00 O ATOM 1284 CB ALA A 82 5.955 14.779 1.306 1.00 0.00 C ATOM 0 H ALA A 82 7.645 12.646 2.612 1.00 0.00 H new ATOM 0 HA ALA A 82 7.915 15.440 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.466 15.733 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.246 14.732 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.265 13.965 1.528 1.00 0.00 H new ATOM 1290 N THR A 83 7.393 14.010 4.582 1.00 0.00 N ATOM 1291 CA THR A 83 6.984 13.989 5.988 1.00 0.00 C ATOM 1292 C THR A 83 5.456 13.836 6.110 1.00 0.00 C ATOM 1293 O THR A 83 4.772 14.660 6.722 1.00 0.00 O ATOM 1294 CB THR A 83 7.648 15.150 6.776 1.00 0.00 C ATOM 1295 OG1 THR A 83 7.629 16.389 6.083 1.00 0.00 O ATOM 1296 CG2 THR A 83 9.121 14.829 7.046 1.00 0.00 C ATOM 0 H THR A 83 8.139 13.350 4.362 1.00 0.00 H new ATOM 0 HA THR A 83 7.366 13.100 6.489 1.00 0.00 H new ATOM 0 HB THR A 83 7.066 15.245 7.693 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.060 17.077 6.632 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.577 15.650 7.599 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.192 13.913 7.632 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.644 14.695 6.099 1.00 0.00 H new ATOM 1304 N LEU A 84 4.918 12.795 5.459 1.00 0.00 N ATOM 1305 CA LEU A 84 3.575 12.260 5.657 1.00 0.00 C ATOM 1306 C LEU A 84 3.408 10.845 5.098 1.00 0.00 C ATOM 1307 O LEU A 84 2.657 10.058 5.673 1.00 0.00 O ATOM 1308 CB LEU A 84 2.573 13.169 4.946 1.00 0.00 C ATOM 1309 CG LEU A 84 1.273 13.398 5.746 1.00 0.00 C ATOM 1310 CD1 LEU A 84 1.462 14.091 7.104 1.00 0.00 C ATOM 1311 CD2 LEU A 84 0.301 14.260 4.936 1.00 0.00 C ATOM 0 H LEU A 84 5.438 12.282 4.747 1.00 0.00 H new ATOM 0 HA LEU A 84 3.402 12.219 6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.044 14.132 4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.323 12.734 3.978 1.00 0.00 H new ATOM 0 HG LEU A 84 0.890 12.395 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.494 14.208 7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.114 13.486 7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.913 15.072 6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.613 14.415 5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.762 15.224 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.060 13.756 4.000 1.00 0.00 H new ATOM 1323 N GLN A 85 4.052 10.549 3.957 1.00 0.00 N ATOM 1324 CA GLN A 85 3.950 9.261 3.286 1.00 0.00 C ATOM 1325 C GLN A 85 4.412 8.125 4.195 1.00 0.00 C ATOM 1326 O GLN A 85 5.171 8.342 5.167 1.00 0.00 O ATOM 1327 CB GLN A 85 4.731 9.258 1.955 1.00 0.00 C ATOM 1328 CG GLN A 85 3.997 9.796 0.719 1.00 0.00 C ATOM 1329 CD GLN A 85 3.993 11.322 0.586 1.00 0.00 C ATOM 1330 OE1 GLN A 85 4.994 11.945 0.257 1.00 0.00 O ATOM 1331 NE2 GLN A 85 2.870 11.987 0.724 1.00 0.00 N ATOM 0 H GLN A 85 4.662 11.210 3.477 1.00 0.00 H new ATOM 0 HA GLN A 85 2.898 9.095 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.639 9.845 2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.042 8.234 1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.456 9.369 -0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.965 9.445 0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.018 11.498 0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.849 12.993 0.558 1.00 0.00 H new