USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 25 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 23:sc= 0.301 USER MOD Single : A 7 GLN : amide:sc= 0.141 X(o=0.14,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 83:sc= 1.14 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0961 K(o=-0.096,f=-0.9) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc=-0.00936 X(o=-0.0094,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.13) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.52) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -23:sc= -1.07 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot -23:sc= -0.692 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0382) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.190 -6.247 -6.474 1.00 5.03 N ATOM 60 CA THR A 5 7.789 -5.874 -6.312 1.00 40.30 C ATOM 61 C THR A 5 7.410 -5.816 -4.836 1.00 51.50 C ATOM 62 O THR A 5 6.627 -4.961 -4.419 1.00 22.20 O ATOM 63 CB THR A 5 6.887 -6.870 -7.043 1.00 13.20 C ATOM 64 OG1 THR A 5 7.419 -7.186 -8.317 1.00 5.00 O ATOM 65 CG2 THR A 5 5.477 -6.360 -7.248 1.00 11.30 C ATOM 0 HA THR A 5 7.650 -4.883 -6.744 1.00 40.30 H new ATOM 0 HB THR A 5 6.848 -7.751 -6.402 1.00 13.20 H new ATOM 0 HG1 THR A 5 8.382 -7.004 -8.324 1.00 5.00 H new ATOM 0 HG21 THR A 5 4.890 -7.114 -7.772 1.00 11.30 H new ATOM 0 HG22 THR A 5 5.021 -6.153 -6.280 1.00 11.30 H new ATOM 0 HG23 THR A 5 5.503 -5.445 -7.840 1.00 11.30 H new ATOM 73 N LEU A 6 7.968 -6.730 -4.050 1.00 71.30 N ATOM 74 CA LEU A 6 7.688 -6.782 -2.620 1.00 5.50 C ATOM 75 C LEU A 6 8.394 -5.647 -1.885 1.00 14.10 C ATOM 76 O LEU A 6 7.896 -5.140 -0.880 1.00 52.20 O ATOM 77 CB LEU A 6 8.124 -8.130 -2.042 1.00 53.50 C ATOM 78 CG LEU A 6 7.183 -8.719 -0.991 1.00 44.30 C ATOM 79 CD1 LEU A 6 5.864 -9.130 -1.626 1.00 61.30 C ATOM 80 CD2 LEU A 6 7.836 -9.907 -0.299 1.00 61.10 C ATOM 0 H LEU A 6 8.617 -7.445 -4.379 1.00 71.30 H new ATOM 0 HA LEU A 6 6.613 -6.666 -2.481 1.00 5.50 H new ATOM 0 HB2 LEU A 6 8.223 -8.844 -2.860 1.00 53.50 H new ATOM 0 HB3 LEU A 6 9.113 -8.015 -1.598 1.00 53.50 H new ATOM 0 HG LEU A 6 6.979 -7.953 -0.243 1.00 44.30 H new ATOM 0 HD11 LEU A 6 5.207 -9.547 -0.863 1.00 61.30 H new ATOM 0 HD12 LEU A 6 5.390 -8.258 -2.076 1.00 61.30 H new ATOM 0 HD13 LEU A 6 6.049 -9.880 -2.395 1.00 61.30 H new ATOM 0 HD21 LEU A 6 7.153 -10.315 0.446 1.00 61.10 H new ATOM 0 HD22 LEU A 6 8.069 -10.675 -1.037 1.00 61.10 H new ATOM 0 HD23 LEU A 6 8.755 -9.583 0.190 1.00 61.10 H new ATOM 92 N GLN A 7 9.558 -5.253 -2.392 1.00 42.00 N ATOM 93 CA GLN A 7 10.332 -4.177 -1.785 1.00 23.40 C ATOM 94 C GLN A 7 9.662 -2.826 -2.014 1.00 25.20 C ATOM 95 O GLN A 7 9.708 -1.945 -1.156 1.00 12.30 O ATOM 96 CB GLN A 7 11.754 -4.161 -2.352 1.00 22.20 C ATOM 97 CG GLN A 7 12.827 -3.954 -1.296 1.00 41.20 C ATOM 98 CD GLN A 7 12.878 -2.527 -0.788 1.00 44.10 C ATOM 99 OE1 GLN A 7 13.272 -1.611 -1.510 1.00 40.20 O ATOM 100 NE2 GLN A 7 12.475 -2.329 0.462 1.00 54.00 N ATOM 0 H GLN A 7 9.986 -5.663 -3.222 1.00 42.00 H new ATOM 0 HA GLN A 7 10.379 -4.358 -0.711 1.00 23.40 H new ATOM 0 HB2 GLN A 7 11.941 -5.102 -2.868 1.00 22.20 H new ATOM 0 HB3 GLN A 7 11.831 -3.368 -3.096 1.00 22.20 H new ATOM 0 HG2 GLN A 7 12.642 -4.627 -0.459 1.00 41.20 H new ATOM 0 HG3 GLN A 7 13.798 -4.222 -1.713 1.00 41.20 H new ATOM 0 HE21 GLN A 7 12.156 -3.117 1.026 1.00 54.00 H new ATOM 0 HE22 GLN A 7 12.485 -1.389 0.858 1.00 54.00 H new ATOM 109 N LYS A 8 9.040 -2.671 -3.178 1.00 44.10 N ATOM 110 CA LYS A 8 8.360 -1.427 -3.521 1.00 63.10 C ATOM 111 C LYS A 8 7.094 -1.252 -2.691 1.00 23.40 C ATOM 112 O LYS A 8 6.722 -0.134 -2.335 1.00 24.40 O ATOM 113 CB LYS A 8 8.014 -1.405 -5.012 1.00 10.10 C ATOM 114 CG LYS A 8 9.185 -1.023 -5.902 1.00 12.10 C ATOM 115 CD LYS A 8 8.750 -0.842 -7.348 1.00 12.30 C ATOM 116 CE LYS A 8 9.943 -0.639 -8.268 1.00 24.40 C ATOM 117 NZ LYS A 8 10.302 -1.888 -8.995 1.00 11.40 N ATOM 0 H LYS A 8 8.993 -3.391 -3.899 1.00 44.10 H new ATOM 0 HA LYS A 8 9.035 -0.600 -3.299 1.00 63.10 H new ATOM 0 HB2 LYS A 8 7.650 -2.389 -5.307 1.00 10.10 H new ATOM 0 HB3 LYS A 8 7.198 -0.701 -5.177 1.00 10.10 H new ATOM 0 HG2 LYS A 8 9.634 -0.099 -5.538 1.00 12.10 H new ATOM 0 HG3 LYS A 8 9.953 -1.794 -5.846 1.00 12.10 H new ATOM 0 HD2 LYS A 8 8.185 -1.716 -7.671 1.00 12.30 H new ATOM 0 HD3 LYS A 8 8.081 0.015 -7.423 1.00 12.30 H new ATOM 0 HE2 LYS A 8 9.717 0.148 -8.988 1.00 24.40 H new ATOM 0 HE3 LYS A 8 10.799 -0.300 -7.684 1.00 24.40 H new ATOM 0 HZ1 LYS A 8 11.120 -1.708 -9.612 1.00 11.40 H new ATOM 0 HZ2 LYS A 8 10.543 -2.632 -8.309 1.00 11.40 H new ATOM 0 HZ3 LYS A 8 9.495 -2.198 -9.573 1.00 11.40 H new ATOM 131 N ALA A 9 6.434 -2.365 -2.386 1.00 13.10 N ATOM 132 CA ALA A 9 5.209 -2.334 -1.597 1.00 33.10 C ATOM 133 C ALA A 9 5.477 -1.827 -0.184 1.00 71.20 C ATOM 134 O ALA A 9 4.688 -1.063 0.373 1.00 11.00 O ATOM 135 CB ALA A 9 4.576 -3.718 -1.551 1.00 25.20 C ATOM 0 H ALA A 9 6.727 -3.299 -2.673 1.00 13.10 H new ATOM 0 HA ALA A 9 4.515 -1.644 -2.077 1.00 33.10 H new ATOM 0 HB1 ALA A 9 3.662 -3.680 -0.958 1.00 25.20 H new ATOM 0 HB2 ALA A 9 4.339 -4.043 -2.564 1.00 25.20 H new ATOM 0 HB3 ALA A 9 5.274 -4.422 -1.098 1.00 25.20 H new ATOM 141 N ILE A 10 6.594 -2.257 0.391 1.00 3.13 N ATOM 142 CA ILE A 10 6.967 -1.846 1.740 1.00 55.10 C ATOM 143 C ILE A 10 7.363 -0.374 1.775 1.00 31.20 C ATOM 144 O ILE A 10 7.098 0.327 2.751 1.00 2.32 O ATOM 145 CB ILE A 10 8.134 -2.694 2.285 1.00 50.40 C ATOM 146 CG1 ILE A 10 7.830 -4.184 2.126 1.00 24.20 C ATOM 147 CG2 ILE A 10 8.398 -2.356 3.746 1.00 32.40 C ATOM 148 CD1 ILE A 10 9.070 -5.039 1.962 1.00 41.00 C ATOM 0 H ILE A 10 7.257 -2.890 -0.056 1.00 3.13 H new ATOM 0 HA ILE A 10 6.092 -2.000 2.371 1.00 55.10 H new ATOM 0 HB ILE A 10 9.030 -2.462 1.710 1.00 50.40 H new ATOM 0 HG12 ILE A 10 7.273 -4.528 2.998 1.00 24.20 H new ATOM 0 HG13 ILE A 10 7.184 -4.325 1.259 1.00 24.20 H new ATOM 0 HG21 ILE A 10 9.224 -2.963 4.116 1.00 32.40 H new ATOM 0 HG22 ILE A 10 8.655 -1.300 3.835 1.00 32.40 H new ATOM 0 HG23 ILE A 10 7.504 -2.563 4.335 1.00 32.40 H new ATOM 0 HD11 ILE A 10 8.780 -6.084 1.854 1.00 41.00 H new ATOM 0 HD12 ILE A 10 9.616 -4.721 1.074 1.00 41.00 H new ATOM 0 HD13 ILE A 10 9.707 -4.928 2.839 1.00 41.00 H new ATOM 160 N ASP A 11 7.999 0.088 0.704 1.00 53.20 N ATOM 161 CA ASP A 11 8.433 1.478 0.613 1.00 63.40 C ATOM 162 C ASP A 11 7.260 2.394 0.278 1.00 51.20 C ATOM 163 O ASP A 11 7.227 3.553 0.693 1.00 62.10 O ATOM 164 CB ASP A 11 9.527 1.623 -0.446 1.00 11.30 C ATOM 165 CG ASP A 11 10.919 1.474 0.137 1.00 5.23 C ATOM 166 OD1 ASP A 11 11.215 0.399 0.700 1.00 62.40 O ATOM 167 OD2 ASP A 11 11.713 2.433 0.030 1.00 32.40 O ATOM 0 H ASP A 11 8.226 -0.479 -0.113 1.00 53.20 H new ATOM 0 HA ASP A 11 8.834 1.772 1.583 1.00 63.40 H new ATOM 0 HB2 ASP A 11 9.379 0.873 -1.223 1.00 11.30 H new ATOM 0 HB3 ASP A 11 9.439 2.598 -0.924 1.00 11.30 H new ATOM 172 N LEU A 12 6.301 1.868 -0.475 1.00 23.00 N ATOM 173 CA LEU A 12 5.126 2.640 -0.865 1.00 21.40 C ATOM 174 C LEU A 12 4.237 2.926 0.341 1.00 71.50 C ATOM 175 O LEU A 12 3.592 3.972 0.416 1.00 61.50 O ATOM 176 CB LEU A 12 4.330 1.890 -1.936 1.00 51.30 C ATOM 177 CG LEU A 12 4.614 2.322 -3.376 1.00 72.00 C ATOM 178 CD1 LEU A 12 4.166 3.758 -3.600 1.00 23.40 C ATOM 179 CD2 LEU A 12 6.093 2.167 -3.695 1.00 34.40 C ATOM 0 H LEU A 12 6.313 0.911 -0.828 1.00 23.00 H new ATOM 0 HA LEU A 12 5.466 3.591 -1.275 1.00 21.40 H new ATOM 0 HB2 LEU A 12 4.541 0.825 -1.844 1.00 51.30 H new ATOM 0 HB3 LEU A 12 3.267 2.023 -1.736 1.00 51.30 H new ATOM 0 HG LEU A 12 4.048 1.678 -4.048 1.00 72.00 H new ATOM 0 HD11 LEU A 12 4.376 4.048 -4.630 1.00 23.40 H new ATOM 0 HD12 LEU A 12 3.096 3.839 -3.411 1.00 23.40 H new ATOM 0 HD13 LEU A 12 4.705 4.418 -2.920 1.00 23.40 H new ATOM 0 HD21 LEU A 12 6.278 2.479 -4.723 1.00 34.40 H new ATOM 0 HD22 LEU A 12 6.678 2.788 -3.017 1.00 34.40 H new ATOM 0 HD23 LEU A 12 6.384 1.123 -3.574 1.00 34.40 H new ATOM 191 N VAL A 13 4.209 1.991 1.285 1.00 30.10 N ATOM 192 CA VAL A 13 3.400 2.143 2.488 1.00 65.40 C ATOM 193 C VAL A 13 4.095 3.039 3.508 1.00 45.40 C ATOM 194 O VAL A 13 3.442 3.755 4.266 1.00 32.40 O ATOM 195 CB VAL A 13 3.100 0.780 3.139 1.00 72.30 C ATOM 196 CG1 VAL A 13 2.214 -0.061 2.235 1.00 32.20 C ATOM 197 CG2 VAL A 13 4.392 0.047 3.463 1.00 0.32 C ATOM 0 H VAL A 13 4.738 1.120 1.240 1.00 30.10 H new ATOM 0 HA VAL A 13 2.462 2.605 2.182 1.00 65.40 H new ATOM 0 HB VAL A 13 2.565 0.955 4.072 1.00 72.30 H new ATOM 0 HG11 VAL A 13 2.013 -1.020 2.712 1.00 32.20 H new ATOM 0 HG12 VAL A 13 1.273 0.461 2.060 1.00 32.20 H new ATOM 0 HG13 VAL A 13 2.719 -0.228 1.284 1.00 32.20 H new ATOM 0 HG21 VAL A 13 4.160 -0.914 3.922 1.00 0.32 H new ATOM 0 HG22 VAL A 13 4.957 -0.117 2.546 1.00 0.32 H new ATOM 0 HG23 VAL A 13 4.986 0.645 4.154 1.00 0.32 H new ATOM 207 N THR A 14 5.423 2.992 3.521 1.00 52.00 N ATOM 208 CA THR A 14 6.206 3.800 4.449 1.00 73.40 C ATOM 209 C THR A 14 6.106 5.281 4.101 1.00 62.20 C ATOM 210 O THR A 14 6.049 6.134 4.986 1.00 4.02 O ATOM 211 CB THR A 14 7.671 3.357 4.431 1.00 31.30 C ATOM 212 OG1 THR A 14 7.770 1.947 4.527 1.00 52.10 O ATOM 213 CG2 THR A 14 8.490 3.952 5.556 1.00 62.30 C ATOM 0 H THR A 14 5.979 2.404 2.900 1.00 52.00 H new ATOM 0 HA THR A 14 5.801 3.654 5.450 1.00 73.40 H new ATOM 0 HB THR A 14 8.070 3.717 3.483 1.00 31.30 H new ATOM 0 HG1 THR A 14 7.641 1.549 3.641 1.00 52.10 H new ATOM 0 HG21 THR A 14 9.518 3.597 5.485 1.00 62.30 H new ATOM 0 HG22 THR A 14 8.475 5.039 5.481 1.00 62.30 H new ATOM 0 HG23 THR A 14 8.067 3.648 6.514 1.00 62.30 H new ATOM 221 N LYS A 15 6.084 5.578 2.805 1.00 42.40 N ATOM 222 CA LYS A 15 5.990 6.958 2.340 1.00 72.40 C ATOM 223 C LYS A 15 4.586 7.513 2.562 1.00 25.10 C ATOM 224 O LYS A 15 4.409 8.712 2.777 1.00 41.10 O ATOM 225 CB LYS A 15 6.362 7.044 0.858 1.00 51.30 C ATOM 226 CG LYS A 15 7.647 7.812 0.597 1.00 65.00 C ATOM 227 CD LYS A 15 8.827 6.876 0.387 1.00 0.44 C ATOM 228 CE LYS A 15 9.987 7.222 1.307 1.00 73.30 C ATOM 229 NZ LYS A 15 10.985 8.102 0.637 1.00 75.50 N ATOM 0 H LYS A 15 6.130 4.883 2.060 1.00 42.40 H new ATOM 0 HA LYS A 15 6.692 7.560 2.917 1.00 72.40 H new ATOM 0 HB2 LYS A 15 6.464 6.035 0.458 1.00 51.30 H new ATOM 0 HB3 LYS A 15 5.547 7.521 0.314 1.00 51.30 H new ATOM 0 HG2 LYS A 15 7.522 8.443 -0.283 1.00 65.00 H new ATOM 0 HG3 LYS A 15 7.853 8.474 1.438 1.00 65.00 H new ATOM 0 HD2 LYS A 15 8.513 5.848 0.567 1.00 0.44 H new ATOM 0 HD3 LYS A 15 9.156 6.931 -0.651 1.00 0.44 H new ATOM 0 HE2 LYS A 15 9.607 7.719 2.200 1.00 73.30 H new ATOM 0 HE3 LYS A 15 10.475 6.305 1.636 1.00 73.30 H new ATOM 0 HZ1 LYS A 15 11.759 8.314 1.298 1.00 75.50 H new ATOM 0 HZ2 LYS A 15 11.367 7.618 -0.201 1.00 75.50 H new ATOM 0 HZ3 LYS A 15 10.526 8.988 0.345 1.00 75.50 H new ATOM 243 N ALA A 16 3.591 6.633 2.507 1.00 73.50 N ATOM 244 CA ALA A 16 2.203 7.036 2.700 1.00 72.10 C ATOM 245 C ALA A 16 1.932 7.395 4.157 1.00 75.20 C ATOM 246 O ALA A 16 1.324 8.424 4.450 1.00 43.30 O ATOM 247 CB ALA A 16 1.265 5.930 2.243 1.00 13.10 C ATOM 0 H ALA A 16 3.720 5.637 2.330 1.00 73.50 H new ATOM 0 HA ALA A 16 2.021 7.925 2.096 1.00 72.10 H new ATOM 0 HB1 ALA A 16 0.232 6.244 2.393 1.00 13.10 H new ATOM 0 HB2 ALA A 16 1.432 5.725 1.186 1.00 13.10 H new ATOM 0 HB3 ALA A 16 1.457 5.027 2.823 1.00 13.10 H new ATOM 253 N THR A 17 2.385 6.538 5.068 1.00 44.10 N ATOM 254 CA THR A 17 2.189 6.766 6.495 1.00 61.10 C ATOM 255 C THR A 17 2.826 8.083 6.930 1.00 52.40 C ATOM 256 O THR A 17 2.228 8.855 7.680 1.00 75.50 O ATOM 257 CB THR A 17 2.779 5.609 7.303 1.00 32.50 C ATOM 258 OG1 THR A 17 2.683 5.869 8.693 1.00 70.00 O ATOM 259 CG2 THR A 17 4.233 5.338 6.988 1.00 53.50 C ATOM 0 H THR A 17 2.890 5.681 4.843 1.00 44.10 H new ATOM 0 HA THR A 17 1.117 6.823 6.684 1.00 61.10 H new ATOM 0 HB THR A 17 2.194 4.733 7.022 1.00 32.50 H new ATOM 0 HG1 THR A 17 3.064 5.117 9.193 1.00 70.00 H new ATOM 0 HG21 THR A 17 4.588 4.506 7.596 1.00 53.50 H new ATOM 0 HG22 THR A 17 4.336 5.086 5.932 1.00 53.50 H new ATOM 0 HG23 THR A 17 4.825 6.226 7.208 1.00 53.50 H new ATOM 267 N GLU A 18 4.042 8.332 6.456 1.00 4.44 N ATOM 268 CA GLU A 18 4.759 9.556 6.798 1.00 1.31 C ATOM 269 C GLU A 18 4.077 10.775 6.187 1.00 65.40 C ATOM 270 O GLU A 18 3.986 11.828 6.816 1.00 0.32 O ATOM 271 CB GLU A 18 6.210 9.473 6.315 1.00 73.50 C ATOM 272 CG GLU A 18 6.343 9.306 4.811 1.00 34.40 C ATOM 273 CD GLU A 18 7.788 9.263 4.355 1.00 43.10 C ATOM 274 OE1 GLU A 18 8.536 8.385 4.835 1.00 24.40 O ATOM 275 OE2 GLU A 18 8.171 10.107 3.518 1.00 4.12 O ATOM 0 H GLU A 18 4.552 7.704 5.835 1.00 4.44 H new ATOM 0 HA GLU A 18 4.749 9.663 7.883 1.00 1.31 H new ATOM 0 HB2 GLU A 18 6.738 10.377 6.620 1.00 73.50 H new ATOM 0 HB3 GLU A 18 6.701 8.635 6.810 1.00 73.50 H new ATOM 0 HG2 GLU A 18 5.842 8.388 4.505 1.00 34.40 H new ATOM 0 HG3 GLU A 18 5.832 10.129 4.311 1.00 34.40 H new ATOM 282 N GLU A 19 3.599 10.625 4.956 1.00 10.30 N ATOM 283 CA GLU A 19 2.925 11.715 4.259 1.00 13.40 C ATOM 284 C GLU A 19 1.607 12.064 4.943 1.00 61.40 C ATOM 285 O GLU A 19 1.245 13.235 5.052 1.00 64.00 O ATOM 286 CB GLU A 19 2.671 11.334 2.800 1.00 71.10 C ATOM 287 CG GLU A 19 3.910 11.421 1.924 1.00 41.50 C ATOM 288 CD GLU A 19 4.335 12.851 1.655 1.00 21.40 C ATOM 289 OE1 GLU A 19 4.913 13.480 2.567 1.00 11.20 O ATOM 290 OE2 GLU A 19 4.090 13.342 0.534 1.00 14.30 O ATOM 0 H GLU A 19 3.666 9.759 4.420 1.00 10.30 H new ATOM 0 HA GLU A 19 3.573 12.591 4.291 1.00 13.40 H new ATOM 0 HB2 GLU A 19 2.280 10.317 2.762 1.00 71.10 H new ATOM 0 HB3 GLU A 19 1.901 11.988 2.391 1.00 71.10 H new ATOM 0 HG2 GLU A 19 4.729 10.887 2.406 1.00 41.50 H new ATOM 0 HG3 GLU A 19 3.716 10.919 0.976 1.00 41.50 H new ATOM 297 N ASP A 20 0.893 11.040 5.402 1.00 44.30 N ATOM 298 CA ASP A 20 -0.386 11.239 6.075 1.00 12.10 C ATOM 299 C ASP A 20 -0.241 12.195 7.255 1.00 43.50 C ATOM 300 O ASP A 20 -1.087 13.063 7.472 1.00 52.10 O ATOM 301 CB ASP A 20 -0.944 9.898 6.557 1.00 31.20 C ATOM 302 CG ASP A 20 -2.453 9.918 6.702 1.00 70.20 C ATOM 303 OD1 ASP A 20 -3.098 10.788 6.081 1.00 65.10 O ATOM 304 OD2 ASP A 20 -2.989 9.063 7.438 1.00 42.40 O ATOM 0 H ASP A 20 1.179 10.064 5.320 1.00 44.30 H new ATOM 0 HA ASP A 20 -1.079 11.680 5.359 1.00 12.10 H new ATOM 0 HB2 ASP A 20 -0.660 9.115 5.854 1.00 31.20 H new ATOM 0 HB3 ASP A 20 -0.493 9.644 7.516 1.00 31.20 H new ATOM 309 N LYS A 21 0.839 12.031 8.011 1.00 24.50 N ATOM 310 CA LYS A 21 1.099 12.880 9.169 1.00 13.10 C ATOM 311 C LYS A 21 1.581 14.266 8.743 1.00 23.10 C ATOM 312 O LYS A 21 1.541 15.213 9.528 1.00 53.30 O ATOM 313 CB LYS A 21 2.137 12.227 10.083 1.00 2.34 C ATOM 314 CG LYS A 21 1.648 10.949 10.744 1.00 51.30 C ATOM 315 CD LYS A 21 2.771 9.936 10.899 1.00 2.02 C ATOM 316 CE LYS A 21 2.548 9.034 12.103 1.00 75.10 C ATOM 317 NZ LYS A 21 3.371 9.453 13.271 1.00 50.40 N ATOM 0 H LYS A 21 1.549 11.318 7.843 1.00 24.50 H new ATOM 0 HA LYS A 21 0.162 12.997 9.714 1.00 13.10 H new ATOM 0 HB2 LYS A 21 3.032 12.006 9.502 1.00 2.34 H new ATOM 0 HB3 LYS A 21 2.426 12.938 10.856 1.00 2.34 H new ATOM 0 HG2 LYS A 21 1.229 11.182 11.723 1.00 51.30 H new ATOM 0 HG3 LYS A 21 0.845 10.515 10.149 1.00 51.30 H new ATOM 0 HD2 LYS A 21 2.841 9.329 9.997 1.00 2.02 H new ATOM 0 HD3 LYS A 21 3.721 10.459 11.006 1.00 2.02 H new ATOM 0 HE2 LYS A 21 1.493 9.050 12.378 1.00 75.10 H new ATOM 0 HE3 LYS A 21 2.793 8.006 11.837 1.00 75.10 H new ATOM 0 HZ1 LYS A 21 3.190 8.813 14.071 1.00 50.40 H new ATOM 0 HZ2 LYS A 21 4.379 9.414 13.017 1.00 50.40 H new ATOM 0 HZ3 LYS A 21 3.120 10.425 13.542 1.00 50.40 H new ATOM 331 N ALA A 22 2.039 14.378 7.499 1.00 65.10 N ATOM 332 CA ALA A 22 2.531 15.649 6.978 1.00 51.40 C ATOM 333 C ALA A 22 1.445 16.390 6.202 1.00 50.10 C ATOM 334 O ALA A 22 1.740 17.167 5.295 1.00 64.20 O ATOM 335 CB ALA A 22 3.747 15.421 6.095 1.00 45.20 C ATOM 0 H ALA A 22 2.079 13.605 6.834 1.00 65.10 H new ATOM 0 HA ALA A 22 2.819 16.270 7.826 1.00 51.40 H new ATOM 0 HB1 ALA A 22 4.104 16.378 5.713 1.00 45.20 H new ATOM 0 HB2 ALA A 22 4.536 14.946 6.678 1.00 45.20 H new ATOM 0 HB3 ALA A 22 3.474 14.776 5.260 1.00 45.20 H new ATOM 341 N LYS A 23 0.188 16.147 6.564 1.00 43.30 N ATOM 342 CA LYS A 23 -0.937 16.796 5.899 1.00 25.20 C ATOM 343 C LYS A 23 -0.927 16.510 4.401 1.00 63.10 C ATOM 344 O LYS A 23 -1.384 17.326 3.600 1.00 33.10 O ATOM 345 CB LYS A 23 -0.894 18.306 6.142 1.00 4.42 C ATOM 346 CG LYS A 23 -2.240 18.990 5.957 1.00 63.20 C ATOM 347 CD LYS A 23 -2.516 19.990 7.069 1.00 42.30 C ATOM 