USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 704 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 70 MET CE :methyl -143:sc= -22.2! (180deg=-24.8!) USER MOD Set 1.2: A 87 GLN : amide:sc= -24.1! C(o=-46!,f=-49!) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -24.4! C(o=-27!,f=-32!) USER MOD Set 2.2: A 51 TYR OH : rot 94:sc= 0.721 USER MOD Set 2.3: A 82 SER OG : rot -134:sc= -3.48! USER MOD Set 3.1: A 24 MET CE :methyl 146:sc= -5.02! (180deg=-0.847) USER MOD Set 3.2: A 39 CYS SG : rot -27:sc= -3.35 USER MOD Set 3.3: A 42 SER OG : rot 180:sc= 0 USER MOD Set 3.4: A 44 SER OG : rot 180:sc= 0 USER MOD Set 3.5: A 45 CYS SG : rot 150:sc= -3.94! USER MOD Set 3.6: A 48 CYS SG : rot 114:sc= -3.52! USER MOD Set 3.7: A 85 SER OG : rot 175:sc= -11.9! USER MOD Set 3.8: A 86 CYS SG : rot -137:sc= -14.9! USER MOD Set 4.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 25 GLN :FLIP amide:sc= -0.802 F(o=-2.6,f=-0.8) USER MOD Single : A 1 SER N :NH3+ 132:sc= 0.323! (180deg=-0.34!) USER MOD Single : A 1 SER OG : rot -110:sc= -0.44! USER MOD Single : A 2 LYS NZ :NH3+ -160:sc=-4.2e-05 (180deg=-0.29) USER MOD Single : A 5 TYR OH : rot 152:sc= -4.58! USER MOD Single : A 7 SER OG : rot -13:sc= -4.26! USER MOD Single : A 8 HIS : no HD1:sc= -5.26! C(o=-5.3!,f=-5.9!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 84:sc= 0.686 USER MOD Single : A 30 ASN :FLIP amide:sc= -4.97! C(o=-6.7!,f=-5!) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0694 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -14.2! C(o=-14!,f=-24!) USER MOD Single : A 57 THR OG1 : rot -61:sc= -2! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.671! C(o=-0.67!,f=-13!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -111:sc= -0.77! (180deg=-5.77!) USER MOD Single : A 81 ASN : amide:sc= -2.03! C(o=-2!,f=-14!) USER MOD Single : A 90 MET CE :methyl 171:sc= -3.48! (180deg=-3.72!) USER MOD Single : A 91 THR OG1 : rot -179:sc= -0.906! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.972 -10.588 -9.684 1.00 0.00 N ATOM 2 CA SER A 1 3.142 -9.182 -10.150 1.00 0.00 C ATOM 3 C SER A 1 4.381 -8.555 -9.509 1.00 0.00 C ATOM 4 O SER A 1 4.701 -8.812 -8.366 1.00 0.00 O ATOM 5 CB SER A 1 1.882 -8.445 -9.691 1.00 0.00 C ATOM 6 OG SER A 1 1.077 -9.318 -8.908 1.00 0.00 O ATOM 0 H1 SER A 1 1.987 -10.739 -9.388 1.00 0.00 H new ATOM 0 H2 SER A 1 3.204 -11.241 -10.459 1.00 0.00 H new ATOM 0 H3 SER A 1 3.607 -10.766 -8.880 1.00 0.00 H new ATOM 0 HA SER A 1 3.275 -9.128 -11.230 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.155 -7.565 -9.108 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.319 -8.093 -10.555 1.00 0.00 H new ATOM 0 HG SER A 1 0.268 -9.554 -9.409 1.00 0.00 H new ATOM 14 N LYS A 2 5.072 -7.724 -10.238 1.00 0.00 N ATOM 15 CA LYS A 2 6.281 -7.063 -9.678 1.00 0.00 C ATOM 16 C LYS A 2 5.854 -5.885 -8.807 1.00 0.00 C ATOM 17 O LYS A 2 5.379 -4.881 -9.301 1.00 0.00 O ATOM 18 CB LYS A 2 7.057 -6.566 -10.896 1.00 0.00 C ATOM 19 CG LYS A 2 8.542 -6.457 -10.547 1.00 0.00 C ATOM 20 CD LYS A 2 8.737 -5.400 -9.459 1.00 0.00 C ATOM 21 CE LYS A 2 10.229 -5.098 -9.299 1.00 0.00 C ATOM 22 NZ LYS A 2 10.795 -6.303 -8.631 1.00 0.00 N ATOM 0 H LYS A 2 4.850 -7.474 -11.202 1.00 0.00 H new ATOM 0 HA LYS A 2 6.880 -7.732 -9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.919 -7.251 -11.733 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.675 -5.595 -11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.917 -7.421 -10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.116 -6.190 -11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.197 -4.490 -9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.324 -5.755 -8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.702 -4.923 -10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.389 -4.202 -8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.703 -6.059 -8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.132 -6.640 -7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.945 -7.052 -9.336 1.00 0.00 H new ATOM 36 N VAL A 3 6.005 -5.991 -7.520 1.00 0.00 N ATOM 37 CA VAL A 3 5.586 -4.866 -6.645 1.00 0.00 C ATOM 38 C VAL A 3 6.800 -4.196 -6.007 1.00 0.00 C ATOM 39 O VAL A 3 7.760 -4.841 -5.634 1.00 0.00 O ATOM 40 CB VAL A 3 4.689 -5.505 -5.588 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.626 -4.613 -4.350 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.285 -5.662 -6.162 1.00 0.00 C ATOM 0 H VAL A 3 6.397 -6.800 -7.039 1.00 0.00 H new ATOM 0 HA VAL A 3 5.066 -4.084 -7.198 1.00 0.00 H new ATOM 0 HB VAL A 3 5.094 -6.478 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.984 -5.076 -3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.628 -4.487 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.220 -3.639 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.635 -6.118 -5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.892 -4.683 -6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.323 -6.298 -7.047 1.00 0.00 H new ATOM 52 N VAL A 4 6.748 -2.904 -5.867 1.00 0.00 N ATOM 53 CA VAL A 4 7.885 -2.177 -5.235 1.00 0.00 C ATOM 54 C VAL A 4 7.356 -1.243 -4.162 1.00 0.00 C ATOM 55 O VAL A 4 6.476 -0.437 -4.382 1.00 0.00 O ATOM 56 CB VAL A 4 8.579 -1.423 -6.365 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.336 -0.214 -5.809 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.566 -2.359 -7.066 1.00 0.00 C ATOM 0 H VAL A 4 5.968 -2.317 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 4 8.591 -2.846 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 4 7.827 -1.076 -7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.827 0.315 -6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.635 0.456 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.086 -0.552 -5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.064 -1.823 -7.874 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.310 -2.707 -6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.028 -3.215 -7.475 1.00 0.00 H new ATOM 68 N TYR A 5 7.877 -1.403 -2.995 1.00 0.00 N ATOM 69 CA TYR A 5 7.425 -0.609 -1.829 1.00 0.00 C ATOM 70 C TYR A 5 8.365 0.535 -1.504 1.00 0.00 C ATOM 71 O TYR A 5 9.562 0.374 -1.507 1.00 0.00 O ATOM 72 CB TYR A 5 7.496 -1.635 -0.726 1.00 0.00 C ATOM 73 CG TYR A 5 6.511 -2.713 -1.020 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.174 -2.386 -1.243 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.929 -4.044 -1.076 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.248 -3.392 -1.521 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.010 -5.038 -1.348 1.00 0.00 C ATOM 78 CZ TYR A 5 4.666 -4.725 -1.572 1.00 0.00 C ATOM 79 OH TYR A 5 3.760 -5.728 -1.845 1.00 0.00 O ATOM 0 H TYR A 5 8.620 -2.070 -2.789 1.00 0.00 H new ATOM 0 HA TYR A 5 6.451 -0.146 -1.988 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.502 -2.049 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.276 -1.173 0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.855 -1.355 -1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.966 -4.295 -0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.212 -3.142 -1.696 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.333 -6.068 -1.388 1.00 0.00 H new ATOM 0 HH TYR A 5 4.222 -6.478 -2.275 1.00 0.00 H new ATOM 89 N VAL A 6 7.832 1.678 -1.185 1.00 0.00 N ATOM 90 CA VAL A 6 8.729 2.813 -0.803 1.00 0.00 C ATOM 91 C VAL A 6 8.394 3.308 0.599 1.00 0.00 C ATOM 92 O VAL A 6 7.298 3.125 1.092 1.00 0.00 O ATOM 93 CB VAL A 6 8.507 3.919 -1.827 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.664 4.923 -1.754 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.458 3.300 -3.213 1.00 0.00 C ATOM 0 H VAL A 6 6.832 1.880 -1.170 1.00 0.00 H new ATOM 0 HA VAL A 6 9.772 2.497 -0.795 1.00 0.00 H new ATOM 0 HB VAL A 6 7.570 4.436 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.506 5.715 -2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.707 5.357 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.603 4.413 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.299 4.082 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.400 2.791 -3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.639 2.582 -3.262 1.00 0.00 H new ATOM 105 N SER A 7 9.323 3.957 1.232 1.00 0.00 N ATOM 106 CA SER A 7 9.071 4.496 2.586 1.00 0.00 C ATOM 107 C SER A 7 9.257 6.009 2.539 1.00 0.00 C ATOM 108 O SER A 7 10.166 6.506 1.912 1.00 0.00 O ATOM 109 CB SER A 7 10.123 3.844 3.482 1.00 0.00 C ATOM 110 OG SER A 7 11.394 4.412 3.202 1.00 0.00 O ATOM 0 H SER A 7 10.257 4.138 0.863 1.00 0.00 H new ATOM 0 HA SER A 7 8.066 4.290 2.955 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.868 3.994 4.531 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.147 2.768 3.311 1.00 0.00 H new ATOM 0 HG SER A 7 11.345 4.929 2.371 1.00 0.00 H new ATOM 116 N HIS A 8 8.402 6.747 3.174 1.00 0.00 N ATOM 117 CA HIS A 8 8.544 8.232 3.139 1.00 0.00 C ATOM 118 C HIS A 8 10.010 8.634 3.342 1.00 0.00 C ATOM 119 O HIS A 8 10.428 9.700 2.936 1.00 0.00 O ATOM 120 CB HIS A 8 7.665 8.777 4.269 1.00 0.00 C ATOM 121 CG HIS A 8 7.650 7.833 5.431 1.00 0.00 C ATOM 122 ND1 HIS A 8 6.467 7.355 5.939 1.00 0.00 N ATOM 123 CD2 HIS A 8 8.647 7.277 6.193 1.00 0.00 C ATOM 124 CE1 HIS A 8 6.764 6.542 6.970 1.00 0.00 C ATOM 125 NE2 HIS A 8 8.084 6.459 7.168 1.00 0.00 N ATOM 0 H HIS A 8 7.612 6.395 3.715 1.00 0.00 H new ATOM 0 HA HIS A 8 8.235 8.639 2.176 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.038 9.750 4.589 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.649 8.929 3.905 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.705 7.448 6.057 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.027 6.021 7.564 1.00 0.00 H new ATOM 0 HE2 HIS A 8 8.572 5.914 7.879 1.00 0.00 H new ATOM 133 N ASP A 9 10.796 7.792 3.960 1.00 0.00 N ATOM 134 CA ASP A 9 12.234 8.138 4.178 1.00 0.00 C ATOM 135 C ASP A 9 13.075 7.745 2.955 1.00 0.00 C ATOM 136 O ASP A 9 14.259 8.011 2.896 1.00 0.00 O ATOM 137 CB ASP A 9 12.661 7.339 5.410 1.00 0.00 C ATOM 138 CG ASP A 9 12.287 5.868 5.228 1.00 0.00 C ATOM 139 OD1 ASP A 9 11.102 5.578 5.203 1.00 0.00 O ATOM 140 OD2 ASP A 9 13.190 5.056 5.118 1.00 0.00 O ATOM 0 H ASP A 9 10.507 6.883 4.322 1.00 0.00 H new ATOM 0 HA ASP A 9 12.377 9.209 4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.736 7.434 5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.176 7.739 6.300 1.00 0.00 H new ATOM 145 N GLY A 10 12.471 7.130 1.975 1.00 0.00 N ATOM 146 CA GLY A 10 13.235 6.740 0.753 1.00 0.00 C ATOM 147 C GLY A 10 13.397 5.217 0.674 1.00 0.00 C ATOM 148 O GLY A 10 13.270 4.634 -0.382 1.00 0.00 O ATOM 0 H GLY A 10 11.482 6.880 1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.717 7.102 -0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.216 7.214 0.766 1.00 0.00 H new ATOM 152 N THR A 11 13.687 4.568 1.769 1.00 0.00 N ATOM 153 CA THR A 11 13.865 3.094 1.732 1.00 0.00 C ATOM 154 C THR A 11 12.687 2.447 1.007 1.00 0.00 C ATOM 155 O THR A 11 11.537 2.770 1.230 