USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 11 ASN : amide:sc= 1.36 K(o=1.6,f=-0.64) USER MOD Set 1.2: A 43 HIS :FLIP no HD1:sc= 0.26 F(o=-0.68,f=1.6) USER MOD Set 2.1: A 33 THR OG1 : rot 69:sc= 0.926 USER MOD Set 2.2: A 34 SER OG : rot 180:sc= 0.832 USER MOD Single : A 1 VAL N :NH3+ -124:sc= -0.13 (180deg=-0.484) USER MOD Single : A 5 TYR OH : rot -70:sc= 1.2 USER MOD Single : A 8 GLN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 12 CYS SG : rot 36:sc= 0.984 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00837 USER MOD Single : A 25 THR OG1 : rot 149:sc= 1.28 USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= 0.739 (180deg=0.459) USER MOD Single : A 30 LYS NZ :NH3+ -129:sc= -0.162 (180deg=-2.34!) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.117 F(o=-0.72,f=-0.12) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.946 K(o=0.95,f=-3.8!) USER MOD Single : A 55 ASN : amide:sc= -0.478 K(o=-0.48,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.607 12.613 4.572 1.00 0.00 N ATOM 2 CA VAL A 1 5.320 11.171 4.362 1.00 0.00 C ATOM 3 C VAL A 1 4.470 10.658 5.500 1.00 0.00 C ATOM 4 O VAL A 1 4.047 11.414 6.374 1.00 0.00 O ATOM 5 CB VAL A 1 6.613 10.353 4.228 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.416 10.846 3.007 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.472 10.387 5.512 1.00 0.00 C ATOM 0 H1 VAL A 1 5.292 13.154 3.742 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.101 12.948 5.416 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.630 12.748 4.705 1.00 0.00 H new ATOM 0 HA VAL A 1 4.773 11.057 3.426 1.00 0.00 H new ATOM 0 HB VAL A 1 6.333 9.310 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.333 10.263 2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 1 6.817 10.725 2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.667 11.899 3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.374 9.793 5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.749 11.417 5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.900 9.975 6.343 1.00 0.00 H new ATOM 19 N ARG A 2 4.202 9.337 5.525 1.00 0.00 N ATOM 20 CA ARG A 2 3.543 8.664 6.598 1.00 0.00 C ATOM 21 C ARG A 2 3.992 7.269 6.283 1.00 0.00 C ATOM 22 O ARG A 2 4.787 7.094 5.351 1.00 0.00 O ATOM 23 CB ARG A 2 1.990 8.826 6.690 1.00 0.00 C ATOM 24 CG ARG A 2 1.120 8.378 5.492 1.00 0.00 C ATOM 25 CD ARG A 2 1.252 9.229 4.208 1.00 0.00 C ATOM 26 NE ARG A 2 0.564 8.574 3.038 1.00 0.00 N ATOM 27 CZ ARG A 2 1.163 7.552 2.355 1.00 0.00 C ATOM 28 NH1 ARG A 2 2.176 6.828 2.914 1.00 0.00 N ATOM 29 NH2 ARG A 2 0.750 7.261 1.088 1.00 0.00 N ATOM 0 H ARG A 2 4.458 8.713 4.760 1.00 0.00 H new ATOM 0 HA ARG A 2 3.796 9.053 7.584 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.652 8.274 7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.779 9.879 6.875 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.374 7.346 5.249 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.075 8.384 5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.822 10.216 4.379 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.307 9.377 3.975 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.360 8.897 2.752 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.498 7.046 3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.611 6.069 2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.001 7.804 0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.190 6.501 0.570 1.00 0.00 H new ATOM 43 N ASP A 3 3.492 6.253 7.016 1.00 0.00 N ATOM 44 CA ASP A 3 3.801 4.872 6.778 1.00 0.00 C ATOM 45 C ASP A 3 2.418 4.330 6.857 1.00 0.00 C ATOM 46 O ASP A 3 1.621 4.869 7.630 1.00 0.00 O ATOM 47 CB ASP A 3 4.651 4.188 7.884 1.00 0.00 C ATOM 48 CG ASP A 3 5.917 4.998 8.174 1.00 0.00 C ATOM 49 OD1 ASP A 3 6.689 5.273 7.220 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.124 5.358 9.362 1.00 0.00 O ATOM 0 H ASP A 3 2.853 6.397 7.798 1.00 0.00 H new ATOM 0 HA ASP A 3 4.384 4.718 5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.060 4.090 8.795 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.922 3.180 7.570 1.00 0.00 H new ATOM 55 N GLY A 4 2.057 3.326 6.034 1.00 0.00 N ATOM 56 CA GLY A 4 0.756 2.733 6.172 1.00 0.00 C ATOM 57 C GLY A 4 0.835 1.430 5.467 1.00 0.00 C ATOM 58 O GLY A 4 1.909 1.025 5.020 1.00 0.00 O ATOM 0 H GLY A 4 2.642 2.934 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.497 2.596 7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.013 3.369 5.735 1.00 0.00 H new ATOM 62 N TYR A 5 -0.336 0.793 5.249 1.00 0.00 N ATOM 63 CA TYR A 5 -0.466 -0.274 4.290 1.00 0.00 C ATOM 64 C TYR A 5 -0.630 0.442 2.984 1.00 0.00 C ATOM 65 O TYR A 5 -1.361 1.424 2.946 1.00 0.00 O ATOM 66 CB TYR A 5 -1.744 -1.122 4.504 1.00 0.00 C ATOM 67 CG TYR A 5 -1.540 -2.209 5.520 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.597 -3.225 5.294 1.00 0.00 C ATOM 69 CD2 TYR A 5 -2.337 -2.272 6.675 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.459 -4.284 6.194 1.00 0.00 C ATOM 71 CE2 TYR A 5 -2.218 -3.344 7.569 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.288 -4.361 7.319 1.00 0.00 C ATOM 73 OH TYR A 5 -1.250 -5.503 8.146 1.00 0.00 O ATOM 0 H TYR A 5 -1.201 1.018 5.741 1.00 0.00 H new ATOM 0 HA TYR A 5 0.386 -0.951 4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.558 -0.473 4.827 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.047 -1.566 3.556 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.028 -3.187 4.414 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.049 -1.485 6.876 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.288 -5.044 6.022 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.842 -3.386 8.449 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.637 -6.266 7.668 1.00 0.00 H new ATOM 83 N ILE A 6 0.047 -0.008 1.908 1.00 0.00 N ATOM 84 CA ILE A 6 -0.092 0.564 0.592 1.00 0.00 C ATOM 85 C ILE A 6 -1.189 -0.215 -0.049 1.00 0.00 C ATOM 86 O ILE A 6 -1.392 -1.411 0.219 1.00 0.00 O ATOM 87 CB ILE A 6 1.185 0.592 -0.260 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.061 1.497 -1.513 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.612 -0.837 -0.627 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.329 1.574 -2.365 1.00 0.00 C ATOM 0 H ILE A 6 0.706 -0.786 1.949 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.318 1.627 0.677 1.00 0.00 H new ATOM 0 HB ILE