USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 548 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 59 ASN : amide:sc= -1.54! C(o=-0.27!,f=-11!) USER MOD Set 1.2: A 60 SER OG : rot 92:sc= 1.27 USER MOD Set 2.1: A 48 GLN : amide:sc= -3.3! C(o=-3.6!,f=-7.3!) USER MOD Set 2.2: A 52 ASN : amide:sc= -0.258 K(o=-3.6,f=-5.8!) USER MOD Set 3.1: A 21 GLN :FLIP amide:sc= -4.65! C(o=-5.1!,f=-4.6!) USER MOD Set 3.2: A 50 TYR OH : rot 180:sc= 0.0578 USER MOD Single : A 13 MET CE :methyl -152:sc= -0.139 (180deg=-0.908) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.057) USER MOD Single : A 24 GLN : amide:sc= -0.0159 K(o=-0.016,f=-1.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 55:sc= 0.456 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.708 F(o=-1.5,f=-0.71) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -28:sc= 0.387 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 172:sc= -3.31 (180deg=-3.54!) USER MOD Single : A 51 SER OG : rot -100:sc= 1.15 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -8.82! C(o=-8.8!,f=-15!) USER MOD Single : A 61 THR OG1 : rot 99:sc= 1.16 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -86:sc= 0.0101 USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0927) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 13 60.400 3.969 13.819 1.00 1.00 N ATOM 2 CA MET A 13 59.091 4.174 13.137 1.00 1.00 C ATOM 3 C MET A 13 59.329 4.761 11.750 1.00 1.00 C ATOM 4 O MET A 13 58.482 4.648 10.868 1.00 1.00 O ATOM 5 CB MET A 13 58.232 5.130 13.968 1.00 1.00 C ATOM 6 CG MET A 13 58.998 6.434 14.199 1.00 1.00 C ATOM 7 SD MET A 13 58.037 7.512 15.296 1.00 1.00 S ATOM 8 CE MET A 13 56.689 7.880 14.140 1.00 1.00 C ATOM 0 HA MET A 13 58.573 3.220 13.037 1.00 1.00 H new ATOM 0 HB2 MET A 13 57.293 5.334 13.453 1.00 1.00 H new ATOM 0 HB3 MET A 13 57.978 4.671 14.923 1.00 1.00 H new ATOM 0 HG2 MET A 13 59.972 6.223 14.640 1.00 1.00 H new ATOM 0 HG3 MET A 13 59.181 6.934 13.248 1.00 1.00 H new ATOM 0 HE1 MET A 13 56.266 8.857 14.374 1.00 1.00 H new ATOM 0 HE2 MET A 13 57.075 7.887 13.121 1.00 1.00 H new ATOM 0 HE3 MET A 13 55.915 7.118 14.229 1.00 1.00 H new ATOM 18 N ARG A 14 60.490 5.383 11.565 1.00 1.00 N ATOM 19 CA ARG A 14 60.844 5.992 10.298 1.00 1.00 C ATOM 20 C ARG A 14 60.421 5.115 9.122 1.00 1.00 C ATOM 21 O ARG A 14 60.204 5.604 8.019 1.00 1.00 O ATOM 22 CB ARG A 14 62.351 6.208 10.262 1.00 1.00 C ATOM 23 CG ARG A 14 62.686 7.164 9.131 1.00 1.00 C ATOM 24 CD ARG A 14 64.184 7.440 9.124 1.00 1.00 C ATOM 25 NE ARG A 14 64.921 6.215 8.847 1.00 1.00 N ATOM 26 CZ ARG A 14 66.249 6.204 8.803 1.00 1.00 C ATOM 27 NH1 ARG A 14 66.918 7.307 9.008 1.00 1.00 N ATOM 28 NH2 ARG A 14 66.884 5.092 8.555 1.00 1.00 N ATOM 0 H ARG A 14 61.204 5.476 12.287 1.00 1.00 H new ATOM 0 HA ARG A 14 60.321 6.944 10.209 1.00 1.00 H new ATOM 0 HB2 ARG A 14 62.696 6.614 11.213 1.00 1.00 H new ATOM 0 HB3 ARG A 14 62.864 5.258 10.116 1.00 1.00 H new ATOM 0 HG2 ARG A 14 62.380 6.736 8.176 1.00 1.00 H new ATOM 0 HG3 ARG A 14 62.135 8.096 9.254 1.00 1.00 H new ATOM 0 HD2 ARG A 14 64.419 8.192 8.371 1.00 1.00 H new ATOM 0 HD3 ARG A 14 64.490 7.847 10.088 1.00 1.00 H new ATOM 0 HE ARG A 14 64.408 5.349 8.684 1.00 1.00 H new ATOM 0 HH11 ARG A 14 66.421 8.176 9.202 1.00 1.00 H new ATOM 0 HH12 ARG A 14 67.937 7.299 8.974 1.00 1.00 H new ATOM 0 HH21 ARG A 14 66.361 4.231 8.395 1.00 1.00 H new ATOM 0 HH22 ARG A 14 67.903 5.083 8.521 1.00 1.00 H new ATOM 42 N ILE A 15 60.316 3.815 9.363 1.00 1.00 N ATOM 43 CA ILE A 15 59.931 2.863 8.313 1.00 1.00 C ATOM 44 C ILE A 15 58.811 3.461 7.472 1.00 1.00 C ATOM 45 O ILE A 15 58.885 3.508 6.244 1.00 1.00 O ATOM 46 CB ILE A 15 59.459 1.530 8.945 1.00 1.00 C ATOM 47 CG1 ILE A 15 59.888 1.480 10.426 1.00 1.00 C ATOM 48 CG2 ILE A 15 60.095 0.337 8.199 1.00 1.00 C ATOM 49 CD1 ILE A 15 59.648 0.073 11.001 1.00 1.00 C ATOM 0 H ILE A 15 60.490 3.389 10.273 1.00 1.00 H new ATOM 0 HA ILE A 15 60.795 2.663 7.679 1.00 1.00 H new ATOM 0 HB ILE A 15 58.373 1.469 8.870 1.00 1.00 H new ATOM 0 HG12 ILE A 15 60.942 1.743 10.516 1.00 1.00 H new ATOM 0 HG13 ILE A 15 59.326 2.216 11.000 1.00 1.00 H new ATOM 0 HG21 ILE A 15 59.757 -0.596 8.650 1.00 1.00 H new ATOM 0 HG22 ILE A 15 59.796 0.362 7.151 1.00 1.00 H new ATOM 0 HG23 ILE A 15 61.181 0.402 8.268 1.00 1.00 H new ATOM 0 HD11 ILE A 15 59.955 0.050 12.047 1.00 1.00 H new ATOM 0 HD12 ILE A 15 58.589 -0.174 10.928 1.00 1.00 H new ATOM 0 HD13 ILE A 15 60.230 -0.655 10.436 1.00 1.00 H new ATOM 61 N TYR A 16 57.792 3.932 8.160 1.00 1.00 N ATOM 62 CA TYR A 16 56.659 4.554 7.498 1.00 1.00 C ATOM 63 C TYR A 16 57.173 5.677 6.600 1.00 1.00 C ATOM 64 O TYR A 16 56.786 5.787 5.437 1.00 1.00 O ATOM 65 CB TYR A 16 55.661 5.073 8.583 1.00 1.00 C ATOM 66 CG TYR A 16 55.748 6.593 8.764 1.00 1.00 C ATOM 67 CD1 TYR A 16 56.703 7.159 9.636 1.00 1.00 C ATOM 68 CD2 TYR A 16 54.865 7.443 8.065 1.00 1.00 C ATOM 69 CE1 TYR A 16 56.777 8.540 9.798 1.00 1.00 C ATOM 70 CE2 TYR A 16 54.947 8.830 8.235 1.00 1.00 C ATOM 71 CZ TYR A 16 55.901 9.378 9.100 1.00 1.00 C ATOM 72 OH TYR A 16 55.976 10.747 9.260 1.00 1.00 O ATOM 0 H TYR A 16 57.723 3.897 9.177 1.00 1.00 H new ATOM 0 HA TYR A 16 56.125 3.840 6.871 1.00 1.00 H new ATOM 0 HB2 TYR A 16 54.644 4.799 8.301 1.00 1.00 H new ATOM 0 HB3 TYR A 16 55.871 4.582 9.533 1.00 1.00 H new ATOM 0 HD1 TYR A 16 57.380 6.517 10.180 1.00 1.00 H new ATOM 0 HD2 TYR A 16 54.126 7.023 7.399 1.00 1.00 H new ATOM 0 HE1 TYR A 16 57.513 8.965 10.464 1.00 1.00 H new ATOM 0 HE2 TYR A 16 54.272 9.479 7.697 1.00 1.00 H new ATOM 0 HH TYR A 16 55.296 11.179 8.702 1.00 1.00 H new ATOM 82 N LYS A 17 58.069 6.483 7.146 1.00 1.00 N ATOM 83 CA LYS A 17 58.661 7.569 6.383 1.00 1.00 C ATOM 84 C LYS A 17 59.506 6.991 5.253 1.00 1.00 C ATOM 85 O LYS A 17 59.577 7.557 4.172 1.00 1.00 O ATOM 86 CB LYS A 17 59.530 8.449 7.283 1.00 1.00 C ATOM 87 CG LYS A 17 60.017 9.665 6.490 1.00 1.00 C ATOM 88 CD LYS A 17 60.840 10.578 7.403 1.00 1.00 C ATOM 89 CE LYS A 17 61.335 11.787 6.604 1.00 1.00 C ATOM 90 NZ LYS A 17 60.209 12.744 6.405 1.00 1.00 N ATOM 0 H LYS A 17 58.400 6.407 8.108 1.00 1.00 H new ATOM 0 HA LYS A 17 57.863 8.184 5.967 1.00 1.00 H new ATOM 0 HB2 LYS A 17 58.959 8.773 8.153 1.00 1.00 H new ATOM 0 HB3 LYS A 17 60.381 7.879 7.655 1.00 1.00 H new ATOM 0 HG2 LYS A 17 60.621 9.341 5.643 1.00 1.00 H new ATOM 0 HG3 LYS A 17 59.166 10.212 6.084 1.00 1.00 H new ATOM 0 HD2 LYS A 17 60.234 10.909 8.246 1.00 1.00 H new ATOM 0 HD3 LYS A 17 61.687 10.030 7.816 1.00 1.00 H new ATOM 0 HE2 LYS A 17 62.153 12.276 7.133 1.00 1.00 H new ATOM 0 HE3 LYS A 17 61.727 11.464 5.640 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 60.571 13.623 5.984 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 59.502 12.321 5.770 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 59.767 12.956 7.322 1.00 1.00 H new ATOM 104 N GLY A 18 60.140 5.847 5.515 1.00 1.00 N ATOM 105 CA GLY A 18 60.969 5.187 4.510 1.00 1.00 C ATOM 106 C GLY A 18 60.113 4.594 3.405 1.00 1.00 C ATOM 107 O GLY A 18 60.557 4.460 2.265 1.00 1.00 O ATOM 0 H GLY A 18 60.095 5.361 6.411 1.00 1.00 H new ATOM 0 HA2 GLY A 18 61.672 5.903 4.086 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.560 4.400 4.980 1.00 1.00 H new ATOM 111 N VAL A 19 58.891 4.214 3.759 1.00 1.00 N ATOM 112 CA VAL A 19 57.991 3.608 2.795 1.00 1.00 C ATOM 113 C VAL A 19 57.619 4.624 1.720 1.00 1.00 C ATOM 114 O VAL A 19 57.147 4.260 0.641 1.00 1.00 O ATOM 115 CB VAL A 19 56.735 3.070 3.508 1.00 1.00 C ATOM 116 CG1 VAL A 19 55.602 2.805 2.487 1.00 1.00 C ATOM 117 CG2 VAL A 19 57.081 1.751 4.219 1.00 1.00 C ATOM 0 H VAL A 19 58.506 4.315 4.698 1.00 1.00 H new ATOM 0 HA VAL A 19 58.492 2.769 2.313 1.00 1.00 H