1.00 0.00 O ATOM 156 CB THR A 11 13.954 2.664 3.207 1.00 0.00 C ATOM 157 OG1 THR A 11 15.236 2.100 3.449 1.00 0.00 O ATOM 158 CG2 THR A 11 12.876 1.631 3.561 1.00 0.00 C ATOM 0 H THR A 11 13.808 4.998 2.686 1.00 0.00 H new ATOM 0 HA THR A 11 14.757 2.784 1.188 1.00 0.00 H new ATOM 0 HB THR A 11 13.796 3.545 3.828 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.301 1.825 4.387 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.971 1.351 4.610 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.889 2.061 3.387 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.001 0.746 2.937 1.00 0.00 H new ATOM 166 N ARG A 12 12.987 1.540 0.137 1.00 0.00 N ATOM 167 CA ARG A 12 11.913 0.848 -0.637 1.00 0.00 C ATOM 168 C ARG A 12 12.090 -0.679 -0.583 1.00 0.00 C ATOM 169 O ARG A 12 13.164 -1.179 -0.312 1.00 0.00 O ATOM 170 CB ARG A 12 12.074 1.337 -2.077 1.00 0.00 C ATOM 171 CG ARG A 12 12.358 2.838 -2.085 1.00 0.00 C ATOM 172 CD ARG A 12 12.311 3.363 -3.521 1.00 0.00 C ATOM 173 NE ARG A 12 13.728 3.662 -3.867 1.00 0.00 N ATOM 174 CZ ARG A 12 14.013 4.272 -4.984 1.00 0.00 C ATOM 175 NH1 ARG A 12 13.066 4.854 -5.668 1.00 0.00 N ATOM 176 NH2 ARG A 12 15.244 4.303 -5.417 1.00 0.00 N ATOM 0 H ARG A 12 13.937 1.238 -0.080 1.00 0.00 H new ATOM 0 HA ARG A 12 10.926 1.068 -0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.889 0.801 -2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.169 1.126 -2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.623 3.360 -1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.336 3.035 -1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.887 2.622 -4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.690 4.255 -3.595 1.00 0.00 H new ATOM 0 HE ARG A 12 14.476 3.390 -3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.104 4.831 -5.329 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.288 5.331 -6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.985 3.850 -4.882 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.465 4.780 -6.291 1.00 0.00 H new ATOM 190 N ARG A 13 11.049 -1.424 -0.869 1.00 0.00 N ATOM 191 CA ARG A 13 11.162 -2.916 -0.866 1.00 0.00 C ATOM 192 C ARG A 13 10.403 -3.505 -2.067 1.00 0.00 C ATOM 193 O ARG A 13 9.225 -3.275 -2.243 1.00 0.00 O ATOM 194 CB ARG A 13 10.557 -3.440 0.458 1.00 0.00 C ATOM 195 CG ARG A 13 9.598 -2.437 1.118 1.00 0.00 C ATOM 196 CD ARG A 13 9.920 -2.330 2.610 1.00 0.00 C ATOM 197 NE ARG A 13 11.016 -1.327 2.696 1.00 0.00 N ATOM 198 CZ ARG A 13 11.248 -0.707 3.820 1.00 0.00 C ATOM 199 NH1 ARG A 13 10.384 0.155 4.281 1.00 0.00 N ATOM 200 NH2 ARG A 13 12.344 -0.950 4.486 1.00 0.00 N ATOM 0 H ARG A 13 10.125 -1.062 -1.105 1.00 0.00 H new ATOM 0 HA ARG A 13 12.207 -3.216 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.024 -4.371 0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.364 -3.674 1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.693 -1.460 0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.566 -2.759 0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.048 -2.011 3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.232 -3.292 3.016 1.00 0.00 H new ATOM 0 HE ARG A 13 11.586 -1.124 1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.526 0.345 3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.566 0.639 5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.020 -1.625 4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.525 -0.465 5.365 1.00 0.00 H new ATOM 214 N GLU A 14 11.077 -4.261 -2.898 1.00 0.00 N ATOM 215 CA GLU A 14 10.402 -4.863 -4.091 1.00 0.00 C ATOM 216 C GLU A 14 9.936 -6.292 -3.779 1.00 0.00 C ATOM 217 O GLU A 14 10.702 -7.111 -3.310 1.00 0.00 O ATOM 218 CB GLU A 14 11.477 -4.883 -5.178 1.00 0.00 C ATOM 219 CG GLU A 14 12.156 -3.514 -5.250 1.00 0.00 C ATOM 220 CD GLU A 14 13.540 -3.594 -4.602 1.00 0.00 C ATOM 221 OE1 GLU A 14 14.077 -4.687 -4.534 1.00 0.00 O ATOM 222 OE2 GLU A 14 14.038 -2.561 -4.185 1.00 0.00 O ATOM 0 H GLU A 14 12.067 -4.488 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 14 9.518 -4.300 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.215 -5.656 -4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.031 -5.130 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.247 -3.196 -6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.547 -2.767 -4.740 1.00 0.00 H new ATOM 229 N LEU A 15 8.688 -6.600 -4.029 1.00 0.00 N ATOM 230 CA LEU A 15 8.195 -7.979 -3.735 1.00 0.00 C ATOM 231 C LEU A 15 7.654 -8.663 -4.985 1.00 0.00 C ATOM 232 O LEU A 15 7.040 -8.049 -5.835 1.00 0.00 O ATOM 233 CB LEU A 15 7.044 -7.803 -2.743 1.00 0.00 C ATOM 234 CG LEU A 15 7.566 -7.759 -1.306 1.00 0.00 C ATOM 235 CD1 LEU A 15 6.404 -7.902 -0.335 1.00 0.00 C ATOM 236 CD2 LEU A 15 8.474 -8.919 -1.034 1.00 0.00 C ATOM 0 H LEU A 15 7.995 -5.962 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 15 9.008 -8.595 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.503 -6.883 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.335 -8.624 -2.852 1.00 0.00 H new ATOM 0 HG LEU A 15 8.092 -6.813 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.779 -7.870 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.699 -7.085 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.901 -8.853 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.833 -8.867 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.928 -9.851 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.323 -8.885 -1.717 1.00 0.00 H new ATOM 248 N ASP A 16 7.832 -9.949 -5.062 1.00 0.00 N ATOM 249 CA ASP A 16 7.290 -10.715 -6.201 1.00 0.00 C ATOM 250 C ASP A 16 6.009 -11.391 -5.716 1.00 0.00 C ATOM 251 O ASP A 16 6.034 -12.481 -5.179 1.00 0.00 O ATOM 252 CB ASP A 16 8.366 -11.746 -6.535 1.00 0.00 C ATOM 253 CG ASP A 16 8.838 -12.446 -5.259 1.00 0.00 C ATOM 254 OD1 ASP A 16 8.249 -12.199 -4.218 1.00 0.00 O ATOM 255 OD2 ASP A 16 9.781 -13.216 -5.343 1.00 0.00 O ATOM 0 H ASP A 16 8.338 -10.505 -4.372 1.00 0.00 H new ATOM 0 HA ASP A 16 7.055 -10.112 -7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.971 -12.480 -7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.209 -11.258 -7.024 1.00 0.00 H new ATOM 260 N VAL A 17 4.895 -10.732 -5.857 1.00 0.00 N ATOM 261 CA VAL A 17 3.620 -11.313 -5.356 1.00 0.00 C ATOM 262 C VAL A 17 2.833 -11.969 -6.489 1.00 0.00 C ATOM 263 O VAL A 17 3.179 -11.856 -7.646 1.00 0.00 O ATOM 264 CB VAL A 17 2.858 -10.113 -4.790 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.407 -10.501 -4.526 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.512 -9.669 -3.480 1.00 0.00 C ATOM 0 H VAL A 17 4.812 -9.816 -6.298 1.00 0.00 H new ATOM 0 HA VAL A 17 3.784 -12.094 -4.614 1.00 0.00 H new ATOM 0 HB VAL A 17 2.886 -9.295 -5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.869 -9.643 -4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.940 -10.817 -5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.374 -11.320 -3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.971 -8.814 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.484 -10.489 -2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.548 -9.387 -3.668 1.00 0.00 H new ATOM 276 N ALA A 18 1.780 -12.664 -6.158 1.00 0.00 N ATOM 277 CA ALA A 18 0.972 -13.339 -7.215 1.00 0.00 C ATOM 278 C ALA A 18 -0.461 -12.799 -7.223 1.00 0.00 C ATOM 279 O ALA A 18 -0.681 -11.607 -7.181 1.00 0.00 O ATOM 280 CB ALA A 18 0.987 -14.820 -6.841 1.00 0.00 C ATOM 0 H ALA A 18 1.444 -12.794 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 18 1.376 -13.166 -8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.412 -15.386 -7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.015 -15.182 -6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.545 -14.950 -5.853 1.00 0.00 H new ATOM 286 N ASP A 19 -1.437 -13.668 -7.290 1.00 0.00 N ATOM 287 CA ASP A 19 -2.849 -13.211 -7.316 1.00 0.00 C ATOM 288 C ASP A 19 -3.555 -13.571 -6.003 1.00 0.00 C ATOM 289 O ASP A 19 -3.599 -14.717 -5.603 1.00 0.00 O ATOM 290 CB ASP A 19 -3.463 -13.965 -8.499 1.00 0.00 C ATOM 291 CG ASP A 19 -3.858 -15.384 -8.074 1.00 0.00 C ATOM 292 OD1 ASP A 19 -4.967 -15.550 -7.594 1.00 0.00 O ATOM 293 OD2 ASP A 19 -3.042 -16.277 -8.237 1.00 0.00 O ATOM 0 H ASP A 19 -1.310 -14.679 -7.328 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.943 -12.130 -7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.339 -13.430 -8.866 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.749 -14.009 -9.322 1.00 0.00 H new ATOM 298 N GLY A 20 -4.116 -12.600 -5.341 1.00 0.00 N ATOM 299 CA GLY A 20 -4.831 -12.884 -4.063 1.00 0.00 C ATOM 300 C GLY A 20 -4.054 -12.305 -2.877 1.00 0.00 C ATOM 301 O GLY A 20 -4.535 -12.293 -1.762 1.00 0.00 O ATOM 0 H GLY A 20 -4.112 -11.621 -5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.832 -12.454 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.951 -13.960 -3.937 1.00 0.00 H new ATOM 305 N VAL A 21 -2.862 -11.824 -3.100 1.00 0.00 N ATOM 306 CA VAL A 21 -2.076 -11.250 -1.968 1.00 0.00 C ATOM 307 C VAL A 21 -2.243 -9.732 -1.911 1.00 0.00 C ATOM 308 O VAL A 21 -2.755 -9.108 -2.818 1.00 0.00 O ATOM 309 CB VAL A 21 -0.617 -11.585 -2.269 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.288 -11.001 -1.185 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.417 -13.099 -2.318 1.00 0.00 C ATOM 0 H VAL A 21 -2.400 -11.803 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.409 -11.655 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.360 -11.154 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.327 -11.245 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.168 -9.918 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.016 -11.423 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.628 -13.321 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.689 -13.533 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.047 -13.524 -3.099 1.00 0.00 H new ATOM 321 N SER A 22 -1.770 -9.144 -0.855 1.00 0.00 N ATOM 322 CA SER A 22 -1.834 -7.662 -0.699 1.00 0.00 C ATOM 323 C SER A 22 -0.414 -7.135 -0.541 1.00 0.00 C ATOM 324 O SER A 22 0.520 -7.899 -0.394 1.00 0.00 O ATOM 325 CB SER A 22 -2.643 -7.402 0.579 1.00 0.00 C ATOM 326 OG SER A 22 -3.046 -8.644 1.143 1.00 0.00 O ATOM 0 H SER A 22 -1.332 -9.634 -0.075 1.00 0.00 H new ATOM 0 HA SER A 22 -2.295 -7.170 -1.555 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.042 -6.842 1.296 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.517 -6.792 0.352 1.00 0.00 H new ATOM 0 HG SER A 22 -3.561 -8.480 1.960 1.00 0.00 H new ATOM 332 N LEU A 23 -0.224 -5.849 -0.554 1.00 0.00 N ATOM 333 CA LEU A 23 1.160 -5.339 -0.385 1.00 0.00 C ATOM 334 C LEU A 23 1.610 -5.647 1.035 1.00 0.00 C ATOM 335 O LEU A 23 2.779 -5.817 1.298 1.00 0.00 O ATOM 336 CB LEU A 23 1.111 -3.811 -0.611 1.00 0.00 C ATOM 337 CG LEU A 23 0.763 -3.451 -2.077 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.179 -4.648 -2.839 1.00 0.00 C ATOM 339 CD2 LEU A 23 -0.259 -2.314 -2.077 1.00 0.00 C ATOM 0 H LEU A 23 -0.950 -5.142 