USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 463 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 56 TYR OH : rot 165:sc= -0.921 USER MOD Set 1.2: A 60 SER OG : rot 150:sc= 0.0334 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -164:sc= -0.0412 (180deg=-0.349) USER MOD Set 2.2: A 40 ASN :FLIP amide:sc= -4.11 F(o=-4.7!,f=-4.2) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 138:sc= 0.123 (180deg=-0.0175) USER MOD Single : A 28 TYR OH : rot -34:sc= 0.543! USER MOD Single : A 36 HIS : no HD1:sc= -2.69! C(o=-2.7!,f=-3.4!) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc=-0.00607 (180deg=-0.16) USER MOD Single : A 46 THR OG1 : rot 160:sc= -0.157 USER MOD Single : A 50 LYS NZ :NH3+ 140:sc= -0.329 (180deg=-1.36!) USER MOD Single : A 54 THR OG1 : rot 80:sc= 0.266 USER MOD Single : A 61 ASN : amide:sc= -0.0776 K(o=-0.078,f=-1.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc=-0.00516 K(o=-0.0052,f=-1.5!) USER MOD Single : A 68 TYR OH : rot -83:sc= 0.75 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -2.059 -6.654 5.680 1.00 0.00 N ATOM 67 CA ASP A 8 -3.150 -5.833 5.168 1.00 0.00 C ATOM 68 C ASP A 8 -2.610 -4.611 4.432 1.00 0.00 C ATOM 69 O ASP A 8 -1.642 -3.987 4.868 1.00 0.00 O ATOM 70 CB ASP A 8 -4.064 -5.392 6.312 1.00 0.00 C ATOM 71 CG ASP A 8 -5.059 -6.466 6.706 1.00 0.00 C ATOM 72 OD1 ASP A 8 -6.150 -6.514 6.102 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.745 -7.259 7.619 1.00 0.00 O ATOM 0 HA ASP A 8 -3.726 -6.434 4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.456 -5.129 7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.603 -4.492 6.016 1.00 0.00 H new ATOM 78 N TYR A 9 -3.242 -4.275 3.313 1.00 0.00 N ATOM 79 CA TYR A 9 -2.824 -3.129 2.513 1.00 0.00 C ATOM 80 C TYR A 9 -2.688 -1.881 3.379 1.00 0.00 C ATOM 81 O TYR A 9 -1.641 -1.234 3.397 1.00 0.00 O ATOM 82 CB TYR A 9 -3.825 -2.875 1.385 1.00 0.00 C ATOM 83 CG TYR A 9 -3.999 -4.053 0.453 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.924 -4.870 0.126 1.00 0.00 C ATOM 85 CD2 TYR A 9 -5.239 -4.349 -0.101 1.00 0.00 C ATOM 86 CE1 TYR A 9 -3.078 -5.947 -0.725 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.402 -5.424 -0.952 1.00 0.00 C ATOM 88 CZ TYR A 9 -4.319 -6.220 -1.261 1.00 0.00 C ATOM 89 OH TYR A 9 -4.478 -7.292 -2.110 1.00 0.00 O ATOM 0 H TYR A 9 -4.046 -4.780 2.939 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.850 -3.356 2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.792 -2.620 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.497 -2.011 0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.951 -4.659 0.544 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.089 -3.728 0.138 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.232 -6.572 -0.969 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.373 -5.640 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.413 -7.345 -2.398 1.00 0.00 H new ATOM 99 N TYR A 10 -3.756 -1.548 4.096 1.00 0.00 N ATOM 100 CA TYR A 10 -3.759 -0.376 4.964 1.00 0.00 C ATOM 101 C TYR A 10 -2.510 -0.343 5.839 1.00 0.00 C ATOM 102 O TYR A 10 -1.958 0.723 6.112 1.00 0.00 O ATOM 103 CB TYR A 10 -5.011 -0.369 5.842 1.00 0.00 C ATOM 104 CG TYR A 10 -6.275 -0.013 5.093 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.372 1.175 4.380 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.372 -0.866 5.097 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.525 1.504 3.694 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.528 -0.546 4.413 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.601 0.641 3.713 1.00 0.00 C ATOM 110 OH TYR A 10 -9.751 0.964 3.030 1.00 0.00 O ATOM 0 H TYR A 10 -4.631 -2.073 4.093 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.761 0.512 4.332 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.132 -1.353 6.295 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.869 0.341 6.656 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.532 1.853 4.362 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.319 -1.795 5.645 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.584 2.432 3.145 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.371 -1.221 4.426 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.411 0.249 3.145 1.00 0.00 H new ATOM 120 N GLU A 11 -2.069 -1.519 6.274 1.00 0.00 N ATOM 121 CA GLU A 11 -0.885 -1.625 7.119 1.00 0.00 C ATOM 122 C GLU A 11 0.381 -1.325 6.321 1.00 0.00 C ATOM 123 O GLU A 11 1.148 -0.427 6.668 1.00 0.00 O ATOM 124 CB GLU A 11 -0.794 -3.023 7.735 1.00 0.00 C ATOM 125 CG GLU A 11 -1.691 -3.213 8.946 1.00 0.00 C ATOM 126 CD GLU A 11 -1.179 -4.287 9.887 1.00 0.00 C ATOM 127 OE1 GLU A 11 0.007 -4.222 10.272 1.00 0.00 O ATOM 128 OE2 GLU A 11 -1.965 -5.192 10.239 1.00 0.00 O ATOM 0 H GLU A 11 -2.513 -2.411 6.056 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.973 -0.889 7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.057 -3.762 6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.239 -3.217 8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.771 -2.270 9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.695 -3.475 8.613 1.00 0.00 H new ATOM 135 N ILE A 12 0.592 -2.084 5.251 1.00 0.00 N ATOM 136 CA ILE A 12 1.764 -1.900 4.403 1.00 0.00 C ATOM 137 C ILE A 12 2.077 -0.420 4.213 1.00 0.00 C ATOM 138 O ILE A 12 3.237 -0.008 4.263 1.00 0.00 O ATOM 139 CB ILE A 12 1.568 -2.555 3.023 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.353 -4.062 3.174 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.767 -2.272 2.129 1.00 0.00 C ATOM 142 CD1 ILE A 12 0.900 -4.739 1.900 1.00 0.00 C ATOM 0 H ILE A 12 -0.033 -2.832 4.951 1.00 0.00 H new ATOM 0 HA ILE A 12 2.600 -2.383 4.909 1.00 0.00 H new ATOM 0 HB ILE A 12 0.681 -2.127 2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.283 -4.522 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.611 -4.239 3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.615 -2.741 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.878 -1.195 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.668 -2.677 2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.768 -5.806 2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.046 -4.306 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.651 -4.594 1.124 1.00 0.00 H new ATOM 154 N LEU A 13 1.036 0.376 3.994 1.00 0.00 N ATOM 155 CA LEU A 13 1.199 1.812 3.797 1.00 0.00 C ATOM 156 C LEU A 13 1.338 2.532 5.135 1.00 0.00 C ATOM 157 O LEU A 13 2.101 3.489 5.260 1.00 0.00 O ATOM 158 CB LEU A 13 0.009 2.378 3.021 1.00 0.00 C ATOM 159 CG LEU A 13 -0.340 1.666 1.714 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.691 2.132 1.196 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.744 1.902 0.672 1.00 0.00 C ATOM 0 H LEU A 13 0.070 0.051 3.948 1.00 0.00 H new ATOM 0 HA LEU A 13 2.110 1.975 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.867 2.354 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.212 3.426 2.798 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.400 0.596 