A 6 1.969 1.043 0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.243 1.129 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.791 2.504 -1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.519 -0.802 -1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.804 -1.404 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.816 -1.320 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.154 2.227 -3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.147 1.973 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.591 0.577 -2.718 1.00 0.00 H new ATOM 102 N ALA A 7 -1.916 0.535 -0.888 1.00 0.00 N ATOM 103 CA ALA A 7 -3.187 0.267 -1.414 1.00 0.00 C ATOM 104 C ALA A 7 -3.094 1.179 -2.582 1.00 0.00 C ATOM 105 O ALA A 7 -2.100 1.896 -2.719 1.00 0.00 O ATOM 106 CB ALA A 7 -4.276 0.799 -0.482 1.00 0.00 C ATOM 0 H ALA A 7 -1.557 1.428 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.421 -0.782 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.256 0.582 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.188 0.318 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.161 1.877 -0.366 1.00 0.00 H new ATOM 112 N GLN A 8 -4.141 1.198 -3.408 1.00 0.00 N ATOM 113 CA GLN A 8 -4.256 2.060 -4.541 1.00 0.00 C ATOM 114 C GLN A 8 -5.000 3.248 -3.988 1.00 0.00 C ATOM 115 O GLN A 8 -5.635 3.096 -2.939 1.00 0.00 O ATOM 116 CB GLN A 8 -5.118 1.413 -5.654 1.00 0.00 C ATOM 117 CG GLN A 8 -4.683 -0.018 -6.023 1.00 0.00 C ATOM 118 CD GLN A 8 -5.771 -0.689 -6.866 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.994 -0.308 -8.020 1.00 0.00 O ATOM 120 NE2 GLN A 8 -6.470 -1.696 -6.265 1.00 0.00 N ATOM 0 H GLN A 8 -4.948 0.586 -3.286 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.287 2.293 -4.983 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.159 1.395 -5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.073 2.038 -6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.745 0.009 -6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.502 -0.598 -5.118 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.246 -1.973 -5.309 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.216 -2.172 -6.772 1.00 0.00 H new ATOM 129 N PRO A 9 -4.979 4.414 -4.618 1.00 0.00 N ATOM 130 CA PRO A 9 -5.790 5.534 -4.190 1.00 0.00 C ATOM 131 C PRO A 9 -7.257 5.191 -4.337 1.00 0.00 C ATOM 132 O PRO A 9 -7.677 4.960 -5.468 1.00 0.00 O ATOM 133 CB PRO A 9 -5.386 6.667 -5.141 1.00 0.00 C ATOM 134 CG PRO A 9 -3.911 6.367 -5.422 1.00 0.00 C ATOM 135 CD PRO A 9 -3.899 4.838 -5.510 1.00 0.00 C ATOM 0 HA PRO A 9 -5.640 5.804 -3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.981 6.660 -6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.519 7.647 -4.682 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.571 6.830 -6.348 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.263 6.733 -4.626 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.070 4.497 -6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.939 4.429 -5.194 1.00 0.00 H new ATOM 143 N GLU A 10 -8.072 5.131 -3.259 1.00 0.00 N ATOM 144 CA GLU A 10 -7.762 5.400 -1.887 1.00 0.00 C ATOM 145 C GLU A 10 -8.644 4.402 -1.240 1.00 0.00 C ATOM 146 O GLU A 10 -9.754 4.216 -1.739 1.00 0.00 O ATOM 147 CB GLU A 10 -8.229 6.807 -1.468 1.00 0.00 C ATOM 148 CG GLU A 10 -7.161 7.888 -1.684 1.00 0.00 C ATOM 149 CD GLU A 10 -7.786 9.253 -1.413 1.00 0.00 C ATOM 150 OE1 GLU A 10 -8.590 9.711 -2.270 1.00 0.00 O ATOM 151 OE2 GLU A 10 -7.475 9.853 -0.350 1.00 0.00 O ATOM 0 H GLU A 10 -9.051 4.865 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.699 5.351 -1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.122 7.070 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.512 6.790 -0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.314 7.721 -1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.779 7.843 -2.704 1.00 0.00 H new ATOM 158 N ASN A 11 -8.144 3.723 -0.171 1.00 0.00 N ATOM 159 CA ASN A 11 -8.805 2.667 0.591 1.00 0.00 C ATOM 160 C ASN A 11 -8.573 1.333 -0.064 1.00 0.00 C ATOM 161 O ASN A 11 -8.584 0.282 0.576 1.00 0.00 O ATOM 162 CB ASN A 11 -10.323 2.903 0.840 1.00 0.00 C ATOM 163 CG ASN A 11 -11.027 1.804 1.649 1.00 0.00 C ATOM 164 OD1 ASN A 11 -11.562 0.838 1.095 1.00 0.00 O ATOM 165 ND2 ASN A 11 -11.098 2.006 2.990 1.00 0.00 N ATOM 0 H ASN A 11 -7.211 3.923 0.190 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.348 2.682 1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.447 3.852 1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.823 3.000 -0.124 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.607 1.347 3.579 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.642 2.817 3.408 1.00 0.00 H new ATOM 172 N CYS A 12 -8.356 1.355 -1.386 1.00 0.00 N ATOM 173 CA CYS A 12 -8.578 0.208 -2.236 1.00 0.00 C ATOM 174 C CYS A 12 -7.315 -0.592 -2.221 1.00 0.00 C ATOM 175 O CYS A 12 -6.312 -0.113 -2.731 1.00 0.00 O ATOM 176 CB CYS A 12 -8.855 0.600 -3.714 1.00 0.00 C ATOM 177 SG CYS A 12 -10.027 1.976 -3.928 1.00 0.00 S ATOM 0 H CYS A 12 -8.020 2.179 -1.885 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.447 -0.334 -1.862 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.911 0.868 -4.188 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.240 -0.273 -4.241 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.861 2.840 -2.971 1.00 0.00 H new ATOM 182 N VAL A 13 -7.293 -1.801 -1.626 1.00 0.00 N ATOM 183 CA VAL A 13 -6.052 -2.505 -1.389 1.00 0.00 C ATOM 184 C VAL A 13 -5.319 -2.923 -2.636 1.00 0.00 C ATOM 185 O VAL A 13 -5.755 -2.790 -3.780 1.00 0.00 O ATOM 186 CB VAL A 13 -6.191 -3.690 -0.443 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.633 -3.154 0.931 1.00 0.00 C ATOM 188 CG2 VAL A 13 -7.116 -4.769 -1.037 1.00 0.00 C ATOM 0 H VAL A 13 -8.126 -2.295 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.439 -1.750 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.237 -4.200 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.740 -3.985 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.884 -2.458 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.589 -2.639 0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.197 -5.603 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.105 -4.345 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.702 -5.124 -1.981 1.00 0.00 H new ATOM 198 N TYR A 14 -4.109 -3.410 -2.353 1.00 0.00 N