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 23 1.856 -5.800 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.370 -3.370 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.075 -3.375 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 23 1.683 -3.151 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.051 -4.351 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.905 -5.461 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.733 -4.984 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.512 -2.052 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.159 -2.634 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.164 -1.444 -1.574 1.00 0.00 H new ATOM 351 N MET A 24 0.682 -5.723 1.952 1.00 0.00 N ATOM 352 CA MET A 24 1.058 -6.015 3.362 1.00 0.00 C ATOM 353 C MET A 24 1.139 -7.501 3.619 1.00 0.00 C ATOM 354 O MET A 24 1.338 -7.926 4.730 1.00 0.00 O ATOM 355 CB MET A 24 -0.040 -5.413 4.221 1.00 0.00 C ATOM 356 CG MET A 24 0.605 -4.639 5.358 1.00 0.00 C ATOM 357 SD MET A 24 1.642 -5.741 6.339 1.00 0.00 S ATOM 358 CE MET A 24 0.336 -6.368 7.417 1.00 0.00 C ATOM 0 H MET A 24 -0.316 -5.596 1.784 1.00 0.00 H new ATOM 0 HA MET A 24 2.040 -5.598 3.587 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.669 -4.754 3.623 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.685 -6.198 4.616 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.204 -3.821 4.959 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.164 -4.192 5.988 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.540 -7.409 7.668 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.302 -5.775 8.331 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.623 -6.299 6.904 1.00 0.00 H new ATOM 368 N GLN A 25 0.978 -8.296 2.622 1.00 0.00 N ATOM 369 CA GLN A 25 1.053 -9.756 2.842 1.00 0.00 C ATOM 370 C GLN A 25 2.428 -10.269 2.391 1.00 0.00 C ATOM 371 O GLN A 25 3.220 -10.718 3.194 1.00 0.00 O ATOM 372 CB GLN A 25 -0.075 -10.301 1.987 1.00 0.00 C ATOM 373 CG GLN A 25 -0.093 -11.828 2.043 1.00 0.00 C ATOM 374 CD GLN A 25 -1.512 -12.340 1.758 1.00 0.00 C ATOM 375 OE1 GLN A 25 -2.435 -11.516 1.320 1.00 0.00 O flip ATOM 376 NE2 GLN A 25 -1.788 -13.510 1.936 1.00 0.00 N flip ATOM 0 H GLN A 25 0.797 -8.005 1.661 1.00 0.00 H new ATOM 0 HA GLN A 25 0.948 -10.060 3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.029 -9.906 2.337 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.048 -9.970 0.956 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.605 -12.236 1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.237 -12.169 3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.076 -14.156 2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.732 -13.846 1.745 1.00 0.00 H new ATOM 385 N ALA A 26 2.732 -10.180 1.119 1.00 0.00 N ATOM 386 CA ALA A 26 4.076 -10.640 0.654 1.00 0.00 C ATOM 387 C ALA A 26 5.134 -9.978 1.527 1.00 0.00 C ATOM 388 O ALA A 26 6.047 -10.609 2.022 1.00 0.00 O ATOM 389 CB ALA A 26 4.222 -10.142 -0.791 1.00 0.00 C ATOM 0 H ALA A 26 2.117 -9.814 0.392 1.00 0.00 H new ATOM 0 HA ALA A 26 4.187 -11.723 0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.190 -10.450 -1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.428 -10.568 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.152 -9.054 -0.810 1.00 0.00 H new ATOM 395 N ALA A 27 5.004 -8.693 1.709 1.00 0.00 N ATOM 396 CA ALA A 27 5.979 -7.942 2.539 1.00 0.00 C ATOM 397 C ALA A 27 5.958 -8.515 3.949 1.00 0.00 C ATOM 398 O ALA A 27 6.966 -8.917 4.493 1.00 0.00 O ATOM 399 CB ALA A 27 5.447 -6.517 2.527 1.00 0.00 C ATOM 0 H ALA A 27 4.254 -8.127 1.312 1.00 0.00 H new ATOM 0 HA ALA A 27 7.006 -7.997 2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.104 -5.878 3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.412 -6.151 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.444 -6.499 2.953 1.00 0.00 H new ATOM 405 N VAL A 28 4.785 -8.579 4.515 1.00 0.00 N ATOM 406 CA VAL A 28 4.608 -9.157 5.874 1.00 0.00 C ATOM 407 C VAL A 28 5.561 -10.345 6.039 1.00 0.00 C ATOM 408 O VAL A 28 6.416 -10.361 6.901 1.00 0.00 O ATOM 409 CB VAL A 28 3.131 -9.576 5.849 1.00 0.00 C ATOM 410 CG1 VAL A 28 2.947 -11.075 6.109 1.00 0.00 C ATOM 411 CG2 VAL A 28 2.350 -8.814 6.906 1.00 0.00 C ATOM 0 H VAL A 28 3.923 -8.247 4.082 1.00 0.00 H new ATOM 0 HA VAL A 28 4.831 -8.489 6.706 1.00 0.00 H new ATOM 0 HB VAL A 28 2.760 -9.345 4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.886 -11.322 6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.472 -11.644 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.352 -11.327 7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.304 -9.121 6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.765 -9.030 7.891 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.420 -7.744 6.709 1.00 0.00 H new ATOM 421 N SER A 29 5.435 -11.318 5.185 1.00 0.00 N ATOM 422 CA SER A 29 6.346 -12.490 5.244 1.00 0.00 C ATOM 423 C SER A 29 7.775 -11.997 5.088 1.00 0.00 C ATOM 424 O SER A 29 8.664 -12.341 5.843 1.00 0.00 O ATOM 425 CB SER A 29 5.988 -13.330 4.035 1.00 0.00 C ATOM 426 OG SER A 29 4.911 -12.723 3.329 1.00 0.00 O ATOM 0 H SER A 29 4.735 -11.352 4.444 1.00 0.00 H new ATOM 0 HA SER A 29 6.256 -13.045 6.178 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.854 -13.430 3.380 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.708 -14.336 4.349 1.00 0.00 H new ATOM 0 HG SER A 29 5.262 -12.039 2.721 1.00 0.00 H new ATOM 432 N ASN A 30 7.981 -11.165 4.109 1.00 0.00 N ATOM 433 CA ASN A 30 9.327 -10.591 3.866 1.00 0.00 C ATOM 434 C ASN A 30 9.730 -9.715 5.052 1.00 0.00 C ATOM 435 O ASN A 30 10.827 -9.197 5.112 1.00 0.00 O ATOM 436 CB ASN A 30 9.141 -9.740 2.609 1.00 0.00 C ATOM 437 CG ASN A 30 9.649 -10.510 1.391 1.00 0.00 C ATOM 438 OD1 ASN A 30 8.783 -11.024 0.560 1.00 0.00 O flip ATOM 439 ND2 ASN A 30 10.839 -10.645 1.191 1.00 0.00 N flip ATOM 0 H ASN A 30 7.260 -10.854 3.457 1.00 0.00 H new ATOM 0 HA ASN A 30 10.105 -11.345 3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.088 -9.488 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.683 -8.800 2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.514 -10.243 1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.163 -11.161 0.373 1.00 0.00 H new ATOM 446 N GLY A 31 8.838 -9.533 5.990 1.00 0.00 N ATOM 447 CA GLY A 31 9.164 -8.672 7.166 1.00 0.00 C ATOM 448 C GLY A 31 9.143 -7.206 6.736 1.00 0.00 C ATOM 449 O GLY A 31 9.403 -6.313 7.518 1.00 0.00 O ATOM 0 H GLY A 31 7.903 -9.940 5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.442 -8.839 7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.145 -8.933 7.562 1.00 0.00 H new ATOM 453 N ILE A 32 8.821 -6.951 5.498 1.00 0.00 N ATOM 454 CA ILE A 32 8.766 -5.549 5.013 1.00 0.00 C ATOM 455 C ILE A 32 7.921 -4.710 5.977 1.00 0.00 C ATOM 456 O ILE A 32 8.142 -3.526 6.139 1.00 0.00 O ATOM 457 CB ILE A 32 8.116 -5.666 3.632 1.00 0.00 C ATOM 458 CG1 ILE A 32 9.198 -5.887 2.577 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.334 -4.397 3.281 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.547 -5.898 1.195 1.00 0.00 C ATOM 0 H ILE A 32 8.593 -7.659 4.800 1.00 0.00 H new ATOM 0 HA ILE A 32 9.738 -5.059 4.957 1.00 0.00 H new ATOM 0 HB ILE A 32 7.426 -6.509 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.947 -5.097 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.714 -6.830 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.883 -4.509 2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.551 -4.236 4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.011 -3.542 3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.311 -6.055 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.814 -6.703 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.051 -4.944 1.019 1.00 0.00 H new ATOM 472 N TYR A 33 6.955 -5.312 6.620 1.00 0.00 N ATOM 473 CA TYR A 33 6.109 -4.530 7.572 1.00 0.00 C ATOM 474 C TYR A 33 6.436 -4.849 9.020 1.00 0.00 C ATOM 475 O TYR A 33 5.561 -5.142 9.811 1.00 0.00 O ATOM 476 CB TYR A 33 4.671 -4.907 7.265 1.00 0.00 C ATOM 477 CG TYR A 33 4.287 -4.207 6.007 1.00 0.00 C ATOM 478 CD1 TYR A 33 4.016 -2.831 6.013 1.00 0.00 C ATOM 479 CD2 TYR A 33 4.224 -4.931 4.829 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.677 -2.183 4.817 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.887 -4.300 3.640 1.00 0.00 C ATOM 482 CZ TYR A 33 3.611 -2.922 3.624 1.00 0.00 C ATOM 483 OH TYR A 33 3.278 -2.296 2.440 1.00 0.00 O ATOM 0 H TYR A 33 6.716 -6.300 6.530 1.00 0.00 H new ATOM 0 HA TYR A 33 6.289 -3.462 7.448 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.573 -5.986 7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.014 -4.614 8.084 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.068 -2.272 6.936 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.438 -5.990 4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.468 -1.123 4.813 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.837 -4.870 2.724 1.00 0.00 H new ATOM 0 HH TYR A 33 3.279 -2.952 1.712 1.00 0.00 H new ATOM 559 N CYS A 39 -3.631 -5.008 10.796 1.00 0.00 N ATOM 560 CA CYS A 39 -4.540 -5.263 9.633 1.00 0.00 C ATOM 561 C CYS A 39 -4.683 -6.761 9.375 1.00 0.00 C ATOM 562 O CYS A 39 -5.777 -7.290 9.365 1.00 0.00 O ATOM 563 CB CYS A 39 -3.916 -4.573 8.406 1.00 0.00 C ATOM 564 SG CYS A 39 -2.099 -4.691 8.440 1.00 0.00 S ATOM 0 HA CYS A 39 -5.536 -4.870 9.838 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.296 -5.033 7.494 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.215 -3.525 8.383 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.694 -4.800 9.671 1.00 0.00 H new ATOM 569 N GLY A 40 -3.596 -7.451 9.146 1.00 0.00 N ATOM 570 CA GLY A 40 -3.701 -8.910 8.864 1.00 0.00 C ATOM 571 C GLY A 40 -4.821 -9.108 7.847 1.00 0.00 C ATOM 572 O GLY A 40 -5.639 -9.998 7.965 1.00 0.00 O ATOM 0 H GLY A 40 -2.650 -7.070 9.142 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.758 -9.293 8.473 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.914 -9.462 9.780 1.00 0.00 H new ATOM 576 N GLY A 41 -4.877 -8.253 6.862 1.00 0.00 N ATOM 577 CA GLY A 41 -5.957 -8.349 5.845 1.00 0.00 C ATOM 578 C GLY A 41 -7.222 -7.715 6.423 1.00 0.00 C ATOM 579 O GLY A 41 -8.322 -8.183 6.203 1.00 0.00 O ATOM 0 H GLY A 41 -4.216 -7.489 6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.661 -7.838 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.140 -9.391 5.584 1.00 0.00 H new ATOM 583 N SER A 42 -7.072 -6.653 7.175 1.00 0.00 N ATOM 584 CA SER A 42 -8.265 -5.994 7.779 1.00 0.00 C ATOM 585 C SER A 42 -8.296 -4.498 7.450 1.00 0.00 C ATOM 586 O SER A 42 -9.337 -3.875 7.482 1.00 0.00 O ATOM 587 CB SER A 42 -8.118 -6.209 9.284 1.00 0.00 C ATOM 588 OG SER A 42 -9.338 -5.867 9.929 1.00 0.00 O ATOM 0 H SER A 42 -6.177 -6.217 7.395 1.00 0.00 H new ATOM 0 HA SER A 42 -9.194 -6.411 7.391 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.863 -7.248 9.491 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.304 -5.597 9.673 1.00 0.00 H new ATOM 0 HG SER