new ATOM 0 HB VAL A 19 56.398 3.814 4.230 1.00 1.00 H new ATOM 0 HG11 VAL A 19 54.723 2.426 3.009 1.00 1.00 H new ATOM 0 HG12 VAL A 19 55.348 3.734 1.976 1.00 1.00 H new ATOM 0 HG13 VAL A 19 55.936 2.069 1.756 1.00 1.00 H new ATOM 0 HG21 VAL A 19 56.195 1.367 4.725 1.00 1.00 H new ATOM 0 HG22 VAL A 19 57.425 1.022 3.486 1.00 1.00 H new ATOM 0 HG23 VAL A 19 57.869 1.928 4.951 1.00 1.00 H new ATOM 127 N ILE A 20 57.844 5.892 2.024 1.00 1.00 N ATOM 128 CA ILE A 20 57.540 6.965 1.085 1.00 1.00 C ATOM 129 C ILE A 20 58.206 6.642 -0.238 1.00 1.00 C ATOM 130 O ILE A 20 57.655 6.906 -1.304 1.00 1.00 O ATOM 131 CB ILE A 20 58.123 8.291 1.631 1.00 1.00 C ATOM 132 CG1 ILE A 20 57.219 8.849 2.761 1.00 1.00 C ATOM 133 CG2 ILE A 20 58.279 9.346 0.512 1.00 1.00 C ATOM 134 CD1 ILE A 20 55.795 9.159 2.244 1.00 1.00 C ATOM 0 H ILE A 20 58.236 6.205 2.912 1.00 1.00 H new ATOM 0 HA ILE A 20 56.462 7.062 0.954 1.00 1.00 H new ATOM 0 HB ILE A 20 59.113 8.077 2.032 1.00 1.00 H new ATOM 0 HG12 ILE A 20 57.163 8.126 3.574 1.00 1.00 H new ATOM 0 HG13 ILE A 20 57.664 9.756 3.171 1.00 1.00 H new ATOM 0 HG21 ILE A 20 58.691 10.264 0.932 1.00 1.00 H new ATOM 0 HG22 ILE A 20 58.952 8.965 -0.256 1.00 1.00 H new ATOM 0 HG23 ILE A 20 57.305 9.555 0.070 1.00 1.00 H new ATOM 0 HD11 ILE A 20 55.188 9.548 3.061 1.00 1.00 H new ATOM 0 HD12 ILE A 20 55.851 9.901 1.448 1.00 1.00 H new ATOM 0 HD13 ILE A 20 55.341 8.246 1.858 1.00 1.00 H new ATOM 146 N GLN A 21 59.392 6.061 -0.158 1.00 1.00 N ATOM 147 CA GLN A 21 60.122 5.697 -1.360 1.00 1.00 C ATOM 148 C GLN A 21 59.182 4.979 -2.318 1.00 1.00 C ATOM 149 O GLN A 21 59.361 5.021 -3.533 1.00 1.00 O ATOM 150 CB GLN A 21 61.293 4.778 -0.995 1.00 1.00 C ATOM 151 CG GLN A 21 62.323 5.552 -0.164 1.00 1.00 C ATOM 152 CD GLN A 21 63.467 4.630 0.237 1.00 1.00 C ATOM 153 OE1 GLN A 21 63.885 4.622 1.473 1.00 1.00 O flip ATOM 154 NE2 GLN A 21 63.996 3.899 -0.598 1.00 1.00 N flip ATOM 0 H GLN A 21 59.865 5.834 0.717 1.00 1.00 H new ATOM 0 HA GLN A 21 60.512 6.596 -1.838 1.00 1.00 H new ATOM 0 HB2 GLN A 21 60.930 3.918 -0.432 1.00 1.00 H new ATOM 0 HB3 GLN A 21 61.760 4.392 -1.901 1.00 1.00 H new ATOM 0 HG2 GLN A 21 62.708 6.394 -0.739 1.00 1.00 H new ATOM 0 HG3 GLN A 21 61.848 5.965 0.726 1.00 1.00 H new ATOM 0 HE21 GLN A 21 63.668 3.907 -1.564 1.00 1.00 H new ATOM 0 HE22 GLN A 21 64.763 3.285 -0.325 1.00 1.00 H new ATOM 163 N ALA A 22 58.155 4.345 -1.756 1.00 1.00 N ATOM 164 CA ALA A 22 57.165 3.649 -2.567 1.00 1.00 C ATOM 165 C ALA A 22 56.137 4.649 -3.090 1.00 1.00 C ATOM 166 O ALA A 22 55.790 4.642 -4.271 1.00 1.00 O ATOM 167 CB ALA A 22 56.449 2.576 -1.736 1.00 1.00 C ATOM 0 H ALA A 22 57.989 4.300 -0.751 1.00 1.00 H new ATOM 0 HA ALA A 22 57.674 3.169 -3.403 1.00 1.00 H new ATOM 0 HB1 ALA A 22 55.713 2.066 -2.357 1.00 1.00 H new ATOM 0 HB2 ALA A 22 57.178 1.853 -1.369 1.00 1.00 H new ATOM 0 HB3 ALA A 22 55.947 3.046 -0.890 1.00 1.00 H new ATOM 173 N ILE A 23 55.650 5.502 -2.190 1.00 1.00 N ATOM 174 CA ILE A 23 54.649 6.506 -2.547 1.00 1.00 C ATOM 175 C ILE A 23 55.208 7.544 -3.523 1.00 1.00 C ATOM 176 O ILE A 23 54.566 7.877 -4.519 1.00 1.00 O ATOM 177 CB ILE A 23 54.160 7.216 -1.279 1.00 1.00 C ATOM 178 CG1 ILE A 23 53.673 6.174 -0.256 1.00 1.00 C ATOM 179 CG2 ILE A 23 53.018 8.173 -1.634 1.00 1.00 C ATOM 180 CD1 ILE A 23 52.579 5.280 -0.860 1.00 1.00 C ATOM 0 H ILE A 23 55.932 5.518 -1.210 1.00 1.00 H new ATOM 0 HA ILE A 23 53.822 5.992 -3.037 1.00 1.00 H new ATOM 0 HB ILE A 23 54.981 7.785 -0.843 1.00 1.00 H new ATOM 0 HG12 ILE A 23 54.512 5.559 0.070 1.00 1.00 H new ATOM 0 HG13 ILE A 23 53.287 6.680 0.629 1.00 1.00 H new ATOM 0 HG21 ILE A 23 52.672 8.677 -0.732 1.00 1.00 H new ATOM 0 HG22 ILE A 23 53.374 8.914 -2.350 1.00 1.00 H new ATOM 0 HG23 ILE A 23 52.195 7.610 -2.074 1.00 1.00 H new ATOM 0 HD11 ILE A 23 52.252 4.553 -0.117 1.00 1.00 H new ATOM 0 HD12 ILE A 23 51.732 5.896 -1.162 1.00 1.00 H new ATOM 0 HD13 ILE A 23 52.976 4.757 -1.730 1.00 1.00 H new ATOM 192 N GLN A 24 56.395 8.062 -3.222 1.00 1.00 N ATOM 193 CA GLN A 24 57.020 9.076 -4.068 1.00 1.00 C ATOM 194 C GLN A 24 57.411 8.516 -5.433 1.00 1.00 C ATOM 195 O GLN A 24 57.235 9.179 -6.454 1.00 1.00 O ATOM 196 CB GLN A 24 58.262 9.633 -3.372 1.00 1.00 C ATOM 197 CG GLN A 24 58.885 10.732 -4.233 1.00 1.00 C ATOM 198 CD GLN A 24 60.001 11.427 -3.459 1.00 1.00 C ATOM 199 OE1 GLN A 24 60.092 11.285 -2.239 1.00 1.00 O ATOM 200 NE2 GLN A 24 60.858 12.176 -4.098 1.00 1.00 N ATOM 0 H GLN A 24 56.942 7.798 -2.403 1.00 1.00 H new ATOM 0 HA GLN A 24 56.290 9.870 -4.228 1.00 1.00 H new ATOM 0 HB2 GLN A 24 57.994 10.032 -2.394 1.00 1.00 H new ATOM 0 HB3 GLN A 24 58.985 8.835 -3.204 1.00 1.00 H new ATOM 0 HG2 GLN A 24 59.281 10.304 -5.154 1.00 1.00 H new ATOM 0 HG3 GLN A 24 58.123 11.457 -4.520 1.00 1.00 H new ATOM 0 HE21 GLN A 24 60.780 12.292 -5.108 1.00 1.00 H new ATOM 0 HE22 GLN A 24 61.606 12.645 -3.587 1.00 1.00 H new ATOM 209 N LYS A 25 57.962 7.309 -5.450 1.00 1.00 N ATOM 210 CA LYS A 25 58.385 6.711 -6.712 1.00 1.00 C ATOM 211 C LYS A 25 57.290 6.824 -7.774 1.00 1.00 C ATOM 212 O LYS A 25 57.497 7.426 -8.827 1.00 1.00 O ATOM 213 CB LYS A 25 58.758 5.228 -6.497 1.00 1.00 C ATOM 214 CG LYS A 25 60.226 5.091 -6.036 1.00 1.00 C ATOM 215 CD LYS A 25 61.165 5.127 -7.255 1.00 1.00 C ATOM 216 CE LYS A 25 62.595 4.823 -6.818 1.00 1.00 C ATOM 217 NZ LYS A 25 63.508 4.958 -7.989 1.00 1.00 N ATOM 0 H LYS A 25 58.125 6.734 -4.623 1.00 1.00 H new ATOM 0 HA LYS A 25 59.260 7.256 -7.067 1.00 1.00 H new ATOM 0 HB2 LYS A 25 58.096 4.786 -5.752 1.00 1.00 H new ATOM 0 HB3 LYS A 25 58.610 4.673 -7.424 1.00 1.00 H new ATOM 0 HG2 LYS A 25 60.477 5.899 -5.349 1.00 1.00 H new ATOM 0 HG3 LYS A 25 60.359 4.156 -5.491 1.00 1.00 H new ATOM 0 HD2 LYS A 25 60.840 4.398 -7.997 1.00 1.00 H new ATOM 0 HD3 LYS A 25 61.121 6.107 -7.730 1.00 1.00 H new ATOM 0 HE2 LYS A 25 62.898 5.507 -6.025 1.00 1.00 H new ATOM 0 HE3 LYS A 25 62.656 3.814 -6.409 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 64.484 4.751 -7.694 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 63.222 4.289 -8.732 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 63.457 5.928 -8.359 1.00 1.00 H new ATOM 231 N SER A 26 56.132 6.242 -7.494 1.00 1.00 N ATOM 232 CA SER A 26 55.024 6.274 -8.437 1.00 1.00 C ATOM 233 C SER A 26 55.490 5.855 -9.822 1.00 1.00 C ATOM 234 O SER A 26 54.783 6.030 -10.813 1.00 1.00 O ATOM 235 CB SER A 26 54.437 7.669 -8.512 1.00 1.00 C ATOM 236 OG SER A 26 53.779 7.973 -7.290 1.00 1.00 O ATOM 0 H SER A 26 55.936 5.744 -6.625 1.00 1.00 H new ATOM 0 HA SER A 26 54.263 5.577 -8.087 1.00 1.00 H new ATOM 0 HB2 SER A 26 55.225 8.397 -8.704 1.00 1.00 H new ATOM 0 HB3 SER A 26 53.734 7.735 -9.342 1.00 1.00 H new ATOM 0 HG SER A 26 54.403 7.854 -6.544 1.00 1.00 H new ATOM 242 N ASP A 27 56.695 5.309 -9.868 1.00 1.00 N ATOM 243 CA ASP A 27 57.294 4.851 -11.117 1.00 1.00 C ATOM 244 C ASP A 27 57.756 3.412 -10.944 1.00 1.00 C ATOM 245 O ASP A 27 58.649 2.941 -11.651 1.00 1.00 O ATOM 246 CB ASP A 27 58.479 5.744 -11.493 1.00 1.00 C ATOM 247 CG ASP A 27 57.975 7.086 -12.014 1.00 1.00 C ATOM 248 OD1 ASP A 27 56.808 7.168 -12.361 1.00 1.00 O ATOM 249 OD2 ASP A 27 58.766 8.015 -12.058 1.00 1.00 O ATOM 0 H ASP A 27 57.284 5.170 -9.047 1.00 1.00 H new ATOM 0 HA ASP A 27 56.556 4.905 -11.918 1.00 1.00 H new ATOM 0 HB2 ASP A 27 59.119 5.899 -10.624 1.00 1.00 H new ATOM 0 HB3 ASP A 27 59.087 5.254 -12.253 1.00 1.00 H new ATOM 254 N GLU A 28 57.129 2.716 -9.988 1.00 1.00 N ATOM 255 CA GLU A 28 57.458 1.314 -9.705 1.00 1.00 C ATOM 256 C GLU A 28 56.306 0.395 -10.089 1.00 1.00 C ATOM 257 O GLU A 28 56.179 -0.704 -9.553 1.00 1.00 O ATOM 258 CB GLU A 28 57.785 1.135 -8.214 1.00 1.00 C ATOM 259 CG