ATOM 199 CA TYR A 14 -3.086 -3.777 -3.265 1.00 0.00 C ATOM 200 C TYR A 14 -3.180 -5.258 -3.347 1.00 0.00 C ATOM 201 O TYR A 14 -4.232 -5.837 -3.092 1.00 0.00 O ATOM 202 CB TYR A 14 -1.738 -3.264 -2.676 1.00 0.00 C ATOM 203 CG TYR A 14 -1.015 -2.325 -3.594 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.714 -1.339 -4.305 1.00 0.00 C ATOM 205 CD2 TYR A 14 0.378 -2.403 -3.736 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.055 -0.486 -5.193 1.00 0.00 C ATOM 207 CE2 TYR A 14 1.047 -1.529 -4.598 1.00 0.00 C ATOM 208 CZ TYR A 14 0.328 -0.601 -5.358 1.00 0.00 C ATOM 209 OH TYR A 14 0.979 0.198 -6.315 1.00 0.00 O ATOM 0 H TYR A 14 -3.820 -3.561 -1.387 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.170 -3.354 -4.266 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.930 -2.760 -1.729 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.095 -4.117 -2.459 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.780 -1.238 -4.164 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.936 -3.140 -3.178 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.610 0.256 -5.748 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.123 -1.571 -4.677 1.00 0.00 H new ATOM 0 HH TYR A 14 1.939 0.001 -6.307 1.00 0.00 H new ATOM 219 N HIS A 15 -2.071 -5.914 -3.695 1.00 0.00 N ATOM 220 CA HIS A 15 -1.916 -7.302 -3.458 1.00 0.00 C ATOM 221 C HIS A 15 -0.474 -7.235 -3.120 1.00 0.00 C ATOM 222 O HIS A 15 0.120 -6.153 -3.145 1.00 0.00 O ATOM 223 CB HIS A 15 -2.201 -8.238 -4.655 1.00 0.00 C ATOM 224 CG HIS A 15 -3.676 -8.493 -4.795 1.00 0.00 C ATOM 225 ND1 HIS A 15 -4.515 -7.718 -5.552 1.00 0.00 N ATOM 226 CD2 HIS A 15 -4.450 -9.379 -4.124 1.00 0.00 C ATOM 227 CE1 HIS A 15 -5.761 -8.123 -5.340 1.00 0.00 C ATOM 228 NE2 HIS A 15 -5.748 -9.134 -4.482 1.00 0.00 N ATOM 0 H HIS A 15 -1.270 -5.474 -4.148 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.607 -7.729 -2.731 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.816 -7.791 -5.572 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -1.676 -9.183 -4.516 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.107 -10.137 -3.435 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.644 -7.697 -5.794 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.566 -9.642 -4.146 1.00 0.00 H new ATOM 237 N CYS A 16 0.096 -8.382 -2.766 1.00 0.00 N ATOM 238 CA CYS A 16 1.424 -8.510 -2.308 1.00 0.00 C ATOM 239 C CYS A 16 1.675 -9.797 -2.987 1.00 0.00 C ATOM 240 O CYS A 16 0.724 -10.508 -3.322 1.00 0.00 O ATOM 241 CB CYS A 16 1.495 -8.705 -0.771 1.00 0.00 C ATOM 242 SG CYS A 16 3.109 -9.203 -0.109 1.00 0.00 S ATOM 0 H CYS A 16 -0.400 -9.272 -2.802 1.00 0.00 H new ATOM 0 HA CYS A 16 2.095 -7.672 -2.499 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.200 -7.772 -0.292 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.759 -9.457 -0.485 1.00 0.00 H new ATOM 247 N PHE A 17 2.957 -10.112 -3.188 1.00 0.00 N ATOM 248 CA PHE A 17 3.423 -11.385 -3.595 1.00 0.00 C ATOM 249 C PHE A 17 4.355 -11.508 -2.436 1.00 0.00 C ATOM 250 O PHE A 17 5.132 -10.560 -2.302 1.00 0.00 O ATOM 251 CB PHE A 17 4.255 -11.314 -4.892 1.00 0.00 C ATOM 252 CG PHE A 17 3.362 -10.945 -6.048 1.00 0.00 C ATOM 253 CD1 PHE A 17 3.035 -9.603 -6.333 1.00 0.00 C ATOM 254 CD2 PHE A 17 2.811 -11.960 -6.844 1.00 0.00 C ATOM 255 CE1 PHE A 17 2.144 -9.297 -7.371 1.00 0.00 C ATOM 256 CE2 PHE A 17 1.929 -11.654 -7.885 1.00 0.00 C ATOM 257 CZ PHE A 17 1.587 -10.323 -8.143 1.00 0.00 C ATOM 0 H PHE A 17 3.711 -9.437 -3.058 1.00 0.00 H new ATOM 0 HA PHE A 17 2.678 -12.155 -3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.051 -10.577 -4.785 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.734 -12.275 -5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.473 -8.807 -5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.071 -12.990 -6.651 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.887 -8.268 -7.575 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.512 -12.446 -8.490 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.894 -10.087 -8.937 1.00 0.00 H new ATOM 267 N PRO A 18 4.301 -12.497 -1.551 1.00 0.00 N ATOM 268 CA PRO A 18 5.235 -12.584 -0.433 1.00 0.00 C ATOM 269 C PRO A 18 6.671 -12.884 -0.825 1.00 0.00 C ATOM 270 O PRO A 18 7.179 -13.953 -0.490 1.00 0.00 O ATOM 271 CB PRO A 18 4.661 -13.735 0.410 1.00 0.00 C ATOM 272 CG PRO A 18 3.148 -13.588 0.246 1.00 0.00 C ATOM 273 CD PRO A 18 3.008 -13.110 -1.202 1.00 0.00 C ATOM 0 HA PRO A 18 5.308 -11.626 0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.010 -14.704 0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.960 -13.653 1.455 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.630 -14.532 0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.733 -12.868 0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.778 -13.942 -1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.195 -12.390 -1.299 1.00 0.00 H new ATOM 281 N GLY A 19 7.364 -11.958 -1.506 1.00 0.00 N ATOM 282 CA GLY A 19 8.743 -12.095 -1.832 1.00 0.00 C ATOM 283 C GLY A 19 9.009 -10.752 -2.398 1.00 0.00 C ATOM 284 O GLY A 19 8.063 -10.042 -2.756 1.00 0.00 O ATOM 0 H GLY A 19 6.950 -11.087 -1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.359 -12.308 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.924 -12.894 -2.552 1.00 0.00 H new ATOM 288 N SER A 20 10.300 -10.357 -2.476 1.00 0.00 N ATOM 289 CA SER A 20 10.711 -9.025 -2.821 1.00 0.00 C ATOM 290 C SER A 20 10.301 -8.650 -4.210 1.00 0.00 C ATOM 291 O SER A 20 9.864 -7.529 -4.450 1.00 0.00 O ATOM 292 CB SER A 20 12.241 -8.856 -2.711 1.00 0.00 C ATOM 293 OG SER A 20 12.678 -9.388 -1.468 1.00 0.00 O ATOM 0 H SER A 20 11.082 -10.986 -2.293 1.00 0.00 H new ATOM 0 HA SER A 20 10.212 -8.369 -2.108 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.736 -9.369 -3.535 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.509 -7.802 -2.784 1.00 0.00 H new ATOM 0 HG SER A 20 13.650 -9.286 -1.392 1.00 0.00 H new ATOM 299 N SER A 21 10.403 -9.590 -5.170 1.00 0.00 N ATOM 300 CA SER A 21 10.265 -9.288 -6.567 1.00 0.00 C ATOM 301 C SER A 21 8.909 -8.750 -6.941 1.00 0.00 C ATOM 302 O SER A 21 8.795 -7.969 -7.885 1.00 0.00 O ATOM 303 CB SER A 21 10.586 -10.528 -7.430 1.00 0.00 C ATOM 304 OG SER A 21 11.692 -11.239 -6.870 1.00 0.00 O ATOM 0 H SER A 21 10.584 -10.575 -4.975 1.00 0.00 H new ATOM 0 HA SER A 21 10.986 -8.495 -6.767 