A 42 -9.247 -6.005 10.895 1.00 0.00 H new ATOM 594 N ALA A 43 -7.172 -3.920 7.128 1.00 0.00 N ATOM 595 CA ALA A 43 -7.150 -2.466 6.787 1.00 0.00 C ATOM 596 C ALA A 43 -7.688 -1.614 7.940 1.00 0.00 C ATOM 597 O ALA A 43 -8.671 -0.912 7.801 1.00 0.00 O ATOM 598 CB ALA A 43 -8.051 -2.332 5.567 1.00 0.00 C ATOM 0 H ALA A 43 -6.267 -4.389 7.086 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.135 -2.117 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.087 -1.288 5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.656 -2.941 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.056 -2.670 5.818 1.00 0.00 H new ATOM 604 N SER A 44 -7.055 -1.674 9.073 1.00 0.00 N ATOM 605 CA SER A 44 -7.518 -0.858 10.238 1.00 0.00 C ATOM 606 C SER A 44 -6.334 -0.110 10.875 1.00 0.00 C ATOM 607 O SER A 44 -6.461 0.485 11.927 1.00 0.00 O ATOM 608 CB SER A 44 -8.102 -1.871 11.222 1.00 0.00 C ATOM 609 OG SER A 44 -7.423 -3.112 11.077 1.00 0.00 O ATOM 0 H SER A 44 -6.234 -2.253 9.249 1.00 0.00 H new ATOM 0 HA SER A 44 -8.247 -0.102 9.946 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.999 -1.504 12.243 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.168 -2.003 11.036 1.00 0.00 H new ATOM 0 HG SER A 44 -7.794 -3.764 11.708 1.00 0.00 H new ATOM 615 N CYS A 45 -5.182 -0.163 10.261 1.00 0.00 N ATOM 616 CA CYS A 45 -3.976 0.520 10.852 1.00 0.00 C ATOM 617 C CYS A 45 -3.527 1.716 10.016 1.00 0.00 C ATOM 618 O CYS A 45 -3.089 1.574 8.895 1.00 0.00 O ATOM 619 CB CYS A 45 -2.834 -0.516 10.913 1.00 0.00 C ATOM 620 SG CYS A 45 -3.374 -2.130 10.300 1.00 0.00 S ATOM 0 H CYS A 45 -5.016 -0.646 9.378 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.233 0.895 11.842 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.989 -0.164 10.321 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.484 -0.614 11.941 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.366 -2.749 9.762 1.00 0.00 H new ATOM 625 N ALA A 46 -3.590 2.891 10.572 1.00 0.00 N ATOM 626 CA ALA A 46 -3.130 4.091 9.824 1.00 0.00 C ATOM 627 C ALA A 46 -1.597 4.121 9.782 1.00 0.00 C ATOM 628 O ALA A 46 -0.998 5.023 9.231 1.00 0.00 O ATOM 629 CB ALA A 46 -3.668 5.279 10.623 1.00 0.00 C ATOM 0 H ALA A 46 -3.940 3.073 11.513 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.480 4.102 8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.372 6.209 10.137 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.756 5.224 10.669 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.260 5.252 11.634 1.00 0.00 H new ATOM 635 N THR A 47 -0.957 3.141 10.370 1.00 0.00 N ATOM 636 CA THR A 47 0.536 3.113 10.373 1.00 0.00 C ATOM 637 C THR A 47 1.073 2.461 9.095 1.00 0.00 C ATOM 638 O THR A 47 2.143 2.795 8.625 1.00 0.00 O ATOM 639 CB THR A 47 0.911 2.281 11.599 1.00 0.00 C ATOM 640 OG1 THR A 47 2.325 2.198 11.698 1.00 0.00 O ATOM 641 CG2 THR A 47 0.323 0.874 11.468 1.00 0.00 C ATOM 0 H THR A 47 -1.405 2.359 10.848 1.00 0.00 H new ATOM 0 HA THR A 47 0.962 4.116 10.409 1.00 0.00 H new ATOM 0 HB THR A 47 0.510 2.755 12.495 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.567 1.666 12.485 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.593 0.284 12.344 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.763 0.939 11.394 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.720 0.396 10.572 1.00 0.00 H new ATOM 649 N CYS A 48 0.340 1.550 8.517 1.00 0.00 N ATOM 650 CA CYS A 48 0.824 0.906 7.256 1.00 0.00 C ATOM 651 C CYS A 48 0.344 1.715 6.059 1.00 0.00 C ATOM 652 O CYS A 48 0.430 1.280 4.929 1.00 0.00 O ATOM 653 CB CYS A 48 0.253 -0.519 7.198 1.00 0.00 C ATOM 654 SG CYS A 48 -0.308 -1.141 8.800 1.00 0.00 S ATOM 0 H CYS A 48 -0.565 1.224 8.856 1.00 0.00 H new ATOM 0 HA CYS A 48 1.913 0.869 7.236 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.582 -0.538 6.498 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.015 -1.191 6.804 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.599 -1.293 8.779 1.00 0.00 H new ATOM 659 N HIS A 49 -0.161 2.891 6.300 1.00 0.00 N ATOM 660 CA HIS A 49 -0.648 3.736 5.177 1.00 0.00 C ATOM 661 C HIS A 49 0.343 3.670 4.006 1.00 0.00 C ATOM 662 O HIS A 49 1.542 3.672 4.196 1.00 0.00 O ATOM 663 CB HIS A 49 -0.723 5.145 5.768 1.00 0.00 C ATOM 664 CG HIS A 49 -1.572 6.023 4.887 1.00 0.00 C ATOM 665 ND1 HIS A 49 -1.887 7.333 5.222 1.00 0.00 N ATOM 666 CD2 HIS A 49 -2.161 5.803 3.667 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.631 7.838 4.220 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.818 6.947 3.250 1.00 0.00 N ATOM 0 H HIS A 49 -0.258 3.304 7.228 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.611 3.413 4.782 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.144 5.106 6.772 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.279 5.565 5.859 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.118 4.876 3.115 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.027 8.843 4.205 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.337 7.079 2.382 1.00 0.00 H new ATOM 676 N VAL A 50 -0.153 3.607 2.799 1.00 0.00 N ATOM 677 CA VAL A 50 0.738 3.544 1.610 1.00 0.00 C ATOM 678 C VAL A 50 0.099 4.268 0.449 1.00 0.00 C ATOM 679 O VAL A 50 -1.106 4.374 0.339 1.00 0.00 O ATOM 680 CB VAL A 50 0.865 2.083 1.227 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.500 1.313 2.370 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.526 1.538 0.905 1.00 0.00 C ATOM 0 H VAL A 50 -1.151 3.597 2.587 1.00 0.00 H new ATOM 0 HA VAL A 50 1.702 3.998 1.838 1.00 0.00 H new ATOM 0 HB VAL A 50 1.501 1.973 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.591 0.262 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.489 1.721 2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.876 1.402 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.450 0.487 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.167 1.636 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.955 2.102 0.076 1.00 0.00 H new ATOM 692 N TYR A 51 0.905 4.731 -0.429 1.00 0.00 N ATOM 693 CA TYR A 51 0.381 5.419 -1.625 1.00 0.00 C ATOM 694 C TYR A 51 0.871 4.697 -2.876 1.00 0.00 C ATOM 695 O TYR A 51 2.042 4.410 -3.022 1.00 0.00 O ATOM 696 CB TYR A 51 0.905 6.838 -1.512 1.00 0.00 C ATOM 697 CG TYR A 51 -0.119 7.641 -0.749 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.198 7.571 0.658 1.00 0.00 C ATOM 699 CD2 TYR A 51 -1.012 8.446 -1.453 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.185 8.314 1.335 1.00 0.00 C ATOM 701 CE2 TYR A 51 -1.978 9.178 -0.775 1.00 0.00 C ATOM 702 CZ TYR A 51 -2.071 9.113 0.616 1.00 0.00 C ATOM 703 OH TYR A 51 -3.035 9.845 1.279 1.00 0.00 O ATOM 0 H TYR A 51 1.922 4.666 -0.377 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.707 5.423 -1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.865 6.852 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.068 7.266 -2.501 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.493 6.953 1.212 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.953 8.501 -2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.255 8.264 2.412 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.663 9.803 -1.329 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.697 10.748 1.454 1.00 0.00 H new ATOM 713 N VAL A 52 -0.021 4.376 -3.766 1.00 0.00 N ATOM 714 CA VAL A 52 0.401 3.634 -5.000 1.00 0.00 C ATOM 715 C VAL A 52 0.632 4.608 -6.171 1.00 0.00 C ATOM 716 O VAL A 52 0.252 5.760 -6.105 1.00 0.00 O ATOM 717 CB VAL A 52 -0.759 2.683 -5.318 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.349 1.704 -6.435 1.00 0.00 C ATOM 719 CG2 VAL A 52 -1.123 1.892 -4.059 1.00 0.00 C ATOM 0 H VAL A 52 -1.016 4.589 -3.702 1.00 0.00 H new ATOM 0 HA VAL A 52 1.338 3.099 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.618 3.265 -5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.180 1.033 -6.654 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.090 2.265 -7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.513 1.121 -6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.948 1.214 -4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.259 1.316 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.422 2.582 -3.270 1.00 0.00 H new ATOM 729 N ASN A 53 1.234 4.159 -7.253 1.00 0.00 N ATOM 730 CA ASN A 53 1.455 5.070 -8.410 1.00 0.00 C ATOM 731 C ASN A 53 0.274 4.955 -9.379 1.00 0.00 C ATOM 732 O ASN A 53 -0.208 3.875 -9.657 1.00 0.00 O ATOM 733 CB ASN A 53 2.749 4.582 -9.065 1.00 0.00 C ATOM 734 CG ASN A 53 2.653 3.081 -9.331 1.00 0.00 C ATOM 735 OD1 ASN A 53 1.712 2.436 -8.911 1.00 0.00 O ATOM 736 ND2 ASN A 53 3.594 2.493 -10.014 1.00 0.00 N ATOM 0 H ASN A 53 1.577 3.206 -7.377 1.00 0.00 H new ATOM 0 HA ASN A 53 1.532 6.116 -8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.920 5.117 -9.999 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.599 4.793 -8.416 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.541 1.491 -10.197 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.383 3.035 -10.366 1.00 0.00 H new ATOM 743 N GLU A 54 -0.211 6.062 -9.869 1.00 0.00 N ATOM 744 CA GLU A 54 -1.383 6.038 -10.800 1.00 0.00 C ATOM 745 C GLU A 54 -1.337 4.834 -11.751 1.00 0.00 C ATOM 746 O GLU A 54 -2.356 4.383 -12.235 1.00 0.00 O ATOM 747 CB GLU A 54 -1.276 7.342 -11.592 1.00 0.00 C ATOM 748 CG GLU A 54 0.153 7.508 -12.112 1.00 0.00 C ATOM 749 CD GLU A 54 0.291 8.867 -12.801 1.00 0.00 C ATOM 750 OE1 GLU A 54 -0.458 9.117 -13.731 1.00 0.00 O ATOM 751 OE2 GLU A 54 1.143 9.635 -12.386 1.00 0.00 O ATOM 0 H GLU A 54 0.155 6.992 -9.665 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.321 5.948 -10.252 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.979 7.332 -12.425 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.544 8.188 -10.959 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.862 7.433 -11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.392 6.707 -12.812 1.00 0.00 H new ATOM 758 N ALA A 55 -0.174 4.321 -12.042 1.00 0.00 N ATOM 759 CA ALA A 55 -0.088 3.163 -12.981 1.00 0.00 C ATOM 760 C ALA A 55 -0.660 1.882 -12.356 1.00 0.00 C ATOM 761 O ALA A 55 -0.940 0.924 -13.048 1.00 0.00 O ATOM 762 CB ALA A 55 1.405 2.997 -13.261 1.00 0.00 C ATOM 0 H ALA A 55 0.718 4.650 -11.673 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.669 3.341 -13.886 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.556 2.163 -13.946 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.795 3.911 -13.710 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.931 2.799 -12.327 1.00 0.00 H new ATOM 768 N PHE A 56 -0.828 1.842 -11.061 1.00 0.00 N ATOM 769 CA PHE A 56 -1.372 0.602 -10.428 1.00 0.00 C ATOM 770 C PHE A 56 -2.516 0.934 -9.471 1.00 0.00 C ATOM 771 O PHE A 56 -3.226 0.059 -9.021 1.00 0.00 O ATOM 772 CB PHE A 56 -0.180 -0.005 -9.690 1.00 0.00 C ATOM 773 CG PHE A 56 0.862 -0.360 -10.726 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.668 0.663 -11.235 1.00 0.00 C ATOM 775 CD2 PHE A 56 1.015 -1.681 -11.213 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.615 