GLU A 28 59.195 1.664 -7.922 1.00 1.00 C ATOM 260 CD GLU A 28 60.236 0.752 -8.565 1.00 1.00 C ATOM 261 OE1 GLU A 28 59.910 -0.395 -8.822 1.00 1.00 O ATOM 262 OE2 GLU A 28 61.343 1.213 -8.787 1.00 1.00 O ATOM 0 H GLU A 28 56.391 3.101 -9.398 1.00 1.00 H new ATOM 0 HA GLU A 28 58.330 1.047 -10.302 1.00 1.00 H new ATOM 0 HB2 GLU A 28 57.054 1.668 -7.606 1.00 1.00 H new ATOM 0 HB3 GLU A 28 57.719 0.082 -7.942 1.00 1.00 H new ATOM 0 HG2 GLU A 28 59.299 2.678 -8.308 1.00 1.00 H new ATOM 0 HG3 GLU A 28 59.358 1.714 -6.845 1.00 1.00 H new ATOM 269 N GLY A 29 55.470 0.849 -11.022 1.00 1.00 N ATOM 270 CA GLY A 29 54.319 0.065 -11.468 1.00 1.00 C ATOM 271 C GLY A 29 53.055 0.526 -10.755 1.00 1.00 C ATOM 272 O GLY A 29 51.996 -0.084 -10.897 1.00 1.00 O ATOM 0 H GLY A 29 55.568 1.754 -11.483 1.00 1.00 H new ATOM 0 HA2 GLY A 29 54.195 0.170 -12.546 1.00 1.00 H new ATOM 0 HA3 GLY A 29 54.492 -0.993 -11.268 1.00 1.00 H new ATOM 276 N HIS A 30 53.192 1.595 -9.965 1.00 1.00 N ATOM 277 CA HIS A 30 52.083 2.134 -9.191 1.00 1.00 C ATOM 278 C HIS A 30 51.586 1.113 -8.161 1.00 1.00 C ATOM 279 O HIS A 30 50.385 1.023 -7.909 1.00 1.00 O ATOM 280 CB HIS A 30 50.935 2.565 -10.108 1.00 1.00 C ATOM 281 CG HIS A 30 51.359 3.765 -10.908 1.00 1.00 C ATOM 282 ND1 HIS A 30 51.400 3.996 -12.260 1.00 1.00 N flip ATOM 283 CD2 HIS A 30 51.812 4.932 -10.312 1.00 1.00 C flip ATOM 284 CE1 HIS A 30 51.869 5.283 -12.503 1.00 1.00 C flip ATOM 285 NE2 HIS A 30 52.102 5.804 -11.295 1.00 1.00 N flip ATOM 0 H HIS A 30 54.069 2.103 -9.848 1.00 1.00 H new ATOM 0 HA HIS A 30 52.446 3.012 -8.657 1.00 1.00 H new ATOM 0 HB2 HIS A 30 50.661 1.748 -10.775 1.00 1.00 H new ATOM 0 HB3 HIS A 30 50.051 2.803 -9.516 1.00 1.00 H new ATOM 0 HD2 HIS A 30 51.914 5.109 -9.251 1.00 1.00 H new ATOM 0 HE1 HIS A 30 52.014 5.759 -13.462 1.00 1.00 H new ATOM 0 HE2 HIS A 30 52.456 6.747 -11.137 1.00 1.00 H new ATOM 293 N PRO A 31 52.480 0.360 -7.534 1.00 1.00 N ATOM 294 CA PRO A 31 52.076 -0.641 -6.504 1.00 1.00 C ATOM 295 C PRO A 31 51.613 0.045 -5.232 1.00 1.00 C ATOM 296 O PRO A 31 51.972 1.192 -4.969 1.00 1.00 O ATOM 297 CB PRO A 31 53.339 -1.475 -6.266 1.00 1.00 C ATOM 298 CG PRO A 31 54.469 -0.563 -6.609 1.00 1.00 C ATOM 299 CD PRO A 31 53.942 0.357 -7.721 1.00 1.00 C ATOM 0 HA PRO A 31 51.236 -1.256 -6.826 1.00 1.00 H new ATOM 0 HB2 PRO A 31 53.402 -1.811 -5.231 1.00 1.00 H new ATOM 0 HB3 PRO A 31 53.347 -2.368 -6.892 1.00 1.00 H new ATOM 0 HG2 PRO A 31 54.783 0.015 -5.740 1.00 1.00 H new ATOM 0 HG3 PRO A 31 55.338 -1.127 -6.947 1.00 1.00 H new ATOM 0 HD2 PRO A 31 54.355 1.362 -7.634 1.00 1.00 H new ATOM 0 HD3 PRO A 31 54.215 -0.016 -8.708 1.00 1.00 H new ATOM 307 N PHE A 32 50.794 -0.663 -4.463 1.00 1.00 N ATOM 308 CA PHE A 32 50.253 -0.117 -3.225 1.00 1.00 C ATOM 309 C PHE A 32 50.397 -1.111 -2.073 1.00 1.00 C ATOM 310 O PHE A 32 51.427 -1.145 -1.398 1.00 1.00 O ATOM 311 CB PHE A 32 48.778 0.226 -3.447 1.00 1.00 C ATOM 312 CG PHE A 32 48.231 0.967 -2.247 1.00 1.00 C ATOM 313 CD1 PHE A 32 48.749 2.225 -1.905 1.00 1.00 C ATOM 314 CD2 PHE A 32 47.205 0.403 -1.478 1.00 1.00 C ATOM 315 CE1 PHE A 32 48.245 2.911 -0.796 1.00 1.00 C ATOM 316 CE2 PHE A 32 46.701 1.088 -0.369 1.00 1.00 C ATOM 317 CZ PHE A 32 47.219 2.345 -0.028 1.00 1.00 C ATOM 0 H PHE A 32 50.491 -1.614 -4.674 1.00 1.00 H new ATOM 0 HA PHE A 32 50.811 0.780 -2.955 1.00 1.00 H new ATOM 0 HB2 PHE A 32 48.670 0.838 -4.343 1.00 1.00 H new ATOM 0 HB3 PHE A 32 48.205 -0.686 -3.613 1.00 1.00 H new ATOM 0 HD1 PHE A 32 49.537 2.664 -2.499 1.00 1.00 H new ATOM 0 HD2 PHE A 32 46.802 -0.564 -1.743 1.00 1.00 H new ATOM 0 HE1 PHE A 32 48.647 3.878 -0.531 1.00 1.00 H new ATOM 0 HE2 PHE A 32 45.913 0.649 0.225 1.00 1.00 H new ATOM 0 HZ PHE A 32 46.827 2.877 0.826 1.00 1.00 H new ATOM 327 N ARG A 33 49.362 -1.916 -1.844 1.00 1.00 N ATOM 328 CA ARG A 33 49.390 -2.889 -0.767 1.00 1.00 C ATOM 329 C ARG A 33 50.385 -4.004 -1.052 1.00 1.00 C ATOM 330 O ARG A 33 51.020 -4.524 -0.142 1.00 1.00 O ATOM 331 CB ARG A 33 47.997 -3.468 -0.526 1.00 1.00 C ATOM 332 CG ARG A 33 47.484 -4.153 -1.808 1.00 1.00 C ATOM 333 CD ARG A 33 46.106 -4.786 -1.548 1.00 1.00 C ATOM 334 NE ARG A 33 45.639 -5.481 -2.745 1.00 1.00 N ATOM 335 CZ ARG A 33 45.002 -4.832 -3.714 1.00 1.00 C ATOM 336 NH1 ARG A 33 44.798 -3.547 -3.617 1.00 1.00 N ATOM 337 NH2 ARG A 33 44.583 -5.481 -4.767 1.00 1.00 N ATOM 0 H ARG A 33 48.500 -1.910 -2.389 1.00 1.00 H new ATOM 0 HA ARG A 33 49.714 -2.372 0.136 1.00 1.00 H new ATOM 0 HB2 ARG A 33 48.029 -4.187 0.293 1.00 1.00 H new ATOM 0 HB3 ARG A 33 47.311 -2.675 -0.227 1.00 1.00 H new ATOM 0 HG2 ARG A 33 47.413 -3.425 -2.616 1.00 1.00 H new ATOM 0 HG3 ARG A 33 48.191 -4.918 -2.130 1.00 1.00 H new ATOM 0 HD2 ARG A 33 46.170 -5.485 -0.714 1.00 1.00 H new ATOM 0 HD3 ARG A 33 45.391 -4.014 -1.264 1.00 1.00 H new ATOM 0 HE ARG A 33 45.805 -6.483 -2.839 1.00 1.00 H new ATOM 0 HH11 ARG A 33 45.128 -3.039 -2.796 1.00 1.00 H new ATOM 0 HH12 ARG A 33 44.309 -3.051 -4.362 1.00 1.00 H new ATOM 0 HH21 ARG A 33 44.745 -6.485 -4.845 1.00 1.00 H new ATOM 0 HH22 ARG A 33 44.094 -4.984 -5.511 1.00 1.00 H new ATOM 351 N ALA A 34 50.520 -4.379 -2.310 1.00 1.00 N ATOM 352 CA ALA A 34 51.452 -5.448 -2.645 1.00 1.00 C ATOM 353 C ALA A 34 52.835 -5.126 -2.074 1.00 1.00 C ATOM 354 O ALA A 34 53.597 -6.032 -1.738 1.00 1.00 O ATOM 355 CB ALA A 34 51.531 -5.680 -4.171 1.00 1.00 C ATOM 0 H ALA A 34 50.014 -3.976 -3.099 1.00 1.00 H new ATOM 0 HA ALA A 34 51.085 -6.372 -2.198 1.00 1.00 H new ATOM 0 HB1 ALA A 34 52.236 -6.484 -4.381 1.00 1.00 H new ATOM 0 HB2 ALA A 34 50.546 -5.953 -4.549 1.00 1.00 H new ATOM 0 HB3 ALA A 34 51.867 -4.766 -4.661 1.00 1.00 H new ATOM 361 N TYR A 35 53.150 -3.832 -1.954 1.00 1.00 N ATOM 362 CA TYR A 35 54.443 -3.415 -1.398 1.00 1.00 C ATOM 363 C TYR A 35 54.484 -3.663 0.125 1.00 1.00 C ATOM 364 O TYR A 35 55.542 -3.944 0.682 1.00 1.00 O ATOM 365 CB TYR A 35 54.726 -1.897 -1.697 1.00 1.00 C ATOM 366 CG TYR A 35 56.137 -1.703 -2.270 1.00 1.00 C ATOM 367 CD1 TYR A 35 57.247 -1.627 -1.398 1.00 1.00 C ATOM 368 CD2 TYR A 35 56.347 -1.596 -3.672 1.00 1.00 C ATOM 369 CE1 TYR A 35 58.535 -1.451 -1.915 1.00 1.00 C ATOM 370 CE2 TYR A 35 57.643 -1.420 -4.171 1.00 1.00 C ATOM 371 CZ TYR A 35 58.734 -1.349 -3.296 1.00 1.00 C ATOM 372 OH TYR A 35 60.008 -1.177 -3.797 1.00 1.00 O ATOM 0 H TYR A 35 52.538 -3.064 -2.230 1.00 1.00 H new ATOM 0 HA TYR A 35 55.218 -4.013 -1.878 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.987 -1.518 -2.403 1.00 1.00 H new ATOM 0 HB3 TYR A 35 54.619 -1.316 -0.781 1.00 1.00 H new ATOM 0 HD1 TYR A 35 57.100 -1.705 -0.331 1.00 1.00 H new ATOM 0 HD2 TYR A 35 55.509 -1.650 -4.351 1.00 1.00 H new ATOM 0 HE1 TYR A 35 59.380 -1.394 -1.245 1.00 1.00 H new ATOM 0 HE2 TYR A 35 57.802 -1.339 -5.236 1.00 1.00 H new ATOM 0 HH TYR A 35 59.971 -1.126 -4.775 1.00 1.00 H new ATOM 382 N LEU A 36 53.327 -3.529 0.789 1.00 1.00 N ATOM 383 CA LEU A 36 53.248 -3.704 2.242 1.00 1.00 C ATOM 384 C LEU A 36 53.696 -5.104 2.671 1.00 1.00 C ATOM 385 O LEU A 36 54.270 -5.277 3.744 1.00 1.00 O ATOM 386 CB LEU A 36 51.814 -3.444 2.725 1.00 1.00 C ATOM 387 CG LEU A 36 51.620 -1.942 3.002 1.00 1.00 C ATOM 388 CD1 LEU A 36 52.073 -1.088 1.802 1.00 1.00 C ATOM 389 CD2 LEU A 36 50.146 -1.682 3.280 1.00 1.00 C ATOM 0 H LEU A 36 52.438 -3.301 0.343 1.00 1.00 H new ATOM 0 HA LEU A 36 53.925 -2.983 2.699 1.00 1.00 H new ATOM 0 HB2 LEU A 36 51.101 -3.779 1.972 1.00 1.00 H new ATOM 0 HB3 LEU A 36 51.616 -4.018 3.630 1.00 1.00 H new ATOM 0 HG LEU A 36 52.228 -1.664 3.863 1.00 1.00 H new ATOM 0 HD11 LEU A 36 51.923 -0.033 2.029 1.00 1.00 H new ATOM 0 HD12 LEU A 36 53.129 -1.270 1.604 1.00 1.00 H new ATOM 0 HD13 LEU A 36 51.487 -1.356 0.923 1.00 