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.714 -11.180 -7.484 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.819 -10.221 -8.450 1.00 0.00 H new ATOM 0 HG SER A 21 11.889 -12.025 -7.421 1.00 0.00 H new ATOM 310 N GLY A 22 7.864 -9.115 -6.171 1.00 0.00 N ATOM 311 CA GLY A 22 6.586 -8.470 -6.303 1.00 0.00 C ATOM 312 C GLY A 22 6.551 -7.307 -5.363 1.00 0.00 C ATOM 313 O GLY A 22 6.713 -6.166 -5.790 1.00 0.00 O ATOM 0 H GLY A 22 7.900 -9.849 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.434 -8.135 -7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.782 -9.169 -6.073 1.00 0.00 H new ATOM 317 N CYS A 23 6.348 -7.564 -4.048 1.00 0.00 N ATOM 318 CA CYS A 23 5.947 -6.558 -3.079 1.00 0.00 C ATOM 319 C CYS A 23 6.936 -5.425 -2.953 1.00 0.00 C ATOM 320 O CYS A 23 6.541 -4.269 -2.804 1.00 0.00 O ATOM 321 CB CYS A 23 5.717 -7.182 -1.675 1.00 0.00 C ATOM 322 SG CYS A 23 4.990 -6.090 -0.398 1.00 0.00 S ATOM 0 H CYS A 23 6.464 -8.493 -3.642 1.00 0.00 H new ATOM 0 HA CYS A 23 5.012 -6.148 -3.461 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.067 -8.049 -1.791 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.675 -7.548 -1.304 1.00 0.00 H new ATOM 327 N ASP A 24 8.257 -5.719 -3.035 1.00 0.00 N ATOM 328 CA ASP A 24 9.288 -4.732 -2.797 1.00 0.00 C ATOM 329 C ASP A 24 9.305 -3.818 -3.978 1.00 0.00 C ATOM 330 O ASP A 24 9.279 -2.604 -3.817 1.00 0.00 O ATOM 331 CB ASP A 24 10.714 -5.321 -2.617 1.00 0.00 C ATOM 332 CG ASP A 24 11.591 -4.403 -1.764 1.00 0.00 C ATOM 333 OD1 ASP A 24 11.260 -4.227 -0.561 1.00 0.00 O ATOM 334 OD2 ASP A 24 12.600 -3.876 -2.301 1.00 0.00 O ATOM 0 H ASP A 24 8.615 -6.646 -3.267 1.00 0.00 H new ATOM 0 HA ASP A 24 9.046 -4.230 -1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.648 -6.303 -2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.176 -5.465 -3.594 1.00 0.00 H new ATOM 339 N THR A 25 9.288 -4.390 -5.202 1.00 0.00 N ATOM 340 CA THR A 25 9.205 -3.646 -6.435 1.00 0.00 C ATOM 341 C THR A 25 8.004 -2.725 -6.444 1.00 0.00 C ATOM 342 O THR A 25 8.131 -1.550 -6.787 1.00 0.00 O ATOM 343 CB THR A 25 9.093 -4.583 -7.620 1.00 0.00 C ATOM 344 OG1 THR A 25 9.992 -5.676 -7.453 1.00 0.00 O ATOM 345 CG2 THR A 25 9.432 -3.837 -8.926 1.00 0.00 C ATOM 0 H THR A 25 9.333 -5.399 -5.341 1.00 0.00 H new ATOM 0 HA THR A 25 10.117 -3.054 -6.510 1.00 0.00 H new ATOM 0 HB THR A 25 8.070 -4.954 -7.678 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.621 -6.474 -7.885 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.347 -4.523 -9.769 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.738 -3.007 -9.062 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.451 -3.453 -8.872 1.00 0.00 H new ATOM 353 N LEU A 26 6.820 -3.240 -6.030 1.00 0.00 N ATOM 354 CA LEU A 26 5.577 -2.502 -6.054 1.00 0.00 C ATOM 355 C LEU A 26 5.591 -1.360 -5.075 1.00 0.00 C ATOM 356 O LEU A 26 5.015 -0.302 -5.318 1.00 0.00 O ATOM 357 CB LEU A 26 4.365 -3.374 -5.672 1.00 0.00 C ATOM 358 CG LEU A 26 4.037 -4.504 -6.671 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.968 -5.441 -6.080 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.613 -3.964 -8.051 1.00 0.00 C ATOM 0 H LEU A 26 6.723 -4.190 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 26 5.484 -2.146 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.548 -3.816 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.490 -2.731 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 26 4.950 -5.076 -6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.745 -6.234 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.340 -5.880 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.061 -4.873 -5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.393 -4.799 -8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.724 -3.344 -7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.422 -3.367 -8.472 1.00 0.00 H new ATOM 372 N CYS A 27 6.253 -1.572 -3.925 1.00 0.00 N ATOM 373 CA CYS A 27 6.458 -0.562 -2.910 1.00 0.00 C ATOM 374 C CYS A 27 7.431 0.472 -3.427 1.00 0.00 C ATOM 375 O CYS A 27 7.161 1.674 -3.377 1.00 0.00 O ATOM 376 CB CYS A 27 6.980 -1.175 -1.577 1.00 0.00 C ATOM 377 SG CYS A 27 6.959 -0.040 -0.158 1.00 0.00 S ATOM 0 H CYS A 27 6.663 -2.474 -3.684 1.00 0.00 H new ATOM 0 HA CYS A 27 5.497 -0.094 -2.694 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.376 -2.049 -1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.001 -1.525 -1.729 1.00 0.00 H new ATOM 382 N LYS A 28 8.582 0.020 -3.985 1.00 0.00 N ATOM 383 CA LYS A 28 9.646 0.902 -4.423 1.00 0.00 C ATOM 384 C LYS A 28 9.160 1.835 -5.498 1.00 0.00 C ATOM 385 O LYS A 28 9.399 3.040 -5.431 1.00 0.00 O ATOM 386 CB LYS A 28 10.886 0.160 -4.990 1.00 0.00 C ATOM 387 CG LYS A 28 11.767 -0.546 -3.939 1.00 0.00 C ATOM 388 CD LYS A 28 12.557 0.402 -3.020 1.00 0.00 C ATOM 389 CE LYS A 28 13.585 -0.349 -2.161 1.00 0.00 C ATOM 390 NZ LYS A 28 14.383 0.582 -1.330 1.00 0.00 N ATOM 0 H LYS A 28 8.780 -0.969 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 28 9.945 1.441 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.546 -0.582 -5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.501 0.877 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.133 -1.183 -3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.470 -1.200 -4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.069 1.150 -3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.864 0.937 -2.370 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.071 -1.063 -1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.250 -0.923 -2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.285 0.133 -1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.570 1.453 -1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.855 0.815 -0.465 1.00 0.00 H new ATOM 404 N GLU A 29 8.422 1.298 -6.498 1.00 0.00 N ATOM 405 CA GLU A 29 8.002 2.050 -7.661 1.00 0.00 C ATOM 406 C GLU A 29 6.978 3.111 -7.339 1.00 0.00 C ATOM 407 O GLU A 29 6.726 3.988 -8.163 1.00 0.00 O ATOM 408 CB GLU A 29 7.445 1.146 -8.791 1.00 0.00 C ATOM 409 CG GLU A 29 6.097 0.476 -8.472 1.00 0.00 C ATOM 410 CD GLU A 29 5.619 -0.435 -9.604 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.403 -0.689 -10.557 1.00 0.00 O ATOM 412 OE2 GLU A 29 4.445 -0.887 -9.526 1.00 0.00 O ATOM 0 H GLU A 29 8.110 0.327 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 29 8.912 2.537 -8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.333 1.745 -9.695 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.178 0.370 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.191 -0.106 -7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.347 1.245 -8.286 1.00 0.00 H new ATOM 419 N LYS A 30 6.367 3.063 -6.132 1.00 0.00 N ATOM 420 CA LYS A 30 5.412 4.057 -5.693 1.00 0.00 C ATOM 421 C LYS A 30 6.088 5.020 -4.756 1.00 0.00 C ATOM 422 O LYS A 30 5.473 5.972 -4.278 1.00 0.00 O ATOM 423 CB LYS A 30 4.210 3.413 -4.974 1.00 0.00 C ATOM 424 CG LYS A 30 3.314 2.547 -5.882 1.00 0.00 C ATOM 425 CD LYS A 30 2.338 3.328 -6.790 1.00 0.00 C ATOM 426 CE LYS A 30 2.853 3.702 -8.190 1.00 0.00 C ATOM 427 NZ LYS A 30 3.154 2.499 -8.999 1.00 0.00 N ATOM 0 H LYS A 30 6.536 2.325 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 30 5.042 4.579 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.580 2.797 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.602 4.202 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.954 1.929 -6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.736 1.870 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.432 2.734 -6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.053 4.245 -6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.107 4.309 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.751 4.313 -8.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.112 2.578 -9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.097 1.653 -8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.464 2.420 -9.773 1.00 0.00 H new ATOM 441 N GLY A 31 7.395 4.803 -4.498 1.00 0.00 N ATOM 442 CA GLY A 31 8.219 5.724 -3.763 1.00 0.00 C ATOM 443 C GLY A 31 8.274 5.357 -2.319 1.00 0.00 C ATOM 444 O GLY A 31 8.486 6.235 -1.490 1.00 0.00 O ATOM 0 H GLY A 31 7.892 3.968 -4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.226 5.728 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.826 6.735 -3.870 1.00 0.00 H new ATOM 448 N GLY A 32 8.082 4.062 -1.974 1.00 0.00 N ATOM 449 CA GLY A 32 8.215 3.600 -0.615 1.00 0.00 C ATOM 450 C GLY A 32 9.634 3.179 -0.441 1.00 0.00 C ATOM 451 O GLY A 32 10.211 2.561 -1.337 1.00 0.00 O ATOM 0 H GLY A 32 7.833 3.331 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.957 4.391 0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.538 2.768 -0.421 1.00 0.00 H new ATOM 455 N THR A 33 10.249 3.513 0.716 1.00 0.00 N ATOM 456 CA THR A 33 11.663 3.324 0.916 1.00 0.00 C ATOM 457 C THR A 33 11.924 1.916 1.362 1.00 0.00 C ATOM 458 O THR A 33 13.007 1.367 1.171 1.00 0.00 O ATOM 459 CB THR A 33 12.207 4.269 1.980 1.00 0.00 C ATOM 460 OG1 THR A 33 11.476 4.180 3.205 1.00 0.00 O ATOM 461 CG2 THR A 33 12.092 5.712 1.445 1.00 0.00 C ATOM 0 H THR A 33 9.764 3.916 1.518 1.00 0.00 H new ATOM 0 HA THR A 33 12.161 3.531 -0.031 1.00 0.00 H new ATOM 0 HB THR A 33 13.241 3.992 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.650 3.313 3.627 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.476 6.408 2.191 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.672 5.807 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.047 5.941 1.239 1.00 0.00 H new ATOM 469 N SER A 34 10.933 1.349 2.059 1.00 0.00 N ATOM 470 CA SER A 34 11.084 0.142 2.794 1.00 0.00 C ATOM 471 C SER A 34 9.643 -0.237 2.906 1.00 0.00 C ATOM 472 O SER A 34 8.780 0.630 2.737 1.00 0.00 O ATOM 473 CB SER A 34 11.777 0.364 4.172 1.00 0.00 C ATOM 474 OG SER A 34 11.728 1.733 4.601 1.00 0.00 O ATOM 0 H SER A 34 9.994 1.744 2.113 1.00 0.00 H new ATOM 0 HA SER A 34 11.725 -0.614 2.341 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.297 -0.265 4.921 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.817 0.045 4.107 1.00 0.00 H new ATOM 0 HG SER A 34 12.174 1.820 5.469 1.00 0.00 H new ATOM 480 N GLY A 35 9.330 -1.525 3.147 1.00 0.00 N ATOM 481 CA GLY A 35 7.984 -1.991 3.134 1.00 0.00 C ATOM 482 C GLY A 35 8.202 -3.441 3.356 1.00 0.00 C ATOM 483 O GLY A 35 9.359 -3.832 3.529 1.00 0.00 O ATOM 0 H GLY A 35 10.021 -2.247 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.380 -1.537 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.483 -1.786 2.188 1.00 0.00 H new ATOM 487 N HIS A 36 7.125 -4.253 3.355 1.00 0.00 N ATOM 488 CA HIS A 36 7.201 -5.676 3.523 1.00 0.00 C ATOM 489 C HIS A 36 5.778 -6.052 3.266 1.00 0.00 C ATOM 490 O HIS A 36 4.980 -5.171 2.936 1.00 0.00 O ATOM 491 CB HIS A 36 7.678 -6.196 4.911 1.00 0.00 C ATOM 492 CG HIS A 36 6.816 -5.826 6.092 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.061 -6.619 6.884 1.00 0.00 N flip ATOM 494 CD2 HIS A 36 6.653 -4.541 6.534 1.00 0.00 C flip ATOM 495 CE1 HIS A 36 5.437 -5.808 7.792 1.00 0.00 C flip ATOM 496 NE2 HIS A 36 5.814 -4.558 7.561 1.00 0.00 N flip ATOM 0 H HIS A 36 6.172 -3.909 3.234 1.00 0.00 H new ATOM 0 HA HIS A 36 7.957 -6.115 2.872 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.747 -7.283 4.864 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.685 -5.820 5.090 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.126 -3.664 6.118 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.754 -6.131 8.564 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.508 -3.740 8.089 1.00 0.00 H new ATOM 505 N CYS A 37 5.416 -7.345 3.398 1.00 0.00 N ATOM 506 CA CYS A 37 4.095 -7.830 3.084 1.00 0.00 C ATOM 507 C CYS A 37 3.279 -7.730 4.338 1.00 0.00 C ATOM 508 O CYS A 37 3.831 -7.621 5.430 1.00 0.00 O ATOM 509 CB CYS A 37 4.155 -9.317 2.659 1.00 0.00 C ATOM 510 SG CYS A 37 2.715 -9.919 1.735 1.00 0.00 S ATOM 0 H CYS A 37 6.051 -8.071 3.729 1.00 0.00 H new ATOM 0 HA CYS A 37 3.666 -7.247 2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.046 -9.468 2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.274 -9.929 3.553 1.00 0.00 H new ATOM 515 N GLY A 38 1.944 -7.798 4.234 1.00 0.00 N ATOM 516 CA GLY A 38 1.125 -7.893 5.395 1.00 0.00 C ATOM 517 C GLY A 38 -0.166 -8.220 4.751 1.00 0.00 C ATOM 518 O GLY A 38 -0.195 -8.415 3.535 1.00 0.00 O ATOM 0 H GLY A 38 1.434 -7.787 3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.460 -8.670 6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.088 -6.962 5.960 1.00 0.00 H new ATOM 522 N PHE A 39 -1.257 -8.296 5.533 1.00 0.00 N ATOM 523 CA PHE A 39 -2.562 -8.601 5.025 1.00 0.00 C ATOM 524 C PHE A 39 -3.340 -7.500 5.671 1.00 0.00 C ATOM 525 O PHE A 39 -2.965 -7.059 6.765 1.00 0.00 O ATOM 526 CB PHE