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.922 1.614 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.460 1.910 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.661 3.207 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.479 1.388 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.836 2.971 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.694 1.517 1.042 1.00 0.00 H new ATOM 173 N GLY A 14 0.595 2.064 6.133 1.00 0.00 N ATOM 174 CA GLY A 14 0.651 2.674 7.449 1.00 0.00 C ATOM 175 C GLY A 14 -0.462 3.679 7.670 1.00 0.00 C ATOM 176 O GLY A 14 -0.210 4.822 8.053 1.00 0.00 O ATOM 0 H GLY A 14 -0.045 1.273 6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.590 1.896 8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.614 3.169 7.576 1.00 0.00 H new ATOM 180 N VAL A 15 -1.698 3.255 7.426 1.00 0.00 N ATOM 181 CA VAL A 15 -2.854 4.126 7.600 1.00 0.00 C ATOM 182 C VAL A 15 -4.024 3.369 8.219 1.00 0.00 C ATOM 183 O VAL A 15 -3.965 2.153 8.398 1.00 0.00 O ATOM 184 CB VAL A 15 -3.303 4.737 6.260 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.189 5.580 5.658 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.736 3.644 5.295 1.00 0.00 C ATOM 0 H VAL A 15 -1.924 2.313 7.107 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.548 4.928 8.272 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.159 5.387 6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.524 6.004 4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.931 6.386 6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.313 4.955 5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.050 4.094 4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.901 2.967 5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.568 3.087 5.726 1.00 0.00 H new ATOM 196 N SER A 16 -5.088 4.098 8.542 1.00 0.00 N ATOM 197 CA SER A 16 -6.272 3.496 9.144 1.00 0.00 C ATOM 198 C SER A 16 -7.148 2.840 8.081 1.00 0.00 C ATOM 199 O SER A 16 -6.985 3.090 6.886 1.00 0.00 O ATOM 200 CB SER A 16 -7.077 4.552 9.903 1.00 0.00 C ATOM 201 OG SER A 16 -6.444 4.895 11.124 1.00 0.00 O ATOM 0 H SER A 16 -5.154 5.105 8.397 1.00 0.00 H new ATOM 0 HA SER A 16 -5.943 2.728 9.844 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.189 5.443 9.285 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.080 4.175 10.103 1.00 0.00 H new ATOM 0 HG SER A 16 -6.977 5.573 11.590 1.00 0.00 H new ATOM 207 N ARG A 17 -8.077 2.000 8.524 1.00 0.00 N ATOM 208 CA ARG A 17 -8.978 1.307 7.612 1.00 0.00 C ATOM 209 C ARG A 17 -10.096 2.234 7.144 1.00 0.00 C ATOM 210 O ARG A 17 -11.047 2.496 7.878 1.00 0.00 O ATOM 211 CB ARG A 17 -9.575 0.073 8.291 1.00 0.00 C ATOM 212 CG ARG A 17 -8.560 -1.027 8.556 1.00 0.00 C ATOM 213 CD ARG A 17 -9.240 -2.328 8.955 1.00 0.00 C ATOM 214 NE ARG A 17 -8.338 -3.472 8.849 1.00 0.00 N ATOM 215 CZ ARG A 17 -8.539 -4.627 9.474 1.00 0.00 C ATOM 216 NH1 ARG A 17 -9.605 -4.790 10.245 1.00 0.00 N ATOM 217 NH2 ARG A 17 -7.673 -5.621 9.327 1.00 0.00 N ATOM 0 H ARG A 17 -8.225 1.783 9.509 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.402 0.992 6.742 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.029 0.372 9.236 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.374 -0.325 7.665 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.956 -1.190 7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.880 -0.713 9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.604 -2.247 9.979 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.110 -2.492 8.319 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.508 -3.379 8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.273 -4.028 10.359 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.757 -5.678 10.724 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.852 -5.499 8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.828 -6.508 9.807 1.00 0.00 H new ATOM 231 N GLY A 18 -9.974 2.726 5.915 1.00 0.00 N ATOM 232 CA GLY A 18 -10.980 3.619 5.370 1.00 0.00 C ATOM 233 C GLY A 18 -10.406 4.961 4.962 1.00 0.00 C ATOM 234 O GLY A 18 -11.143 5.929 4.778 1.00 0.00 O ATOM 0 H GLY A 18 -9.197 2.522 5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.447 3.149 4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.764 3.773 6.111 1.00 0.00 H new ATOM 238 N ALA A 19 -9.085 5.020 4.824 1.00 0.00 N ATOM 239 CA ALA A 19 -8.412 6.253 4.436 1.00 0.00 C ATOM 240 C ALA A 19 -8.762 6.642 3.003 1.00 0.00 C ATOM 241 O ALA A 19 -8.825 5.791 2.117 1.00 0.00 O ATOM 242 CB ALA A 19 -6.906 6.104 4.592 1.00 0.00 C ATOM 0 H ALA A 19 -8.460 4.228 4.975 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.757 7.049 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.416 7.033 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.668 5.881 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.553 5.291 3.957 1.00 0.00 H new ATOM 248 N SER A 20 -8.988 7.934 2.784 1.00 0.00 N ATOM 249 CA SER A 20 -9.336 8.435 1.460 1.00 0.00 C ATOM 250 C SER A 20 -8.131 8.385 0.526 1.00 0.00 C ATOM 251 O SER A 20 -6.991 8.245 0.972 1.00 0.00 O ATOM 252 CB SER A 20 -9.862 9.868 1.555 1.00 0.00 C ATOM 253 OG SER A 20 -8.837 10.762 1.952 1.00 0.00 O ATOM 0 H SER A 20 -8.936 8.652 3.507 1.00 0.00 H new ATOM 0 HA SER A 20 -10.118 7.795 1.051 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.264 10.176 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.683 9.911 2.270 1.00 0.00 H new ATOM 0 HG SER A 20 -9.198 11.672 2.004 1.00 0.00 H new ATOM 259 N ASP A 21 -8.390 8.499 -0.772 1.00 0.00 N ATOM 260 CA ASP A 21 -7.327 8.468 -1.770 1.00 0.00 C ATOM 261 C ASP A 21 -6.189 9.406 -1.380 1.00 0.00 C ATOM 262 O ASP A 21 -5.025 9.008 -1.359 1.00 0.00 O ATOM 263 CB ASP A 21 -7.877 8.857 -3.143 1.00 0.00 C ATOM 264 CG ASP A 21 -6.833 8.746 -4.237 1.00 0.00 C ATOM 265 OD1 ASP A 21 -5.639 8.957 -3.940 1.00 0.00 O ATOM 266 OD2 ASP A 21 -7.210 8.448 -5.390 1.00 0.00 O ATOM 0 H ASP A 21 -9.327 8.614 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.936 7.452 -1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.724 8.216 -3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.252 9.880 -3.105 1.00 0.00 H new ATOM 271 N GLU A 22 -6.534 10.653 -1.074 1.00 0.00 N ATOM 272 CA GLU A 22 -5.539 11.647 -0.688 1.00 0.00 C ATOM 273 C GLU A 22 -4.570 11.075 0.342 1.00 0.00 C ATOM 274 O GLU A 22 -3.374 10.944 0.079 1.00 0.00 O ATOM 275 CB GLU A 22 -6.225 12.893 -0.122 1.00 0.00 C ATOM 276 CG GLU A 22 -5.337 14.126 -0.116 1.00 0.00 C ATOM 277 CD GLU A 22 -5.895 15.243 0.744 1.00 0.00 C ATOM 278 OE1 GLU A 22 -6.772 15.985 0.255 1.00 0.00 O ATOM 279 OE2 GLU A 22 -5.456 15.375 1.905 1.00 0.00 O ATOM 0 H GLU A 22 -7.494 10.999 -1.086 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.974 11.924 -1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.120 13.103 -0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.552 12.686 0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.346 13.854 0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.214 14.486 -1.138 1.00 0.00 H new ATOM 286 N ASP A 23 -5.094 10.736 1.515 1.00 