1.00 H new ATOM 0 HD21 LEU A 36 49.995 -0.621 3.478 1.00 1.00 H new ATOM 0 HD22 LEU A 36 49.555 -1.977 2.413 1.00 1.00 H new ATOM 0 HD23 LEU A 36 49.832 -2.261 4.148 1.00 1.00 H new ATOM 401 N GLU A 37 53.422 -6.094 1.843 1.00 1.00 N ATOM 402 CA GLU A 37 53.790 -7.460 2.163 1.00 1.00 C ATOM 403 C GLU A 37 55.260 -7.553 2.575 1.00 1.00 C ATOM 404 O GLU A 37 55.583 -8.119 3.619 1.00 1.00 O ATOM 405 CB GLU A 37 53.556 -8.323 0.925 1.00 1.00 C ATOM 406 CG GLU A 37 53.949 -9.770 1.195 1.00 1.00 C ATOM 407 CD GLU A 37 53.126 -10.334 2.350 1.00 1.00 C ATOM 408 OE1 GLU A 37 53.499 -10.095 3.486 1.00 1.00 O ATOM 409 OE2 GLU A 37 52.130 -10.988 2.082 1.00 1.00 O ATOM 0 H GLU A 37 52.948 -5.979 0.947 1.00 1.00 H new ATOM 0 HA GLU A 37 53.182 -7.806 2.999 1.00 1.00 H new ATOM 0 HB2 GLU A 37 52.507 -8.274 0.635 1.00 1.00 H new ATOM 0 HB3 GLU A 37 54.137 -7.933 0.089 1.00 1.00 H new ATOM 0 HG2 GLU A 37 53.791 -10.370 0.299 1.00 1.00 H new ATOM 0 HG3 GLU A 37 55.011 -9.827 1.434 1.00 1.00 H new ATOM 416 N SER A 38 56.142 -7.016 1.736 1.00 1.00 N ATOM 417 CA SER A 38 57.580 -7.064 2.006 1.00 1.00 C ATOM 418 C SER A 38 57.990 -6.104 3.126 1.00 1.00 C ATOM 419 O SER A 38 59.039 -6.275 3.730 1.00 1.00 O ATOM 420 CB SER A 38 58.349 -6.716 0.726 1.00 1.00 C ATOM 421 OG SER A 38 58.077 -5.366 0.376 1.00 1.00 O ATOM 0 H SER A 38 55.890 -6.544 0.867 1.00 1.00 H new ATOM 0 HA SER A 38 57.823 -8.075 2.334 1.00 1.00 H new ATOM 0 HB2 SER A 38 59.419 -6.857 0.879 1.00 1.00 H new ATOM 0 HB3 SER A 38 58.053 -7.382 -0.084 1.00 1.00 H new ATOM 0 HG SER A 38 57.187 -5.116 0.702 1.00 1.00 H new ATOM 427 N GLU A 39 57.167 -5.099 3.398 1.00 1.00 N ATOM 428 CA GLU A 39 57.483 -4.125 4.439 1.00 1.00 C ATOM 429 C GLU A 39 57.465 -4.766 5.816 1.00 1.00 C ATOM 430 O GLU A 39 57.962 -4.196 6.786 1.00 1.00 O ATOM 431 CB GLU A 39 56.474 -2.966 4.403 1.00 1.00 C ATOM 432 CG GLU A 39 56.711 -2.088 3.168 1.00 1.00 C ATOM 433 CD GLU A 39 58.083 -1.421 3.241 1.00 1.00 C ATOM 434 OE1 GLU A 39 58.611 -1.319 4.335 1.00 1.00 O ATOM 435 OE2 GLU A 39 58.584 -1.026 2.202 1.00 1.00 O ATOM 0 H GLU A 39 56.282 -4.936 2.917 1.00 1.00 H new ATOM 0 HA GLU A 39 58.486 -3.745 4.246 1.00 1.00 H new ATOM 0 HB2 GLU A 39 55.458 -3.360 4.387 1.00 1.00 H new ATOM 0 HB3 GLU A 39 56.568 -2.365 5.308 1.00 1.00 H new ATOM 0 HG2 GLU A 39 56.643 -2.694 2.265 1.00 1.00 H new ATOM 0 HG3 GLU A 39 55.933 -1.327 3.101 1.00 1.00 H new ATOM 442 N VAL A 40 56.858 -5.943 5.913 1.00 1.00 N ATOM 443 CA VAL A 40 56.757 -6.616 7.199 1.00 1.00 C ATOM 444 C VAL A 40 58.082 -7.249 7.622 1.00 1.00 C ATOM 445 O VAL A 40 58.560 -7.004 8.731 1.00 1.00 O ATOM 446 CB VAL A 40 55.646 -7.682 7.170 1.00 1.00 C ATOM 447 CG1 VAL A 40 55.682 -8.492 8.473 1.00 1.00 C ATOM 448 CG2 VAL A 40 54.270 -7.011 7.036 1.00 1.00 C ATOM 0 H VAL A 40 56.436 -6.443 5.131 1.00 1.00 H new ATOM 0 HA VAL A 40 56.503 -5.856 7.938 1.00 1.00 H new ATOM 0 HB VAL A 40 55.811 -8.339 6.316 1.00 1.00 H new ATOM 0 HG11 VAL A 40 54.896 -9.247 8.454 1.00 1.00 H new ATOM 0 HG12 VAL A 40 56.652 -8.980 8.571 1.00 1.00 H new ATOM 0 HG13 VAL A 40 55.524 -7.825 9.321 1.00 1.00 H new ATOM 0 HG21 VAL A 40 53.493 -7.775 7.017 1.00 1.00 H new ATOM 0 HG22 VAL A 40 54.105 -6.347 7.884 1.00 1.00 H new ATOM 0 HG23 VAL A 40 54.235 -6.434 6.112 1.00 1.00 H new ATOM 458 N ALA A 41 58.675 -8.060 6.753 1.00 1.00 N ATOM 459 CA ALA A 41 59.947 -8.704 7.088 1.00 1.00 C ATOM 460 C ALA A 41 61.049 -7.649 7.178 1.00 1.00 C ATOM 461 O ALA A 41 62.014 -7.790 7.928 1.00 1.00 O ATOM 462 CB ALA A 41 60.319 -9.773 6.042 1.00 1.00 C ATOM 0 H ALA A 41 58.308 -8.286 5.829 1.00 1.00 H new ATOM 0 HA ALA A 41 59.840 -9.200 8.053 1.00 1.00 H new ATOM 0 HB1 ALA A 41 61.268 -10.235 6.315 1.00 1.00 H new ATOM 0 HB2 ALA A 41 59.541 -10.535 6.008 1.00 1.00 H new ATOM 0 HB3 ALA A 41 60.412 -9.306 5.062 1.00 1.00 H new ATOM 468 N ILE A 42 60.874 -6.593 6.394 1.00 1.00 N ATOM 469 CA ILE A 42 61.818 -5.473 6.344 1.00 1.00 C ATOM 470 C ILE A 42 61.808 -4.689 7.646 1.00 1.00 C ATOM 471 O ILE A 42 62.856 -4.284 8.142 1.00 1.00 O ATOM 472 CB ILE A 42 61.439 -4.563 5.172 1.00 1.00 C ATOM 473 CG1 ILE A 42 61.775 -5.287 3.873 1.00 1.00 C ATOM 474 CG2 ILE A 42 62.184 -3.221 5.245 1.00 1.00 C ATOM 475 CD1 ILE A 42 61.275 -4.496 2.653 1.00 1.00 C ATOM 0 H ILE A 42 60.073 -6.484 5.772 1.00 1.00 H new ATOM 0 HA ILE A 42 62.827 -5.861 6.203 1.00 1.00 H new ATOM 0 HB ILE A 42 60.372 -4.344 5.216 1.00 1.00 H new ATOM 0 HG12 ILE A 42 62.853 -5.429 3.801 1.00 1.00 H new ATOM 0 HG13 ILE A 42 61.322 -6.278 3.878 1.00 1.00 H new ATOM 0 HG21 ILE A 42 61.894 -2.597 4.400 1.00 1.00 H new ATOM 0 HG22 ILE A 42 61.929 -2.713 6.175 1.00 1.00 H new ATOM 0 HG23 ILE A 42 63.259 -3.399 5.212 1.00 1.00 H new ATOM 0 HD11 ILE A 42 61.528 -5.036 1.741 1.00 1.00 H new ATOM 0 HD12 ILE A 42 60.193 -4.376 2.715 1.00 1.00 H new ATOM 0 HD13 ILE A 42 61.748 -3.514 2.637 1.00 1.00 H new ATOM 487 N SER A 43 60.598 -4.466 8.147 1.00 1.00 N ATOM 488 CA SER A 43 60.353 -3.711 9.382 1.00 1.00 C ATOM 489 C SER A 43 61.598 -3.570 10.274 1.00 1.00 C ATOM 490 O SER A 43 61.842 -2.507 10.843 1.00 1.00 O ATOM 491 CB SER A 43 59.240 -4.399 10.174 1.00 1.00 C ATOM 492 OG SER A 43 59.095 -3.748 11.430 1.00 1.00 O ATOM 0 H SER A 43 59.745 -4.807 7.705 1.00 1.00 H new ATOM 0 HA SER A 43 60.065 -2.702 9.085 1.00 1.00 H new ATOM 0 HB2 SER A 43 58.303 -4.359 9.619 1.00 1.00 H new ATOM 0 HB3 SER A 43 59.479 -5.452 10.321 1.00 1.00 H new ATOM 0 HG SER A 43 58.382 -4.182 11.943 1.00 1.00 H new ATOM 498 N GLU A 44 62.374 -4.641 10.399 1.00 1.00 N ATOM 499 CA GLU A 44 63.582 -4.611 11.232 1.00 1.00 C ATOM 500 C GLU A 44 64.605 -3.603 10.695 1.00 1.00 C ATOM 501 O GLU A 44 65.179 -2.829 11.459 1.00 1.00 O ATOM 502 CB GLU A 44 64.214 -6.015 11.293 1.00 1.00 C ATOM 503 CG GLU A 44 63.376 -6.954 12.184 1.00 1.00 C ATOM 504 CD GLU A 44 62.157 -7.466 11.420 1.00 1.00 C ATOM 505 OE1 GLU A 44 61.953 -7.026 10.303 1.00 1.00 O ATOM 506 OE2 GLU A 44 61.448 -8.293 11.967 1.00 1.00 O ATOM 0 H GLU A 44 62.195 -5.535 9.941 1.00 1.00 H new ATOM 0 HA GLU A 44 63.292 -4.298 12.235 1.00 1.00 H new ATOM 0 HB2 GLU A 44 64.287 -6.430 10.288 1.00 1.00 H new ATOM 0 HB3 GLU A 44 65.229 -5.945 11.684 1.00 1.00 H new ATOM 0 HG2 GLU A 44 63.987 -7.795 12.512 1.00 1.00 H new ATOM 0 HG3 GLU A 44 63.055 -6.424 13.081 1.00 1.00 H new ATOM 513 N GLU A 45 64.839 -3.611 9.381 1.00 1.00 N ATOM 514 CA GLU A 45 65.803 -2.680 8.770 1.00 1.00 C ATOM 515 C GLU A 45 65.276 -2.206 7.417 1.00 1.00 C ATOM 516 O GLU A 45 65.253 -2.969 6.455 1.00 1.00 O ATOM 517 CB GLU A 45 67.154 -3.371 8.588 1.00 1.00 C ATOM 518 CG GLU A 45 67.756 -3.701 9.958 1.00 1.00 C ATOM 519 CD GLU A 45 69.078 -4.441 9.779 1.00 1.00 C ATOM 520 OE1 GLU A 45 69.472 -4.641 8.643 1.00 1.00 O ATOM 521 OE2 GLU A 45 69.675 -4.796 10.781 1.00 1.00 O ATOM 0 H GLU A 45 64.383 -4.242 8.722 1.00 1.00 H new ATOM 0 HA GLU A 45 65.932 -1.819 9.426 1.00 1.00 H new ATOM 0 HB2 GLU A 45 67.030 -4.284 8.005 1.00 1.00 H new ATOM 0 HB3 GLU A 45 67.831 -2.725 8.029 1.00 1.00 H new ATOM 0 HG2 GLU A 45 67.916 -2.784 10.525 1.00 1.00 H new ATOM 0 HG3 GLU A 45 67.061 -4.314 10.532 1.00 1.00 H new ATOM 528 N LEU A 46 64.822 -0.951 7.362 1.00 1.00 N ATOM 529 CA LEU A 46 64.254 -0.410 6.124 1.00 1.00 C ATOM 530 C LEU A 46 65.279 -0.157 5.016 1.00 1.00 C ATOM 531 O LEU A 46 65.131 -0.675 3.914 1.00 1.00 O ATOM 532 CB LEU A 46 63.495 0.907 6.419 1.00 1.00 C ATOM 533 CG LEU A 46 64.217 1.703 7.536 1.00 1.00 C ATOM 534 CD1 LEU A 46 64.029 3.212 7.318 1.00 1.00 C ATOM 535 CD2 LEU A 46 63.650 1.319 8.914 1.00 1.00 C ATOM 0 H LEU A 46 64.836 -0.299 8.147 1.00 1.00 H new ATOM 0 HA LEU A 46 63.578 -1.181 5.753 1.00 1.00 H new ATOM 0 HB2 LEU A 46 