348 CE LYS A 23 -3.912 20.580 6.954 1.00 22.10 C ATOM 349 NZ LYS A 23 -3.967 21.980 7.457 1.00 64.10 N ATOM 0 H LYS A 23 -0.076 15.507 7.313 1.00 43.30 H new ATOM 0 HA LYS A 23 -1.858 16.391 6.319 1.00 25.20 H new ATOM 0 HB2 LYS A 23 -0.537 18.493 7.155 1.00 4.42 H new ATOM 0 HB3 LYS A 23 -0.171 18.755 5.461 1.00 4.42 H new ATOM 0 HG2 LYS A 23 -2.260 19.501 4.994 1.00 63.20 H new ATOM 0 HG3 LYS A 23 -3.031 18.240 5.937 1.00 63.20 H new ATOM 0 HD2 LYS A 23 -2.406 19.500 8.036 1.00 42.30 H new ATOM 0 HD3 LYS A 23 -1.777 20.791 7.031 1.00 42.30 H new ATOM 0 HE2 LYS A 23 -4.231 20.556 5.912 1.00 22.10 H new ATOM 0 HE3 LYS A 23 -4.614 19.964 7.517 1.00 22.10 H new ATOM 0 HZ1 LYS A 23 -4.936 22.346 7.361 1.00 64.10 H new ATOM 0 HZ2 LYS A 23 -3.687 22.000 8.458 1.00 64.10 H new ATOM 0 HZ3 LYS A 23 -3.317 22.574 6.904 1.00 64.10 H new ATOM 363 N ASN A 24 -0.403 15.346 4.028 1.00 42.30 N ATOM 364 CA ASN A 24 -0.335 14.951 2.625 1.00 1.52 C ATOM 365 C ASN A 24 -1.269 13.777 2.347 1.00 74.10 C ATOM 366 O ASN A 24 -0.886 12.806 1.694 1.00 74.00 O ATOM 367 CB ASN A 24 1.104 14.587 2.249 1.00 73.30 C ATOM 368 CG ASN A 24 1.826 15.726 1.557 1.00 75.20 C ATOM 369 OD1 ASN A 24 1.239 16.451 0.753 1.00 63.00 O ATOM 370 ND2 ASN A 24 3.108 15.889 1.864 1.00 71.20 N ATOM 0 H ASN A 24 -0.019 14.660 4.678 1.00 42.30 H new ATOM 0 HA ASN A 24 -0.657 15.794 2.014 1.00 1.52 H new ATOM 0 HB2 ASN A 24 1.652 14.306 3.149 1.00 73.30 H new ATOM 0 HB3 ASN A 24 1.096 13.715 1.595 1.00 73.30 H new ATOM 0 HD21 ASN A 24 3.646 16.638 1.428 1.00 71.20 H new ATOM 0 HD22 ASN A 24 3.555 15.265 2.536 1.00 71.20 H new ATOM 377 N TYR A 25 -2.497 13.874 2.847 1.00 64.40 N ATOM 378 CA TYR A 25 -3.491 12.821 2.656 1.00 42.20 C ATOM 379 C TYR A 25 -3.646 12.474 1.178 1.00 13.20 C ATOM 380 O TYR A 25 -3.951 11.334 0.827 1.00 14.10 O ATOM 381 CB TYR A 25 -4.839 13.254 3.233 1.00 52.50 C ATOM 382 CG TYR A 25 -4.798 13.550 4.715 1.00 60.00 C ATOM 383 CD1 TYR A 25 -4.426 14.804 5.184 1.00 64.40 C ATOM 384 CD2 TYR A 25 -5.134 12.574 5.647 1.00 22.10 C ATOM 385 CE1 TYR A 25 -4.388 15.077 6.538 1.00 53.40 C ATOM 386 CE2 TYR A 25 -5.098 12.840 7.003 1.00 22.10 C ATOM 387 CZ TYR A 25 -4.725 14.093 7.443 1.00 22.30 C ATOM 388 OH TYR A 25 -4.688 14.362 8.791 1.00 14.10 O ATOM 0 H TYR A 25 -2.829 14.672 3.389 1.00 64.40 H new ATOM 0 HA TYR A 25 -3.145 11.932 3.183 1.00 42.20 H new ATOM 0 HB2 TYR A 25 -5.183 14.142 2.703 1.00 52.50 H new ATOM 0 HB3 TYR A 25 -5.572 12.469 3.048 1.00 52.50 H new ATOM 0 HD1 TYR A 25 -4.162 15.578 4.479 1.00 64.40 H new ATOM 0 HD2 TYR A 25 -5.428 11.592 5.306 1.00 22.10 H new ATOM 0 HE1 TYR A 25 -4.096 16.057 6.886 1.00 53.40 H new ATOM 0 HE2 TYR A 25 -5.361 12.071 7.714 1.00 22.10 H new ATOM 0 HH TYR A 25 -4.955 13.563 9.292 1.00 14.10 H new ATOM 398 N GLU A 26 -3.436 13.464 0.316 1.00 52.10 N ATOM 399 CA GLU A 26 -3.555 13.262 -1.123 1.00 24.10 C ATOM 400 C GLU A 26 -2.455 12.337 -1.636 1.00 4.34 C ATOM 401 O GLU A 26 -2.718 11.407 -2.398 1.00 31.20 O ATOM 402 CB GLU A 26 -3.490 14.604 -1.854 1.00 14.40 C ATOM 403 CG GLU A 26 -4.592 15.571 -1.452 1.00 14.10 C ATOM 404 CD GLU A 26 -5.636 15.750 -2.538 1.00 30.40 C ATOM 405 OE1 GLU A 26 -6.120 14.730 -3.071 1.00 70.10 O ATOM 406 OE2 GLU A 26 -5.968 16.912 -2.855 1.00 61.30 O ATOM 0 H GLU A 26 -3.183 14.414 0.589 1.00 52.10 H new ATOM 0 HA GLU A 26 -4.520 12.794 -1.320 1.00 24.10 H new ATOM 0 HB2 GLU A 26 -2.523 15.068 -1.659 1.00 14.40 H new ATOM 0 HB3 GLU A 26 -3.548 14.426 -2.928 1.00 14.40 H new ATOM 0 HG2 GLU A 26 -5.075 15.208 -0.545 1.00 14.10 H new ATOM 0 HG3 GLU A 26 -4.152 16.539 -1.213 1.00 14.10 H new ATOM 413 N GLU A 27 -1.223 12.599 -1.213 1.00 35.30 N ATOM 414 CA GLU A 27 -0.083 11.790 -1.630 1.00 71.30 C ATOM 415 C GLU A 27 -0.133 10.407 -0.989 1.00 4.15 C ATOM 416 O GLU A 27 0.164 9.402 -1.635 1.00 54.40 O ATOM 417 CB GLU A 27 1.228 12.489 -1.262 1.00 0.13 C ATOM 418 CG GLU A 27 2.438 11.937 -1.999 1.00 0.12 C ATOM 419 CD GLU A 27 3.299 13.027 -2.605 1.00 45.40 C ATOM 420 OE1 GLU A 27 2.797 13.762 -3.482 1.00 60.30 O ATOM 421 OE2 GLU A 27 4.477 13.147 -2.204 1.00 42.50 O ATOM 0 H GLU A 27 -0.988 13.365 -0.582 1.00 35.30 H new ATOM 0 HA GLU A 27 -0.131 11.671 -2.712 1.00 71.30 H new ATOM 0 HB2 GLU A 27 1.136 13.553 -1.478 1.00 0.13 H new ATOM 0 HB3 GLU A 27 1.392 12.394 -0.189 1.00 0.13 H new ATOM 0 HG2 GLU A 27 3.040 11.345 -1.309 1.00 0.12 H new ATOM 0 HG3 GLU A 27 2.102 11.264 -2.788 1.00 0.12 H new ATOM 428 N ALA A 28 -0.512 10.363 0.284 1.00 71.10 N ATOM 429 CA ALA A 28 -0.601 9.103 1.012 1.00 3.23 C ATOM 430 C ALA A 28 -1.582 8.149 0.339 1.00 23.50 C ATOM 431 O ALA A 28 -1.406 6.931 0.381 1.00 32.00 O ATOM 432 CB ALA A 28 -1.014 9.356 2.454 1.00 15.00 C ATOM 0 H ALA A 28 -0.762 11.186 0.833 1.00 71.10 H new ATOM 0 HA ALA A 28 0.384 8.636 1.004 1.00 3.23 H new ATOM 0 HB1 ALA A 28 -1.077 8.407 2.986 1.00 15.00 H new ATOM 0 HB2 ALA A 28 -0.275 9.995 2.937 1.00 15.00 H new ATOM 0 HB3 ALA A 28 -1.987 9.848 2.473 1.00 15.00 H new ATOM 438 N LEU A 29 -2.612 8.710 -0.283 1.00 44.10 N ATOM 439 CA LEU A 29 -3.621 7.909 -0.966 1.00 3.12 C ATOM 440 C LEU A 29 -3.008 7.140 -2.132 1.00 61.40 C ATOM 441 O LEU A 29 -3.217 5.935 -2.270 1.00 44.20 O ATOM 442 CB LEU A 29 -4.757 8.803 -1.471 1.00 50.20 C ATOM 443 CG LEU A 29 -5.930 8.058 -2.111 1.00 53.40 C ATOM 444 CD1 LEU A 29 -6.546 7.083 -1.120 1.00 24.30 C ATOM 445 CD2 LEU A 29 -6.974 9.044 -2.612 1.00 23.10 C ATOM 0 H LEU A 29 -2.771 9.717 -0.329 1.00 44.10 H new ATOM 0 HA LEU A 29 -4.023 7.191 -0.251 1.00 3.12 H new ATOM 0 HB2 LEU A 29 -5.133 9.393 -0.636 1.00 50.20 H new ATOM 0 HB3 LEU A 29 -4.351 9.505 -2.200 1.00 50.20 H new ATOM 0 HG LEU A 29 -5.556 7.490 -2.963 1.00 53.40 H new ATOM 0 HD11 LEU A 29 -7.379 6.562 -1.592 1.00 24.30 H new ATOM 0 HD12 LEU A 29 -5.794 6.358 -0.808 1.00 24.30 H new ATOM 0 HD13 LEU A 29 -6.907 7.629 -0.249 1.00 24.30 H new ATOM 0 HD21 LEU A 29 -7.802 8.498 -3.065 1.00 23.10 H new ATOM 0 HD22 LEU A 29 -7.344 9.638 -1.776 1.00 23.10 H new ATOM 0 HD23 LEU A 29 -6.525 9.703 -3.355 1.00 23.10 H new ATOM 457 N ARG A 30 -2.251 7.844 -2.967 1.00 40.10 N ATOM 458 CA ARG A 30 -1.608 7.226 -4.121 1.00 10.20 C ATOM 459 C ARG A 30 -0.469 6.310 -3.685 1.00 61.20 C ATOM 460 O ARG A 30 -0.215 5.279 -4.309 1.00 44.50 O ATOM 461 CB ARG A 30 -1.078 8.300 -5.072 1.00 74.20 C ATOM 462 CG ARG A 30 -2.169 9.166 -5.681 1.00 70.20 C ATOM 463 CD ARG A 30 -2.874 8.453 -6.823 1.00 53.10 C ATOM 464 NE ARG A 30 -3.192 9.361 -7.923 1.00 31.40 N ATOM 465 CZ ARG A 30 -2.306 9.764 -8.831 1.00 1.12 C ATOM 466 NH1 ARG A 30 -1.049 9.341 -8.775 1.00 4.41 N ATOM 467 NH2 ARG A 30 -2.678 10.591 -9.799 1.00 11.50 N ATOM 0 H ARG A 30 -2.068 8.842 -2.866 1.00 40.10 H new ATOM 0 HA ARG A 30 -2.354 6.625 -4.641 1.00 10.20 H new ATOM 0 HB2 ARG A 30 -0.378 8.938 -4.532 1.00 74.20 H new ATOM 0 HB3 ARG A 30 -0.518 7.819 -5.874 1.00 74.20 H new ATOM 0 HG2 ARG A 30 -2.895 9.432 -4.913 1.00 70.20 H new ATOM 0 HG3 ARG A 30 -1.735 10.097 -6.045 1.00 70.20 H new ATOM 0 HD2 ARG A 30 -2.242 7.645 -7.191 1.00 53.10 H new ATOM 0 HD3 ARG A 30 -3.792 7.996 -6.453 1.00 53.10 H new ATOM 0 HE ARG A 30 -4.149 9.706 -7.999 1.00 31.40 H new ATOM 0 HH11 ARG A 30 -0.758 8.704 -8.034 1.00 4.41 H new ATOM 0 HH12 ARG A 30 -0.374 9.653 -9.473 1.00 4.41 H new ATOM 0 HH21 ARG A 30 -3.643 10.918 -9.848 1.00 11.50 H new ATOM 0 HH22 ARG A 30 -1.999 10.900 -10.495 1.00 11.50 H new ATOM 481 N LEU A 31 0.216 6.693 -2.612 1.00 62.20 N ATOM 482 CA LEU A 31 1.327 5.905 -2.094 1.00 74.30 C ATOM 483 C LEU A 31 0.837 4.575 -1.529 1.00 75.40 C ATOM 484 O LEU A 31 1.504 3.549 -1.662 1.00 74.20 O ATOM 485 CB LEU A 31 2.077 6.691 -1.015 1.00 63.10 C ATOM 486 CG LEU A 31 3.357 7.380 -1.488 1.00 15.40 C ATOM 487 CD1 LEU A 31 4.340 6.360 -2.040 1.00 72.50 C ATOM 488 CD2 LEU A 31 3.037 8.436 -2.535 1.00 75.10 C ATOM 0 H LEU A 31 0.021 7.544 -2.085 1.00 62.20 H new ATOM 0 HA LEU A 31 2.008 5.696 -2.919 1.00 74.30 H new ATOM 0 HB2 LEU A 31 1.406 7.446 -0.605 1.00 63.10 H new ATOM 0 HB3 LEU A 31 2.328 6.012 -0.201 1.00 63.10 H new ATOM 0 HG LEU A 31 3.819 7.873 -0.633 1.00 15.40 H new ATOM 0 HD11 LEU A 31 5.245 6.869 -2.372 1.00 72.50 H new ATOM 0 HD12 LEU A 31 4.593 5.640 -1.261 1.00 72.50 H new ATOM 0 HD13 LEU A 31 3.888 5.838 -2.883 1.00 72.50 H new ATOM 0 HD21 LEU A 31 3.959 8.917 -2.861 1.00 75.10 H new ATOM 0 HD22 LEU A 31 2.552 7.965 -3.390 1.00 75.10 H new ATOM 0 HD23 LEU A 31 2.370 9.184 -2.106 1.00 75.10 H new ATOM 500 N TYR A 32 -0.331 4.602 -0.897 1.00 63.00 N ATOM 501 CA TYR A 32 -0.910 3.398 -0.310 1.00 3.25 C ATOM 502 C TYR A 32 -1.502 2.498 -1.389 1.00 21.30 C ATOM 503 O TYR A 32 -1.320 1.280 -1.364 1.00 64.40 O ATOM 504 CB TYR A 32 -1.989 3.772 0.710 1.00 72.30 C ATOM 505 CG TYR A 32 -1.500 3.760 2.140 1.00 52.10 C ATOM 506 CD1 TYR A 32 -0.873 2.639 2.671 1.00 72.50 C ATOM 507 CD2 TYR A 32 -1.664 4.869 2.960 1.00 34.20 C ATOM 508 CE1 TYR A 32 -0.425 2.625 3.979 1.00 53.40 C ATOM 509 CE2 TYR A 32 -1.218 4.864 4.268 1.00 42.00 C ATOM 510 CZ TYR A 32 -0.600 3.739 4.773 1.00 15.10 C ATOM 511 OH TYR A 32 -0.154 3.728 6.074 1.00 72.10 O ATOM 0 H TYR A 32 -0.895 5.443 -0.778 1.00 63.00 H new ATOM 0 HA TYR A 32 -0.115 2.851 0.197 1.00 3.25 H new ATOM 0 HB2 TYR A 32 -2.372 4.765 0.474 1.00 72.30 H new ATOM 0 HB3 TYR A 32 -2.824 3.078 0.614 1.00 72.30 H new ATOM 0 HD1 TYR A 32 -0.734 1.765 2.052 1.00 72.50 H new ATOM 0 HD2 TYR A 32 -2.149 5.751 2.568 1.00 34.20 H new ATOM 0 HE1 TYR A 32 0.060 1.746 4.377 1.00 53.40 H new ATOM 0 HE2 TYR A 32 -1.353 5.736 4.891 1.00 42.00 H new ATOM 0 HH TYR A 32 -0.354 4.590 6.496 1.00 72.10 H new ATOM 521 N GLN A 33 -2.212 3.104 -2.335 1.00 74.50 N ATOM 522 CA GLN A 33 -2.832 2.356 -3.423 1.00 35.50 C ATOM 523 C GLN A 33 -1.779 1.636 -4.259 1.00 3.14 C ATOM 524 O GLN A 33 -1.974 0.493 -4.672 1.00 13.20 O ATOM 525 CB GLN A 33 -3.652 3.293 -4.311 1.00 73.50 C ATOM 526 CG GLN A 33 -4.911 3.820 -3.641 1.00 50.30 C ATOM 527 CD GLN A 33 -6.179 3.362 -4.334 1.00 13.40 C ATOM 528 OE1 GLN A 33 -6.417 2.163 -4.488 1.00 54.10 O ATOM 529 NE2 GLN A 33 -7.000 4.316 -4.758 1.00 24.40 N ATOM 0 H GLN A 33 -2.372 4.111 -2.370 1.00 74.50 H new ATOM 0 HA GLN A 33 -3.494 1.609 -2.985 1.00 35.50 H new ATOM 0 HB2 GLN A 33 -3.029 4.136 -4.608 1.00 73.50 H new ATOM 0 HB3 GLN A 33 -3.930 2.765 -5.223 1.00 73.50 H new ATOM 0 HG2 GLN A 33 -4.930 3.490 -2.602 1.00 50.30 H new ATOM 0 HG3 GLN A 33 -4.882 4.910 -3.629 1.00 50.30 H new ATOM 0 HE21 GLN A 33 -6.762 5.297 -4.609 1.00 24.40 H new ATOM 0 HE22 GLN A 33 -7.868 4.068 -5.233 1.00 24.40 H new ATOM 538 N HIS A 34 -0.662 2.312 -4.506 1.00 40.30 N ATOM 539 CA HIS A 34 0.422 1.738 -5.294 1.00 10.50 C ATOM 540 C HIS A 34 1.062 0.561 -4.564 1.00 64.20 C ATOM 541 O HIS A 34 1.514 -0.399 -5.189 1.00 23.40 O ATOM 542 CB HIS A 34 1.479 2.800 -5.598 1.00 61.30 C ATOM 543 CG HIS A 34 1.250 3.521 -6.889 1.00 42.00 C ATOM 544 ND1 HIS A 34 2.043 3.343 -8.002 1.00 70.10 N ATOM 545 CD2 HIS A 34 0.306 4.427 -7.243 1.00 24.30 C ATOM 546 CE1 HIS A 34 1.600 4.108 -8.985 1.00 4.23 C ATOM 547 NE2 HIS A 34 0.546 4.774 -8.549 1.00 21.20 N ATOM 0 H HIS A 34 -0.484 3.259 -4.171 1.00 40.30 H new ATOM 0 HA HIS A 34 0.002 1.375 -6.232 1.00 10.50 H new ATOM 0 HB2 HIS A 34 1.497 3.525 -4.785 1.00 61.30 H new ATOM 0 HB3 HIS A 34 2.460 2.327 -5.625 1.00 61.30 H new ATOM 0 HD2 HIS A 34 -0.487 4.805 -6.615 1.00 24.30 H new ATOM 0 HE1 HIS A 34 2.027 4.177 -9.975 1.00 4.23 H new ATOM 0 HE2 HIS A 34 -0.001 5.439 -9.095 1.00 21.20 H new ATOM 556 N ALA A 35 1.096 0.641 -3.238 1.00 45.30 N ATOM 557 CA ALA A 35 1.680 -0.417 -2.423 1.00 65.10 C ATOM 558 C ALA A 35 0.819 -1.677 -2.457 1.00 64.10 C ATOM 559 O ALA A 35 1.336 -2.794 -2.454 1.00 53.20 O ATOM 560 CB ALA A 35 1.866 0.063 -0.991 1.00 73.20 C ATOM 0 H ALA A 35 0.726 1.428 -2.705 1.00 45.30 H new ATOM 0 HA ALA A 35 2.656 -0.667 -2.840 1.00 65.10 H new ATOM 0 HB1 ALA A 35 2.303 -0.737 -0.393 1.00 73.20 H new ATOM 0 HB2 ALA A 35 2.529 0.928 -0.980 1.00 73.20 H new ATOM 0 HB3 ALA A 35 0.899 0.342 -0.572 1.00 73.20 H new ATOM 566 N VAL A 36 -0.496 -1.487 -2.489 1.00 74.40 N ATOM 567 CA VAL A 36 -1.429 -2.608 -2.521 1.00 4.34 C ATOM 568 C VAL A 36 -1.377 -3.326 -3.866 1.00 42.10 C ATOM 569 O VAL A 36 -1.539 -4.544 -3.937 1.00 62.30 O ATOM 570 CB VAL A 36 -2.873 -2.145 -2.253 1.00 33.20 C ATOM 571 CG1 VAL A 36 -3.806 -3.341 -2.134 1.00 22.20 C ATOM 572 CG2 VAL A 36 -2.937 -1.284 -1.000 1.00 11.10 C ATOM 0 H VAL A 36 -0.939 -0.568 -2.493 1.00 74.40 H new ATOM 0 HA VAL A 36 -1.125 -3.296 -1.732 1.00 4.34 H new ATOM 0 HB VAL A 36 -3.201 -1.540 -3.098 1.00 33.20 H new ATOM 0 HG11 VAL A 36 -4.821 -2.993 -1.945 1.00 22.20 H new ATOM 0 HG12 VAL A 36 -3.785 -3.912 -3.062 1.00 22.20 H new ATOM 0 HG13 VAL A 36 -3.481 -3.976 -1.310 1.00 22.20 H new ATOM 0 HG21 VAL A 36 -3.966 -0.967 -0.828 1.00 11.10 H new ATOM 0 HG22 VAL A 36 -2.587 -1.861 -0.144 1.00 11.10 H new ATOM 0 HG23 VAL A 36 -2.304 -0.406 -1.129 1.00 11.10 H new ATOM 582 N GLU A 37 -1.153 -2.563 -4.931 1.00 53.40 N ATOM 583 CA GLU A 37 -1.082 -3.127 -6.273 1.00 43.20 C ATOM 584 C GLU A 37 0.134 -4.038 -6.420 1.00 25.50 C ATOM 585 O GLU A 37 0.078 -5.058 -7.107 1.00 4.03 O ATOM 586 CB GLU A 37 -1.023 -2.010 -7.317 1.00 5.31 C ATOM 587 CG GLU A 37 -2.353 -1.305 -7.530 1.00 55.10 C ATOM 588 CD GLU A 37 -2.828 -1.372 -8.968 1.00 4.23 C ATOM 589 OE1 GLU A 37 -3.488 -2.369 -9.330 1.00 40.20 O ATOM 590 OE2 GLU A 37 -2.538 -0.428 -9.733 1.00 10.20 O ATOM 0 H GLU A 37 -1.018 -1.553 -4.890 1.00 53.40 H new ATOM 0 HA GLU A 37 -1.981 -3.722 -6.436 1.00 43.20 H new ATOM 0 HB2 GLU A 37 -0.278 -1.276 -7.010 1.00 5.31 H new ATOM 0 HB3 GLU A 37 -0.687 -2.428 -8.266 1.00 5.31 H new ATOM 0 HG2 GLU A 37 -3.105 -1.754 -6.882 1.00 55.10 H new ATOM 0 HG3 GLU A 37 -2.258 -0.261 -7.232 1.00 55.10 H new ATOM 597 N TYR A 38 1.230 -3.662 -5.768 1.00 21.20 N ATOM 598 CA TYR A 38 2.459 -4.446 -5.826 1.00 13.10 C ATOM 599 C TYR A 38 2.324 -5.733 -5.019 1.00 70.30 C ATOM 600 O TYR A 38 2.935 -6.751 -5.348 1.00 41.40 O ATOM 601 CB TYR A 38 3.638 -3.624 -5.303 1.00 72.20 C ATOM 602 CG TYR A 38 4.087 -2.536 -6.253 1.00 64.20 C ATOM 603 CD1 TYR A 38 4.464 -2.837 -7.556 1.00 23.40 C ATOM 604 CD2 TYR A 38 4.136 -1.209 -5.845 1.00 41.20 C ATOM 605 CE1 TYR A 38 4.875 -1.845 -8.427 1.00 71.00 C ATOM 606 CE2 TYR A 38 4.546 -0.212 -6.709 1.00 41.40 C ATOM 607 CZ TYR A 38 4.915 -0.534 -7.998 1.00 64.20 C ATOM 608 OH TYR A 38 5.324 0.456 -8.862 1.00 34.30 O ATOM 0 H TYR A 38 1.292 -2.821 -5.194 1.00 21.20 H new ATOM 0 HA TYR A 38 2.642 -4.710 -6.868 1.00 13.10 H new ATOM 0 HB2 TYR A 38 3.361 -3.172 -4.351 1.00 72.20 H new ATOM 0 HB3 TYR A 38 4.477 -4.292 -5.106 1.00 72.20 H new ATOM 0 HD1 TYR A 38 4.436 -3.862 -7.894 1.00 23.40 H new ATOM 0 HD2 TYR A 38 3.849 -0.953 -4.836 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.163 -2.095 -9.437 1.00 71.00 H new ATOM 0 HE2 TYR A 38 4.577 0.815 -6.376 1.00 41.40 H new ATOM 0 HH TYR A 38 5.294 1.322 -8.405 1.00 34.30 H new ATOM 618 N PHE A 39 1.522 -5.682 -3.960 1.00 42.10 N ATOM 619 CA PHE A 39 1.309 -6.845 -3.105 1.00 70.00 C ATOM 620 C PHE A 39 0.515 -7.922 -3.838 1.00 14.40 C ATOM 621 O PHE A 39 0.902 -9.091 -3.850 1.00 65.20 O ATOM 622 CB PHE A 39 0.576 -6.436 -1.826 1.00 53.50 C ATOM 623 CG PHE A 39 1.481 -5.864 -0.773 1.00 63.30 C ATOM 624 CD1 PHE A 39 2.587 -6.573 -0.331 1.00 10.30 C ATOM 625 CD2 PHE A 39 1.225 -4.618 -0.224 1.00 44.10 C ATOM 626 CE1 PHE A 39 3.421 -6.050 0.639 1.00 53.40 C ATOM 627 CE2 PHE A 39 2.056 -4.088 0.746 1.00 13.50 C ATOM 628 CZ PHE A 39 3.156 -4.806 1.178 1.00 70.00 C ATOM 0 H PHE A 39 1.009 -4.848 -3.673 1.00 42.10 H new ATOM 0 HA PHE A 39 2.284 -7.255 -2.842 1.00 70.00 H new ATOM 0 HB2 PHE A 39 -0.189 -5.701 -2.075 1.00 53.50 H new ATOM 0 HB3 PHE A 39 0.061 -7.306 -1.418 1.00 53.50 H new ATOM 0 HD1 PHE A 39 2.800 -7.546 -0.750 1.00 10.30 H new ATOM 0 HD2 PHE A 39 0.366 -4.054 -0.557 1.00 44.10 H new ATOM 0 HE1 PHE A 39 4.279 -6.613 0.975 1.00 53.40 H new ATOM 0 HE2 PHE A 39 1.846 -3.115 1.165 1.00 13.50 H new ATOM 0 HZ PHE A 39 3.807 -4.395 1.936 1.00 70.00 H new ATOM 638 N LEU A 40 -0.596 -7.522 -4.447 1.00 25.40 N ATOM 639 CA LEU A 40 -1.444 -8.454 -5.180 1.00 63.40 C ATOM 640 C LEU A 40 -0.702 -9.038 -6.379 1.00 52.20 C ATOM 641 O LEU A 40 -0.842 -10.220 -6.692 1.00 14.10 O ATOM 642 CB LEU A 40 -2.721 -7.755 -5.649 1.00 11.10 C ATOM 643 CG LEU A 40 -3.874 -7.768 -4.641 1.00 24.40 C ATOM 644 