0.00 N ATOM 287 CA ASP A 23 -4.276 10.177 2.585 1.00 0.00 C ATOM 288 C ASP A 23 -3.392 9.049 2.061 1.00 0.00 C ATOM 289 O ASP A 23 -2.165 9.126 2.127 1.00 0.00 O ATOM 290 CB ASP A 23 -5.164 9.661 3.718 1.00 0.00 C ATOM 291 CG ASP A 23 -5.451 10.725 4.760 1.00 0.00 C ATOM 292 OD1 ASP A 23 -5.342 11.924 4.428 1.00 0.00 O ATOM 293 OD2 ASP A 23 -5.784 10.359 5.906 1.00 0.00 O ATOM 0 H ASP A 23 -6.082 10.839 1.749 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.633 10.969 2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.105 9.300 3.303 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.680 8.810 4.196 1.00 0.00 H new ATOM 298 N LEU A 24 -4.024 8.002 1.542 1.00 0.00 N ATOM 299 CA LEU A 24 -3.295 6.857 1.007 1.00 0.00 C ATOM 300 C LEU A 24 -2.043 7.308 0.261 1.00 0.00 C ATOM 301 O LEU A 24 -0.957 6.764 0.462 1.00 0.00 O ATOM 302 CB LEU A 24 -4.194 6.046 0.073 1.00 0.00 C ATOM 303 CG LEU A 24 -5.448 5.441 0.707 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.551 5.290 -0.329 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.127 4.097 1.345 1.00 0.00 C ATOM 0 H LEU A 24 -5.039 7.922 1.480 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.990 6.229 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.502 6.689 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.602 5.238 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.800 6.117 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.435 4.858 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.800 6.268 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.210 4.635 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.030 3.681 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.750 3.414 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.370 4.232 2.118 1.00 0.00 H new ATOM 317 N LYS A 25 -2.202 8.308 -0.599 1.00 0.00 N ATOM 318 CA LYS A 25 -1.085 8.837 -1.373 1.00 0.00 C ATOM 319 C LYS A 25 0.022 9.344 -0.455 1.00 0.00 C ATOM 320 O LYS A 25 1.127 8.800 -0.438 1.00 0.00 O ATOM 321 CB LYS A 25 -1.561 9.968 -2.287 1.00 0.00 C ATOM 322 CG LYS A 25 -0.443 10.618 -3.084 1.00 0.00 C ATOM 323 CD LYS A 25 -0.020 9.752 -4.259 1.00 0.00 C ATOM 324 CE LYS A 25 -0.966 9.915 -5.440 1.00 0.00 C ATOM 325 NZ LYS A 25 -0.606 11.090 -6.281 1.00 0.00 N ATOM 0 H LYS A 25 -3.094 8.769 -0.778 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.684 8.028 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.307 9.576 -2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.055 10.729 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.773 11.591 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.414 10.794 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.992 10.018 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.004 8.706 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.945 9.012 -6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.987 10.029 -5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.274 11.167 -7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.651 11.955 -5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.359 10.970 -6.651 1.00 0.00 H new ATOM 339 N LYS A 26 -0.281 10.387 0.310 1.00 0.00 N ATOM 340 CA LYS A 26 0.687 10.967 1.234 1.00 0.00 C ATOM 341 C LYS A 26 1.517 9.877 1.906 1.00 0.00 C ATOM 342 O LYS A 26 2.747 9.915 1.879 1.00 0.00 O ATOM 343 CB LYS A 26 -0.028 11.806 2.295 1.00 0.00 C ATOM 344 CG LYS A 26 -0.253 13.249 1.880 1.00 0.00 C ATOM 345 CD LYS A 26 -1.589 13.426 1.177 1.00 0.00 C ATOM 346 CE LYS A 26 -1.875 14.891 0.885 1.00 0.00 C ATOM 347 NZ LYS A 26 -2.266 15.636 2.114 1.00 0.00 N ATOM 0 H LYS A 26 -1.191 10.849 0.308 1.00 0.00 H new ATOM 0 HA LYS A 26 1.357 11.610 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.991 11.347 2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.557 11.788 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.216 13.891 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.552 13.568 1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.588 12.861 0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.385 13.015 1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.991 15.353 0.446 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.673 14.965 0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.798 16.565 2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.298 15.768 2.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.976 15.096 2.954 1.00 0.00 H new ATOM 361 N ALA A 27 0.836 8.907 2.507 1.00 0.00 N ATOM 362 CA ALA A 27 1.511 7.806 3.183 1.00 0.00 C ATOM 363 C ALA A 27 2.365 7.004 2.207 1.00 0.00 C ATOM 364 O ALA A 27 3.536 6.730 2.472 1.00 0.00 O ATOM 365 CB ALA A 27 0.493 6.902 3.863 1.00 0.00 C ATOM 0 H ALA A 27 -0.182 8.861 2.540 1.00 0.00 H new ATOM 0 HA ALA A 27 2.171 8.227 3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.010 6.084 4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.072 7.477 4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.190 6.496 3.116 1.00 0.00 H new ATOM 371 N TYR A 28 1.773 6.630 1.079 1.00 0.00 N ATOM 372 CA TYR A 28 2.479 5.857 0.064 1.00 0.00 C ATOM 373 C TYR A 28 3.789 6.535 -0.324 1.00 0.00 C ATOM 374 O TYR A 28 4.851 5.911 -0.315 1.00 0.00 O ATOM 375 CB TYR A 28 1.599 5.675 -1.174 1.00 0.00 C ATOM 376 CG TYR A 28 2.300 4.979 -2.318 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.825 3.702 -2.164 1.00 0.00 C ATOM 378 CD2 TYR A 28 2.437 5.598 -3.554 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.467 3.063 -3.206 1.00 0.00 C ATOM 380 CE2 TYR A 28 3.077 4.966 -4.603 1.00 0.00 C ATOM 381 CZ TYR A 28 3.590 3.698 -4.424 1.00 0.00 C ATOM 382 OH TYR A 28 4.228 3.064 -5.466 1.00 0.00 O ATOM 0 H TYR A 28 0.805 6.850 0.844 1.00 0.00 H new ATOM 0 HA TYR A 28 2.708 4.878 0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.714 5.102 -0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.254 6.652 -1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.729 3.200 -1.212 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.036 6.591 -3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.871 2.071 -3.068 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.175 5.462 -5.557 1.00 0.00 H new ATOM 0 HH TYR A 28 4.955 2.508 -5.115 1.00 0.00 H new ATOM 392 N ARG A 29 3.706 7.817 -0.663 1.00 0.00 N ATOM 393 CA ARG A 29 4.884 8.582 -1.055 1.00 0.00 C ATOM 394 C ARG A 29 5.962 8.510 0.022 1.00 0.00 C ATOM 395 O ARG A 29 7.046 7.972 -0.206 1.00 0.00 O ATOM 396 CB ARG A 29 4.507 10.041 -1.318 1.00 0.00 C ATOM 397 CG ARG A 29 3.683 10.240 -2.580 1.00 0.00 C ATOM 398 CD ARG A 29 3.918 11.614 -3.187 1.00 0.00 C ATOM 399 NE ARG A 29 5.144 11.660 -3.980 1.00 0.00 N ATOM 400 CZ ARG A 29 5.498 12.701 -4.726 1.00 0.00 C ATOM 401 NH1 ARG A 29 4.724 13.776 -4.780 1.00 0.00 N ATOM 402 NH2 ARG A 29 6.629 12.668 -5.419 1.00 0.00 N ATOM 0 H ARG A 29 2.835 8.348 -0.674 1.00 0.00 H new ATOM 0 HA ARG A 29 5.281 8.146 -1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.946 10.422 -0.464 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.418 10.635 -1.392 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.939 9.471 -3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.625 10.120 -2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.069 11.882 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.973 12.357 -2.391 1.00 0.00 H new ATOM 0 HE ARG A 29 5.762 10.849 -3.960 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.854 13.805 -4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.998 14.574 -5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.228 11.843 -5.379 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.900 13.468 -5.991 1.00 0.00 H new ATOM 416 N ARG A 30 5.657 9.056 1.195 1.00 0.00 N ATOM 417 CA ARG A 30 6.600 9.055 2.306 1.00 0.00 C ATOM 418 C ARG A 30 7.402 7.757 2.338 1.00 0.00 C ATOM 419 O ARG A 30 8.591 7.758 2.659 1.00 0.00 O ATOM 420 CB ARG A 30 5.860 9.242 3.632 1.00 0.00 C ATOM 421 CG ARG A 30 6.727 8.994 4.855 1.00 0.00 C ATOM 422 CD ARG A 30 6.236 9.785 6.056 1.00 0.00 C ATOM 423 NE ARG A 30 7.324 10.126 6.969 1.00 0.00 N ATOM 424 CZ ARG A 30 7.157 10.839 8.077 1.00 0.00 C ATOM 425 NH1 ARG A 30 5.953 11.285 8.408 1.00 0.00 N ATOM 426 NH2 ARG A 30 8.196 11.108 8.857 1.00 0.00 N ATOM 0 H ARG A 30 4.764 9.505 1.400 1.00 0.00 H new ATOM 0 HA ARG A 30 7.291 9.886 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.465 10.257 3.677 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.006 8.566 3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.726 7.930 5.093 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.758 9.270 4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.750 10.699 5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.484 9.204 6.590 1.00 0.00 H new ATOM 0 HE ARG A 30 8.263 9.799 6.743 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.152 11.081 7.811 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.828 11.832 9.260 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.124 10.767 8.606 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.067 11.656 9.708 1.00 0.00 H new ATOM 440 N LEU A 31 6.744 6.653 2.003 1.00 0.00 N ATOM 441 CA LEU A 31 7.395 5.348 1.993 1.00 0.00 C ATOM 442 C LEU A 31 8.231 5.166 0.731 1.00 0.00 C ATOM 443 O LEU A 31 9.442 4.957 0.801 1.00 0.00 O ATOM 444 CB LEU A 31 6.351 4.234 2.092 1.00 0.00 C ATOM 445 CG LEU A 31 5.423 4.291 3.306 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.357 3.210 3.213 1.00 0.00 C ATOM 447 CD2 LEU A 31 6.220 4.147 4.594 1.00 0.00 C ATOM 0 H LEU A 31 5.760 6.635 1.735 1.00 0.00 H new ATOM 0 HA LEU A 31 8.058 5.294 2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.739 4.256 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.871 3.276 2.101 1.00 0.00 H new ATOM 0 HG LEU A 31 4.928 5.262 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.706 3.265 4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.766 3.358 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.834 2.231 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.543 4.190 5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.743 3.191 4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.946 4.957 4.665 1.00 0.00 H new ATOM 459 N ALA A 32 7.577 5.248 -0.423 1.00 0.00 N ATOM 460 CA ALA A 32 8.260 5.096 -1.702 1.00 0.00 C ATOM 461 C ALA A 32 9.635 5.757 -1.671 1.00 0.00 C ATOM 462 O ALA A 32 10.640 5.138 -2.022 1.00 0.00 O ATOM 463 CB ALA A 32 7.416 5.681 -2.824 1.00 0.00 C ATOM 0 H ALA A 32 6.574 5.419 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 32 8.401 4.031 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.938 5.560 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.459 5.161 -2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.245 6.741 -2.636 1.00 0.00 H new ATOM 469 N LEU A 33 9.671 7.016 -1.250 1.00 0.00 N ATOM 470 CA LEU A 33 10.923 7.762 -1.175 1.00 0.00 C ATOM 471 C LEU A 33 11.918 7.063 -0.253 1.00 0.00 C ATOM 472 O LEU A 33 13.116 7.022 -0.532 1.00 0.00 O ATOM 473 CB LEU A 33 10.662 9.185 -0.678 1.00 0.00 C ATOM 474 CG LEU A 33 9.947 10.117 -1.656 1.00 0.00 C ATOM 475 CD1 LEU A 33 8.441 10.049 -1.453 1.00 0.00 C ATOM 476 CD2 LEU A 33 10.445 11.545 -1.493 1.00 0.00 C ATOM 0 H LEU A 33 8.848 7.542 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 33 11.352 7.806 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.070 9.126 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.618 9.636 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 33 10.172 9.789 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.948 10.719 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.097 9.029 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.197 10.351 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.925 12.194 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.251 11.884 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.517 11.581 -1.689 1.00 0.00 H new ATOM 488 N LYS A 34 11.412 6.512 0.845 1.00 0.00 N ATOM 489 CA LYS A 34 12.255 5.811 1.807 1.00 0.00 C ATOM 490 C LYS A 34 12.653 4.436 1.281 1.00 0.00 C ATOM 491 O LYS A 34 13.680 3.883 1.674 1.00 0.00 O ATOM 492 CB LYS A 34 11.525 5.666 3.144 1.00 0.00 C ATOM 493 CG LYS A 34 12.323 4.911 4.194 1.00 0.00 C ATOM 494 CD LYS A 34 12.045 3.418 4.138 1.00 0.00 C ATOM 495 CE LYS A 34 12.893 2.656 5.145 1.00 0.00 C ATOM 496 NZ LYS A 34 14.350 2.845 4.900 1.00 0.00 N ATOM 0 H LYS A 34 10.422 6.537 1.091 1.00 0.00 H new ATOM 0 HA LYS A 34 13.160 6.399 1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.284 6.658 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.579 5.150 2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.387 5.090 4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.074 5.292 5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.989 3.236 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.248 3.046 3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.648 2.991 6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.651 1.594 5.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.886 2.117 5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.544 2.763 3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.639 3.787 5.233 1.00 0.00 H new ATOM 510 N PHE A 35 11.833 3.888 0.389 1.00 0.00 N ATOM 511 CA PHE A 35 12.100 2.577 -0.191 1.00 0.00 C ATOM 512 C PHE A 35 12.388 2.692 -1.685 1.00 0.00 C ATOM 513 O PHE A 35 12.249 1.723 -2.432 1.00 0.00 O ATOM 514 CB PHE A 35 10.912 1.642 0.040 1.00 0.00 C ATOM 515 CG PHE A 35 10.615 1.398 1.492 1.00 0.00 C ATOM 516 CD1 PHE A 35 11.493 0.670 2.279 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.458 1.895 2.070 1.00 0.00 C ATOM 518 CE1 PHE A 35 11.223 0.443 3.616 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.184 1.672 3.406 1.00 0.00 C ATOM 520 CZ PHE A 35 10.066 0.944 4.180 1.00 0.00 C ATOM 0 H PHE A 35 10.978 4.332 0.053 1.00 0.00 H new ATOM 0 HA PHE A 35 12.980 2.163 0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.028 2.066 -0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.111 0.688 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.399 