63.434 1.511 5.514 1.00 1.00 H new ATOM 0 HB3 LEU A 46 62.472 0.685 6.724 1.00 1.00 H new ATOM 0 HG LEU A 46 65.279 1.460 7.499 1.00 1.00 H new ATOM 0 HD11 LEU A 46 64.541 3.760 8.109 1.00 1.00 H new ATOM 0 HD12 LEU A 46 64.447 3.495 6.352 1.00 1.00 H new ATOM 0 HD13 LEU A 46 62.966 3.453 7.338 1.00 1.00 H new ATOM 0 HD21 LEU A 46 64.165 1.885 9.690 1.00 1.00 H new ATOM 0 HD22 LEU A 46 62.585 1.547 8.945 1.00 1.00 H new ATOM 0 HD23 LEU A 46 63.798 0.253 9.084 1.00 1.00 H new ATOM 547 N VAL A 47 66.282 0.668 5.286 1.00 1.00 N ATOM 548 CA VAL A 47 67.271 1.001 4.263 1.00 1.00 C ATOM 549 C VAL A 47 68.262 -0.135 3.987 1.00 1.00 C ATOM 550 O VAL A 47 68.745 -0.277 2.864 1.00 1.00 O ATOM 551 CB VAL A 47 68.039 2.264 4.663 1.00 1.00 C ATOM 552 CG1 VAL A 47 67.050 3.388 4.996 1.00 1.00 C ATOM 553 CG2 VAL A 47 68.906 1.963 5.892 1.00 1.00 C ATOM 0 H VAL A 47 66.434 1.115 6.190 1.00 1.00 H new ATOM 0 HA VAL A 47 66.715 1.171 3.341 1.00 1.00 H new ATOM 0 HB VAL A 47 68.674 2.579 3.835 1.00 1.00 H new ATOM 0 HG11 VAL A 47 67.601 4.285 5.280 1.00 1.00 H new ATOM 0 HG12 VAL A 47 66.434 3.602 4.122 1.00 1.00 H new ATOM 0 HG13 VAL A 47 66.411 3.077 5.823 1.00 1.00 H new ATOM 0 HG21 VAL A 47 69.454 2.860 6.179 1.00 1.00 H new ATOM 0 HG22 VAL A 47 68.269 1.647 6.718 1.00 1.00 H new ATOM 0 HG23 VAL A 47 69.612 1.168 5.653 1.00 1.00 H new ATOM 563 N GLN A 48 68.601 -0.917 5.010 1.00 1.00 N ATOM 564 CA GLN A 48 69.584 -1.987 4.819 1.00 1.00 C ATOM 565 C GLN A 48 69.133 -3.019 3.779 1.00 1.00 C ATOM 566 O GLN A 48 69.857 -3.287 2.821 1.00 1.00 O ATOM 567 CB GLN A 48 69.859 -2.708 6.168 1.00 1.00 C ATOM 568 CG GLN A 48 71.301 -3.270 6.229 1.00 1.00 C ATOM 569 CD GLN A 48 71.715 -3.838 4.872 1.00 1.00 C ATOM 570 OE1 GLN A 48 72.230 -3.111 4.024 1.00 1.00 O ATOM 571 NE2 GLN A 48 71.512 -5.102 4.617 1.00 1.00 N ATOM 0 H GLN A 48 68.224 -0.837 5.954 1.00 1.00 H new ATOM 0 HA GLN A 48 70.495 -1.516 4.449 1.00 1.00 H new ATOM 0 HB2 GLN A 48 69.704 -2.011 6.992 1.00 1.00 H new ATOM 0 HB3 GLN A 48 69.145 -3.521 6.299 1.00 1.00 H new ATOM 0 HG2 GLN A 48 71.992 -2.481 6.525 1.00 1.00 H new ATOM 0 HG3 GLN A 48 71.362 -4.049 6.989 1.00 1.00 H new ATOM 0 HE21 GLN A 48 71.085 -5.702 5.322 1.00 1.00 H new ATOM 0 HE22 GLN A 48 71.781 -5.489 3.712 1.00 1.00 H new ATOM 580 N LYS A 49 67.949 -3.594 3.974 1.00 1.00 N ATOM 581 CA LYS A 49 67.438 -4.598 3.042 1.00 1.00 C ATOM 582 C LYS A 49 67.103 -3.974 1.712 1.00 1.00 C ATOM 583 O LYS A 49 67.399 -4.528 0.655 1.00 1.00 O ATOM 584 CB LYS A 49 66.204 -5.298 3.651 1.00 1.00 C ATOM 585 CG LYS A 49 65.343 -6.049 2.566 1.00 1.00 C ATOM 586 CD LYS A 49 64.857 -7.418 3.112 1.00 1.00 C ATOM 587 CE LYS A 49 63.936 -8.148 2.099 1.00 1.00 C ATOM 588 NZ LYS A 49 62.887 -7.208 1.616 1.00 1.00 N ATOM 0 H LYS A 49 67.331 -3.386 4.759 1.00 1.00 H new ATOM 0 HA LYS A 49 68.213 -5.345 2.870 1.00 1.00 H new ATOM 0 HB2 LYS A 49 66.531 -6.010 4.408 1.00 1.00 H new ATOM 0 HB3 LYS A 49 65.583 -4.558 4.156 1.00 1.00 H new ATOM 0 HG2 LYS A 49 64.486 -5.437 2.286 1.00 1.00 H new ATOM 0 HG3 LYS A 49 65.935 -6.200 1.663 1.00 1.00 H new ATOM 0 HD2 LYS A 49 65.719 -8.046 3.338 1.00 1.00 H new ATOM 0 HD3 LYS A 49 64.319 -7.266 4.048 1.00 1.00 H new ATOM 0 HE2 LYS A 49 64.523 -8.518 1.258 1.00 1.00 H new ATOM 0 HE3 LYS A 49 63.473 -9.015 2.571 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 62.354 -7.651 0.840 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 62.238 -6.981 2.396 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 63.335 -6.334 1.274 1.00 1.00 H new ATOM 602 N TYR A 50 66.479 -2.828 1.785 1.00 1.00 N ATOM 603 CA TYR A 50 66.084 -2.109 0.606 1.00 1.00 C ATOM 604 C TYR A 50 67.291 -1.855 -0.299 1.00 1.00 C ATOM 605 O TYR A 50 67.258 -2.161 -1.490 1.00 1.00 O ATOM 606 CB TYR A 50 65.470 -0.805 1.096 1.00 1.00 C ATOM 607 CG TYR A 50 65.360 0.207 -0.016 1.00 1.00 C ATOM 608 CD1 TYR A 50 64.460 -0.004 -1.066 1.00 1.00 C ATOM 609 CD2 TYR A 50 66.147 1.364 0.012 1.00 1.00 C ATOM 610 CE1 TYR A 50 64.348 0.940 -2.090 1.00 1.00 C ATOM 611 CE2 TYR A 50 66.039 2.308 -1.009 1.00 1.00 C ATOM 612 CZ TYR A 50 65.138 2.097 -2.065 1.00 1.00 C ATOM 613 OH TYR A 50 65.027 3.029 -3.076 1.00 1.00 O ATOM 0 H TYR A 50 66.231 -2.369 2.662 1.00 1.00 H new ATOM 0 HA TYR A 50 65.368 -2.674 0.009 1.00 1.00 H new ATOM 0 HB2 TYR A 50 64.481 -1.001 1.510 1.00 1.00 H new ATOM 0 HB3 TYR A 50 66.078 -0.396 1.903 1.00 1.00 H new ATOM 0 HD1 TYR A 50 63.852 -0.896 -1.085 1.00 1.00 H new ATOM 0 HD2 TYR A 50 66.839 1.526 0.825 1.00 1.00 H new ATOM 0 HE1 TYR A 50 63.653 0.778 -2.900 1.00 1.00 H new ATOM 0 HE2 TYR A 50 66.648 3.200 -0.987 1.00 1.00 H new ATOM 0 HH TYR A 50 65.644 3.771 -2.906 1.00 1.00 H new ATOM 623 N SER A 51 68.352 -1.305 0.276 1.00 1.00 N ATOM 624 CA SER A 51 69.565 -1.028 -0.487 1.00 1.00 C ATOM 625 C SER A 51 70.322 -2.317 -0.825 1.00 1.00 C ATOM 626 O SER A 51 70.848 -2.469 -1.928 1.00 1.00 O ATOM 627 CB SER A 51 70.480 -0.090 0.317 1.00 1.00 C ATOM 628 OG SER A 51 70.805 -0.700 1.560 1.00 1.00 O ATOM 0 H SER A 51 68.399 -1.043 1.261 1.00 1.00 H new ATOM 0 HA SER A 51 69.272 -0.551 -1.422 1.00 1.00 H new ATOM 0 HB2 SER A 51 71.389 0.120 -0.246 1.00 1.00 H new ATOM 0 HB3 SER A 51 69.982 0.865 0.487 1.00 1.00 H new ATOM 0 HG SER A 51 70.235 -0.329 2.266 1.00 1.00 H new ATOM 634 N ASN A 52 70.414 -3.223 0.151 1.00 1.00 N ATOM 635 CA ASN A 52 71.159 -4.475 -0.036 1.00 1.00 C ATOM 636 C ASN A 52 70.352 -5.603 -0.686 1.00 1.00 C ATOM 637 O ASN A 52 70.659 -6.031 -1.799 1.00 1.00 O ATOM 638 CB ASN A 52 71.679 -4.952 1.326 1.00 1.00 C ATOM 639 CG ASN A 52 72.871 -5.889 1.133 1.00 1.00 C ATOM 640 OD1 ASN A 52 73.035 -6.465 0.058 1.00 1.00 O ATOM 641 ND2 ASN A 52 73.713 -6.077 2.111 1.00 1.00 N ATOM 0 H ASN A 52 69.987 -3.117 1.071 1.00 1.00 H new ATOM 0 HA ASN A 52 71.971 -4.247 -0.726 1.00 1.00 H new ATOM 0 HB2 ASN A 52 71.974 -4.095 1.932 1.00 1.00 H new ATOM 0 HB3 ASN A 52 70.885 -5.467 1.867 1.00 1.00 H new ATOM 0 HD21 ASN A 52 74.509 -6.702 1.986 1.00 1.00 H new ATOM 0 HD22 ASN A 52 73.576 -5.599 3.001 1.00 1.00 H new ATOM 648 N SER A 53 69.348 -6.107 0.020 1.00 1.00 N ATOM 649 CA SER A 53 68.546 -7.216 -0.501 1.00 1.00 C ATOM 650 C SER A 53 67.592 -6.755 -1.609 1.00 1.00 C ATOM 651 O SER A 53 66.464 -7.239 -1.722 1.00 1.00 O ATOM 652 CB SER A 53 67.795 -7.900 0.656 1.00 1.00 C ATOM 653 OG SER A 53 68.328 -9.204 0.847 1.00 1.00 O ATOM 0 H SER A 53 69.069 -5.774 0.943 1.00 1.00 H new ATOM 0 HA SER A 53 69.215 -7.946 -0.958 1.00 1.00 H new ATOM 0 HB2 SER A 53 67.897 -7.314 1.569 1.00 1.00 H new ATOM 0 HB3 SER A 53 66.730 -7.958 0.432 1.00 1.00 H new ATOM 0 HG SER A 53 67.856 -9.646 1.584 1.00 1.00 H new ATOM 659 N ALA A 54 68.060 -5.832 -2.437 1.00 1.00 N ATOM 660 CA ALA A 54 67.253 -5.331 -3.542 1.00 1.00 C ATOM 661 C ALA A 54 66.965 -6.450 -4.533 1.00 1.00 C ATOM 662 O ALA A 54 65.961 -6.429 -5.243 1.00 1.00 O ATOM 663 CB ALA A 54 67.984 -4.203 -4.249 1.00 1.00 C ATOM 0 H ALA A 54 68.989 -5.416 -2.366 1.00 1.00 H new ATOM 0 HA ALA A 54 66.310 -4.956 -3.143 1.00 1.00 H new ATOM 0 HB1 ALA A 54 67.374 -3.834 -5.074 1.00 1.00 H new ATOM 0 HB2 ALA A 54 68.170 -3.392 -3.545 1.00 1.00 H new ATOM 0 HB3 ALA A 54 68.934 -4.572 -4.637 1.00 1.00 H new ATOM 669 N LEU A 55 67.874 -7.420 -4.574 1.00 1.00 N ATOM 670 CA LEU A 55 67.748 -8.560 -5.484 1.00 1.00 C ATOM 671 C LEU A 55 66.917 -9.672 -4.851 1.00 1.00 C ATOM 672 O LEU A 55 66.656 -10.697 -5.483 1.00 1.00 O ATOM 673 CB LEU A 55 69.141 -9.083 -5.889 1.00 1.00 C ATOM 674 CG LEU A 55 69.996 -9.375 -4.642 1.00 1.00 C ATOM 675 CD1 LEU A 55 69.455 -10.617 -3.903 1.00 1.00 C ATOM 676 CD2 LEU A 55 71.458 -9.636 -5.060 1.00 1.00 C ATOM 0 H LEU A 55 68.708 -7.441 -3.987 1.00 1.00 