CD1 LEU A 40 -3.884 -6.484 -3.825 1.00 53.50 C ATOM 645 CD2 LEU A 40 -5.205 -7.960 -5.353 1.00 23.00 C ATOM 0 H LEU A 40 -0.930 -6.558 -4.447 1.00 25.40 H new ATOM 0 HA LEU A 40 -1.710 -9.269 -4.507 1.00 63.40 H new ATOM 0 HB2 LEU A 40 -2.482 -6.720 -5.892 1.00 11.10 H new ATOM 0 HB3 LEU A 40 -3.059 -8.229 -6.571 1.00 11.10 H new ATOM 0 HG LEU A 40 -3.726 -8.606 -3.960 1.00 24.40 H new ATOM 0 HD11 LEU A 40 -4.710 -6.511 -3.114 1.00 53.50 H new ATOM 0 HD12 LEU A 40 -2.943 -6.389 -3.284 1.00 53.50 H new ATOM 0 HD13 LEU A 40 -4.007 -5.630 -4.491 1.00 53.50 H new ATOM 0 HD21 LEU A 40 -6.012 -7.967 -4.620 1.00 23.00 H new ATOM 0 HD22 LEU A 40 -5.362 -7.144 -6.058 1.00 23.00 H new ATOM 0 HD23 LEU A 40 -5.196 -8.908 -5.891 1.00 23.00 H new ATOM 657 N HIS A 41 0.087 -8.202 -7.045 1.00 62.40 N ATOM 658 CA HIS A 41 0.851 -8.635 -8.209 1.00 1.24 C ATOM 659 C HIS A 41 1.919 -9.648 -7.816 1.00 43.30 C ATOM 660 O HIS A 41 2.283 -10.520 -8.605 1.00 1.44 O ATOM 661 CB HIS A 41 1.501 -7.432 -8.894 1.00 61.20 C ATOM 662 CG HIS A 41 2.252 -7.786 -10.140 1.00 1.43 C ATOM 663 ND1 HIS A 41 1.739 -7.597 -11.400 1.00 35.00 N ATOM 664 CD2 HIS A 41 3.484 -8.322 -10.310 1.00 3.40 C ATOM 665 CE1 HIS A 41 2.623 -8.001 -12.300 1.00 72.30 C ATOM 666 NE2 HIS A 41 3.690 -8.445 -11.660 1.00 31.00 N ATOM 0 H HIS A 41 0.214 -7.220 -6.799 1.00 62.40 H new ATOM 0 HA HIS A 41 0.162 -9.114 -8.905 1.00 1.24 H new ATOM 0 HB2 HIS A 41 0.729 -6.703 -9.140 1.00 61.20 H new ATOM 0 HB3 HIS A 41 2.183 -6.950 -8.193 1.00 61.20 H new ATOM 0 HD2 HIS A 41 4.175 -8.601 -9.528 1.00 3.40 H new ATOM 0 HE1 HIS A 41 2.494 -7.972 -13.372 1.00 72.30 H new ATOM 0 HE2 HIS A 41 4.531 -8.819 -12.099 1.00 31.00 H new ATOM 675 N ALA A 42 2.420 -9.528 -6.590 1.00 2.41 N ATOM 676 CA ALA A 42 3.448 -10.430 -6.092 1.00 54.40 C ATOM 677 C ALA A 42 2.866 -11.800 -5.774 1.00 5.02 C ATOM 678 O ALA A 42 3.497 -12.830 -6.026 1.00 51.40 O ATOM 679 CB ALA A 42 4.118 -9.845 -4.861 1.00 60.30 C ATOM 0 H ALA A 42 2.129 -8.813 -5.924 1.00 2.41 H new ATOM 0 HA ALA A 42 4.197 -10.551 -6.875 1.00 54.40 H new ATOM 0 HB1 ALA A 42 4.884 -10.533 -4.502 1.00 60.30 H new ATOM 0 HB2 ALA A 42 4.578 -8.890 -5.116 1.00 60.30 H new ATOM 0 HB3 ALA A 42 3.373 -9.691 -4.080 1.00 60.30 H new ATOM 685 N ILE A 43 1.660 -11.810 -5.218 1.00 1.21 N ATOM 686 CA ILE A 43 0.993 -13.060 -4.864 1.00 71.00 C ATOM 687 C ILE A 43 0.576 -13.840 -6.110 1.00 20.10 C ATOM 688 O ILE A 43 0.586 -15.070 -6.121 1.00 74.20 O ATOM 689 CB ILE A 43 -0.250 -12.810 -3.990 1.00 74.40 C ATOM 690 CG1 ILE A 43 0.109 -11.920 -2.796 1.00 73.20 C ATOM 691 CG2 ILE A 43 -0.846 -14.120 -3.516 1.00 13.20 C ATOM 692 CD1 ILE A 43 -1.070 -11.160 -2.232 1.00 14.50 C ATOM 0 H ILE A 43 1.124 -10.969 -5.002 1.00 1.21 H new ATOM 0 HA ILE A 43 1.715 -13.648 -4.297 1.00 71.00 H new ATOM 0 HB ILE A 43 -0.997 -12.296 -4.595 1.00 74.40 H new ATOM 0 HG12 ILE A 43 0.542 -12.538 -2.010 1.00 73.20 H new ATOM 0 HG13 ILE A 43 0.877 -11.209 -3.101 1.00 73.20 H new ATOM 0 HG21 ILE A 43 -1.723 -13.919 -2.900 1.00 13.20 H new ATOM 0 HG22 ILE A 43 -1.138 -14.720 -4.378 1.00 13.20 H new ATOM 0 HG23 ILE A 43 -0.107 -14.664 -2.928 1.00 13.20 H new ATOM 0 HD11 ILE A 43 -0.741 -10.551 -1.390 1.00 14.50 H new ATOM 0 HD12 ILE A 43 -1.490 -10.515 -3.004 1.00 14.50 H new ATOM 0 HD13 ILE A 43 -1.830 -11.865 -1.895 1.00 14.50 H new ATOM 704 N LYS A 44 0.207 -13.110 -7.159 1.00 34.10 N ATOM 705 CA LYS A 44 -0.215 -13.730 -8.409 1.00 53.30 C ATOM 706 C LYS A 44 0.982 -14.270 -9.181 1.00 5.12 C ATOM 707 O LYS A 44 0.968 -15.420 -9.639 1.00 41.10 O ATOM 708 CB LYS A 44 -0.975 -12.720 -9.272 1.00 20.00 C ATOM 709 CG LYS A 44 -2.077 -13.350 -10.110 1.00 63.30 C ATOM 710 CD LYS A 44 -2.160 -12.710 -11.490 1.00 35.10 C ATOM 711 CE LYS A 44 -2.135 -13.760 -12.590 1.00 61.40 C ATOM 712 NZ LYS A 44 -0.745 -14.140 -12.960 1.00 61.10 N ATOM 0 H LYS A 44 0.192 -12.090 -7.167 1.00 34.10 H new ATOM 0 HA LYS A 44 -0.875 -14.563 -8.166 1.00 53.30 H new ATOM 0 HB2 LYS A 44 -1.411 -11.957 -8.627 1.00 20.00 H new ATOM 0 HB3 LYS A 44 -0.270 -12.215 -9.932 1.00 20.00 H new ATOM 0 HG2 LYS A 44 -1.891 -14.419 -10.214 1.00 63.30 H new ATOM 0 HG3 LYS A 44 -3.033 -13.241 -9.598 1.00 63.30 H new ATOM 0 HD2 LYS A 44 -3.075 -12.123 -11.566 1.00 35.10 H new ATOM 0 HD3 LYS A 44 -1.327 -12.020 -11.624 1.00 35.10 H new ATOM 0 HE2 LYS A 44 -2.678 -14.645 -12.260 1.00 61.40 H new ATOM 0 HE3 LYS A 44 -2.654 -13.378 -13.469 1.00 61.40 H new ATOM 0 HZ1 LYS A 44 -0.770 -14.857 -13.712 1.00 61.10 H new ATOM 0 HZ2 LYS A 44 -0.234 -13.300 -13.299 1.00 61.10 H new ATOM 0 HZ3 LYS A 44 -0.258 -14.529 -12.127 1.00 61.10 H new ATOM 726 N TYR A 45 2.015 -13.450 -9.323 1.00 61.30 N ATOM 727 CA TYR A 45 3.218 -13.850 -10.040 1.00 43.20 C ATOM 728 C TYR A 45 4.186 -14.590 -9.120 1.00 33.20 C ATOM 729 O TYR A 45 4.470 -15.770 -9.321 1.00 64.30 O ATOM 730 CB TYR A 45 3.908 -12.630 -10.640 1.00 31.20 C ATOM 731 CG TYR A 45 3.202 -12.080 -11.860 1.00 32.30 C ATOM 732 CD1 TYR A 45 1.995 -11.400 -11.740 1.00 34.30 C ATOM 733 CD2 TYR A 45 3.741 -12.240 -13.130 1.00 32.30 C ATOM 734 CE1 TYR A 45 1.346 -10.890 -12.850 1.00 32.10 C ATOM 735 CE2 TYR A 45 3.098 -11.730 -14.250 1.00 13.00 C ATOM 736 CZ TYR A 45 1.902 -11.060 -14.100 1.00 12.40 C ATOM 737 OH TYR A 45 1.259 -10.560 -15.210 1.00 53.40 O ATOM 0 H TYR A 45 2.044 -12.501 -8.950 1.00 61.30 H new ATOM 0 HA TYR A 45 2.920 -14.525 -10.842 1.00 43.20 H new ATOM 0 HB2 TYR A 45 3.971 -11.849 -9.883 1.00 31.20 H new ATOM 0 HB3 TYR A 45 4.930 -12.896 -10.910 1.00 31.20 H new ATOM 0 HD1 TYR A 45 1.556 -11.268 -10.762 1.00 34.30 H new ATOM 0 HD2 TYR A 45 4.675 -12.769 -13.248 1.00 32.30 H new ATOM 0 HE1 TYR A 45 0.410 -10.362 -12.738 1.00 32.10 H new ATOM 0 HE2 TYR A 45 3.531 -11.857 -15.231 1.00 13.00 H new ATOM 0 HH TYR A 45 1.784 -10.764 -16.012 1.00 53.40 H new ATOM 747 N GLU A 46 4.688 -13.890 -8.112 1.00 65.30 N ATOM 748 CA GLU A 46 5.624 -14.480 -7.161 1.00 11.20 C ATOM 749 C GLU A 46 4.880 -15.190 -6.037 1.00 20.10 C ATOM 750 O GLU A 46 5.061 -14.880 -4.859 1.00 24.50 O ATOM 751 CB GLU A 46 6.540 -13.400 -6.581 1.00 70.10 C ATOM 752 CG GLU A 46 7.268 -12.580 -7.640 1.00 15.50 C ATOM 753 CD GLU A 46 8.762 -12.510 -7.393 1.00 63.10 C ATOM 754 OE1 GLU A 46 9.175 -11.800 -6.449 1.00 34.10 O ATOM 755 OE2 GLU A 46 9.521 -13.160 -8.146 1.00 3.25 O ATOM 0 H GLU A 46 4.463 -12.912 -7.930 1.00 65.30 H new ATOM 0 HA GLU A 46 6.230 -15.215 -7.691 1.00 11.20 H new ATOM 0 HB2 GLU A 46 5.947 -12.729 -5.959 1.00 70.10 H new ATOM 0 HB3 GLU A 46 7.276 -13.872 -5.930 1.00 70.10 H new ATOM 0 HG2 GLU A 46 7.085 -13.016 -8.622 1.00 15.50 H new ATOM 0 HG3 GLU A 46 6.858 -11.570 -7.658 1.00 15.50 H new ATOM 762 N ALA A 47 4.045 -16.160 -6.408 1.00 60.20 N ATOM 763 CA ALA A 47 3.275 -16.920 -5.432 1.00 3.41 C ATOM 764 C ALA A 47 4.193 -17.700 -4.502 1.00 3.32 C ATOM 765 O ALA A 47 5.240 -18.200 -4.920 1.00 51.00 O ATOM 766 CB ALA A 47 2.307 -17.850 -6.138 1.00 22.30 C ATOM 0 H ALA A 47 3.887 -16.436 -7.377 1.00 60.20 H new ATOM 0 HA ALA A 47 2.703 -16.219 -4.824 1.00 3.41 H new ATOM 0 HB1 ALA A 47 1.738 -18.412 -5.398 1.00 22.30 H new ATOM 0 HB2 ALA A 47 1.624 -17.265 -6.754 1.00 22.30 H new ATOM 0 HB3 ALA A 47 2.863 -18.542 -6.770 1.00 22.30 H new ATOM 772 N HIS A 48 3.794 -17.820 -3.239 1.00 73.20 N ATOM 773 CA HIS A 48 4.581 -18.540 -2.250 1.00 51.30 C ATOM 774 C HIS A 48 3.691 -19.460 -1.415 1.00 74.50 C ATOM 775 O HIS A 48 2.543 -19.720 -1.774 1.00 25.30 O ATOM 776 CB HIS A 48 5.326 -17.560 -1.342 1.00 51.00 C ATOM 777 CG HIS A 48 6.814 -17.720 -1.383 1.00 14.10 C ATOM 778 ND1 HIS A 48 7.508 -18.020 -2.535 1.00 41.30 N ATOM 779 CD2 HIS A 48 7.744 -17.620 -0.402 1.00 62.10 C ATOM 780 CE1 HIS A 48 8.798 -18.100 -2.263 1.00 1.55 C ATOM 781 NE2 HIS A 48 8.968 -17.860 -0.977 1.00 61.50 N ATOM 0 H HIS A 48 2.926 -17.425 -2.878 1.00 73.20 H new ATOM 0 HA HIS A 48 5.312 -19.153 -2.778 1.00 51.30 H new ATOM 0 HB2 HIS A 48 5.070 -16.541 -1.633 1.00 51.00 H new ATOM 0 HB3 HIS A 48 4.982 -17.694 -0.316 1.00 51.00 H new ATOM 0 HD2 HIS A 48 7.557 -17.394 0.637 1.00 62.10 H new ATOM 0 HE1 HIS A 48 9.581 -18.324 -2.973 1.00 1.55 H new ATOM 0 HE2 HIS A 48 9.864 -17.854 -0.489 1.00 61.50 H new ATOM 790 