0.275 1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.763 2.463 1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.916 -0.125 4.219 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.280 2.067 3.845 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.852 0.767 5.224 1.00 0.00 H new ATOM 530 N HIS A 36 12.790 3.885 -2.114 1.00 0.00 N ATOM 531 CA HIS A 36 13.098 4.128 -3.519 1.00 0.00 C ATOM 532 C HIS A 36 14.495 3.620 -3.865 1.00 0.00 C ATOM 533 O HIS A 36 15.439 3.749 -3.085 1.00 0.00 O ATOM 534 CB HIS A 36 12.992 5.620 -3.836 1.00 0.00 C ATOM 535 CG HIS A 36 12.577 5.904 -5.247 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.402 6.523 -6.163 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.418 5.651 -5.897 1.00 0.00 C ATOM 538 CE1 HIS A 36 12.767 6.638 -7.316 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.561 6.116 -7.181 1.00 0.00 N ATOM 0 H HIS A 36 12.910 4.698 -1.509 1.00 0.00 H new ATOM 0 HA HIS A 36 12.373 3.584 -4.124 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.274 6.078 -3.156 1.00 0.00 H new ATOM 0 HB3 HIS A 36 13.956 6.093 -3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.543 5.172 -5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.166 7.083 -8.216 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.851 6.066 -7.912 1.00 0.00 H new ATOM 547 N PRO A 37 14.631 3.028 -5.061 1.00 0.00 N ATOM 548 CA PRO A 37 15.908 2.489 -5.536 1.00 0.00 C ATOM 549 C PRO A 37 16.918 3.587 -5.856 1.00 0.00 C ATOM 550 O PRO A 37 18.128 3.370 -5.786 1.00 0.00 O ATOM 551 CB PRO A 37 15.522 1.732 -6.809 1.00 0.00 C ATOM 552 CG PRO A 37 14.274 2.395 -7.280 1.00 0.00 C ATOM 553 CD PRO A 37 13.548 2.840 -6.041 1.00 0.00 C ATOM 0 HA PRO A 37 16.393 1.867 -4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.310 1.792 -7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.356 0.674 -6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.503 3.244 -7.924 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.663 1.707 -7.864 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.994 3.763 -6.210 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.828 2.093 -5.706 1.00 0.00 H new ATOM 561 N ASP A 38 16.413 4.765 -6.205 1.00 0.00 N ATOM 562 CA ASP A 38 17.271 5.897 -6.534 1.00 0.00 C ATOM 563 C ASP A 38 17.678 6.654 -5.273 1.00 0.00 C ATOM 564 O ASP A 38 18.843 7.010 -5.098 1.00 0.00 O ATOM 565 CB ASP A 38 16.557 6.841 -7.503 1.00 0.00 C ATOM 566 CG ASP A 38 17.525 7.683 -8.310 1.00 0.00 C ATOM 567 OD1 ASP A 38 18.081 7.163 -9.301 1.00 0.00 O ATOM 568 OD2 ASP A 38 17.727 8.862 -7.952 1.00 0.00 O ATOM 0 H ASP A 38 15.414 4.961 -6.267 1.00 0.00 H new ATOM 0 HA ASP A 38 18.172 5.512 -7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.935 6.258 -8.181 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.890 7.496 -6.942 1.00 0.00 H new ATOM 573 N LYS A 39 16.709 6.899 -4.398 1.00 0.00 N ATOM 574 CA LYS A 39 16.964 7.614 -3.153 1.00 0.00 C ATOM 575 C LYS A 39 17.674 6.715 -2.146 1.00 0.00 C ATOM 576 O LYS A 39 18.731 7.066 -1.623 1.00 0.00 O ATOM 577 CB LYS A 39 15.652 8.129 -2.558 1.00 0.00 C ATOM 578 CG LYS A 39 14.788 8.884 -3.552 1.00 0.00 C ATOM 579 CD LYS A 39 13.646 9.610 -2.861 1.00 0.00 C ATOM 580 CE LYS A 39 12.748 10.319 -3.863 1.00 0.00 C ATOM 581 NZ LYS A 39 13.486 11.363 -4.627 1.00 0.00 N ATOM 0 H LYS A 39 15.739 6.613 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 39 17.611 8.462 -3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.085 7.285 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.877 8.783 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.401 9.603 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.385 8.188 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.057 8.897 -2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.049 10.336 -2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.330 9.589 -4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.909 10.777 -3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.810 11.946 -5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.018 11.966 -3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.147 10.907 -5.288 1.00 0.00 H new ATOM 595 N ASN A 40 17.086 5.554 -1.879 1.00 0.00 N ATOM 596 CA ASN A 40 17.663 4.604 -0.934 1.00 0.00 C ATOM 597 C ASN A 40 18.655 3.678 -1.632 1.00 0.00 C ATOM 598 O ASN A 40 18.298 2.955 -2.562 1.00 0.00 O ATOM 599 CB ASN A 40 16.559 3.779 -0.269 1.00 0.00 C ATOM 600 CG ASN A 40 16.929 3.345 1.136 1.00 0.00 C ATOM 601 OD1 ASN A 40 15.953 2.823 1.869 1.00 0.00 O flip ATOM 602 ND2 ASN A 40 18.078 3.477 1.556 1.00 0.00 N flip ATOM 0 H ASN A 40 16.210 5.248 -2.303 1.00 0.00 H new ATOM 0 HA ASN A 40 18.196 5.169 -0.169 1.00 0.00 H new ATOM 0 HB2 ASN A 40 15.641 4.366 -0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.352 2.898 -0.876 1.00 0.00 H new ATOM 0 HD21 ASN A 40 18.796 3.884 0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.312 3.180 2.503 1.00 0.00 H new ATOM 650 N GLY A 44 17.318 -4.220 0.510 1.00 0.00 N ATOM 651 CA GLY A 44 16.185 -4.575 1.345 1.00 0.00 C ATOM 652 C GLY A 44 15.129 -3.488 1.381 1.00 0.00 C ATOM 653 O GLY A 44 13.943 -3.771 1.551 1.00 0.00 O ATOM 0 HA2 GLY A 44 15.739 -5.498 0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.533 -4.773 2.359 1.00 0.00 H new ATOM 657 N ALA A 45 15.559 -2.241 1.223 1.00 0.00 N ATOM 658 CA ALA A 45 14.642 -1.108 1.238 1.00 0.00 C ATOM 659 C ALA A 45 13.829 -1.042 -0.050 1.00 0.00 C ATOM 660 O ALA A 45 12.610 -0.874 -0.020 1.00 0.00 O ATOM 661 CB ALA A 45 15.409 0.189 1.448 1.00 0.00 C ATOM 0 H ALA A 45 16.538 -1.989 1.083 1.00 0.00 H new ATOM 0 HA ALA A 45 13.948 -1.245 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.712 1.027 1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.939 0.148 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 45 16.126 0.323 0.638 1.00 0.00 H new ATOM 667 N THR A 46 14.513 -1.175 -1.183 1.00 0.00 N ATOM 668 CA THR A 46 13.855 -1.128 -2.483 1.00 0.00 C ATOM 669 C THR A 46 12.988 -2.362 -2.704 1.00 0.00 C ATOM 670 O THR A 46 11.886 -2.268 -3.244 1.00 0.00 O ATOM 671 CB THR A 46 14.880 -1.022 -3.628 1.00 0.00 C ATOM 672 OG1 THR A 46 15.848 -0.011 -3.327 1.00 0.00 O ATOM 673 CG2 THR A 46 14.190 -0.696 -4.943 1.00 0.00 C ATOM 0 H THR A 46 15.522 -1.316 -1.226 1.00 0.00 H new ATOM 0 HA THR A 46 13.225 -0.239 -2.487 1.00 0.00 H new ATOM 0 HB THR A 46 15.381 -1.985 -3.728 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.652 -0.157 -3.868 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.934 -0.626 -5.737 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.475 -1.483 -5.184 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.665 0.255 -4.853 1.00 0.00 H new ATOM 681 N GLU A 47 13.492 -3.518 -2.284 1.00 0.00 N ATOM 682 CA GLU A 47 12.762 -4.770 -2.438 1.00 0.00 C ATOM 683 C GLU A 47 11.387 -4.682 -1.783 1.00 0.00 C ATOM 684 O GLU A 47 10.489 -5.466 -2.091 1.00 0.00 O ATOM 685 CB GLU A 47 13.556 -5.928 -1.828 1.00 0.00 C ATOM 686 CG GLU A 47 14.692 -6.418 -2.710 1.00 0.00 C ATOM 687 CD GLU A 47 15.248 -7.753 -2.256 1.00 0.00 C ATOM 688 OE1 GLU A 47 14.624 -8.791 -2.561 1.00 0.00 O ATOM 689 OE2 GLU A 47 16.308 -7.761 -1.595 1.00 0.00 O ATOM 0 H GLU A 47 14.403 -3.613 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 47 12.627 -4.953 -3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.963 -5.612 -0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.878 -6.758 -1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.338 -6.507 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.492 -5.677 -2.711 1.00 0.00 H new ATOM 696 N ALA A 48 11.229 -3.722 -0.877 1.00 0.00 N ATOM 697 CA ALA A 48 9.964 -3.529 -0.180 1.00 0.00 C ATOM 698 C ALA A 48 9.014 -2.659 -0.995 1.00 0.00 C ATOM 699 O ALA A 48 7.815 -2.926 -1.063 1.00 0.00 O ATOM 700 CB ALA A 48 10.205 -2.911 1.190 1.00 0.00 C ATOM 0 H ALA A 48 11.962 -3.066 -0.609 1.00 0.00 H new ATOM 0 HA ALA A 48 9.498 -4.505 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.251 -2.772 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.839 -3.572 1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.697 -1.946 1.072 1.00 0.00 H new ATOM 706 N PHE A 49 9.559 -1.615 -1.613 1.00 0.00 N ATOM 707 CA PHE A 49 8.759 -0.704 -2.423 1.00 0.00 C ATOM 708 C PHE A 49 7.839 -1.477 -3.363 1.00 0.00 C ATOM 709 O PHE A 49 6.659 -1.153 -3.501 1.00 0.00 O ATOM 710 CB PHE A 49 9.668 0.225 -3.231 1.00 0.00 C ATOM 711 CG PHE A 49 8.919 1.139 -4.158 1.00 0.00 C ATOM 712 CD1 PHE A 49 7.745 1.752 -3.750 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.388 1.383 -5.439 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.053 2.593 -4.602 1.00 0.00 C ATOM 715 CE2 PHE A 49 8.701 2.224 -6.294 1.00 0.00 C ATOM 716 CZ PHE A 49 7.531 2.828 -5.876 1.00 0.00 C ATOM 0 H PHE A 49 10.550 -1.380 -1.568 1.00 0.00 H new ATOM 0 HA PHE A 49 8.143 -0.106 -1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.263 0.826 -2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.365 -0.378 -3.813 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.366 1.571 -2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.300 0.911 -5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.140 3.065 -4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.079 2.409 -7.289 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.991 3.483 -6.544 1.00 0.00 H new ATOM 726 N LYS A 50 8.387 -2.500 -4.009 1.00 0.00 N ATOM 727 CA LYS A 50 7.618 -3.321 -4.937 1.00 0.00 C ATOM 728 C LYS A 50 6.313 -3.786 -4.298 1.00 0.00 C ATOM 729 O LYS A 50 5.285 -3.888 -4.967 1.00 0.00 O ATOM 730 CB LYS A 50 8.441 -4.533 -5.380 1.00 0.00 C ATOM 731 CG LYS A 50 9.274 -4.280 -6.625 1.00 0.00 C ATOM 732 CD LYS A 50 8.502 -4.615 -7.890 1.00 0.00 C ATOM 733 CE LYS A 50 7.732 -3.410 -8.409 1.00 0.00 C ATOM 734 NZ LYS A 50 8.613 -2.222 -8.583 1.00 0.00 N ATOM 0 H LYS A 50 9.362 -2.781 -3.907 1.00 0.00 H new ATOM 0 HA LYS A 50 7.379 -2.713 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.101 -4.831 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.768 -5.370 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.582 -3.235 -6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.184 -4.879 -6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.193 -4.965 -8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.809 -5.432 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.266 -3.660 -9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.927 -3.167 -7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.353 -1.722 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.498 -1.583 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.604 -2.531 -8.643 1.00 0.00 H new ATOM 748 N ALA A 51 6.361 -4.065 -3.000 1.00 0.00 N ATOM 749 CA ALA A 51 5.182 -4.516 -2.270 1.00 0.00 C ATOM 750 C ALA A 51 4.216 -3.362 -2.024 1.00 0.00 C ATOM 751 O ALA A 51 3.012 -3.491 -2.248 1.00 0.00 O ATOM 752 CB ALA A 51 5.590 -5.156 -0.952 1.00 0.00 C ATOM 0 H ALA A 51 7.204 -3.987 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 51 4.670 -5.261 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.700 -5.488 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.236 -6.012 -1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.127 -4.427 -0.345 1.00 0.00 H new ATOM 758 N ILE A 52 4.750 -2.237 -1.561 1.00 0.00 N ATOM 759 CA ILE A 52 3.934 -1.061 -1.285 1.00 0.00 C ATOM 760 C ILE A 52 3.033 -0.727 -2.470 1.00 0.00 C ATOM 761 O ILE A 52 1.814 -0.872 -2.396 1.00 0.00 O ATOM 762 CB ILE A 52 4.806 0.164 -0.956 1.00 0.00 C ATOM 763 CG1 ILE A 52 5.933 -0.227 0.002 1.00 0.00 C ATOM 764 CG2 ILE A 52 3.955 1.274 -0.357 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.617 0.959 0.647 1.00 0.00 C ATOM 0 H ILE A 52 5.744 -2.115 -1.369 1.00 0.00 H new ATOM 0 HA ILE A 52 3.317 -1.301 -0.419 1.00 0.00 H new ATOM 0 HB ILE A 52 5.252 0.533 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.528 -0.871 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.675 -0.812 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.586 2.133 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.185 1.568 -1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.484 0.917 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.405 0.607 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.052 1.593 -0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.888 1.533 1.219 1.00 0.00 H new ATOM 777 N GLY A 53 3.644 -0.280 -3.563 1.00 0.00 N ATOM 778 CA GLY A 53 2.882 0.066 -4.749 1.00 0.00 C ATOM 779 C GLY A 53 1.683 -0.838 -4.952 1.00 0.00 C ATOM 780 O GLY A 53 0.594 -0.373 -5.290 1.00 0.00 O ATOM 0 H GLY A 53 4.652 -0.151 -3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.545 1.100 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.530 0.007 -5.623 1.00 0.00 H new ATOM 784 N THR A 54 1.882 -2.137 -4.749 1.00 0.00 N ATOM 785 CA THR A 54 0.810 -3.110 -4.915 1.00 0.00 C ATOM 786 C THR A 54 -0.402 -2.743 -4.067 1.00 0.00 C ATOM 787 O THR A 54 -1.528 -2.701 -4.561 1.00 0.00 O ATOM 788 CB THR A 54 1.275 -4.529 -4.538 1.00 0.00 C ATOM 789 OG1 THR A 54 2.475 -4.856 -5.249 1.00 0.00 O ATOM 790 CG2 THR A 54 0.197 -5.554 -4.855 1.00 0.00 C ATOM 0 H THR A 54 2.777 -2.539 -4.469 1.00 0.00 H new ATOM 0 HA THR A 54 0.531 -3.095 -5.969 1.00 0.00 H new ATOM 0 HB THR A 54 1.470 -4.551 -3.466 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.242 -4.438 -4.805 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.548 -6.549 -4.580 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.705 -5.319 -4.291 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.026 -5.530 -5.922 1.00 0.00 H new ATOM 798 N ALA A 55 -0.163 -2.477 -2.786 1.00 0.00 N ATOM 799 CA ALA A 55 -1.236 -2.111 -1.869 1.00 0.00 C ATOM 800 C ALA A 55 -1.951 -0.848 -2.338 1.00 0.00 C ATOM 801 O ALA A 55 -3.148 -0.872 -2.627 1.00 0.00 O ATOM 802 CB ALA A 55 -0.686 -1.917 -0.464 1.00 0.00 C ATOM 0 H ALA A 55 0.763 -2.508 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.962 -2.924 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.498 -1.644 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.227 -2.844 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.061 -1.123 -0.472 1.00 0.00 H new ATOM 808 N TYR A 56 -1.212 0.253 -2.410 1.00 0.00 N ATOM 809 CA TYR A 56 -1.777 1.526 -2.841 1.00 0.00 C ATOM 810 C TYR A 56 -2.522 1.372 -4.163 1.00 0.00 C ATOM 811 O TYR A 56 -3.582 1.965 -4.364 1.00 0.00 O ATOM 812 CB TYR A 56 -0.673 2.575 -2.984 1.00 0.00 C ATOM 813 CG TYR A 56 -1.151 3.880 -3.580 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.238 4.046 -4.957 1.00 0.00 C ATOM 815 CD2 TYR A 56 -1.515 4.946 -2.767 1.00 0.00 C ATOM 816 CE1 TYR A 56 -1.674 5.237 -5.506 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.954 6.139 -3.307 1.00 0.00 C ATOM 818 CZ TYR A 56 -2.031 6.280 -4.677 1.00 0.00 C ATOM 819 OH TYR A 56 -2.466 7.467 -5.220 1.00 0.00 O ATOM 0 H TYR A 56 -0.220 0.290 -2.175 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.486 1.855 -2.082 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.240 2.770 -2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.123 2.170 -3.609 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.960 3.231 -5.609 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.454 4.840 -1.694 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.735 5.350 -6.578 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.235 6.957 -2.660 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.900 8.005 -4.525 1.00 0.00 H new ATOM 829 N ALA A 57 -1.960 0.570 -5.062 1.00 0.00 N ATOM 830 CA ALA A 57 -2.571 0.335 -6.364 1.00 0.00 C ATOM 831 C ALA A 57 -3.959 -0.280 -6.216 1.00 0.00 C ATOM 832 O ALA A 57 -4.823 -0.100 -7.074 1.00 0.00 O ATOM 833 CB ALA A 57 -1.681 -0.563 -7.210 1.00 0.00 C ATOM 0 H ALA A 57 -1.082 0.072 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.680 1.296 -6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.150 -0.730 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.712 -0.085 -7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.543 -1.519 -6.704 1.00 0.00 H new ATOM 839 N VAL A 58 -4.165 -1.007 -5.123 1.00 0.00 N ATOM 840 CA VAL A 58 -5.448 -1.648 -4.863 1.00 0.00 C ATOM 841 C VAL A 58 -6.456 -0.653 -4.298 1.00 0.00 C ATOM 842 O VAL A 58 -7.501 -0.403 -4.898 1.00 0.00 O ATOM 843 CB VAL A 58 -5.299 -2.825 -3.879 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.658 -3.426 -3.555 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.363 -3.879 -4.450 1.00 0.00 C ATOM 0 H VAL A 58 -3.460 -1.167 -4.403 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.811 -2.026 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.865 -2.449 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.532 -4.255 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.294 -2.665 -3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.123 -3.789 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.269 -4.703 -3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.767 -4.253 -5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.382 -3.438 -4.626 1.00 0.00 H new ATOM 855 N LEU A 59 -6.134 -0.088 -3.139 1.00 0.00 N ATOM 856 CA LEU A 59 -7.011 0.882 -2.492 1.00 0.00 C ATOM 857 C LEU A 59 -7.218 2.106 -3.378 1.00 0.00 C ATOM 858 O LEU A 59 -8.344 2.567 -3.565 1.00 0.00 O ATOM 859 CB LEU A 59 -6.426 1.307 -1.144 1.00 0.00 C ATOM 860 CG LEU A 59 -6.007 0.174 -0.206 1.00 0.00 C ATOM 861 CD1 LEU A 59 -5.040 0.686 0.850 1.00 0.00 C ATOM 862 CD2 LEU A 59 -7.228 -0.457 0.446 1.00 0.00 C ATOM 0 H LEU A 59 -5.273 -0.285 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.979 0.408 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.557 1.937 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.163 1.924 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.499 -0.590 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.753 -0.134 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.152 1.090 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.522 1.469 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.911 -1.261 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.765 0.298 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.884 -0.861 -0.325 1.00 0.00 H new ATOM 874 N SER A 60 -6.123 2.627 -3.924 1.00 0.00 N ATOM 875 CA SER A 60 -6.184 3.798 -4.790 1.00 0.00 C ATOM 876 C SER A 60 -7.319 3.667 -5.802 1.00 0.00 C ATOM 877 O SER A 60 -7.887 4.664 -6.246 1.00 0.00 O ATOM 878 CB SER A 60 -4.854 3.989 -5.521 1.00 0.00 C ATOM 879 OG SER A 60 -4.951 5.007 -6.501 1.00 0.00 O ATOM 0 H SER A 60 -5.184 2.256 -3.782 1.00 0.00 H new ATOM 0 HA SER A 60 -6.375 4.671 -4.166 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.075 4.244 -4.803 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.558 3.052 -5.993 1.00 0.00 H new ATOM 0 HG SER A 60 -4.080 5.444 -6.606 1.00 0.00 H new ATOM 885 N ASN A 61 -7.641 2.429 -6.163 1.00 0.00 N ATOM 886 CA ASN A 61 -8.707 2.166 -7.123 1.00 0.00 C ATOM 887 C ASN A 61 -10.020 1.862 -6.408 1.00 0.00 C ATOM 888 O ASN A 61 -10.045 1.281 -5.323 1.00 0.00 O ATOM 889 CB ASN A 61 -8.326 0.996 -8.032 1.00 0.00 C ATOM 890 CG ASN A 61 -7.524 1.441 -9.241 1.00 0.00 C ATOM 891 OD1 ASN A 61 -7.176 2.614 -9.371 1.00 0.00 O ATOM 892 ND2 ASN A 61 -7.229 0.502 -10.132 1.00 0.00 N ATOM 0 H ASN A 61 -7.179 1.593 -5.805 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.843 3.060 -7.731 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.746 0.270 -7.462 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.231 0.489 -8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.693 0.741 -10.966 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.539 -0.458 -9.982 1.00 0.00 H new ATOM 899 N PRO A 62 -11.139 2.263 -7.030 1.00 0.00 N ATOM 900 CA PRO A 62 -12.477 2.043 -6.472 1.00 0.00 C ATOM 901 C PRO A 62 -12.878 0.572 -6.490 1.00 0.00 C ATOM 902 O PRO A 62 -13.353 0.038 -5.489 1.00 0.00 O ATOM 903 CB PRO A 62 -13.385 2.856 -7.399 1.00 0.00 C ATOM 904 CG PRO A 62 -12.643 2.928 -8.688 1.00 0.00 C ATOM 905 CD PRO A 62 -11.184 2.961 -8.326 1.00 0.00 C ATOM 0 HA PRO A 62 -12.536 2.341 -5.425 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.354 2.374 -7.527 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.574 3.851 -6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.869 2.067 -9.317 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.925 3.817 -9.251 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.573 2.458 -9.075 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.813 3.983 -8.245 1.00 0.00 H new ATOM 913 N GLU A 63 -12.682 -0.077 -7.633 1.00 0.00 N ATOM 914 CA GLU A 63 -13.024 -1.487 -7.780 1.00 0.00 C ATOM 915 C GLU A 63 -12.091 -2.362 -6.947 1.00 0.00 C ATOM 916 O GLU A 63 -12.527 -3.052 -6.025 1.00 0.00 O ATOM 917 CB GLU A 63 -12.952 -1.902 -9.250 1.00 0.00 C ATOM 918 CG GLU A 63 -13.274 -3.368 -9.485 1.00 0.00 C ATOM 919 CD GLU A 63 -13.343 -3.722 -10.958 1.00 0.00 C ATOM 920 OE1 GLU A 63 -14.220 -3.173 -11.658 1.00 0.00 O ATOM 921 OE2 GLU A 63 -12.523 -4.547 -11.411 1.00 0.00 O ATOM 0 H GLU A 63 -12.288 0.351 -8.471 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.044 -1.627 -7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.646 -1.290 -9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.952 -1.693 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.516 -3.984 -9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.227 -3.607 -9.013 1.00 0.00 H new ATOM 928 N LYS A 64 -10.805 -2.328 -7.278 1.00 0.00 N ATOM 929 CA LYS A 64 -9.809 -3.117 -6.562 1.00 0.00 C ATOM 930 C LYS A 64 -9.978 -2.966 -5.054 1.00 0.00 C ATOM 931 O LYS A 64 -9.647 -3.872 -4.289 1.00 0.00 O ATOM 932 CB LYS A 64 -8.399 -2.689 -6.973 1.00 0.00 C ATOM 933 CG LYS A 64 -8.000 -3.161 -8.361 1.00 0.00 C ATOM 934 CD LYS A 64 -6.501 -3.047 -8.580 1.00 0.00 C ATOM 935 CE LYS A 64 -6.061 -3.797 -9.828 1.00 0.00 C ATOM 936 NZ LYS A 64 -6.559 -3.146 -11.071 1.00 0.00 N ATOM 0 H LYS A 64 -10.427 -1.762 -8.038 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.955 -4.165 -6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.333 -1.602 -6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.684 -3.077 -6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.311 -4.197 -8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.524 -2.570 -9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.224 -1.997 -8.669 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.974 -3.443 -7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.973 -3.848 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.427 -4.823 -9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.238 -3.687 -11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.599 -3.120 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.189 -2.176 -11.127 1.00 0.00 H new ATOM 950 N ARG A 65 -10.497 -1.817 -4.632 1.00 0.00 N ATOM 951 CA ARG A 65 -10.710 -1.549 -3.215 1.00 0.00 C ATOM 952 C ARG A 65 -11.963 -2.257 -2.710 1.00 0.00 C ATOM 953 O ARG A 65 -11.984 -2.790 -1.601 1.00 0.00 O ATOM 954 CB ARG A 65 -10.829 -0.043 -2.972 1.00 0.00 C ATOM 955 CG ARG A 65 -11.086 0.320 -1.518 1.00 0.00 C ATOM 956 CD ARG A 65 -11.030 1.824 -1.302 1.00 0.00 C ATOM 957 NE ARG A 65 -11.179 2.181 0.106 1.00 0.00 N ATOM 958 CZ ARG A 65 -11.593 3.372 0.523 1.00 0.00 C ATOM 959 NH1 ARG A 65 -11.899 4.316 -0.356 1.00 0.00 N ATOM 960 NH2 ARG A 65 -11.703 3.620 1.822 1.00 0.00 N ATOM 0 H ARG A 65 -10.778 -1.057 -5.252 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.851 -1.933 -2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.911 0.444 -3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.639 0.353 -3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.063 -0.056 -1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.346 -0.168 -0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.081 2.209 -1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.818 2.303 -1.883 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.953 1.477 0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.817 4.128 -1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.217 5.230 -0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.469 2.896 2.501 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.021 4.535 2.141 1.00 0.00 H new ATOM 974 N LYS A 66 -13.007 -2.258 -3.532 1.00 0.00 N ATOM 975 CA LYS A 66 -14.265 -2.901 -3.171 1.00 0.00 C ATOM 976 C LYS A 66 -14.026 -4.322 -2.670 1.00 0.00 C ATOM 977 O LYS A 66 -14.385 -4.661 -1.543 1.00 0.00 O ATOM 978 CB LYS A 66 -15.213 -2.925 -4.372 1.00 0.00 C ATOM 979 CG LYS A 66 -15.954 -1.616 -4.588 1.00 0.00 C ATOM 980 CD LYS A 66 -17.281 -1.837 -5.293 1.00 0.00 C ATOM 981 CE LYS A 66 -18.399 -2.122 -4.301 1.00 0.00 C ATOM 982 NZ LYS A 66 -19.721 -1.660 -4.807 1.00 0.00 N ATOM 0 H LYS A 66 -13.007 -1.820 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.721 -2.323 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.643 -3.162 -5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.940 -3.726 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.128 -1.132 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.336 -0.940 -5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.532 -0.955 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.190 -2.671 -5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.441 -3.192 -4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.179 -1.628 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.456 -1.872 -4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.689 -0.634 -4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.943 -2.150 -5.697 1.00 0.00 H new ATOM 996 N GLN A 67 -13.417 -5.148 -3.516 1.00 0.00 N ATOM 997 CA GLN A 67 -13.130 -6.532 -3.157 1.00 0.00 C ATOM 998 C GLN A 67 -12.394 -6.607 -1.824 1.00 0.00 C ATOM 999 O GLN A 67 -12.593 -7.540 -1.046 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.298 -7.201 -4.252 1.00 0.00 C ATOM 1001 CG GLN A 67 -10.956 -6.529 -4.493 1.00 0.00 C ATOM 1002 CD GLN A 67 -9.999 -7.401 -5.281 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -10.299 -8.557 -5.582 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -8.839 -6.852 -5.620 1.00 0.00 N ATOM 0 H GLN A 67 -13.113 -4.883 -4.453 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.078 -7.060 -3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.130 -8.244 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.868 -7.200 -5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.114 -5.593 -5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.504 -6.275 -3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.631 -5.891 -5.350 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.155 -7.392 -6.151 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.542 -5.621 -1.567 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.774 -5.577 -0.329 1.00 0.00 C ATOM 1015 C TYR A 68 -11.676 -5.263 0.861 1.00 0.00 C ATOM 1016 O TYR A 68 -11.657 -5.967 1.871 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.662 -4.531 -0.430 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.625 -4.642 0.664 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -7.733 -5.707 0.698 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.537 -3.682 1.665 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -6.784 -5.812 1.696 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.591 -3.779 2.666 1.00 0.00 C ATOM 1023 CZ TYR A 68 -6.717 -4.846 2.678 1.00 0.00 C ATOM 1024 OH TYR A 68 -5.773 -4.946 3.674 1.00 0.00 O ATOM 0 H TYR A 68 -11.366 -4.841 -2.200 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.327 -6.559 -0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.169 -4.629 -1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.106 -3.536 -0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.783 -6.466 -0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.220 -2.846 1.660 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.098 -6.646 1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.536 -3.023 3.436 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.100 -5.546 4.376 1.00 0.00 H new