H new ATOM 0 HA LEU A 55 67.231 -8.224 -6.383 1.00 1.00 H new ATOM 0 HB2 LEU A 55 69.036 -9.990 -6.484 1.00 1.00 H new ATOM 0 HB3 LEU A 55 69.643 -8.347 -6.516 1.00 1.00 H new ATOM 0 HG LEU A 55 69.950 -8.511 -3.979 1.00 1.00 H new ATOM 0 HD11 LEU A 55 70.068 -10.813 -3.023 1.00 1.00 H new ATOM 0 HD12 LEU A 55 68.425 -10.437 -3.595 1.00 1.00 H new ATOM 0 HD13 LEU A 55 69.489 -11.480 -4.568 1.00 1.00 H new ATOM 0 HD21 LEU A 55 72.059 -9.842 -4.174 1.00 1.00 H new ATOM 0 HD22 LEU A 55 71.497 -10.493 -5.732 1.00 1.00 H new ATOM 0 HD23 LEU A 55 71.853 -8.757 -5.570 1.00 1.00 H new ATOM 688 N GLY A 56 66.507 -9.472 -3.595 1.00 1.00 N ATOM 689 CA GLY A 56 65.710 -10.475 -2.876 1.00 1.00 C ATOM 690 C GLY A 56 64.377 -9.907 -2.380 1.00 1.00 C ATOM 691 O GLY A 56 63.535 -10.650 -1.876 1.00 1.00 O ATOM 0 H GLY A 56 66.711 -8.630 -3.056 1.00 1.00 H new ATOM 0 HA2 GLY A 56 65.520 -11.324 -3.533 1.00 1.00 H new ATOM 0 HA3 GLY A 56 66.281 -10.850 -2.027 1.00 1.00 H new ATOM 695 N HIS A 57 64.186 -8.591 -2.517 1.00 1.00 N ATOM 696 CA HIS A 57 62.944 -7.946 -2.064 1.00 1.00 C ATOM 697 C HIS A 57 61.970 -7.749 -3.218 1.00 1.00 C ATOM 698 O HIS A 57 60.793 -7.462 -3.003 1.00 1.00 O ATOM 699 CB HIS A 57 63.272 -6.577 -1.439 1.00 1.00 C ATOM 700 CG HIS A 57 63.613 -5.559 -2.497 1.00 1.00 C ATOM 701 ND1 HIS A 57 63.802 -5.898 -3.826 1.00 1.00 N ATOM 702 CD2 HIS A 57 63.806 -4.203 -2.425 1.00 1.00 C ATOM 703 CE1 HIS A 57 64.098 -4.768 -4.495 1.00 1.00 C ATOM 704 NE2 HIS A 57 64.115 -3.705 -3.689 1.00 1.00 N ATOM 0 H HIS A 57 64.866 -7.955 -2.933 1.00 1.00 H new ATOM 0 HA HIS A 57 62.476 -8.596 -1.324 1.00 1.00 H new ATOM 0 HB2 HIS A 57 62.420 -6.227 -0.856 1.00 1.00 H new ATOM 0 HB3 HIS A 57 64.109 -6.681 -0.749 1.00 1.00 H new ATOM 0 HD2 HIS A 57 63.730 -3.611 -1.525 1.00 1.00 H new ATOM 0 HE1 HIS A 57 64.298 -4.727 -5.556 1.00 1.00 H new ATOM 0 HE2 HIS A 57 64.312 -2.737 -3.943 1.00 1.00 H new ATOM 712 N VAL A 58 62.475 -7.858 -4.440 1.00 1.00 N ATOM 713 CA VAL A 58 61.642 -7.640 -5.610 1.00 1.00 C ATOM 714 C VAL A 58 60.719 -8.818 -5.918 1.00 1.00 C ATOM 715 O VAL A 58 59.504 -8.636 -5.988 1.00 1.00 O ATOM 716 CB VAL A 58 62.527 -7.307 -6.816 1.00 1.00 C ATOM 717 CG1 VAL A 58 63.258 -8.557 -7.310 1.00 1.00 C ATOM 718 CG2 VAL A 58 61.653 -6.737 -7.929 1.00 1.00 C ATOM 0 H VAL A 58 63.446 -8.093 -4.643 1.00 1.00 H new ATOM 0 HA VAL A 58 60.987 -6.797 -5.391 1.00 1.00 H new ATOM 0 HB VAL A 58 63.276 -6.572 -6.521 1.00 1.00 H new ATOM 0 HG11 VAL A 58 63.881 -8.300 -8.167 1.00 1.00 H new ATOM 0 HG12 VAL A 58 63.885 -8.951 -6.511 1.00 1.00 H new ATOM 0 HG13 VAL A 58 62.529 -9.312 -7.605 1.00 1.00 H new ATOM 0 HG21 VAL A 58 62.274 -6.497 -8.792 1.00 1.00 H new ATOM 0 HG22 VAL A 58 60.902 -7.474 -8.216 1.00 1.00 H new ATOM 0 HG23 VAL A 58 61.157 -5.833 -7.576 1.00 1.00 H new ATOM 728 N ASN A 59 61.267 -10.016 -6.125 1.00 1.00 N ATOM 729 CA ASN A 59 60.414 -11.156 -6.445 1.00 1.00 C ATOM 730 C ASN A 59 59.606 -11.614 -5.247 1.00 1.00 C ATOM 731 O ASN A 59 58.445 -11.995 -5.385 1.00 1.00 O ATOM 732 CB ASN A 59 61.213 -12.330 -6.990 1.00 1.00 C ATOM 733 CG ASN A 59 62.362 -12.672 -6.046 1.00 1.00 C ATOM 734 OD1 ASN A 59 62.415 -12.174 -4.923 1.00 1.00 O ATOM 735 ND2 ASN A 59 63.293 -13.496 -6.441 1.00 1.00 N ATOM 0 H ASN A 59 62.266 -10.218 -6.079 1.00 1.00 H new ATOM 0 HA ASN A 59 59.729 -10.808 -7.218 1.00 1.00 H new ATOM 0 HB2 ASN A 59 60.563 -13.196 -7.111 1.00 1.00 H new ATOM 0 HB3 ASN A 59 61.605 -12.085 -7.977 1.00 1.00 H new ATOM 0 HD21 ASN A 59 64.067 -13.728 -5.818 1.00 1.00 H new ATOM 0 HD22 ASN A 59 63.247 -13.908 -7.373 1.00 1.00 H new ATOM 742 N SER A 60 60.220 -11.592 -4.070 1.00 1.00 N ATOM 743 CA SER A 60 59.522 -12.027 -2.873 1.00 1.00 C ATOM 744 C SER A 60 58.175 -11.335 -2.809 1.00 1.00 C ATOM 745 O SER A 60 57.182 -11.910 -2.390 1.00 1.00 O ATOM 746 CB SER A 60 60.341 -11.685 -1.628 1.00 1.00 C ATOM 747 OG SER A 60 61.619 -12.303 -1.721 1.00 1.00 O ATOM 0 H SER A 60 61.181 -11.284 -3.922 1.00 1.00 H new ATOM 0 HA SER A 60 59.381 -13.107 -2.909 1.00 1.00 H new ATOM 0 HB2 SER A 60 60.453 -10.604 -1.538 1.00 1.00 H new ATOM 0 HB3 SER A 60 59.823 -12.028 -0.732 1.00 1.00 H new ATOM 0 HG SER A 60 62.253 -11.682 -2.136 1.00 1.00 H new ATOM 753 N THR A 61 58.147 -10.095 -3.251 1.00 1.00 N ATOM 754 CA THR A 61 56.911 -9.342 -3.252 1.00 1.00 C ATOM 755 C THR A 61 55.890 -9.955 -4.202 1.00 1.00 C ATOM 756 O THR A 61 54.726 -10.127 -3.848 1.00 1.00 O ATOM 757 CB THR A 61 57.196 -7.904 -3.682 1.00 1.00 C ATOM 758 OG1 THR A 61 58.285 -7.398 -2.922 1.00 1.00 O ATOM 759 CG2 THR A 61 55.958 -7.040 -3.442 1.00 1.00 C ATOM 0 H THR A 61 58.958 -9.591 -3.611 1.00 1.00 H new ATOM 0 HA THR A 61 56.498 -9.363 -2.243 1.00 1.00 H new ATOM 0 HB THR A 61 57.447 -7.882 -4.743 1.00 1.00 H new ATOM 0 HG1 THR A 61 59.110 -7.467 -3.446 1.00 1.00 H new ATOM 0 HG21 THR A 61 56.164 -6.015 -3.750 1.00 1.00 H new ATOM 0 HG22 THR A 61 55.123 -7.432 -4.022 1.00 1.00 H new ATOM 0 HG23 THR A 61 55.703 -7.056 -2.382 1.00 1.00 H new ATOM 767 N ILE A 62 56.323 -10.253 -5.420 1.00 1.00 N ATOM 768 CA ILE A 62 55.420 -10.810 -6.418 1.00 1.00 C ATOM 769 C ILE A 62 55.029 -12.233 -6.073 1.00 1.00 C ATOM 770 O ILE A 62 54.008 -12.730 -6.542 1.00 1.00 O ATOM 771 CB ILE A 62 56.042 -10.770 -7.810 1.00 1.00 C ATOM 772 CG1 ILE A 62 56.682 -9.385 -8.044 1.00 1.00 C ATOM 773 CG2 ILE A 62 54.952 -11.007 -8.864 1.00 1.00 C ATOM 774 CD1 ILE A 62 57.667 -9.447 -9.199 1.00 1.00 C ATOM 0 H ILE A 62 57.283 -10.120 -5.738 1.00 1.00 H new ATOM 0 HA ILE A 62 54.522 -10.192 -6.418 1.00 1.00 H new ATOM 0 HB ILE A 62 56.803 -11.546 -7.890 1.00 1.00 H new ATOM 0 HG12 ILE A 62 55.906 -8.650 -8.258 1.00 1.00 H new ATOM 0 HG13 ILE A 62 57.193 -9.055 -7.139 1.00 1.00 H new ATOM 0 HG21 ILE A 62 55.396 -10.979 -9.859 1.00 1.00 H new ATOM 0 HG22 ILE A 62 54.492 -11.982 -8.699 1.00 1.00 H new ATOM 0 HG23 ILE A 62 54.192 -10.229 -8.783 1.00 1.00 H new ATOM 0 HD11 ILE A 62 58.110 -8.463 -9.352 1.00 1.00 H new ATOM 0 HD12 ILE A 62 58.452 -10.167 -8.969 1.00 1.00 H new ATOM 0 HD13 ILE A 62 57.146 -9.755 -10.105 1.00 1.00 H new ATOM 786 N LYS A 63 55.860 -12.906 -5.294 1.00 1.00 N ATOM 787 CA LYS A 63 55.584 -14.284 -4.921 1.00 1.00 C ATOM 788 C LYS A 63 54.435 -14.411 -3.893 1.00 1.00 C ATOM 789 O LYS A 63 53.463 -15.120 -4.126 1.00 1.00 O ATOM 790 CB LYS A 63 56.880 -14.929 -4.346 1.00 1.00 C ATOM 791 CG LYS A 63 57.770 -15.457 -5.493 1.00 1.00 C ATOM 792 CD LYS A 63 57.321 -16.870 -5.893 1.00 1.00 C ATOM 793 CE LYS A 63 58.200 -17.394 -7.029 1.00 1.00 C ATOM 794 NZ LYS A 63 57.766 -18.774 -7.387 1.00 1.00 N ATOM 0 H LYS A 63 56.725 -12.525 -4.910 1.00 1.00 H new ATOM 0 HA LYS A 63 55.261 -14.807 -5.821 1.00 1.00 H new ATOM 0 HB2 LYS A 63 57.430 -14.194 -3.758 1.00 1.00 H new ATOM 0 HB3 LYS A 63 56.620 -15.746 -3.673 1.00 1.00 H new ATOM 0 HG2 LYS A 63 57.706 -14.789 -6.352 1.00 1.00 H new ATOM 0 HG3 LYS A 63 58.813 -15.473 -5.178 1.00 1.00 H new ATOM 0 HD2 LYS A 63 57.385 -17.538 -5.034 1.00 1.00 H new ATOM 0 HD3 LYS A 63 56.277 -16.854 -6.207 1.00 1.00 H new ATOM 0 HE2 LYS A 63 58.123 -16.739 -7.897 1.00 1.00 H new ATOM 0 HE3 LYS A 63 59.246 -17.397 -6.724 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 58.361 -19.136 -8.160 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 57.861 -19.394 -6.558 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 56.773 -18.757 -7.694 1.00 1.00 H new ATOM 808 N GLU A 64 54.619 -13.773 -2.729 1.00 1.00 N ATOM 809 CA GLU A 64 53.660 -13.850 -1.604 1.00 1.00 C ATOM 810 C GLU A 64 52.423 -12.931 -1.702 1.00 1.00 C ATOM 811 O GLU A 64 51.441 -13.170 -1.003 1.00 1.00 O ATOM 812 CB GLU A 64 54.389 -13.582 -0.270 1.00 1.00 C ATOM 813 CG GLU