N SER A 49 4.228 -19.950 -0.301 1.00 74.40 N ATOM 791 CA SER A 49 3.483 -20.840 0.582 1.00 71.20 C ATOM 792 C SER A 49 2.263 -20.130 1.162 1.00 12.20 C ATOM 793 O SER A 49 2.081 -18.920 0.968 1.00 3.44 O ATOM 794 CB SER A 49 4.383 -21.340 1.712 1.00 54.20 C ATOM 795 OG SER A 49 4.244 -22.740 1.891 1.00 31.10 O ATOM 0 H SER A 49 5.177 -19.745 0.011 1.00 74.40 H new ATOM 0 HA SER A 49 3.141 -21.693 -0.004 1.00 71.20 H new ATOM 0 HB2 SER A 49 5.422 -21.100 1.487 1.00 54.20 H new ATOM 0 HB3 SER A 49 4.130 -20.824 2.638 1.00 54.20 H new ATOM 0 HG SER A 49 4.831 -23.037 2.618 1.00 31.10 H new ATOM 801 N ASP A 50 1.431 -20.880 1.875 1.00 43.40 N ATOM 802 CA ASP A 50 0.228 -20.320 2.483 1.00 10.20 C ATOM 803 C ASP A 50 0.578 -19.210 3.464 1.00 23.50 C ATOM 804 O ASP A 50 -0.188 -18.260 3.643 1.00 2.24 O ATOM 805 CB ASP A 50 -0.561 -21.420 3.200 1.00 50.40 C ATOM 806 CG ASP A 50 -2.034 -21.400 2.841 1.00 41.20 C ATOM 807 OD1 ASP A 50 -2.677 -20.350 3.026 1.00 45.30 O ATOM 808 OD2 ASP A 50 -2.544 -22.440 2.375 1.00 2.44 O ATOM 0 H ASP A 50 1.566 -21.876 2.047 1.00 43.40 H new ATOM 0 HA ASP A 50 -0.387 -19.895 1.689 1.00 10.20 H new ATOM 0 HB2 ASP A 50 -0.140 -22.392 2.943 1.00 50.40 H new ATOM 0 HB3 ASP A 50 -0.450 -21.300 4.278 1.00 50.40 H new ATOM 813 N LYS A 51 1.741 -19.330 4.097 1.00 2.14 N ATOM 814 CA LYS A 51 2.192 -18.330 5.059 1.00 61.30 C ATOM 815 C LYS A 51 2.390 -16.970 4.387 1.00 22.10 C ATOM 816 O LYS A 51 1.954 -15.940 4.903 1.00 74.10 O ATOM 817 CB LYS A 51 3.496 -18.780 5.721 1.00 24.00 C ATOM 818 CG LYS A 51 3.296 -19.440 7.077 1.00 63.20 C ATOM 819 CD LYS A 51 4.504 -19.240 7.979 1.00 43.40 C ATOM 820 CE LYS A 51 5.046 -20.560 8.490 1.00 62.40 C ATOM 821 NZ LYS A 51 6.102 -20.370 9.522 1.00 3.23 N ATOM 0 H LYS A 51 2.387 -20.108 3.962 1.00 2.14 H new ATOM 0 HA LYS A 51 1.421 -18.226 5.822 1.00 61.30 H new ATOM 0 HB2 LYS A 51 4.008 -19.478 5.059 1.00 24.00 H new ATOM 0 HB3 LYS A 51 4.150 -17.916 5.840 1.00 24.00 H new ATOM 0 HG2 LYS A 51 2.410 -19.025 7.557 1.00 63.20 H new ATOM 0 HG3 LYS A 51 3.115 -20.506 6.941 1.00 63.20 H new ATOM 0 HD2 LYS A 51 5.285 -18.714 7.430 1.00 43.40 H new ATOM 0 HD3 LYS A 51 4.227 -18.609 8.823 1.00 43.40 H new ATOM 0 HE2 LYS A 51 4.230 -21.148 8.911 1.00 62.40 H new ATOM 0 HE3 LYS A 51 5.453 -21.131 7.656 1.00 62.40 H new ATOM 0 HZ1 LYS A 51 6.444 -21.298 9.843 1.00 3.23 H new ATOM 0 HZ2 LYS A 51 6.893 -19.831 9.114 1.00 3.23 H new ATOM 0 HZ3 LYS A 51 5.708 -19.848 10.330 1.00 3.23 H new ATOM 835 N ALA A 52 3.051 -16.980 3.235 1.00 41.50 N ATOM 836 CA ALA A 52 3.308 -15.750 2.492 1.00 14.20 C ATOM 837 C ALA A 52 2.038 -15.240 1.822 1.00 62.30 C ATOM 838 O ALA A 52 1.760 -14.040 1.835 1.00 63.20 O ATOM 839 CB ALA A 52 4.397 -15.980 1.456 1.00 32.00 C ATOM 0 H ALA A 52 3.418 -17.824 2.795 1.00 41.50 H new ATOM 0 HA ALA A 52 3.646 -14.991 3.197 1.00 14.20 H new ATOM 0 HB1 ALA A 52 4.579 -15.055 0.908 1.00 32.00 H new ATOM 0 HB2 ALA A 52 5.314 -16.293 1.955 1.00 32.00 H new ATOM 0 HB3 ALA A 52 4.079 -16.757 0.760 1.00 32.00 H new ATOM 845 N LYS A 53 1.271 -16.150 1.236 1.00 5.41 N ATOM 846 CA LYS A 53 0.030 -15.790 0.560 1.00 0.44 C ATOM 847 C LYS A 53 -0.939 -15.110 1.523 1.00 71.50 C ATOM 848 O LYS A 53 -1.492 -14.050 1.222 1.00 53.30 O ATOM 849 CB LYS A 53 -0.624 -17.030 -0.050 1.00 53.40 C ATOM 850 CG LYS A 53 -1.814 -16.710 -0.941 1.00 75.40 C ATOM 851 CD LYS A 53 -1.859 -17.620 -2.157 1.00 70.30 C ATOM 852 CE LYS A 53 -3.133 -17.420 -2.961 1.00 13.40 C ATOM 853 NZ LYS A 53 -2.880 -17.470 -4.427 1.00 60.20 N ATOM 0 H LYS A 53 1.487 -17.147 1.215 1.00 5.41 H new ATOM 0 HA LYS A 53 0.273 -15.088 -0.238 1.00 0.44 H new ATOM 0 HB2 LYS A 53 0.120 -17.575 -0.632 1.00 53.40 H new ATOM 0 HB3 LYS A 53 -0.948 -17.692 0.753 1.00 53.40 H new ATOM 0 HG2 LYS A 53 -2.737 -16.817 -0.370 1.00 75.40 H new ATOM 0 HG3 LYS A 53 -1.759 -15.671 -1.265 1.00 75.40 H new ATOM 0 HD2 LYS A 53 -0.994 -17.424 -2.791 1.00 70.30 H new ATOM 0 HD3 LYS A 53 -1.790 -18.660 -1.837 1.00 70.30 H new ATOM 0 HE2 LYS A 53 -3.857 -18.189 -2.691 1.00 13.40 H new ATOM 0 HE3 LYS A 53 -3.578 -16.459 -2.702 1.00 13.40 H new ATOM 0 HZ1 LYS A 53 -3.774 -17.329 -4.939 1.00 60.20 H new ATOM 0 HZ2 LYS A 53 -2.209 -16.720 -4.689 1.00 60.20 H new ATOM 0 HZ3 LYS A 53 -2.479 -18.396 -4.679 1.00 60.20 H new ATOM 867 N GLU A 54 -1.140 -15.730 2.684 1.00 64.20 N ATOM 868 CA GLU A 54 -2.043 -15.180 3.691 1.00 13.50 C ATOM 869 C GLU A 54 -1.489 -13.890 4.276 1.00 40.10 C ATOM 870 O GLU A 54 -2.240 -12.960 4.570 1.00 33.10 O ATOM 871 CB GLU A 54 -2.268 -16.200 4.808 1.00 12.10 C ATOM 872 CG GLU A 54 -3.003 -17.450 4.350 1.00 14.30 C ATOM 873 CD GLU A 54 -4.507 -17.330 4.502 1.00 1.10 C ATOM 874 OE1 GLU A 54 -5.083 -16.360 3.968 1.00 71.10 O ATOM 875 OE2 GLU A 54 -5.110 -18.210 5.154 1.00 21.30 O ATOM 0 H GLU A 54 -0.693 -16.608 2.949 1.00 64.20 H new ATOM 0 HA GLU A 54 -2.994 -14.958 3.207 1.00 13.50 H new ATOM 0 HB2 GLU A 54 -1.303 -16.488 5.226 1.00 12.10 H new ATOM 0 HB3 GLU A 54 -2.835 -15.729 5.611 1.00 12.10 H new ATOM 0 HG2 GLU A 54 -2.762 -17.647 3.305 1.00 14.30 H new ATOM 0 HG3 GLU A 54 -2.650 -18.306 4.926 1.00 14.30 H new ATOM 882 N SER A 55 -0.172 -13.840 4.443 1.00 64.40 N ATOM 883 CA SER A 55 0.483 -12.650 4.993 1.00 52.10 C ATOM 884 C SER A 55 0.314 -11.450 4.067 1.00 72.20 C ATOM 885 O SER A 55 -0.053 -10.360 4.509 1.00 72.20 O ATOM 886 CB SER A 55 1.970 -12.930 5.221 1.00 53.00 C ATOM 887 OG SER A 55 2.641 -13.160 3.993 1.00 55.00 O ATOM 0 H SER A 55 0.463 -14.603 4.208 1.00 64.40 H new ATOM 0 HA SER A 55 0.010 -12.412 5.946 1.00 52.10 H new ATOM 0 HB2 SER A 55 2.427 -12.085 5.736 1.00 53.00 H new ATOM 0 HB3 SER A 55 2.084 -13.799 5.870 1.00 53.00 H new ATOM 0 HG SER A 55 1.995 -13.453 3.317 1.00 55.00 H new ATOM 893 N ILE A 56 0.587 -11.660 2.783 1.00 74.20 N ATOM 894 CA ILE A 56 0.466 -10.590 1.797 1.00 60.40 C ATOM 895 C ILE A 56 -0.990 -10.180 1.604 1.00 41.10 C ATOM 896 O ILE A 56 -1.303 -8.997 1.511 1.00 74.00 O ATOM 897 CB ILE A 56 1.056 -11.010 0.436 1.00 33.10 C ATOM 898 CG1 ILE A 56 2.475 -11.550 0.614 1.00 11.00 C ATOM 899 CG2 ILE A 56 1.052 -9.841 -0.531 1.00 41.30 C ATOM 900 CD1 ILE A 56 2.836 -12.640 -0.376 1.00 21.40 C ATOM 0 H ILE A 56 0.892 -12.556 2.402 1.00 74.20 H new ATOM 0 HA ILE A 56 1.030 -9.741 2.182 1.00 60.40 H new ATOM 0 HB ILE A 56 0.433 -11.802 0.021 1.00 33.10 H new ATOM 0 HG12 ILE A 56 3.184 -10.728 0.512 1.00 11.00 H new ATOM 0 HG13 ILE A 56 2.583 -11.939 1.626 1.00 11.00 H new ATOM 0 HG21 ILE A 56 1.472 -10.157 -1.486 1.00 41.30 H new ATOM 0 HG22 ILE A 56 0.029 -9.496 -0.681 1.00 41.30 H new ATOM 0 HG23 ILE A 56 1.652 -9.028 -0.122 1.00 41.30 H new ATOM 0 HD11 ILE A 56 3.856 -12.976 -0.191 1.00 21.40 H new ATOM 0 HD12 ILE A 56 2.151 -13.479 -0.259 1.00 21.40 H new ATOM 0 HD13 ILE A 56 2.761 -12.249 -1.391 1.00 21.40 H new ATOM 912 N ARG A 57 -1.877 -11.170 1.546 1.00 3.03 N ATOM 913 CA ARG A 57 -3.299 -10.910 1.363 1.00 51.50 C ATOM 914 C ARG A 57 -3.848 -10.050 2.501 1.00 33.00 C ATOM 915 O ARG A 57 -4.717 -9.211 2.292 1.00 54.20 O ATOM 916 CB ARG A 57 -4.075 -12.220 1.280 1.00 34.40 C ATOM 917 CG ARG A 57 -5.335 -12.140 0.435 1.00 54.10 C ATOM 918 CD ARG A 57 -5.008 -11.930 -1.035 1.00 72.30 C ATOM 919 NE ARG A 57 -6.161 -12.180 -1.895 1.00 22.20 N ATOM 920 CZ ARG A 57 -7.157 -11.320 -2.075 1.00 51.30 C ATOM 921 NH1 ARG A 57 -7.145 -10.140 -1.457 1.00 43.40 N ATOM 922 NH2 ARG A 57 -8.167 -11.630 -2.875 1.00 51.10 N ATOM 0 H ARG A 57 -1.635 -12.158 1.623 1.00 3.03 H new ATOM 0 HA ARG A 57 -3.423 -10.365 0.427 1.00 51.50 H new ATOM 0 HB2 ARG A 57 -3.423 -12.991 0.869 1.00 34.40 H new ATOM 0 HB3 ARG A 57 -4.345 -12.535 2.288 1.00 34.40 H new ATOM 0 HG2 ARG A 57 -5.912 -13.057 0.553 1.00 54.10 H new ATOM 0 HG3 ARG A 57 -5.961 -11.321 0.790 1.00 54.10 H new ATOM 0 HD2 ARG A 57 -4.658 -10.909 -1.186 1.00 72.30 H new ATOM 0 HD3 ARG A 57 -4.191 -12.592 -1.323 1.00 72.30 H new ATOM 0 HE ARG A 57 -6.204 -13.071 -2.389 1.00 22.20 H new ATOM 0 HH11 ARG A 57 -6.369 -9.894 -0.843 1.00 43.40 H new ATOM 0 HH12 ARG A 57 -7.912 -9.483 -1.598 1.00 43.40 H new ATOM 0 HH21 ARG A 57 -8.180 -12.531 -3.354 1.00 51.10 H new ATOM 0 HH22 ARG A 57 -8.931 -10.968 -3.012 1.00 51.10 