A 39 -3.062 -9.997 5.495 1.00 0.00 C ATOM 527 CG PHE A 39 -4.193 -10.536 4.654 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.523 -10.183 4.930 1.00 0.00 C ATOM 529 CD2 PHE A 39 -3.943 -11.445 3.610 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.580 -10.723 4.191 1.00 0.00 C ATOM 531 CE2 PHE A 39 -4.996 -11.986 2.860 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.318 -11.633 3.159 1.00 0.00 C ATOM 0 H PHE A 39 -1.234 -8.142 6.541 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.631 -8.653 3.938 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.231 -10.701 5.469 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.390 -9.928 6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.733 -9.483 5.725 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.926 -11.730 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.597 -10.439 4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.789 -12.674 2.053 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.133 -12.061 2.595 1.00 0.00 H new ATOM 542 N LYS A 40 -4.407 -7.020 4.998 1.00 0.00 N ATOM 543 CA LYS A 40 -5.262 -5.979 5.492 1.00 0.00 C ATOM 544 C LYS A 40 -6.574 -6.679 5.653 1.00 0.00 C ATOM 545 O LYS A 40 -7.351 -6.836 4.709 1.00 0.00 O ATOM 546 CB LYS A 40 -5.380 -4.786 4.513 1.00 0.00 C ATOM 547 CG LYS A 40 -6.350 -3.664 4.930 1.00 0.00 C ATOM 548 CD LYS A 40 -6.237 -3.221 6.399 1.00 0.00 C ATOM 549 CE LYS A 40 -7.026 -1.934 6.676 1.00 0.00 C ATOM 550 NZ LYS A 40 -6.975 -1.557 8.108 1.00 0.00 N ATOM 0 H LYS A 40 -4.683 -7.368 4.080 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.884 -5.532 6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.389 -4.352 4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.694 -5.168 3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.177 -2.798 4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.371 -3.999 4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.604 -4.017 7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.188 -3.064 6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.622 -1.122 6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.064 -2.071 6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.519 -0.683 8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.384 -2.321 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.986 -1.402 8.391 1.00 0.00 H new ATOM 564 N VAL A 41 -6.825 -7.168 6.884 1.00 0.00 N ATOM 565 CA VAL A 41 -7.918 -8.052 7.188 1.00 0.00 C ATOM 566 C VAL A 41 -9.183 -7.246 7.145 1.00 0.00 C ATOM 567 O VAL A 41 -9.323 -6.257 7.861 1.00 0.00 O ATOM 568 CB VAL A 41 -7.779 -8.741 8.540 1.00 0.00 C ATOM 569 CG1 VAL A 41 -8.676 -9.999 8.559 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.298 -9.103 8.797 1.00 0.00 C ATOM 0 H VAL A 41 -6.250 -6.942 7.696 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.927 -8.852 6.448 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.101 -8.071 9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.582 -10.498 9.523 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.714 -9.708 8.400 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.365 -10.680 7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.206 -9.595 9.765 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.946 -9.775 8.014 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.695 -8.195 8.793 1.00 0.00 H new ATOM 580 N GLY A 42 -10.112 -7.639 6.255 1.00 0.00 N ATOM 581 CA GLY A 42 -11.303 -6.882 5.985 1.00 0.00 C ATOM 582 C GLY A 42 -11.285 -6.568 4.529 1.00 0.00 C ATOM 583 O GLY A 42 -12.328 -6.302 3.941 1.00 0.00 O ATOM 0 H GLY A 42 -10.038 -8.498 5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.193 -7.453 6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.324 -5.968 6.579 1.00 0.00 H new ATOM 587 N HIS A 43 -10.091 -6.579 3.899 1.00 0.00 N ATOM 588 CA HIS A 43 -9.971 -6.314 2.489 1.00 0.00 C ATOM 589 C HIS A 43 -9.320 -7.507 1.847 1.00 0.00 C ATOM 590 O HIS A 43 -9.969 -8.255 1.118 1.00 0.00 O ATOM 591 CB HIS A 43 -9.115 -5.067 2.196 1.00 0.00 C ATOM 592 CG HIS A 43 -9.805 -3.743 2.395 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.722 -2.849 3.408 1.00 0.00 N flip ATOM 594 CD2 HIS A 43 -10.553 -3.159 1.406 1.00 0.00 C flip ATOM 595 CE1 HIS A 43 -10.410 -1.732 3.020 1.00 0.00 C flip ATOM 596 NE2 HIS A 43 -10.899 -1.942 1.805 1.00 0.00 N flip ATOM 0 H HIS A 43 -9.205 -6.772 4.366 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.968 -6.129 2.090 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.232 -5.096 2.835 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.765 -5.123 1.165 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.816 -3.613 0.462 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.534 -0.832 3.604 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.451 -1.276 1.265 1.00 0.00 H new ATOM 605 N GLY A 44 -8.009 -7.721 2.069 1.00 0.00 N ATOM 606 CA GLY A 44 -7.313 -8.708 1.303 1.00 0.00 C ATOM 607 C GLY A 44 -5.873 -8.502 1.596 1.00 0.00 C ATOM 608 O GLY A 44 -5.512 -7.885 2.599 1.00 0.00 O ATOM 0 H GLY A 44 -7.444 -7.226 2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.629 -9.714 1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.516 -8.592 0.238 1.00 0.00 H new ATOM 612 N LEU A 45 -5.004 -9.008 0.692 1.00 0.00 N ATOM 613 CA LEU A 45 -3.567 -8.934 0.806 1.00 0.00 C ATOM 614 C LEU A 45 -3.256 -7.521 0.385 1.00 0.00 C ATOM 615 O LEU A 45 -4.003 -6.942 -0.400 1.00 0.00 O ATOM 616 CB LEU A 45 -2.859 -9.907 -0.181 1.00 0.00 C ATOM 617 CG LEU A 45 -2.094 -11.095 0.464 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.506 -12.017 -0.624 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.017 -10.698 1.488 1.00 0.00 C ATOM 0 H LEU A 45 -5.312 -9.488 -0.153 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.229 -9.198 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.608 -10.310 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.156 -9.333 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.843 -11.636 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.974 -12.843 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.313 -12.411 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.815 -11.449 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.540 -11.596 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.268 -10.072 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.479 -10.145 2.306 1.00 0.00 H new ATOM 631 N ALA A 46 -2.181 -6.904 0.892 1.00 0.00 N ATOM 632 CA ALA A 46 -1.916 -5.524 0.615 1.00 0.00 C ATOM 633 C ALA A 46 -0.464 -5.508 0.924 1.00 0.00 C ATOM 634 O ALA A 46 0.025 -6.529 1.410 1.00 0.00 O ATOM 635 CB ALA A 46 -2.692 -4.568 1.545 1.00 0.00 C ATOM 0 H ALA A 46 -1.493 -7.356 1.494 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.204 -5.193 -0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.452 -3.536 1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.763 -4.732 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.410 -4.760 2.580 1.00 0.00 H new ATOM 641 N CYS A 47 0.269 -4.397 0.681 1.00 0.00 N ATOM 642 CA CYS A 47 1.683 -4.422 1.038 1.00 0.00 C ATOM 643 C CYS A 47 1.761 -3.376 2.089 1.00 0.00 C ATOM 644 O CYS A 47 0.835 -2.583 2.235 1.00 0.00 O ATOM 645 CB CYS A 47 2.699 -4.120 -0.104 1.00 0.00 C ATOM 646 SG CYS A 47 3.148 -5.574 -1.097 1.00 0.00 S ATOM 0 H CYS A 47 -0.076 -3.531 0.266 1.00 0.00 H new ATOM 0 HA CYS A 47 1.974 -5.429 1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.276 -3.360 -0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.604 -3.696 0.331 1.00 0.00 H new ATOM 651 N TRP A 48 2.857 -3.349 2.862 1.00 0.00 N ATOM 652 CA TRP A 48 3.114 -2.326 3.837 1.00 0.00 C ATOM 653 C TRP A 48 4.192 -1.533 3.168 1.00 0.00 C ATOM 654 O TRP A 48 4.994 -2.117 2.439 1.00 0.00 O ATOM 655 CB TRP A 48 3.594 -2.922 5.190 1.00 0.00 C ATOM 656 CG TRP A 48 4.045 -1.905 6.222 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.285 -1.352 6.355 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.205 -1.255 7.192 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.272 -0.374 7.312 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.005 -0.296 7.848 1.00 0.00 C ATOM 661 CE3 TRP A 48 1.863 -1.416 7.517 1.00 0.00 C ATOM 662 CZ2 TRP A 48 3.470 0.521 8.839 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.325 -0.598 8.520 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.117 0.361 9.171 1.00 0.00 C ATOM 0 H TRP A 48 3.590 -4.057 2.812 1.00 0.00 H new ATOM 0 HA TRP A 48 2.234 -1.740 4.102 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.783 -3.513 5.616 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.419 -3.607 4.994 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.154 -1.645 5.785 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.069 0.202 7.584 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.253 -2.150 7.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.080 1.259 9.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.287 -0.707 8.796 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.679 0.983 9.937 1.00 0.00 H new ATOM 675 N CYS A 49 4.234 -0.198 3.381 1.00 0.00 N ATOM 676 CA CYS A 49 5.297 0.618 2.865 1.00 0.00 C ATOM 677 C CYS A 49 5.556 1.613 3.942 1.00 0.00 C ATOM 678 O CYS A 49 4.637 2.031 4.651 1.00 0.00 O ATOM 679 CB CYS A 49 4.967 1.401 1.575 1.00 0.00 C ATOM 680 SG CYS A 49 4.987 0.351 0.097 1.00 0.00 S ATOM 0 H CYS A 49 3.530 0.315 3.911 1.00 0.00 H new ATOM 0 HA CYS A 49 6.131 -0.031 2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.984 1.862 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.687 2.210 1.451 1.00 0.00 H new ATOM 685 N ASN A 50 6.832 2.022 4.059 1.00 0.00 N ATOM 686 CA ASN A 50 7.278 3.079 4.913 1.00 0.00 C ATOM 687 C ASN A 50 7.693 4.134 3.946 1.00 0.00 C ATOM 688 O ASN A 50 8.324 3.826 2.935 1.00 0.00 O ATOM 689 CB ASN A 50 8.548 2.750 5.748 1.00 0.00 C ATOM 690 CG ASN A 50 8.182 2.175 7.121 1.00 0.00 C ATOM 691 OD1 ASN A 50 7.443 1.193 7.248 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.725 2.809 8.202 1.00 0.00 N ATOM 0 H ASN A 50 7.592 1.593 3.530 1.00 0.00 H new ATOM 0 HA ASN A 50 6.490 3.323 5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.167 2.035 5.206 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.144 3.653 5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.524 2.474 9.144 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.332 3.618 8.067 1.00 0.00 H new ATOM 699 N ALA A 51 7.349 5.400 4.274 1.00 0.00 N ATOM 700 CA ALA A 51 7.794 6.608 3.631 1.00 0.00 C ATOM 701 C ALA A 51 7.452 6.636 2.176 1.00 0.00 C ATOM 702 O ALA A 51 8.342 6.583 1.334 1.00 0.00 O ATOM 703 CB ALA A 51 9.288 6.928 3.832 1.00 0.00 C ATOM 0 H ALA A 51 6.712 5.592 5.047 1.00 0.00 H new ATOM 0 HA ALA A 51 7.239 7.396 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.535 7.854 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.496 7.041 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.892 6.115 3.429 1.00 0.00 H new ATOM 709 N LEU A 52 6.141 6.749 1.874 1.00 0.00 N ATOM 710 CA LEU A 52 5.664 7.057 0.551 1.00 0.00 C ATOM 711 C LEU A 52 5.385 8.529 0.671 1.00 0.00 C ATOM 712 O LEU A 52 5.019 8.954 1.769 1.00 0.00 O ATOM 713 CB LEU A 52 4.313 6.402 0.163 1.00 0.00 C ATOM 714 CG LEU A 52 4.338 4.868 0.014 1.00 0.00 C ATOM 715 CD1 LEU A 52 2.983 4.239 0.381 1.00 0.00 C ATOM 716 CD2 LEU A 52 4.728 4.465 -1.412 1.00 0.00 C ATOM 0 H LEU A 52 5.397 6.624 2.560 1.00 0.00 H new ATOM 0 HA LEU A 52 6.385 6.716 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.572 6.664 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.976 6.836 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 52 5.088 4.491 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.040 3.157 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.739 4.479 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.208 4.635 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.739 3.378 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.004 4.874 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.719 4.856 -1.642 1.00 0.00 H new ATOM 728 N PRO A 53 5.516 9.333 -0.372 1.00 0.00 N ATOM 729 CA PRO A 53 5.162 10.740 -0.324 1.00 0.00 C ATOM 730 C PRO A 53 3.680 10.953 -0.147 1.00 0.00 C ATOM 731 O PRO A 53 2.898 10.016 -0.290 1.00 0.00 O ATOM 732 CB PRO A 53 5.606 11.274 -1.688 1.00 0.00 C ATOM 733 CG PRO A 53 6.784 10.380 -2.079 1.00 0.00 C ATOM 734 CD PRO A 53 6.347 9.021 -1.537 1.00 0.00 C ATOM 0 HA PRO A 53 5.633 11.242 0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.801 11.214 -2.420 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.904 12.321 -1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.939 10.358 -3.158 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.718 