A 64 55.837 -14.074 -0.351 1.00 1.00 C ATOM 814 CD GLU A 64 55.870 -15.568 -0.661 1.00 1.00 C ATOM 815 OE1 GLU A 64 54.855 -16.217 -0.465 1.00 1.00 O ATOM 816 OE2 GLU A 64 56.908 -16.043 -1.092 1.00 1.00 O ATOM 0 H GLU A 64 55.432 -13.189 -2.535 1.00 1.00 H new ATOM 0 HA GLU A 64 53.266 -14.865 -1.654 1.00 1.00 H new ATOM 0 HB2 GLU A 64 54.372 -12.516 -0.045 1.00 1.00 H new ATOM 0 HB3 GLU A 64 53.870 -14.088 0.544 1.00 1.00 H new ATOM 0 HG2 GLU A 64 56.373 -13.523 -1.124 1.00 1.00 H new ATOM 0 HG3 GLU A 64 56.348 -13.880 0.592 1.00 1.00 H new ATOM 823 N LEU A 65 52.497 -11.844 -2.472 1.00 1.00 N ATOM 824 CA LEU A 65 51.373 -10.882 -2.536 1.00 1.00 C ATOM 825 C LEU A 65 49.993 -11.556 -2.467 1.00 1.00 C ATOM 826 O LEU A 65 49.002 -10.907 -2.129 1.00 1.00 O ATOM 827 CB LEU A 65 51.475 -9.982 -3.785 1.00 1.00 C ATOM 828 CG LEU A 65 51.119 -10.749 -5.080 1.00 1.00 C ATOM 829 CD1 LEU A 65 51.831 -12.098 -5.095 1.00 1.00 C ATOM 830 CD2 LEU A 65 49.576 -10.957 -5.206 1.00 1.00 C ATOM 0 H LEU A 65 53.301 -11.602 -3.052 1.00 1.00 H new ATOM 0 HA LEU A 65 51.462 -10.259 -1.646 1.00 1.00 H new ATOM 0 HB2 LEU A 65 50.806 -9.129 -3.673 1.00 1.00 H new ATOM 0 HB3 LEU A 65 52.487 -9.585 -3.865 1.00 1.00 H new ATOM 0 HG LEU A 65 51.451 -10.154 -5.931 1.00 1.00 H new ATOM 0 HD11 LEU A 65 51.576 -12.634 -6.010 1.00 1.00 H new ATOM 0 HD12 LEU A 65 52.909 -11.941 -5.055 1.00 1.00 H new ATOM 0 HD13 LEU A 65 51.517 -12.685 -4.232 1.00 1.00 H new ATOM 0 HD21 LEU A 65 49.356 -11.499 -6.126 1.00 1.00 H new ATOM 0 HD22 LEU A 65 49.215 -11.530 -4.352 1.00 1.00 H new ATOM 0 HD23 LEU A 65 49.079 -9.987 -5.228 1.00 1.00 H new ATOM 842 N ARG A 66 49.926 -12.845 -2.769 1.00 1.00 N ATOM 843 CA ARG A 66 48.665 -13.570 -2.713 1.00 1.00 C ATOM 844 C ARG A 66 48.238 -13.747 -1.262 1.00 1.00 C ATOM 845 O ARG A 66 47.062 -13.627 -0.922 1.00 1.00 O ATOM 846 CB ARG A 66 48.816 -14.940 -3.397 1.00 1.00 C ATOM 847 CG ARG A 66 50.200 -15.522 -3.097 1.00 1.00 C ATOM 848 CD ARG A 66 50.247 -16.989 -3.542 1.00 1.00 C ATOM 849 NE ARG A 66 51.555 -17.570 -3.241 1.00 1.00 N ATOM 850 CZ ARG A 66 52.554 -17.534 -4.124 1.00 1.00 C ATOM 851 NH1 ARG A 66 52.375 -16.976 -5.291 1.00 1.00 N ATOM 852 NH2 ARG A 66 53.713 -18.052 -3.821 1.00 1.00 N ATOM 0 H ARG A 66 50.727 -13.408 -3.054 1.00 1.00 H new ATOM 0 HA ARG A 66 47.899 -13.000 -3.239 1.00 1.00 H new ATOM 0 HB2 ARG A 66 48.041 -15.620 -3.043 1.00 1.00 H new ATOM 0 HB3 ARG A 66 48.681 -14.836 -4.474 1.00 1.00 H new ATOM 0 HG2 ARG A 66 50.968 -14.949 -3.617 1.00 1.00 H new ATOM 0 HG3 ARG A 66 50.414 -15.448 -2.031 1.00 1.00 H new ATOM 0 HD2 ARG A 66 49.465 -17.555 -3.035 1.00 1.00 H new ATOM 0 HD3 ARG A 66 50.048 -17.058 -4.612 1.00 1.00 H new ATOM 0 HE ARG A 66 51.707 -18.013 -2.335 1.00 1.00 H new ATOM 0 HH11 ARG A 66 51.471 -16.567 -5.528 1.00 1.00 H new ATOM 0 HH12 ARG A 66 53.139 -16.949 -5.966 1.00 1.00 H new ATOM 0 HH21 ARG A 66 53.855 -18.485 -2.908 1.00 1.00 H new ATOM 0 HH22 ARG A 66 54.476 -18.024 -4.497 1.00 1.00 H new ATOM 866 N ARG A 67 49.226 -14.041 -0.432 1.00 1.00 N ATOM 867 CA ARG A 67 49.025 -14.258 0.994 1.00 1.00 C ATOM 868 C ARG A 67 48.744 -12.962 1.736 1.00 1.00 C ATOM 869 O ARG A 67 48.163 -12.986 2.818 1.00 1.00 O ATOM 870 CB ARG A 67 50.277 -14.916 1.579 1.00 1.00 C ATOM 871 CG ARG A 67 50.330 -16.391 1.156 1.00 1.00 C ATOM 872 CD ARG A 67 51.622 -17.036 1.673 1.00 1.00 C ATOM 873 NE ARG A 67 51.650 -18.454 1.324 1.00 1.00 N ATOM 874 CZ ARG A 67 52.129 -18.872 0.155 1.00 1.00 C ATOM 875 NH1 ARG A 67 52.586 -18.009 -0.711 1.00 1.00 N ATOM 876 NH2 ARG A 67 52.140 -20.145 -0.128 1.00 1.00 N ATOM 0 H ARG A 67 50.197 -14.137 -0.730 1.00 1.00 H new ATOM 0 HA ARG A 67 48.155 -14.903 1.117 1.00 1.00 H new ATOM 0 HB2 ARG A 67 51.170 -14.395 1.232 1.00 1.00 H new ATOM 0 HB3 ARG A 67 50.266 -14.839 2.666 1.00 1.00 H new ATOM 0 HG2 ARG A 67 49.464 -16.923 1.551 1.00 1.00 H new ATOM 0 HG3 ARG A 67 50.284 -16.469 0.070 1.00 1.00 H new ATOM 0 HD2 ARG A 67 52.487 -16.531 1.243 1.00 1.00 H new ATOM 0 HD3 ARG A 67 51.689 -16.918 2.755 1.00 1.00 H new ATOM 0 HE ARG A 67 51.295 -19.139 1.991 1.00 1.00 H new ATOM 0 HH11 ARG A 67 52.576 -17.013 -0.492 1.00 1.00 H new ATOM 0 HH12 ARG A 67 52.953 -18.331 -1.607 1.00 1.00 H new ATOM 0 HH21 ARG A 67 51.781 -20.821 0.547 1.00 1.00 H new ATOM 0 HH22 ARG A 67 52.507 -20.465 -1.024 1.00 1.00 H new ATOM 890 N LEU A 68 49.190 -11.841 1.181 1.00 1.00 N ATOM 891 CA LEU A 68 49.007 -10.560 1.855 1.00 1.00 C ATOM 892 C LEU A 68 47.535 -10.290 2.102 1.00 1.00 C ATOM 893 O LEU A 68 47.152 -9.835 3.179 1.00 1.00 O ATOM 894 CB LEU A 68 49.599 -9.416 1.013 1.00 1.00 C ATOM 895 CG LEU A 68 49.481 -8.077 1.772 1.00 1.00 C ATOM 896 CD1 LEU A 68 50.404 -8.076 3.022 1.00 1.00 C ATOM 897 CD2 LEU A 68 49.866 -6.920 0.820 1.00 1.00 C ATOM 0 H LEU A 68 49.672 -11.791 0.283 1.00 1.00 H new ATOM 0 HA LEU A 68 49.527 -10.609 2.812 1.00 1.00 H new ATOM 0 HB2 LEU A 68 50.645 -9.624 0.789 1.00 1.00 H new ATOM 0 HB3 LEU A 68 49.076 -9.349 0.059 1.00 1.00 H new ATOM 0 HG LEU A 68 48.453 -7.944 2.110 1.00 1.00 H new ATOM 0 HD11 LEU A 68 50.308 -7.124 3.545 1.00 1.00 H new ATOM 0 HD12 LEU A 68 50.114 -8.887 3.689 1.00 1.00 H new ATOM 0 HD13 LEU A 68 51.439 -8.216 2.710 1.00 1.00 H new ATOM 0 HD21 LEU A 68 49.785 -5.971 1.350 1.00 1.00 H new ATOM 0 HD22 LEU A 68 50.891 -7.057 0.476 1.00 1.00 H new ATOM 0 HD23 LEU A 68 49.193 -6.916 -0.038 1.00 1.00 H new ATOM 909 N PHE A 69 46.717 -10.555 1.101 1.00 1.00 N ATOM 910 CA PHE A 69 45.289 -10.316 1.226 1.00 1.00 C ATOM 911 C PHE A 69 44.645 -11.323 2.174 1.00 1.00 C ATOM 912 O PHE A 69 43.780 -10.968 2.973 1.00 1.00 O ATOM 913 CB PHE A 69 44.626 -10.390 -0.151 1.00 1.00 C ATOM 914 CG PHE A 69 45.468 -9.688 -1.206 1.00 1.00 C ATOM 915 CD1 PHE A 69 46.333 -8.622 -0.875 1.00 1.00 C ATOM 916 CD2 PHE A 69 45.374 -10.116 -2.536 1.00 1.00 C ATOM 917 CE1 PHE A 69 47.093 -8.002 -1.877 1.00 1.00 C ATOM 918 CE2 PHE A 69 46.132 -9.495 -3.534 1.00 1.00 C ATOM 919 CZ PHE A 69 46.994 -8.437 -3.208 1.00 1.00 C ATOM 0 H PHE A 69 47.011 -10.932 0.200 1.00 1.00 H new ATOM 0 HA PHE A 69 45.144 -9.319 1.642 1.00 1.00 H new ATOM 0 HB2 PHE A 69 44.482 -11.433 -0.432 1.00 1.00 H new ATOM 0 HB3 PHE A 69 43.638 -9.932 -0.107 1.00 1.00 H new ATOM 0 HD1 PHE A 69 46.409 -8.285 0.148 1.00 1.00 H new ATOM 0 HD2 PHE A 69 44.712 -10.930 -2.793 1.00 1.00 H new ATOM 0 HE1 PHE A 69 47.756 -7.188 -1.624 1.00 1.00 H new ATOM 0 HE2 PHE A 69 46.054 -9.831 -4.558 1.00 1.00 H new ATOM 0 HZ PHE A 69 47.580 -7.959 -3.979 1.00 1.00 H new ATOM 929 N LEU A 70 45.060 -12.579 2.086 1.00 1.00 N ATOM 930 CA LEU A 70 44.496 -13.605 2.953 1.00 1.00 C ATOM 931 C LEU A 70 44.821 -13.327 4.421 1.00 1.00 C ATOM 932 O LEU A 70 43.950 -13.423 5.286 1.00 1.00 O ATOM 933 CB LEU A 70 45.036 -14.991 2.552 1.00 1.00 C ATOM 934 CG LEU A 70 44.515 -16.066 3.529 1.00 1.00 C ATOM 935 CD1 LEU A 70 42.976 -16.049 3.554 1.00 1.00 C ATOM 936 CD2 LEU A 70 45.003 -17.450 3.090 1.00 1.00 C ATOM 0 H LEU A 70 45.773 -12.909 1.435 1.00 1.00 H new ATOM 0 HA LEU A 70 43.413 -13.590 2.834 1.00 1.00 H new ATOM 0 HB2 LEU A 70 44.725 -15.231 1.535 1.00 1.00 H new ATOM 0 HB3 LEU A 70 46.126 -14.981 2.558 1.00 1.00 H new ATOM 0 HG LEU A 70 44.895 -15.849 4.527 1.00 1.00 H new ATOM 0 HD11 LEU A 70 42.615 -16.810 4.246 1.00 1.00 H new ATOM 0 HD12 LEU A 70 42.628 -15.069 3.880 1.00 1.00 H new ATOM 0 HD13 LEU A 70 42.594 -16.256 2.555 1.00 1.00 H new ATOM 0 HD21 LEU A 70 44.632 -18.204 3.784 1.00 1.00 H new ATOM 0 HD22 LEU A 70 44.632 -17.665 2.088 1.00 1.00 H new ATOM 0 HD23 LEU A 70 46.093 -17.467 3.085 1.00 1.00 H new ATOM 948 N VAL A 71 46.079 -12.995 4.695 1.00 1.00 N ATOM 949 CA VAL A 71 46.509 -12.721 6.069 1.00 