0.387 -12.223 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.971 -1.945 -12.195 1.00 0.00 C ATOM 778 CZ PHE A 56 2.766 -0.914 -12.706 1.00 0.00 C ATOM 0 H PHE A 56 -0.615 2.605 -10.418 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.793 -0.089 -11.158 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.224 0.703 -8.967 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.484 -0.891 -9.133 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.558 1.671 -10.862 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.397 -2.478 -10.827 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.232 1.182 -12.615 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.098 -2.952 -12.563 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.496 -1.124 -13.474 1.00 0.00 H new ATOM 788 N THR A 57 -2.718 2.187 -9.166 1.00 0.00 N ATOM 789 CA THR A 57 -3.841 2.544 -8.252 1.00 0.00 C ATOM 790 C THR A 57 -5.148 2.567 -9.052 1.00 0.00 C ATOM 791 O THR A 57 -6.222 2.366 -8.523 1.00 0.00 O ATOM 792 CB THR A 57 -3.558 3.948 -7.701 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.235 4.904 -8.506 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.055 4.262 -7.699 1.00 0.00 C ATOM 0 H THR A 57 -2.161 2.971 -9.505 1.00 0.00 H new ATOM 0 HA THR A 57 -3.930 1.822 -7.440 1.00 0.00 H new ATOM 0 HB THR A 57 -3.913 3.990 -6.671 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.901 4.852 -9.426 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.893 5.264 -7.302 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.533 3.536 -7.076 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.671 4.209 -8.718 1.00 0.00 H new ATOM 802 N ASP A 58 -5.055 2.827 -10.328 1.00 0.00 N ATOM 803 CA ASP A 58 -6.279 2.877 -11.176 1.00 0.00 C ATOM 804 C ASP A 58 -6.811 1.462 -11.410 1.00 0.00 C ATOM 805 O ASP A 58 -7.999 1.246 -11.547 1.00 0.00 O ATOM 806 CB ASP A 58 -5.816 3.507 -12.494 1.00 0.00 C ATOM 807 CG ASP A 58 -5.032 2.477 -13.312 1.00 0.00 C ATOM 808 OD1 ASP A 58 -4.099 1.908 -12.772 1.00 0.00 O ATOM 809 OD2 ASP A 58 -5.380 2.276 -14.464 1.00 0.00 O ATOM 0 H ASP A 58 -4.180 3.008 -10.821 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.086 3.446 -10.714 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.677 3.858 -13.063 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.191 4.377 -12.292 1.00 0.00 H new ATOM 814 N LYS A 59 -5.934 0.499 -11.456 1.00 0.00 N ATOM 815 CA LYS A 59 -6.376 -0.906 -11.680 1.00 0.00 C ATOM 816 C LYS A 59 -6.899 -1.509 -10.374 1.00 0.00 C ATOM 817 O LYS A 59 -7.995 -2.028 -10.310 1.00 0.00 O ATOM 818 CB LYS A 59 -5.118 -1.640 -12.139 1.00 0.00 C ATOM 819 CG LYS A 59 -4.721 -1.151 -13.533 1.00 0.00 C ATOM 820 CD LYS A 59 -5.878 -1.386 -14.505 1.00 0.00 C ATOM 821 CE LYS A 59 -5.391 -2.230 -15.685 1.00 0.00 C ATOM 822 NZ LYS A 59 -5.889 -1.521 -16.896 1.00 0.00 N ATOM 0 H LYS A 59 -4.928 0.624 -11.348 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.183 -0.977 -12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.305 -1.464 -11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.298 -2.715 -12.157 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.469 -0.091 -13.500 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.831 -1.679 -13.876 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.698 -1.893 -13.996 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.266 -0.432 -14.862 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.304 -2.308 -15.692 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.783 -3.246 -15.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.595 -2.040 -17.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.927 -1.468 -16.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.494 -0.559 -16.923 1.00 0.00 H new ATOM 836 N VAL A 60 -6.116 -1.443 -9.334 1.00 0.00 N ATOM 837 CA VAL A 60 -6.544 -2.003 -8.031 1.00 0.00 C ATOM 838 C VAL A 60 -8.019 -1.703 -7.758 1.00 0.00 C ATOM 839 O VAL A 60 -8.528 -0.668 -8.140 1.00 0.00 O ATOM 840 CB VAL A 60 -5.672 -1.291 -7.005 1.00 0.00 C ATOM 841 CG1 VAL A 60 -4.252 -1.852 -7.043 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.637 0.207 -7.309 1.00 0.00 C ATOM 0 H VAL A 60 -5.188 -1.019 -9.336 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.437 -3.087 -8.002 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.093 -1.451 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.637 -1.336 -6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.275 -2.917 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.829 -1.704 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.012 0.713 -6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.225 0.366 -8.306 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.648 0.611 -7.265 1.00 0.00 H new ATOM 852 N PRO A 61 -8.644 -2.625 -7.084 1.00 0.00 N ATOM 853 CA PRO A 61 -10.075 -2.477 -6.714 1.00 0.00 C ATOM 854 C PRO A 61 -10.264 -1.375 -5.686 1.00 0.00 C ATOM 855 O PRO A 61 -9.326 -0.834 -5.136 1.00 0.00 O ATOM 856 CB PRO A 61 -10.436 -3.835 -6.125 1.00 0.00 C ATOM 857 CG PRO A 61 -9.135 -4.406 -5.659 1.00 0.00 C ATOM 858 CD PRO A 61 -8.082 -3.890 -6.604 1.00 0.00 C ATOM 0 HA PRO A 61 -10.702 -2.201 -7.562 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.142 -3.734 -5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.906 -4.477 -6.870 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.921 -4.100 -4.635 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.164 -5.496 -5.667 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.128 -3.739 -6.099 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.902 -4.586 -7.423 1.00 0.00 H new ATOM 866 N ALA A 62 -11.488 -1.046 -5.442 1.00 0.00 N ATOM 867 CA ALA A 62 -11.822 0.014 -4.475 1.00 0.00 C ATOM 868 C ALA A 62 -11.769 -0.532 -3.050 1.00 0.00 C ATOM 869 O ALA A 62 -12.252 -1.608 -2.761 1.00 0.00 O ATOM 870 CB ALA A 62 -13.237 0.405 -4.869 1.00 0.00 C ATOM 0 H ALA A 62 -12.296 -1.482 -5.887 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.133 0.858 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.593 1.196 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.242 0.762 -5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.892 -0.462 -4.782 1.00 0.00 H new ATOM 876 N ALA A 63 -11.173 0.205 -2.166 1.00 0.00 N ATOM 877 CA ALA A 63 -11.066 -0.256 -0.750 1.00 0.00 C ATOM 878 C ALA A 63 -12.440 -0.251 -0.068 1.00 0.00 C ATOM 879 O ALA A 63 -13.433 0.139 -0.651 1.00 0.00 O ATOM 880 CB ALA A 63 -10.143 0.757 -0.080 1.00 0.00 C ATOM 0 H ALA A 63 -10.751 1.113 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.687 -1.276 -0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.011 0.491 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.175 0.754 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.583 1.752 -0.149 1.00 0.00 H new ATOM 886 N ASN A 64 -12.502 -0.690 1.164 1.00 0.00 N ATOM 887 CA ASN A 64 -13.811 -0.721 1.887 1.00 0.00 C ATOM 888 C ASN A 64 -13.944 0.474 2.832 1.00 0.00 C ATOM 889 O ASN A 64 -13.320 1.501 2.656 1.00 0.00 O ATOM 890 CB ASN A 64 -13.791 -2.016 2.698 1.00 0.00 C ATOM 891 CG ASN A 64 -12.653 -1.961 3.719 1.00 0.00 C ATOM 892 OD1 ASN A 64 -11.980 -0.957 3.843 1.00 0.00 O ATOM 893 ND2 ASN A 64 -12.408 -3.007 4.461 1.00 0.00 N ATOM 0 H ASN A 64 -11.703 -1.028 1.701 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.649 -0.674 1.191 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -14.745 -2.153 3.208 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.658 -2.871 2.035 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.652 -2.981 5.145 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.973 -3.850 4.357 1.00 0.00 H new ATOM 900 N GLU A 65 -14.763 0.335 3.841 1.00 0.00 N ATOM 901 CA GLU A 65 -14.960 1.442 4.817 1.00 0.00 C ATOM 902 C GLU A 65 -13.815 1.468 5.835 1.00 0.00 C ATOM 903 O GLU A 65 -13.444 2.512 6.334 1.00 0.00 O ATOM 904 CB GLU A 65 -16.293 1.119 5.499 1.00 0.00 C ATOM 905 CG GLU A 65 -16.087 0.039 6.566 1.00 0.00 C ATOM 906 CD GLU A 65 -15.599 0.690 7.862 1.00 0.00 C ATOM 907 OE1 GLU A 65 -15.558 1.908 7.911 1.00 0.00 O ATOM 908 OE2 GLU A 65 -15.277 -0.042 8.783 1.00 0.00 O ATOM 0 H GLU A 65 -15.308 -0.506 4.031 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.970 2.423 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.705 2.019 5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.016 0.777 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -17.021 -0.495 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.360 -0.696 6.219 1.00 0.00 H new ATOM 915 N ARG A 66 -13.247 0.332 6.144 1.00 0.00 N ATOM 916 CA ARG A 66 -12.123 0.314 7.128 1.00 0.00 C ATOM 917 C ARG A 66 -10.931 1.074 6.552 1.00 0.00 C ATOM 918 O ARG A 66 -10.234 1.786 7.248 1.00 0.00 O ATOM 919 CB ARG A 66 -11.776 -1.162 7.321 1.00 0.00 C ATOM 920 CG ARG A 66 -11.957 -1.533 8.793 1.00 0.00 C ATOM 921 CD ARG A 66 -11.234 -2.849 9.082 1.00 0.00 C ATOM 922 NE ARG A 66 -11.704 -3.786 8.025 1.00 0.00 N ATOM 923 CZ ARG A 66 -12.286 -4.906 8.359 1.00 0.00 C ATOM 924 NH1 ARG A 66 -13.249 -4.906 9.240 1.00 0.00 N ATOM 925 NH2 ARG A 66 -11.905 -6.028 7.810 1.00 0.00 N ATOM 0 H ARG A 66 -13.509 -0.577 5.762 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.388 0.788 8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -12.417 -1.783 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.748 -1.350 7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.561 -0.741 9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.017 -1.630 9.027 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.152 -2.722 9.044 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.476 -3.222 10.077 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.571 -3.553 7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.548 -4.030 9.669 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.703 -5.782 9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.153 -6.029 7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.359 -6.903 8.071 1.00 0.00 H new ATOM 939 N GLU A 67 -10.709 0.936 5.278 1.00 0.00 N ATOM 940 CA GLU A 67 -9.584 1.648 4.625 1.00 0.00 C ATOM 941 C GLU A 67 -9.863 3.158 4.628 1.00 0.00 C ATOM 942 O GLU A 67 -9.039 3.948 4.233 1.00 0.00 O ATOM 943 CB GLU A 67 -9.602 1.100 3.197 1.00 0.00 C ATOM 944 CG GLU A 67 -8.948 2.099 2.244 1.00 0.00 C ATOM 945 CD GLU A 67 -10.016 3.020 1.663 1.00 0.00 C ATOM 946 OE1 GLU A 67 -11.120 2.547 1.448 1.00 0.00 O ATOM 947 OE2 GLU A 67 -9.713 4.180 1.437 1.00 0.00 O ATOM 0 H GLU A 67 -11.267 0.352 4.655 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.624 1.502 5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.073 0.148 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.629 0.907 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.196 2.684 2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.433 1.570 1.442 1.00 0.00 H new ATOM 954 N ILE A 68 -11.031 3.560 5.042 1.00 0.00 N ATOM 955 CA ILE A 68 -11.358 5.016 5.049 1.00 0.00 C ATOM 956 C ILE A 68 -11.000 5.653 6.404 1.00 0.00 C ATOM 957 O ILE A 68 -10.601 6.799 6.470 1.00 0.00 O ATOM 958 CB ILE A 68 -12.875 5.070 4.767 1.00 0.00 C ATOM 959 CG1 ILE A 68 -13.105 5.459 3.304 1.00 0.00 C ATOM 960 CG2 ILE A 68 -13.569 6.100 5.668 1.00 0.00 C ATOM 961 CD1 ILE A 68 -12.205 4.616 2.402 1.00 0.00 C ATOM 0 H ILE A 68 -11.774 2.946 5.376 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.790 5.579 4.308 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.295 4.085 4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -14.151 5.306 3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.891 6.518 3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.636 6.116 5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.419 5.829 6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.146 7.088 5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.370 4.894 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.161 4.791 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.441 3.560 2.537 1.00 0.00 H new ATOM 973 N GLY A 69 -11.169 4.936 7.485 1.00 0.00 N ATOM 974 CA GLY A 69 -10.870 5.530 8.823 1.00 0.00 C ATOM 975 C GLY A 69 -9.369 5.567 9.086 1.00 0.00 C ATOM 976 O GLY A 69 -8.784 6.627 9.191 1.00 0.00 O ATOM 0 H GLY A 69 -11.499 3.971 7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.276 6.540 8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.364 4.948 9.601 1.00 0.00 H new ATOM 980 N MET A 70 -8.731 4.439 9.197 1.00 0.00 N ATOM 981 CA MET A 70 -7.267 4.468 9.455 1.00 0.00 C ATOM 982 C MET A 70 -6.631 5.424 8.475 1.00 0.00 C ATOM 983 O MET A 70 -5.793 6.241 8.797 1.00 0.00 O ATOM 984 CB MET A 70 -6.756 3.034 9.146 1.00 0.00 C ATOM 985 CG MET A 70 -5.695 3.044 8.014 1.00 0.00 C ATOM 986 SD MET A 70 -6.446 2.517 6.437 1.00 0.00 S ATOM 987 CE MET A 70 -7.232 0.988 7.008 1.00 0.00 C ATOM 0 H MET A 70 -9.150 3.512 9.122 1.00 0.00 H new ATOM 0 HA MET A 70 -7.033 4.777 10.474 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.325 2.597 10.047 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.595 2.402 8.855 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.276 4.044 7.908 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.871 2.379 8.273 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.164 0.230 6.227 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.725 0.631 7.905 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.280 1.181 7.236 1.00 0.00 H new ATOM 997 N LEU A 71 -6.996 5.241 7.253 1.00 0.00 N ATOM 998 CA LEU A 71 -6.408 6.025 6.166 1.00 0.00 C ATOM 999 C LEU A 71 -6.665 7.511 6.422 1.00 0.00 C ATOM 1000 O LEU A 71 -5.876 8.366 6.068 1.00 0.00 O ATOM 1001 CB LEU A 71 -7.145 5.495 4.938 1.00 0.00 C ATOM 1002 CG LEU A 71 -6.355 5.735 3.635 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -7.335 6.093 2.523 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -5.361 6.892 3.782 1.00 0.00 C ATOM 0 H LEU A 71 -7.697 4.561 6.958 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.327 5.934 6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.327 4.427 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.119 5.978 4.864 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.802 4.824 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.787 6.265 1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.040 5.273 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.880 6.997 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.823 7.031 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.901 7.806 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.651 6.663 4.577 1.00 0.00 H new ATOM 1016 N GLU A 72 -7.757 7.814 7.068 1.00 0.00 N ATOM 1017 CA GLU A 72 -8.073 9.233 7.386 1.00 0.00 C ATOM 1018 C GLU A 72 -7.296 9.662 8.637 1.00 0.00 C ATOM 1019 O GLU A 72 -6.796 10.766 8.718 1.00 0.00 O ATOM 1020 CB GLU A 72 -9.592 9.247 7.629 1.00 0.00 C ATOM 1021 CG GLU A 72 -9.956 10.243 8.737 1.00 0.00 C ATOM 1022 CD GLU A 72 -11.273 10.940 8.385 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -11.309 11.618 7.372 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -12.222 10.783 9.136 1.00 0.00 O ATOM 0 H GLU A 72 -8.447 7.135 7.390 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.793 9.927 6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.110 9.515 6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.930 8.248 7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.051 9.724 9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.162 10.980 8.853 1.00 0.00 H new ATOM 1031 N CYS A 73 -7.188 8.799 9.613 1.00 0.00 N ATOM 1032 CA CYS A 73 -6.439 9.175 10.845 1.00 0.00 C ATOM 1033 C CYS A 73 -5.090 9.761 10.441 1.00 0.00 C ATOM 1034 O CYS A 73 -4.641 10.755 10.977 1.00 0.00 O ATOM 1035 CB CYS A 73 -6.254 7.869 11.617 1.00 0.00 C ATOM 1036 SG CYS A 73 -7.553 7.717 12.869 1.00 0.00 S ATOM 0 H CYS A 73 -7.583 7.858 9.610 1.00 0.00 H new ATOM 0 HA CYS A 73 -6.957 9.920 11.449 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -6.293 7.021 10.933 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.273 7.851 12.092 1.00 0.00 H new ATOM 0 HG CYS A 73 -7.397 6.605 13.524 1.00 0.00 H new ATOM 1042 N VAL A 74 -4.458 9.165 9.472 1.00 0.00 N ATOM 1043 CA VAL A 74 -3.152 9.701 8.994 1.00 0.00 C ATOM 1044 C VAL A 74 -3.409 10.701 7.866 1.00 0.00 C ATOM 1045 O VAL A 74 -3.094 10.461 6.718 1.00 0.00 O ATOM 1046 CB VAL A 74 -2.337 8.499 8.496 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -1.734 7.764 9.693 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -3.227 7.531 7.707 1.00 0.00 C ATOM 0 H VAL A 74 -4.788 8.329 8.989 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.606 10.220 9.782 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.545 8.863 7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.155 6.910 9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.083 8.441 10.246 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.534 7.416 10.347 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.630 6.686 7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.031 7.170 8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.654 8.048 6.847 1.00 0.00 H new ATOM 1058 N THR A 75 -4.003 11.815 8.195 1.00 0.00 N ATOM 1059 CA THR A 75 -4.320 12.843 7.164 1.00 0.00 C ATOM 1060 C THR A 75 -3.105 13.140 6.281 1.00 0.00 C ATOM 1061 O THR A 75 -2.233 13.907 6.640 1.00 0.00 O ATOM 1062 CB THR A 75 -4.693 14.086 7.970 1.00 0.00 C ATOM 1063 OG1 THR A 75 -5.004 15.150 7.081 1.00 0.00 O ATOM 1064 CG2 THR A 75 -3.514 14.486 8.859 1.00 0.00 C ATOM 0 H THR A 75 -4.285 12.059 9.144 1.00 0.00 H new ATOM 0 HA THR A 75 -5.114 12.512 6.494 1.00 0.00 H new ATOM 0 HB THR A 75 -5.561 13.872 8.594 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.245 15.948 7.597 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.777 15.373 9.435 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.277 13.668 9.539 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.646 14.703 8.236 1.00 0.00 H new ATOM 1072 N ALA A 76 -3.057 12.548 5.121 1.00 0.00 N ATOM 1073 CA ALA A 76 -1.920 12.799 4.190 1.00 0.00 C ATOM 1074 C ALA A 76 -2.467 13.141 2.802 1.00 0.00 C ATOM 1075 O ALA A 76 -2.271 12.407 1.854 1.00 0.00 O ATOM 1076 CB ALA A 76 -1.136 11.488 4.154 1.00 0.00 C ATOM 0 H ALA A 76 -3.761 11.896 4.775 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.291 13.631 4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.280 11.594 3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.786 11.246 5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.781 10.688 3.792 1.00 0.00 H new ATOM 1082 N GLU A 77 -3.172 14.240 2.687 1.00 0.00 N ATOM 1083 CA GLU A 77 -3.761 14.633 1.369 1.00 0.00 C ATOM 1084 C GLU A 77 -4.288 13.399 0.651 1.00 0.00 C ATOM 1085 O GLU A 77 -3.869 13.053 -0.432 1.00 0.00 O ATOM 1086 CB GLU A 77 -2.633 15.308 0.583 1.00 0.00 C ATOM 1087 CG GLU A 77 -1.464 14.338 0.405 1.00 0.00 C ATOM 1088 CD GLU A 77 -0.478 14.908 -0.617 1.00 0.00 C ATOM 1089 OE1 GLU A 77 -0.569 16.090 -0.902 1.00 0.00 O ATOM 1090 OE2 GLU A 77 0.351 14.152 -1.095 1.00 0.00 O ATOM 0 H GLU A 77 -3.366 14.885 3.453 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.605 15.314 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.000 15.630 -0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.297 16.202 1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.963 14.177 1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.831 13.368 0.070 1.00 0.00 H new ATOM 1097 N LEU A 78 -5.213 12.741 1.272 1.00 0.00 N ATOM 1098 CA LEU A 78 -5.814 11.516 0.688 1.00 0.00 C ATOM 1099 C LEU A 78 -6.197 11.710 -0.784 1.00 0.00 C ATOM 1100 O LEU A 78 -6.806 12.692 -1.157 1.00 0.00 O ATOM 1101 CB LEU A 78 -7.057 11.310 1.531 1.00 0.00 C ATOM 1102 CG LEU A 78 -6.986 9.941 2.205 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -5.973 9.988 3.350 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.363 9.575 2.754 1.00 0.00 C ATOM 0 H LEU A 78 -5.589 13.005 2.183 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.126 10.671 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.135 12.095 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.949 11.376 0.908 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.674 9.191 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.922 9.011 3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.991 10.250 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.283 10.736 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.315 8.598 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.675 10.324 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.083 9.541 1.937 1.00 0.00 H new ATOM 1116 N LYS A 79 -5.867 10.755 -1.611 1.00 0.00 N ATOM 1117 CA LYS A 79 -6.233 10.840 -3.055 1.00 0.00 C ATOM 1118 C LYS A 79 -7.004 9.567 -3.410 1.00 0.00 C ATOM 1119 O LYS A 79 -7.246 8.746 -2.547 1.00 0.00 O ATOM 1120 CB LYS A 79 -4.921 10.922 -3.878 1.00 0.00 C ATOM 1121 CG LYS A 79 -3.669 10.798 -3.008 1.00 0.00 C ATOM 1122 CD LYS A 79 -2.576 11.728 -3.508 1.00 0.00 C ATOM 1123 CE LYS A 79 -2.406 12.873 -2.516 1.00 0.00 C ATOM 1124 NZ LYS A 79 -1.257 13.668 -3.032 1.00 0.00 N ATOM 0 H LYS A 79 -5.356 9.913 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.847 11.714 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.917 10.131 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.893 11.870 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.913 11.038 -1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.312 9.768 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.639 11.183 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.835 12.118 -4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.310 13.480 -2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.207 12.498 -1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.446 13.563 -2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.995 13.326 -3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.526 14.671 -3.089 1.00 0.00 