10.717 -1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.786 8.459 -2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.206 8.411 -1.258 1.00 0.00 H new ATOM 742 N ASP A 54 3.272 12.193 0.157 1.00 0.00 N ATOM 743 CA ASP A 54 1.894 12.500 0.451 1.00 0.00 C ATOM 744 C ASP A 54 1.054 12.686 -0.791 1.00 0.00 C ATOM 745 O ASP A 54 -0.123 13.018 -0.689 1.00 0.00 O ATOM 746 CB ASP A 54 1.784 13.813 1.251 1.00 0.00 C ATOM 747 CG ASP A 54 2.455 13.661 2.618 1.00 0.00 C ATOM 748 OD1 ASP A 54 2.013 12.777 3.400 1.00 0.00 O ATOM 749 OD2 ASP A 54 3.418 14.426 2.896 1.00 0.00 O ATOM 0 H ASP A 54 3.897 12.998 0.202 1.00 0.00 H new ATOM 0 HA ASP A 54 1.526 11.646 1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.254 14.625 0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.735 14.081 1.381 1.00 0.00 H new ATOM 754 N ASN A 55 1.619 12.473 -2.001 1.00 0.00 N ATOM 755 CA ASN A 55 0.855 12.480 -3.231 1.00 0.00 C ATOM 756 C ASN A 55 0.651 11.056 -3.666 1.00 0.00 C ATOM 757 O ASN A 55 0.214 10.800 -4.787 1.00 0.00 O ATOM 758 CB ASN A 55 1.470 13.319 -4.395 1.00 0.00 C ATOM 759 CG ASN A 55 2.845 12.819 -4.864 1.00 0.00 C ATOM 760 OD1 ASN A 55 3.655 12.366 -4.050 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.115 12.933 -6.197 1.00 0.00 N ATOM 0 H ASN A 55 2.614 12.294 -2.133 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.089 12.978 -3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.782 13.308 -5.241 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.562 14.356 -4.073 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.021 12.637 -6.561 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.411 13.314 -6.829 1.00 0.00 H new ATOM 768 N VAL A 56 0.930 10.099 -2.759 1.00 0.00 N ATOM 769 CA VAL A 56 0.559 8.721 -2.896 1.00 0.00 C ATOM 770 C VAL A 56 -0.469 8.664 -1.813 1.00 0.00 C ATOM 771 O VAL A 56 -0.402 9.446 -0.865 1.00 0.00 O ATOM 772 CB VAL A 56 1.700 7.736 -2.645 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.382 6.391 -3.334 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.012 8.376 -3.156 1.00 0.00 C ATOM 0 H VAL A 56 1.435 10.293 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 56 0.236 8.438 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 56 1.818 7.524 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.196 5.689 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.456 5.984 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.269 6.549 -4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.842 7.690 -2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.924 8.584 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.196 9.307 -2.619 1.00 0.00 H new ATOM 784 N GLY A 57 -1.460 7.769 -1.911 1.00 0.00 N ATOM 785 CA GLY A 57 -2.523 7.704 -0.960 1.00 0.00 C ATOM 786 C GLY A 57 -2.782 6.248 -1.028 1.00 0.00 C ATOM 787 O GLY A 57 -2.362 5.608 -1.993 1.00 0.00 O ATOM 0 H GLY A 57 -1.527 7.080 -2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.223 8.035 0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.387 8.302 -1.248 1.00 0.00 H new ATOM 791 N ILE A 58 -3.403 5.704 0.032 1.00 0.00 N ATOM 792 CA ILE A 58 -3.225 4.343 0.448 1.00 0.00 C ATOM 793 C ILE A 58 -4.532 4.007 1.100 1.00 0.00 C ATOM 794 O ILE A 58 -5.592 4.422 0.627 1.00 0.00 O ATOM 795 CB ILE A 58 -2.041 4.223 1.398 1.00 0.00 C ATOM 796 CG1 ILE A 58 -2.016 5.317 2.495 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.755 4.218 0.553 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.014 5.006 3.605 1.00 0.00 C ATOM 0 H ILE A 58 -4.051 6.226 0.621 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.993 3.658 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.130 3.289 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.766 6.276 2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.012 5.418 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.111 4.133 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.774 3.372 -0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.690 5.146 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.035 5.803 4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.278 4.061 4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.013 4.932 3.181 1.00 0.00 H new ATOM 810 N ILE A 59 -4.499 3.250 2.222 1.00 0.00 N ATOM 811 CA ILE A 59 -5.662 2.995 3.026 1.00 0.00 C ATOM 812 C ILE A 59 -6.043 4.303 3.663 1.00 0.00 C ATOM 813 O ILE A 59 -5.212 5.044 4.184 1.00 0.00 O ATOM 814 CB ILE A 59 -5.544 1.914 4.097 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.760 0.676 3.612 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.965 1.528 4.581 1.00 0.00 C ATOM 817 CD1 ILE A 59 -5.417 -0.132 2.499 1.00 0.00 C ATOM 0 H ILE A 59 -3.650 2.809 2.575 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.417 2.591 2.352 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.969 2.320 4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.779 1.003 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.595 0.017 4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.891 0.756 5.347 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.459 2.406 4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.546 1.150 3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.780 -0.977 2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.385 -0.499 2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.557 0.502 1.623 1.00 0.00 H new ATOM 829 N VAL A 60 -7.333 4.602 3.557 1.00 0.00 N ATOM 830 CA VAL A 60 -8.021 5.778 3.939 1.00 0.00 C ATOM 831 C VAL A 60 -9.212 4.966 4.326 1.00 0.00 C ATOM 832 O VAL A 60 -9.495 4.007 3.609 1.00 0.00 O ATOM 833 CB VAL A 60 -8.254 6.622 2.693 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.467 7.552 2.827 1.00 0.00 C ATOM 835 CG2 VAL A 60 -6.952 7.385 2.368 1.00 0.00 C ATOM 0 H VAL A 60 -7.978 3.926 3.148 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.618 6.491 4.658 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.501 5.966 1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.586 8.130 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.364 6.957 3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.314 8.231 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.101 7.995 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.687 8.027 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.147 6.672 2.189 1.00 0.00 H new