1.00 C ATOM 950 C VAL A 71 46.092 -11.318 6.528 1.00 1.00 C ATOM 951 O VAL A 71 45.984 -11.063 7.728 1.00 1.00 O ATOM 952 CB VAL A 71 48.033 -12.913 6.207 1.00 1.00 C ATOM 953 CG1 VAL A 71 48.798 -11.723 5.616 1.00 1.00 C ATOM 954 CG2 VAL A 71 48.395 -13.048 7.689 1.00 1.00 C ATOM 0 H VAL A 71 46.815 -12.909 3.994 1.00 1.00 H new ATOM 0 HA VAL A 71 46.007 -13.437 6.720 1.00 1.00 H new ATOM 0 HB VAL A 71 48.313 -13.814 5.661 1.00 1.00 H new ATOM 0 HG11 VAL A 71 49.870 -11.887 5.728 1.00 1.00 H new ATOM 0 HG12 VAL A 71 48.555 -11.623 4.558 1.00 1.00 H new ATOM 0 HG13 VAL A 71 48.514 -10.811 6.141 1.00 1.00 H new ATOM 0 HG21 VAL A 71 49.472 -13.184 7.790 1.00 1.00 H new ATOM 0 HG22 VAL A 71 48.092 -12.146 8.221 1.00 1.00 H new ATOM 0 HG23 VAL A 71 47.879 -13.910 8.112 1.00 1.00 H new ATOM 964 N ASP A 72 45.856 -10.413 5.578 1.00 1.00 N ATOM 965 CA ASP A 72 45.452 -9.057 5.914 1.00 1.00 C ATOM 966 C ASP A 72 46.368 -8.468 6.985 1.00 1.00 C ATOM 967 O ASP A 72 45.906 -8.035 8.040 1.00 1.00 O ATOM 968 CB ASP A 72 44.001 -9.058 6.408 1.00 1.00 C ATOM 969 CG ASP A 72 43.040 -9.238 5.233 1.00 1.00 C ATOM 970 OD1 ASP A 72 43.422 -8.909 4.121 1.00 1.00 O ATOM 971 OD2 ASP A 72 41.931 -9.692 5.464 1.00 1.00 O ATOM 0 H ASP A 72 45.938 -10.597 4.578 1.00 1.00 H new ATOM 0 HA ASP A 72 45.530 -8.439 5.020 1.00 1.00 H new ATOM 0 HB2 ASP A 72 43.856 -9.861 7.131 1.00 1.00 H new ATOM 0 HB3 ASP A 72 43.785 -8.122 6.923 1.00 1.00 H new ATOM 976 N ASP A 73 47.670 -8.452 6.701 1.00 1.00 N ATOM 977 CA ASP A 73 48.659 -7.913 7.639 1.00 1.00 C ATOM 978 C ASP A 73 49.050 -6.504 7.227 1.00 1.00 C ATOM 979 O ASP A 73 50.115 -6.010 7.599 1.00 1.00 O ATOM 980 CB ASP A 73 49.910 -8.801 7.669 1.00 1.00 C ATOM 981 CG ASP A 73 49.630 -10.085 8.448 1.00 1.00 C ATOM 982 OD1 ASP A 73 48.637 -10.124 9.157 1.00 1.00 O ATOM 983 OD2 ASP A 73 50.413 -11.013 8.324 1.00 1.00 O ATOM 0 H ASP A 73 48.066 -8.805 5.830 1.00 1.00 H new ATOM 0 HA ASP A 73 48.215 -7.892 8.634 1.00 1.00 H new ATOM 0 HB2 ASP A 73 50.216 -9.044 6.652 1.00 1.00 H new ATOM 0 HB3 ASP A 73 50.737 -8.261 8.130 1.00 1.00 H new ATOM 988 N LEU A 74 48.185 -5.866 6.453 1.00 1.00 N ATOM 989 CA LEU A 74 48.452 -4.517 5.986 1.00 1.00 C ATOM 990 C LEU A 74 48.589 -3.561 7.175 1.00 1.00 C ATOM 991 O LEU A 74 49.358 -2.610 7.122 1.00 1.00 O ATOM 992 CB LEU A 74 47.329 -4.046 5.067 1.00 1.00 C ATOM 993 CG LEU A 74 47.071 -5.077 3.967 1.00 1.00 C ATOM 994 CD1 LEU A 74 45.869 -4.638 3.127 1.00 1.00 C ATOM 995 CD2 LEU A 74 48.300 -5.193 3.060 1.00 1.00 C ATOM 0 H LEU A 74 47.298 -6.259 6.137 1.00 1.00 H new ATOM 0 HA LEU A 74 49.388 -4.521 5.428 1.00 1.00 H new ATOM 0 HB2 LEU A 74 46.419 -3.888 5.646 1.00 1.00 H new ATOM 0 HB3 LEU A 74 47.594 -3.087 4.621 1.00 1.00 H new ATOM 0 HG LEU A 74 46.868 -6.044 4.428 1.00 1.00 H new ATOM 0 HD11 LEU A 74 45.685 -5.373 2.343 1.00 1.00 H new ATOM 0 HD12 LEU A 74 44.989 -4.560 3.765 1.00 1.00 H new ATOM 0 HD13 LEU A 74 46.076 -3.668 2.674 1.00 1.00 H new ATOM 0 HD21 LEU A 74 48.108 -5.929 2.279 1.00 1.00 H new ATOM 0 HD22 LEU A 74 48.508 -4.225 2.603 1.00 1.00 H new ATOM 0 HD23 LEU A 74 49.160 -5.507 3.651 1.00 1.00 H new ATOM 1007 N VAL A 75 47.846 -3.822 8.248 1.00 1.00 N ATOM 1008 CA VAL A 75 47.912 -2.964 9.437 1.00 1.00 C ATOM 1009 C VAL A 75 49.358 -2.815 9.893 1.00 1.00 C ATOM 1010 O VAL A 75 49.750 -1.774 10.420 1.00 1.00 O ATOM 1011 CB VAL A 75 47.073 -3.566 10.573 1.00 1.00 C ATOM 1012 CG1 VAL A 75 47.776 -4.802 11.148 1.00 1.00 C ATOM 1013 CG2 VAL A 75 46.887 -2.523 11.678 1.00 1.00 C ATOM 0 H VAL A 75 47.199 -4.607 8.323 1.00 1.00 H new ATOM 0 HA VAL A 75 47.513 -1.983 9.181 1.00 1.00 H new ATOM 0 HB VAL A 75 46.100 -3.861 10.180 1.00 1.00 H new ATOM 0 HG11 VAL A 75 47.173 -5.222 11.953 1.00 1.00 H new ATOM 0 HG12 VAL A 75 47.902 -5.547 10.363 1.00 1.00 H new ATOM 0 HG13 VAL A 75 48.753 -4.517 11.537 1.00 1.00 H new ATOM 0 HG21 VAL A 75 46.291 -2.950 12.485 1.00 1.00 H new ATOM 0 HG22 VAL A 75 47.862 -2.225 12.065 1.00 1.00 H new ATOM 0 HG23 VAL A 75 46.376 -1.650 11.272 1.00 1.00 H new ATOM 1023 N ASP A 76 50.141 -3.859 9.684 1.00 1.00 N ATOM 1024 CA ASP A 76 51.541 -3.843 10.070 1.00 1.00 C ATOM 1025 C ASP A 76 52.313 -2.839 9.220 1.00 1.00 C ATOM 1026 O ASP A 76 53.511 -2.633 9.421 1.00 1.00 O ATOM 1027 CB ASP A 76 52.137 -5.240 9.903 1.00 1.00 C ATOM 1028 CG ASP A 76 53.502 -5.315 10.580 1.00 1.00 C ATOM 1029 OD1 ASP A 76 53.780 -4.461 11.405 1.00 1.00 O ATOM 1030 OD2 ASP A 76 54.247 -6.227 10.261 1.00 1.00 O ATOM 0 H ASP A 76 49.831 -4.728 9.249 1.00 1.00 H new ATOM 0 HA ASP A 76 51.617 -3.544 11.115 1.00 1.00 H new ATOM 0 HB2 ASP A 76 51.467 -5.983 10.336 1.00 1.00 H new ATOM 0 HB3 ASP A 76 52.235 -5.477 8.844 1.00 1.00 H new ATOM 1035 N SER A 77 51.620 -2.214 8.271 1.00 1.00 N ATOM 1036 CA SER A 77 52.256 -1.228 7.401 1.00 1.00 C ATOM 1037 C SER A 77 52.695 -0.008 8.200 1.00 1.00 C ATOM 1038 O SER A 77 53.105 1.001 7.628 1.00 1.00 O ATOM 1039 CB SER A 77 51.294 -0.795 6.300 1.00 1.00 C ATOM 1040 OG SER A 77 50.200 -0.094 6.877 1.00 1.00 O ATOM 0 H SER A 77 50.629 -2.370 8.086 1.00 1.00 H new ATOM 0 HA SER A 77 53.134 -1.691 6.951 1.00 1.00 H new ATOM 0 HB2 SER A 77 51.810 -0.158 5.581 1.00 1.00 H new ATOM 0 HB3 SER A 77 50.934 -1.666 5.753 1.00 1.00 H new ATOM 0 HG SER A 77 49.510 -0.733 7.151 1.00 1.00 H new ATOM 1046 N LEU A 78 52.595 -0.114 9.526 1.00 1.00 N ATOM 1047 CA LEU A 78 52.982 0.968 10.418 1.00 1.00 C ATOM 1048 C LEU A 78 52.138 2.202 10.146 1.00 1.00 C ATOM 1049 O LEU A 78 52.661 3.305 9.982 1.00 1.00 O ATOM 1050 CB LEU A 78 54.477 1.285 10.245 1.00 1.00 C ATOM 1051 CG LEU A 78 55.361 0.100 10.747 1.00 1.00 C ATOM 1052 CD1 LEU A 78 55.901 -0.715 9.554 1.00 1.00 C ATOM 1053 CD2 LEU A 78 56.550 0.638 11.559 1.00 1.00 C ATOM 0 H LEU A 78 52.247 -0.945 10.003 1.00 1.00 H new ATOM 0 HA LEU A 78 52.811 0.656 11.448 1.00 1.00 H new ATOM 0 HB2 LEU A 78 54.691 1.484 9.195 1.00 1.00 H new ATOM 0 HB3 LEU A 78 54.727 2.190 10.798 1.00 1.00 H new ATOM 0 HG LEU A 78 54.744 -0.543 11.374 1.00 1.00 H new ATOM 0 HD11 LEU A 78 56.515 -1.537 9.923 1.00 1.00 H new ATOM 0 HD12 LEU A 78 55.066 -1.116 8.979 1.00 1.00 H new ATOM 0 HD13 LEU A 78 56.504 -0.069 8.916 1.00 1.00 H new ATOM 0 HD21 LEU A 78 57.161 -0.196 11.905 1.00 1.00 H new ATOM 0 HD22 LEU A 78 57.153 1.294 10.931 1.00 1.00 H new ATOM 0 HD23 LEU A 78 56.180 1.198 12.418 1.00 1.00 H new ATOM 1065 N LYS A 79 50.820 2.003 10.103 1.00 1.00 N ATOM 1066 CA LYS A 79 49.883 3.105 9.850 1.00 1.00 C ATOM 1067 C LYS A 79 48.841 3.182 10.961 1.00 1.00 C ATOM 1068 O LYS A 79 47.720 2.758 10.728 1.00 1.00 O ATOM 1069 CB LYS A 79 49.181 2.891 8.505 1.00 1.00 C ATOM 1070 CG LYS A 79 50.225 2.752 7.384 1.00 1.00 C ATOM 1071 CD LYS A 79 50.943 4.093 7.159 1.00 1.00 C ATOM 1072 CE LYS A 79 51.607 4.104 5.779 1.00 1.00 C ATOM 1073 NZ LYS A 79 50.572 4.351 4.734 1.00 1.00 N ATOM 1074 OXT LYS A 79 49.178 3.667 12.028 1.00 1.00 O ATOM 0 H LYS A 79 50.376 1.095 10.239 1.00 1.00 H new ATOM 0 HA LYS A 79 50.443 4.040 9.824 1.00 1.00 H new ATOM 0 HB2 LYS A 79 48.560 1.996 8.548 1.00 1.00 H new ATOM 0 HB3 LYS A 79 48.518 3.730 8.294 1.00 1.00 H new ATOM 0 HG2 LYS A 79 50.951 1.982 7.646 1.00 1.00 H new ATOM 0 HG3 LYS A 79 49.739 2.432 6.462 1.00 1.00 H new ATOM 0 HD2 LYS A 79 50.230 4.914 7.236 1.00 1.00 H new ATOM 0 HD3 LYS A 79 51.693 4.248 7.934 1.00 1.00 H new ATOM 0 HE2 LYS A 79 52.373 4.878 5.738 1.00 1.00 H new ATOM 0 HE3 LYS A 79 52.105 3.152 5.595 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 51.036 4.610 3.840 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 50.008 3.489 4.594 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 49.949 5.126 5.039 1.00 1.00 H new TER 1088 LYS A 79