H new ATOM 1138 N PRO A 80 -7.361 9.420 -4.653 1.00 0.00 N ATOM 1139 CA PRO A 80 -8.101 8.202 -5.069 1.00 0.00 C ATOM 1140 C PRO A 80 -7.222 6.951 -4.957 1.00 0.00 C ATOM 1141 O PRO A 80 -7.714 5.848 -4.823 1.00 0.00 O ATOM 1142 CB PRO A 80 -8.462 8.484 -6.524 1.00 0.00 C ATOM 1143 CG PRO A 80 -7.460 9.491 -6.981 1.00 0.00 C ATOM 1144 CD PRO A 80 -7.132 10.335 -5.781 1.00 0.00 C ATOM 0 HA PRO A 80 -8.971 8.005 -4.443 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.413 7.577 -7.126 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.478 8.870 -6.611 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.566 9.002 -7.368 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.864 10.103 -7.788 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.102 10.690 -5.808 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.772 11.216 -5.721 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.930 7.107 -5.038 1.00 0.00 N ATOM 1153 CA ASN A 81 -5.033 5.915 -4.963 1.00 0.00 C ATOM 1154 C ASN A 81 -4.449 5.696 -3.558 1.00 0.00 C ATOM 1155 O ASN A 81 -3.896 4.652 -3.274 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.913 6.212 -5.952 1.00 0.00 C ATOM 1157 CG ASN A 81 -3.224 7.523 -5.591 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -3.790 8.364 -4.920 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -2.009 7.728 -6.014 1.00 0.00 N ATOM 0 H ASN A 81 -5.456 8.003 -5.152 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.585 5.003 -5.193 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.188 5.398 -5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.317 6.272 -6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.528 8.597 -5.782 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.538 7.019 -6.577 1.00 0.00 H new ATOM 1166 N SER A 82 -4.554 6.652 -2.678 1.00 0.00 N ATOM 1167 CA SER A 82 -3.985 6.451 -1.305 1.00 0.00 C ATOM 1168 C SER A 82 -4.555 5.175 -0.692 1.00 0.00 C ATOM 1169 O SER A 82 -5.664 4.784 -0.993 1.00 0.00 O ATOM 1170 CB SER A 82 -4.465 7.643 -0.489 1.00 0.00 C ATOM 1171 OG SER A 82 -4.459 8.804 -1.294 1.00 0.00 O ATOM 0 H SER A 82 -5.002 7.554 -2.841 1.00 0.00 H new ATOM 0 HA SER A 82 -2.898 6.369 -1.328 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.470 7.456 -0.111 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.820 7.786 0.378 1.00 0.00 H new ATOM 0 HG SER A 82 -4.042 9.541 -0.801 1.00 0.00 H new ATOM 1177 N ARG A 83 -3.831 4.526 0.176 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.393 3.288 0.789 1.00 0.00 C ATOM 1179 C ARG A 83 -3.450 2.722 1.861 1.00 0.00 C ATOM 1180 O ARG A 83 -2.294 3.070 1.923 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.550 2.318 -0.392 1.00 0.00 C ATOM 1182 CG ARG A 83 -6.036 2.005 -0.609 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.471 2.434 -2.015 1.00 0.00 C ATOM 1184 NE ARG A 83 -6.281 1.228 -2.867 1.00 0.00 N ATOM 1185 CZ ARG A 83 -6.484 1.302 -4.153 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -5.836 2.182 -4.867 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -7.335 0.496 -4.726 1.00 0.00 N ATOM 0 H ARG A 83 -2.895 4.790 0.483 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.338 3.469 1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.125 2.757 -1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.999 1.398 -0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.213 0.938 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.637 2.523 0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.510 2.762 -2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.871 3.269 -2.375 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.992 0.345 -2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.171 2.812 -4.419 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.995 2.240 -5.873 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.841 -0.192 -4.168 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.494 0.554 -5.732 1.00 0.00 H new ATOM 1201 N LEU A 84 -3.947 1.844 2.699 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.094 1.227 3.773 1.00 0.00 C ATOM 1203 C LEU A 84 -2.304 0.050 3.201 1.00 0.00 C ATOM 1204 O LEU A 84 -2.799 -0.684 2.374 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.081 0.668 4.810 1.00 0.00 C ATOM 1206 CG LEU A 84 -3.771 1.187 6.222 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -4.573 0.363 7.233 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -2.297 0.988 6.536 1.00 0.00 C ATOM 0 H LEU A 84 -4.915 1.524 2.687 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.397 1.955 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.098 0.948 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.038 -0.421 4.804 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.027 2.245 6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.363 0.720 8.241 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.638 0.468 7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.290 -0.687 7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.085 1.359 7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.054 -0.073 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.694 1.536 5.812 1.00 0.00 H new ATOM 1220 N SER A 85 -1.091 -0.170 3.659 1.00 0.00 N ATOM 1221 CA SER A 85 -0.322 -1.345 3.162 1.00 0.00 C ATOM 1222 C SER A 85 -1.287 -2.532 3.057 1.00 0.00 C ATOM 1223 O SER A 85 -1.187 -3.396 2.208 1.00 0.00 O ATOM 1224 CB SER A 85 0.682 -1.641 4.252 1.00 0.00 C ATOM 1225 OG SER A 85 -0.013 -2.200 5.353 1.00 0.00 O ATOM 0 H SER A 85 -0.610 0.409 4.347 1.00 0.00 H new ATOM 0 HA SER A 85 0.150 -1.167 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.442 -2.334 3.891 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.198 -0.729 4.552 1.00 0.00 H new ATOM 0 HG SER A 85 0.630 -2.475 6.040 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.229 -2.521 3.964 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.291 -3.583 4.068 1.00 0.00 C ATOM 1233 C CYS A 86 -4.553 -3.164 3.313 1.00 0.00 C ATOM 1234 O CYS A 86 -5.646 -3.258 3.835 1.00 0.00 O ATOM 1235 CB CYS A 86 -3.635 -3.703 5.584 1.00 0.00 C ATOM 1236 SG CYS A 86 -3.313 -2.155 6.493 1.00 0.00 S ATOM 0 H CYS A 86 -2.313 -1.789 4.670 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.937 -4.522 3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.685 -3.975 5.695 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.048 -4.509 6.025 1.00 0.00 H new ATOM 0 HG CYS A 86 -2.739 -2.429 7.627 1.00 0.00 H new ATOM 1241 N GLN A 87 -4.434 -2.674 2.111 1.00 0.00 N ATOM 1242 CA GLN A 87 -5.665 -2.233 1.390 1.00 0.00 C ATOM 1243 C GLN A 87 -5.805 -2.845 0.006 1.00 0.00 C ATOM 1244 O GLN A 87 -6.883 -3.211 -0.419 1.00 0.00 O ATOM 1245 CB GLN A 87 -5.519 -0.723 1.271 1.00 0.00 C ATOM 1246 CG GLN A 87 -6.808 -0.046 1.710 1.00 0.00 C ATOM 1247 CD GLN A 87 -6.772 0.159 3.220 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -6.991 1.252 3.704 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -6.502 -0.852 3.994 1.00 0.00 N ATOM 0 H GLN A 87 -3.557 -2.560 1.603 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.555 -2.549 1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.688 -0.379 1.887 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.286 -0.451 0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.922 0.912 1.203 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.667 -0.657 1.433 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.318 -1.770 3.589 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.474 -0.727 5.006 1.00 0.00 H new ATOM 1258 N ILE A 88 -4.745 -2.889 -0.723 1.00 0.00 N ATOM 1259 CA ILE A 88 -4.837 -3.401 -2.119 1.00 0.00 C ATOM 1260 C ILE A 88 -4.299 -4.821 -2.252 1.00 0.00 C ATOM 1261 O ILE A 88 -3.433 -5.253 -1.519 1.00 0.00 O ATOM 1262 CB ILE A 88 -4.003 -2.443 -2.988 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.734 -1.117 -2.249 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.778 -2.163 -4.274 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -3.110 -0.092 -3.202 1.00 0.00 C ATOM 0 H ILE A 88 -3.815 -2.596 -0.424 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.881 -3.439 -2.430 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.041 -2.906 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.666 -0.725 -1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.066 -1.292 -1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.203 -1.485 -4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.948 -3.098 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.737 -1.706 -4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.926 0.839 -2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.168 -0.481 -3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.792 0.096 -4.031 1.00 0.00 H new ATOM 1277 N ILE A 89 -4.807 -5.532 -3.218 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.345 -6.917 -3.469 1.00 0.00 C ATOM 1279 C ILE A 89 -3.481 -6.919 -4.730 1.00 0.00 C ATOM 1280 O ILE A 89 -3.485 -5.971 -5.489 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.626 -7.723 -3.689 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.321 -7.964 -2.346 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.277 -9.062 -4.332 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.308 -8.491 -1.328 1.00 0.00 C ATOM 0 H ILE A 89 -5.535 -5.203 -3.853 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.750 -7.331 -2.655 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.296 -7.167 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.766 -7.037 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.133 -8.680 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.189 -9.638 -4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.787 -8.889 -5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.606 -9.617 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.806 -8.661 -0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.884 -9.428 -1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.511 -7.759 -1.196 1.00 0.00 H new ATOM 1296 N MET A 90 -2.741 -7.960 -4.965 1.00 0.00 N ATOM 1297 CA MET A 90 -1.888 -7.985 -6.182 1.00 0.00 C ATOM 1298 C MET A 90 -2.425 -9.001 -7.187 1.00 0.00 C ATOM 1299 O MET A 90 -2.479 -10.183 -6.921 1.00 0.00 O ATOM 1300 CB MET A 90 -0.501 -8.396 -5.687 1.00 0.00 C ATOM 1301 CG MET A 90 0.569 -7.623 -6.462 1.00 0.00 C ATOM 1302 SD MET A 90 0.322 -5.844 -6.226 1.00 0.00 S ATOM 1303 CE MET A 90 0.167 -5.405 -7.974 1.00 0.00 C ATOM 0 H MET A 90 -2.688 -8.789 -4.374 1.00 0.00 H new ATOM 0 HA MET A 90 -1.869 -7.021 -6.691 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.410 -8.193 -4.620 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.359 -9.468 -5.821 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.562 -7.912 -6.117 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.515 -7.871 -7.522 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.152 -4.366 -8.061 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.130 -5.532 -8.468 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.571 -6.052 -8.448 1.00 0.00 H new ATOM 1313 N THR A 91 -2.820 -8.550 -8.344 1.00 0.00 N ATOM 1314 CA THR A 91 -3.344 -9.494 -9.370 1.00 0.00 C ATOM 1315 C THR A 91 -2.218 -9.888 -10.330 1.00 0.00 C ATOM 1316 O THR A 91 -1.180 -9.258 -10.356 1.00 0.00 O ATOM 1317 CB THR A 91 -4.439 -8.723 -10.111 1.00 0.00 C ATOM 1318 OG1 THR A 91 -3.840 -7.816 -11.026 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.296 -7.949 -9.108 1.00 0.00 C ATOM 0 H THR A 91 -2.803 -7.569 -8.624 1.00 0.00 H new ATOM 0 HA THR A 91 -3.732 -10.412 -8.929 1.00 0.00 H new ATOM 0 HB THR A 91 -5.071 -9.425 -10.655 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.539 -7.311 -11.491 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.074 -7.402 -9.640 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.757 -8.647 -8.409 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.669 -7.246 -8.559 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.462 -10.919 -11.088 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.452 -11.401 -12.059 1.00 0.00 C ATOM 1329 C PRO A 92 -1.358 -10.442 -13.250 1.00 0.00 C ATOM 1330 O PRO A 92 -0.561 -10.628 -14.149 1.00 0.00 O ATOM 1331 CB PRO A 92 -1.981 -12.769 -12.481 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.456 -12.715 -12.228 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.686 -11.725 -11.114 1.00 0.00 C ATOM 0 HA PRO A 92 -0.446 -11.458 -11.644 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.769 -12.966 -13.532 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.512 -13.567 -11.906 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.989 -12.410 -13.129 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.834 -13.699 -11.951 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.564 -11.108 -11.305 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.851 -12.229 -10.162 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.157 -9.410 -13.254 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.108 -8.428 -14.376 1.00 0.00 C ATOM 1343 C GLU A 93 -1.519 -7.105 -13.861 1.00 0.00 C ATOM 1344 O GLU A 93 -0.587 -6.566 -14.424 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.575 -8.284 -14.833 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.046 -6.825 -14.752 1.00 0.00 C ATOM 1347 CD GLU A 93 -5.414 -6.692 -15.421 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -6.124 -7.683 -15.477 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -5.731 -5.602 -15.868 1.00 0.00 O ATOM 0 H GLU A 93 -2.843 -9.204 -12.528 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.477 -8.739 -15.208 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.676 -8.644 -15.857 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.215 -8.910 -14.211 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.107 -6.509 -13.711 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.325 -6.171 -15.242 1.00 0.00 H new ATOM 1356 N LEU A 94 -2.059 -6.590 -12.790 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.542 -5.314 -12.218 1.00 0.00 C ATOM 1358 C LEU A 94 -0.121 -5.501 -11.694 1.00 0.00 C ATOM 1359 O LEU A 94 0.150 -5.294 -10.530 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.476 -5.018 -11.057 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.225 -3.729 -11.339 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -4.001 -3.322 -10.089 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -2.220 -2.633 -11.711 1.00 0.00 C ATOM 0 H LEU A 94 -2.842 -7.002 -12.283 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.511 -4.514 -12.957 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.179 -5.840 -10.921 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.908 -4.928 -10.131 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.921 -3.872 -12.166 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.543 -2.396 -10.282 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.709 -4.109 -9.828 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.306 -3.170 -9.263 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.753 -1.704 -11.915 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.527 -2.479 -10.884 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.665 -2.935 -12.599 1.00 0.00 H new ATOM 1375 N ASP A 95 0.782 -5.921 -12.525 1.00 0.00 N ATOM 1376 CA ASP A 95 2.164 -6.154 -12.045 1.00 0.00 C ATOM 1377 C ASP A 95 3.119 -5.022 -12.423 1.00 0.00 C ATOM 1378 O ASP A 95 3.039 -4.449 -13.492 1.00 0.00 O ATOM 1379 CB ASP A 95 2.572 -7.463 -12.713 1.00 0.00 C ATOM 1380 CG ASP A 95 2.311 -7.380 -14.218 1.00 0.00 C ATOM 1381 OD1 ASP A 95 2.942 -6.560 -14.865 1.00 0.00 O ATOM 1382 OD2 ASP A 95 1.485 -8.139 -14.699 1.00 0.00 O ATOM 0 H ASP A 95 0.624 -6.113 -13.514 1.00 0.00 H new ATOM 0 HA ASP A 95 2.208 -6.197 -10.957 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.627 -7.663 -12.528 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.011 -8.292 -12.282 1.00 0.00 H new ATOM 1387 N GLY A 96 4.031 -4.706 -11.538 1.00 0.00 N ATOM 1388 CA GLY A 96 5.003 -3.612 -11.810 1.00 0.00 C ATOM 1389 C GLY A 96 4.552 -2.390 -11.030 1.00 0.00 C ATOM 1390 O GLY A 96 4.844 -1.266 -11.383 1.00 0.00 O ATOM 0 H GLY A 96 4.142 -5.164 -10.634 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.007 -3.909 -11.508 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.042 -3.392 -12.877 1.00 0.00 H new ATOM 1394 N ILE A 97 3.809 -2.610 -9.988 1.00 0.00 N ATOM 1395 CA ILE A 97 3.273 -1.472 -9.207 1.00 0.00 C ATOM 1396 C ILE A 97 4.308 -0.846 -8.288 1.00 0.00 C ATOM 1397 O ILE A 97 5.207 -1.491 -7.787 1.00 0.00 O ATOM 1398 CB ILE A 97 2.120 -2.057 -8.395 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.464 -0.935 -7.570 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.647 -3.167 -7.479 1.00 0.00 C ATOM 1401 CD1 ILE A 97 2.091 -0.843 -6.176 1.00 0.00 C ATOM 0 H ILE A 97 3.549 -3.534 -9.643 1.00 0.00 H new ATOM 0 HA ILE A 97 2.959 -0.666 -9.871 1.00 0.00 H new ATOM 0 HB ILE A 97 1.373 -2.487 -9.063 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.578 0.017 -8.088 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.394 -1.122 -7.480 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.822 -3.583 -6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.099 -3.953 -8.083 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.394 -2.755 -6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.610 -0.043 -5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.953 -1.789 -5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.156 -0.632 -6.269 1.00 0.00 H new ATOM 1413 N VAL A 98 4.151 0.424 -8.059 1.00 0.00 N ATOM 1414 CA VAL A 98 5.080 1.152 -7.163 1.00 0.00 C ATOM 1415 C VAL A 98 4.306 1.632 -5.937 1.00 0.00 C ATOM 1416 O VAL A 98 3.317 2.327 -6.055 1.00 0.00 O ATOM 1417 CB VAL A 98 5.568 2.342 -7.988 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.681 3.069 -7.230 1.00 0.00 C ATOM 1419 CG2 VAL A 98 6.108 1.842 -9.331 1.00 0.00 C ATOM 0 H VAL A 98 3.408 0.995 -8.461 1.00 0.00 H new ATOM 0 HA VAL A 98 5.911 0.538 -6.814 1.00 0.00 H new ATOM 0 HB VAL A 98 4.739 3.029 -8.160 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.028 3.918 -7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.298 3.424 -6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.511 2.384 -7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.457 2.689 -9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.937 1.155 -9.157 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.316 1.325 -9.872 1.00 0.00 H new ATOM 1429 N VAL A 99 4.735 1.276 -4.760 1.00 0.00 N ATOM 1430 CA VAL A 99 3.995 1.732 -3.550 1.00 0.00 C ATOM 1431 C VAL A 99 4.751 2.842 -2.894 1.00 0.00 C ATOM 1432 O VAL A 99 5.849 3.189 -3.274 1.00 0.00 O ATOM 1433 CB VAL A 99 3.960 0.581 -2.548 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.696 0.655 -1.696 1.00 0.00 C ATOM 1435 CG2 VAL A 99 4.003 -0.737 -3.264 1.00 0.00 C ATOM 0 H VAL A 99 5.555 0.696 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 99 2.995 2.056 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 99 4.833 0.666 -1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.686 -0.173 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.679 1.599 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.819 0.591 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.977 -1.548 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.143 -0.818 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.920 -0.804 -3.849 1.00 0.00 H new ATOM 1445 N ASP A 100 4.184 3.365 -1.878 1.00 0.00 N ATOM 1446 CA ASP A 100 4.883 4.424 -1.138 1.00 0.00 C ATOM 1447 C ASP A 100 4.266 4.603 0.235 1.00 0.00 C ATOM 1448 O ASP A 100 3.075 4.526 0.399 1.00 0.00 O ATOM 1449 CB ASP A 100 4.727 5.698 -1.963 1.00 0.00 C ATOM 1450 CG ASP A 100 5.796 5.739 -3.057 1.00 0.00 C ATOM 1451 OD1 ASP A 100 6.896 6.180 -2.767 1.00 0.00 O ATOM 1452 OD2 ASP A 100 5.496 5.330 -4.167 1.00 0.00 O ATOM 0 H ASP A 100 3.264 3.110 -1.520 1.00 0.00 H new ATOM 0 HA ASP A 100 5.934 4.176 -0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.734 5.733 -2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.818 6.573 -1.319 1.00 0.00 H new ATOM 1457 N VAL A 101 5.050 4.885 1.216 1.00 0.00 N ATOM 1458 CA VAL A 101 4.450 5.116 2.561 1.00 0.00 C ATOM 1459 C VAL A 101 4.230 6.627 2.718 1.00 0.00 C ATOM 1460 O VAL A 101 5.093 7.413 2.380 1.00 0.00 O ATOM 1461 CB VAL A 101 5.453 4.565 3.576 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.028 4.974 4.987 1.00 0.00 C ATOM 1463 CG2 VAL A 101 5.483 3.032 3.482 1.00 0.00 C ATOM 0 H VAL A 101 6.065 4.967 1.160 1.00 0.00 H new ATOM 0 HA VAL A 101 3.489 4.623 2.704 1.00 0.00 H new ATOM 0 HB VAL A 101 6.444 4.966 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.743 4.581 5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.000 6.061 5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.038 4.571 5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.197 2.637 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.491 2.635 3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.782 2.735 2.477 1.00 0.00 H new ATOM 1473 N PRO A 102 3.058 6.991 3.172 1.00 0.00 N ATOM 1474 CA PRO A 102 2.707 8.417 3.301 1.00 0.00 C ATOM 1475 C PRO A 102 3.302 9.065 4.555 1.00 0.00 C ATOM 1476 O PRO A 102 3.232 8.522 5.640 1.00 0.00 O ATOM 1477 CB PRO A 102 1.198 8.416 3.388 1.00 0.00 C ATOM 1478 CG PRO A 102 0.818 7.059 3.875 1.00 0.00 C ATOM 1479 CD PRO A 102 1.972 6.122 3.611 1.00 0.00 C ATOM 0 HA PRO A 102 3.101 8.995 2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.846 9.189 4.071 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.750 8.622 2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.588 7.088 4.940 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.080 6.710 3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.246 5.568 4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.719 5.387 2.847 1.00 0.00 H new