H new ATOM 936 N ALA A 58 -3.336 -10.280 3.706 1.00 34.30 N ATOM 937 CA ALA A 58 -3.774 -9.538 4.877 1.00 55.20 C ATOM 938 C ALA A 58 -3.187 -8.130 4.887 1.00 2.14 C ATOM 939 O ALA A 58 -3.790 -7.199 5.421 1.00 24.50 O ATOM 940 CB ALA A 58 -3.390 -10.270 6.149 1.00 5.34 C ATOM 0 H ALA A 58 -2.615 -10.977 3.895 1.00 34.30 H new ATOM 0 HA ALA A 58 -4.860 -9.457 4.831 1.00 55.20 H new ATOM 0 HB1 ALA A 58 -3.727 -9.698 7.014 1.00 5.34 H new ATOM 0 HB2 ALA A 58 -3.860 -11.253 6.159 1.00 5.34 H new ATOM 0 HB3 ALA A 58 -2.307 -10.385 6.190 1.00 5.34 H new ATOM 946 N LYS A 59 -2.006 -7.981 4.296 1.00 52.10 N ATOM 947 CA LYS A 59 -1.337 -6.686 4.239 1.00 53.40 C ATOM 948 C LYS A 59 -1.996 -5.772 3.210 1.00 31.10 C ATOM 949 O LYS A 59 -2.232 -4.592 3.474 1.00 72.10 O ATOM 950 CB LYS A 59 0.144 -6.868 3.903 1.00 53.50 C ATOM 951 CG LYS A 59 1.041 -6.951 5.127 1.00 30.10 C ATOM 952 CD LYS A 59 2.507 -6.788 4.757 1.00 73.10 C ATOM 953 CE LYS A 59 3.416 -7.116 5.929 1.00 62.40 C ATOM 954 NZ LYS A 59 4.646 -7.836 5.494 1.00 61.20 N ATOM 0 H LYS A 59 -1.492 -8.741 3.850 1.00 52.10 H new ATOM 0 HA LYS A 59 -1.426 -6.218 5.220 1.00 53.40 H new ATOM 0 HB2 LYS A 59 0.265 -7.776 3.312 1.00 53.50 H new ATOM 0 HB3 LYS A 59 0.471 -6.036 3.279 1.00 53.50 H new ATOM 0 HG2 LYS A 59 0.757 -6.178 5.841 1.00 30.10 H new ATOM 0 HG3 LYS A 59 0.894 -7.911 5.622 1.00 30.10 H new ATOM 0 HD2 LYS A 59 2.746 -7.439 3.916 1.00 73.10 H new ATOM 0 HD3 LYS A 59 2.689 -5.765 4.429 1.00 73.10 H new ATOM 0 HE2 LYS A 59 3.696 -6.195 6.440 1.00 62.40 H new ATOM 0 HE3 LYS A 59 2.873 -7.728 6.649 1.00 62.40 H new ATOM 0 HZ1 LYS A 59 5.239 -8.041 6.323 1.00 61.20 H new ATOM 0 HZ2 LYS A 59 4.380 -8.727 5.029 1.00 61.20 H new ATOM 0 HZ3 LYS A 59 5.178 -7.242 4.826 1.00 61.20 H new ATOM 968 N CYS A 60 -2.287 -6.322 2.035 1.00 61.30 N ATOM 969 CA CYS A 60 -2.913 -5.552 0.965 1.00 33.40 C ATOM 970 C CYS A 60 -4.317 -5.101 1.360 1.00 61.50 C ATOM 971 O CYS A 60 -4.716 -3.971 1.081 1.00 20.50 O ATOM 972 CB CYS A 60 -2.974 -6.382 -0.319 1.00 5.00 C ATOM 973 SG CYS A 60 -4.027 -7.847 -0.205 1.00 0.35 S ATOM 0 H CYS A 60 -2.100 -7.297 1.800 1.00 61.30 H new ATOM 0 HA CYS A 60 -2.305 -4.664 0.790 1.00 33.40 H new ATOM 0 HB2 CYS A 60 -3.336 -5.750 -1.130 1.00 5.00 H new ATOM 0 HB3 CYS A 60 -1.964 -6.694 -0.585 1.00 5.00 H new ATOM 0 HG CYS A 60 -4.154 -8.195 1.041 1.00 0.35 H new ATOM 979 N VAL A 61 -5.061 -5.991 2.007 1.00 50.20 N ATOM 980 CA VAL A 61 -6.420 -5.681 2.436 1.00 3.30 C ATOM 981 C VAL A 61 -6.426 -4.607 3.520 1.00 31.40 C ATOM 982 O VAL A 61 -7.319 -3.762 3.564 1.00 14.40 O ATOM 983 CB VAL A 61 -7.144 -6.937 2.962 1.00 73.30 C ATOM 984 CG1 VAL A 61 -6.427 -7.500 4.179 1.00 64.30 C ATOM 985 CG2 VAL A 61 -8.596 -6.623 3.286 1.00 44.30 C ATOM 0 H VAL A 61 -4.747 -6.932 2.246 1.00 50.20 H new ATOM 0 HA VAL A 61 -6.950 -5.307 1.560 1.00 3.30 H new ATOM 0 HB VAL A 61 -7.128 -7.695 2.179 1.00 73.30 H new ATOM 0 HG11 VAL A 61 -6.954 -8.386 4.534 1.00 64.30 H new ATOM 0 HG12 VAL A 61 -5.406 -7.770 3.908 1.00 64.30 H new ATOM 0 HG13 VAL A 61 -6.406 -6.749 4.969 1.00 64.30 H new ATOM 0 HG21 VAL A 61 -9.089 -7.522 3.655 1.00 44.30 H new ATOM 0 HG22 VAL A 61 -8.639 -5.846 4.049 1.00 44.30 H new ATOM 0 HG23 VAL A 61 -9.103 -6.275 2.386 1.00 44.30 H new ATOM 995 N GLN A 62 -5.425 -4.647 4.392 1.00 63.20 N ATOM 996 CA GLN A 62 -5.317 -3.677 5.477 1.00 32.50 C ATOM 997 C GLN A 62 -4.981 -2.291 4.935 1.00 20.20 C ATOM 998 O GLN A 62 -5.527 -1.286 5.392 1.00 74.10 O ATOM 999 CB GLN A 62 -4.251 -4.121 6.482 1.00 34.40 C ATOM 1000 CG GLN A 62 -4.754 -4.176 7.916 1.00 10.20 C ATOM 1001 CD GLN A 62 -4.768 -5.585 8.477 1.00 10.20 C ATOM 1002 OE1 GLN A 62 -3.737 -6.255 8.529 1.00 2.54 O ATOM 1003 NE2 GLN A 62 -5.941 -6.041 8.901 1.00 63.50 N ATOM 0 H GLN A 62 -4.677 -5.340 4.369 1.00 63.20 H new ATOM 0 HA GLN A 62 -6.281 -3.624 5.983 1.00 32.50 H new ATOM 0 HB2 GLN A 62 -3.882 -5.106 6.197 1.00 34.40 H new ATOM 0 HB3 GLN A 62 -3.405 -3.436 6.428 1.00 34.40 H new ATOM 0 HG2 GLN A 62 -4.123 -3.546 8.543 1.00 10.20 H new ATOM 0 HG3 GLN A 62 -5.761 -3.762 7.960 1.00 10.20 H new ATOM 0 HE21 GLN A 62 -6.770 -5.451 8.839 1.00 63.50 H new ATOM 0 HE22 GLN A 62 -6.013 -6.982 9.289 1.00 63.50 H new ATOM 1012 N TYR A 63 -4.078 -2.244 3.961 1.00 11.20 N ATOM 1013 CA TYR A 63 -3.669 -0.980 3.359 1.00 41.50 C ATOM 1014 C TYR A 63 -4.786 -0.397 2.500 1.00 22.00 C ATOM 1015 O TYR A 63 -4.975 0.819 2.452 1.00 55.10 O ATOM 1016 CB TYR A 63 -2.409 -1.179 2.513 1.00 1.52 C ATOM 1017 CG TYR A 63 -1.185 -1.536 3.326 1.00 34.10 C ATOM 1018 CD1 TYR A 63 -0.830 -0.795 4.446 1.00 64.10 C ATOM 1019 CD2 TYR A 63 -0.384 -2.615 2.973 1.00 32.30 C ATOM 1020 CE1 TYR A 63 0.288 -1.118 5.191 1.00 52.50 C ATOM 1021 CE2 TYR A 63 0.736 -2.945 3.713 1.00 11.00 C ATOM 1022 CZ TYR A 63 1.068 -2.193 4.821 1.00 1.35 C ATOM 1023 OH TYR A 63 2.182 -2.518 5.560 1.00 40.10 O ATOM 0 H TYR A 63 -3.616 -3.066 3.572 1.00 11.20 H new ATOM 0 HA TYR A 63 -3.452 -0.277 4.163 1.00 41.50 H new ATOM 0 HB2 TYR A 63 -2.592 -1.967 1.783 1.00 1.52 H new ATOM 0 HB3 TYR A 63 -2.209 -0.265 1.953 1.00 1.52 H new ATOM 0 HD1 TYR A 63 -1.438 0.048 4.739 1.00 64.10 H new ATOM 0 HD2 TYR A 63 -0.641 -3.206 2.106 1.00 32.30 H new ATOM 0 HE1 TYR A 63 0.550 -0.531 6.059 1.00 52.50 H new ATOM 0 HE2 TYR A 63 1.348 -3.787 3.425 1.00 11.00 H new ATOM 0 HH TYR A 63 2.619 -3.301 5.165 1.00 40.10 H new ATOM 1033 N LEU A 64 -5.521 -1.270 1.820 1.00 12.50 N ATOM 1034 CA LEU A 64 -6.619 -0.840 0.962 1.00 40.00 C ATOM 1035 C LEU A 64 -7.676 -0.086 1.763 1.00 43.30 C ATOM 1036 O LEU A 64 -8.183 0.945 1.325 1.00 4.24 O ATOM 1037 CB LEU A 64 -7.252 -2.048 0.265 1.00 64.10 C ATOM 1038 CG LEU A 64 -6.780 -2.289 -1.169 1.00 2.05 C ATOM 1039 CD1 LEU A 64 -6.926 -3.757 -1.540 1.00 3.10 C ATOM 1040 CD2 LEU A 64 -7.557 -1.412 -2.140 1.00 13.10 C ATOM 0 H LEU A 64 -5.376 -2.279 1.846 1.00 12.50 H new ATOM 0 HA LEU A 64 -6.214 -0.165 0.208 1.00 40.00 H new ATOM 0 HB2 LEU A 64 -7.042 -2.940 0.855 1.00 64.10 H new ATOM 0 HB3 LEU A 64 -8.334 -1.918 0.258 1.00 64.10 H new ATOM 0 HG LEU A 64 -5.725 -2.023 -1.234 1.00 2.05 H new ATOM 0 HD11 LEU A 64 -6.585 -3.909 -2.564 1.00 3.10 H new ATOM 0 HD12 LEU A 64 -6.325 -4.365 -0.863 1.00 3.10 H new ATOM 0 HD13 LEU A 64 -7.973 -4.051 -1.459 1.00 3.10 H new ATOM 0 HD21 LEU A 64 -7.208 -1.596 -3.156 1.00 13.10 H new ATOM 0 HD22 LEU A 64 -8.619 -1.647 -2.073 1.00 13.10 H new ATOM 0 HD23 LEU A 64 -7.401 -0.363 -1.888 1.00 13.10 H new ATOM 1052 N ASP A 65 -8.003 -0.611 2.941 1.00 45.10 N ATOM 1053 CA ASP A 65 -9.000 0.013 3.804 1.00 4.54 C ATOM 1054 C ASP A 65 -8.497 1.349 4.342 1.00 43.10 C ATOM 1055 O ASP A 65 -9.259 2.309 4.459 1.00 24.10 O ATOM 1056 CB ASP A 65 -9.353 -0.918 4.965 1.00 62.10 C ATOM 1057 CG ASP A 65 -10.800 -0.790 5.388 1.00 21.10 C ATOM 1058 OD1 ASP A 65 -11.100 0.111 6.197 1.00 32.40 O ATOM 1059 OD2 ASP A 65 -11.630 -1.593 4.911 1.00 54.40 O ATOM 0 H ASP A 65 -7.593 -1.465 3.319 1.00 45.10 H new ATOM 0 HA ASP A 65 -9.895 0.197 3.209 1.00 4.54 H new ATOM 0 HB2 ASP A 65 -9.152 -1.949 4.674 1.00 62.10 H new ATOM 0 HB3 ASP A 65 -8.708 -0.695 5.815 1.00 62.10 H new ATOM 1064 N ARG A 66 -7.211 1.403 4.670 1.00 25.30 N ATOM 1065 CA ARG A 66 -6.607 2.621 5.198 1.00 53.30 C ATOM 1066 C ARG A 66 -6.545 3.707 4.128 1.00 34.10 C ATOM 1067 O ARG A 66 -6.724 4.889 4.418 1.00 44.00 O ATOM 1068 CB ARG A 66 -5.202 2.330 5.730 1.00 63.10 C ATOM 1069 CG ARG A 66 -4.885 3.046 7.033 1.00 24.30 C ATOM 1070 CD ARG A 66 -4.330 4.439 6.785 1.00 65.20 C ATOM 1071 NE ARG A 66 -4.936 5.435 7.665 1.00 31.10 N ATOM 1072 CZ ARG A 66 -4.659 5.545 8.962 1.00 30.20 C ATOM 1073 NH1 ARG A 66 -3.785 4.725 9.533 1.00 43.20 N ATOM 1074 NH2 ARG A 66 -5.257 6.479 9.690 1.00 63.50 N ATOM 0 H ARG A 66 -6.566 0.618 4.580 1.00 25.30 H new ATOM 0 HA ARG A 66 -7.230 2.980 6.017 1.00 53.30 H new ATOM 0 HB2 ARG A 66 -5.094 1.256 5.880 1.00 63.10 H new ATOM 0 HB3 ARG A 66 -4.470 2.622 4.977 1.00 63.10 H new ATOM 0 HG2 ARG A 66 -5.788 3.116 7.639 1.00 24.30 H new ATOM 0 HG3 ARG A 66 -4.163 2.462 7.603 1.00 24.30 H new ATOM 0 HD2 ARG A 66 -3.251 4.431 6.936 1.00 65.20 H new ATOM 0 HD3 ARG A 66 -4.505 4.719 5.746 1.00 65.20 H new ATOM 0 HE ARG A 66 -5.611 6.084 7.262 1.00 31.10 H new ATOM 0 HH11 ARG A 66 -3.322 4.006 8.977 1.00 43.20 H new ATOM 0 HH12 ARG A 66 -3.577 4.814 10.528 1.00 43.20 H new ATOM 0 HH21 ARG A 66 -5.928 7.112 9.256 1.00 63.50 H new ATOM 0 HH22 ARG A 66 -5.045 6.564 10.684 1.00 63.50 H new ATOM 1088 N ALA A 67 -6.291 3.297 2.890 1.00 70.10 N ATOM 1089 CA ALA A 67 -6.206 4.234 1.777 1.00 30.20 C ATOM 1090 C ALA A 67 -7.553 4.898 1.512 1.00 30.30 C ATOM 1091 O ALA A 67 -7.632 6.112 1.331 1.00 12.00 O ATOM 1092 CB ALA A 67 -5.711 3.523 0.526 1.00 74.20 C ATOM 0 H ALA A 67 -6.140 2.322 2.632 1.00 70.10 H new ATOM 0 HA ALA A 67 -5.494 5.014 2.045 1.00 30.20 H new ATOM 0 HB1 ALA A 67 -5.652 4.234 -0.298 1.00 74.20 H new ATOM 0 HB2 ALA A 67 -4.723 3.102 0.713 1.00 74.20 H new ATOM 0 HB3 ALA A 67 -6.403 2.722 0.265 1.00 74.20 H new ATOM 1098 N GLU A 68 -8.610 4.092 1.490 1.00 13.20 N ATOM 1099 CA GLU A 68 -9.954 4.602 1.247 1.00 4.35 C ATOM 1100 C GLU A 68 -10.350 5.620 2.311 1.00 54.50 C ATOM 1101 O GLU A 68 -11.090 6.561 2.037 1.00 54.20 O ATOM 1102 CB GLU A 68 -10.960 3.452 1.224 1.00 34.20 C ATOM 1103 CG GLU A 68 -11.160 2.847 -0.156 1.00 14.30 C ATOM 1104 CD GLU A 68 -12.490 2.143 -0.295 1.00 71.10 C ATOM 1105 OE1 GLU A 68 -12.580 0.947 0.058 1.00 43.40 O ATOM 1106 OE2 GLU A 68 -13.460 2.787 -0.757 1.00 3.02 O ATOM 0 H GLU A 68 -8.561 3.084 1.637 1.00 13.20 H new ATOM 0 HA GLU A 68 -9.958 5.099 0.277 1.00 4.35 H new ATOM 0 HB2 GLU A 68 -10.624 2.673 1.908 1.00 34.20 H new ATOM 0 HB3 GLU A 68 -11.919 3.812 1.597 1.00 34.20 H new ATOM 0 HG2 GLU A 68 -11.089 3.634 -0.907 1.00 14.30 H new ATOM 0 HG3 GLU A 68 -10.356 2.140 -0.359 1.00 14.30 H new ATOM 1113 N LYS A 69 -9.849 5.426 3.526 1.00 42.30 N ATOM 1114 CA LYS A 69 -10.150 6.327 4.632 1.00 4.23 C ATOM 1115 C LYS A 69 -9.537 7.704 4.396 1.00 41.00 C ATOM 1116 O LYS A 69 -10.140 8.727 4.705 1.00 0.42 O ATOM 1117 CB LYS A 69 -9.636 5.744 5.949 1.00 10.50 C ATOM 1118 CG LYS A 69 -10.160 6.465 7.180 1.00 53.00 C ATOM 1119 CD LYS A 69 -9.029 6.963 8.065 1.00 33.50 C ATOM 1120 CE LYS A 69 -8.340 8.175 7.459 1.00 44.50 C ATOM 1121 NZ LYS A 69 -7.948 9.167 8.497 1.00 15.50 N ATOM 0 H LYS A 69 -9.232 4.652 3.770 1.00 42.30 H new ATOM 0 HA LYS A 69 -11.233 6.438 4.692 1.00 4.23 H new ATOM 0 HB2 LYS A 69 -9.919 4.693 6.006 1.00 10.50 H new ATOM 0 HB3 LYS A 69 -8.547 5.782 5.953 1.00 10.50 H new ATOM 0 HG2 LYS A 69 -10.779 7.308 6.872 1.00 53.00 H new ATOM 0 HG3 LYS A 69 -10.799 5.792 7.751 1.00 53.00 H new ATOM 0 HD2 LYS A 69 -9.422 7.220 9.049 1.00 33.50 H new ATOM 0 HD3 LYS A 69 -8.301 6.165 8.211 1.00 33.50 H new ATOM 0 HE2 LYS A 69 -7.454 7.853 6.912 1.00 44.50 H new ATOM 0 HE3 LYS A 69 -9.006 8.648 6.738 1.00 44.50 H new ATOM 0 HZ1 LYS A 69 -7.481 9.978 8.043 1.00 15.50 H new ATOM 0 HZ2 LYS A 69 -8.796 9.494 9.003 1.00 15.50 H new ATOM 0 HZ3 LYS A 69 -7.292 8.723 9.171 1.00 15.50 H new ATOM 1135 N LEU A 70 -8.327 7.720 3.848 1.00 61.10 N ATOM 1136 CA LEU A 70 -7.630 8.969 3.573 1.00 4.23 C ATOM 1137 C LEU A 70 -8.320 9.744 2.454 1.00 63.30 C ATOM 1138 O LEU A 70 -8.431 10.969 2.511 1.00 5.34 O ATOM 1139 CB LEU A 70 -6.174 8.693 3.192 1.00 63.20 C ATOM 1140 CG LEU A 70 -5.432 7.734 4.125 1.00 5.21 C ATOM 1141 CD1 LEU A 70 -4.415 6.913 3.349 1.00 73.30 C ATOM 1142 CD2 LEU A 70 -4.753 8.505 5.247 1.00 2.32 C ATOM 0 H LEU A 70 -7.809 6.881 3.586 1.00 61.10 H new ATOM 0 HA LEU A 70 -7.654 9.574 4.479 1.00 4.23 H new ATOM 0 HB2 LEU A 70 -6.150 8.285 2.182 1.00 63.20 H new ATOM 0 HB3 LEU A 70 -5.635 9.640 3.166 1.00 63.20 H new ATOM 0 HG LEU A 70 -6.158 7.051 4.566 1.00 5.21 H new ATOM 0 HD11 LEU A 70 -3.898 6.237 4.030 1.00 73.30 H new ATOM 0 HD12 LEU A 70 -4.926 6.333 2.580 1.00 73.30 H new ATOM 0 HD13 LEU A 70 -3.691 7.579 2.880 1.00 73.30 H new ATOM 0 HD21 LEU A 70 -4.230 7.809 5.902 1.00 2.32 H new ATOM 0 HD22 LEU A 70 -4.039 9.211 4.823 1.00 2.32 H new ATOM 0 HD23 LEU A 70 -5.503 9.049 5.821 1.00 2.32 H new ATOM 1154 N LYS A 71 -8.782 9.022 1.439 1.00 73.20 N ATOM 1155 CA LYS A 71 -9.463 9.642 0.307 1.00 10.10 C ATOM 1156 C LYS A 71 -10.720 10.365 0.760 1.00 11.20 C ATOM 1157 O LYS A 71 -11.010 11.470 0.305 1.00 72.10 O ATOM 1158 CB LYS A 71 -9.813 8.588 -0.744 1.00 4.12 C ATOM 1159 CG LYS A 71 -10.320 9.176 -2.049 1.00 31.20 C ATOM 1160 CD LYS A 71 -11.250 8.209 -2.770 1.00 63.40 C ATOM 1161 CE LYS A 71 -11.010 8.229 -4.274 1.00 32.40 C ATOM 1162 NZ LYS A 71 -12.100 8.950 -4.994 1.00 24.20 N ATOM 0 H LYS A 71 -8.698 8.007 1.376 1.00 73.20 H new ATOM 0 HA LYS A 71 -8.787 10.374 -0.136 1.00 10.10 H new ATOM 0 HB2 LYS A 71 -8.930 7.982 -0.947 1.00 4.12 H new ATOM 0 HB3 LYS A 71 -10.572 7.919 -0.337 1.00 4.12 H new ATOM 0 HG2 LYS A 71 -10.847 10.109 -1.849 1.00 31.20 H new ATOM 0 HG3 LYS A 71 -9.475 9.419 -2.693 1.00 31.20 H new ATOM 0 HD2 LYS A 71 -11.096 7.200 -2.388 1.00 63.40 H new ATOM 0 HD3 LYS A 71 -12.287 8.474 -2.561 1.00 63.40 H new ATOM 0 HE2 LYS A 71 -10.054 8.709 -4.484 1.00 32.40 H new ATOM 0 HE3 LYS A 71 -10.942 7.207 -4.646 1.00 32.40 H new ATOM 0 HZ1 LYS A 71 -11.737 9.316 -5.897 1.00 24.20 H new ATOM 0 HZ2 LYS A 71 -12.887 8.296 -5.177 1.00 24.20 H new ATOM 0 HZ3 LYS A 71 -12.437 9.742 -4.410 1.00 24.20 H new ATOM 1176 N ASP A 72 -11.470 9.732 1.659 1.00 53.40 N ATOM 1177 CA ASP A 72 -12.700 10.315 2.174 1.00 53.20 C ATOM 1178 C ASP A 72 -12.410 11.502 3.086 1.00 21.20 C ATOM 1179 O ASP A 72 -13.180 12.462 3.139 1.00 33.00 O ATOM 1180 CB ASP A 72 -13.510 9.262 2.933 1.00 20.30 C ATOM 1181 CG ASP A 72 -14.990 9.580 2.963 1.00 4.11 C ATOM 1182 OD1 ASP A 72 -15.650 9.448 1.908 1.00 22.20 O ATOM 1183 OD2 ASP A 72 -15.500 9.962 4.040 1.00 20.10 O ATOM 0 H ASP A 72 -11.245 8.815 2.044 1.00 53.40 H new ATOM 0 HA ASP A 72 -13.281 10.671 1.324 1.00 53.20 H new ATOM 0 HB2 ASP A 72 -13.360 8.288 2.467 1.00 20.30 H new ATOM 0 HB3 ASP A 72 -13.137 9.188 3.954 1.00 20.30 H new ATOM 1188 N TYR A 73 -11.290 11.426 3.803 1.00 74.10 N ATOM 1189 CA TYR A 73 -10.890 12.494 4.713 1.00 65.30 C ATOM 1190 C TYR A 73 -10.580 13.774 3.948 1.00 73.20 C ATOM 1191 O TYR A 73 -11.070 14.850 4.281 1.00 43.30 O ATOM 1192 CB TYR A 73 -9.685 12.065 5.538 1.00 55.20 C ATOM 1193 CG TYR A 73 -9.244 13.098 6.550 1.00 10.10 C ATOM 1194 CD1 TYR A 73 -8.401 14.140 6.184 1.00 42.30 C ATOM 1195 CD2 TYR A 73 -9.670 13.032 7.871 1.00 4.15 C ATOM 1196 CE1 TYR A 73 -7.995 15.087 7.106 1.00 2.31 C ATOM 1197 CE2 TYR A 73 -9.269 13.974 8.798 1.00 4.14 C ATOM 1198 CZ TYR A 73 -8.432 14.999 8.411 1.00 64.30 C ATOM 1199 OH TYR A 73 -8.030 15.940 9.331 1.00 71.30 O ATOM 0 H TYR A 73 -10.645 10.636 3.770 1.00 74.10 H new ATOM 0 HA TYR A 73 -11.723 12.694 5.387 1.00 65.30 H new ATOM 0 HB2 TYR A 73 -9.924 11.138 6.059 1.00 55.20 H new ATOM 0 HB3 TYR A 73 -8.854 11.849 4.866 1.00 55.20 H new ATOM 0 HD1 TYR A 73 -8.057 14.211 5.163 1.00 42.30 H new ATOM 0 HD2 TYR A 73 -10.326 12.231 8.178 1.00 4.15 H new ATOM 0 HE1 TYR A 73 -7.339 15.891 6.806 1.00 2.31 H new ATOM 0 HE2 TYR A 73 -9.609 13.908 9.821 1.00 4.14 H new ATOM 0 HH TYR A 73 -8.427 15.735 10.203 1.00 71.30 H new ATOM 1209 N LEU A 74 -9.748 13.650 2.919 1.00 54.50 N ATOM 1210 CA LEU A 74 -9.362 14.797 2.105 1.00 50.40 C ATOM 1211 C LEU A 74 -10.520 15.262 1.232 1.00 32.30 C ATOM 1212 O LEU A 74 -10.660 16.452 0.951 1.00 73.40 O ATOM 1213 CB LEU A 74 -8.159 14.445 1.228 1.00 40.30 C ATOM 1214 CG LEU A 74 -8.365 13.251 0.296 1.00 71.30 C ATOM 1215 CD1 LEU A 74 -8.895 13.713 -1.053 1.00 34.20 C ATOM 1216 CD2 LEU A 74 -7.064 12.480 0.124 1.00 62.30 C ATOM 0 H LEU A 74 -9.328 12.767 2.629 1.00 54.50 H new ATOM 0 HA LEU A 74 -9.089 15.610 2.778 1.00 50.40 H new ATOM 0 HB2 LEU A 74 -7.900 15.316 0.626 1.00 40.30 H new ATOM 0 HB3 LEU A 74 -7.306 14.239 1.874 1.00 40.30 H new ATOM 0 HG LEU A 74 -9.103 12.586 0.745 1.00 71.30 H new ATOM 0 HD11 LEU A 74 -9.036 12.850 -1.704 1.00 34.20 H new ATOM 0 HD12 LEU A 74 -9.849 14.222 -0.914 1.00 34.20 H new ATOM 0 HD13 LEU A 74 -8.181 14.399 -1.509 1.00 34.20 H new ATOM 0 HD21 LEU A 74 -7.228 11.633 -0.542 1.00 62.30 H new ATOM 0 HD22 LEU A 74 -6.306 13.136 -0.303 1.00 62.30 H new ATOM 0 HD23 LEU A 74 -6.725 12.118 1.094 1.00 62.30 H new ATOM 1228 N ARG A 75 -11.350 14.315 0.806 1.00 21.40 N ATOM 1229 CA ARG A 75 -12.500 14.628 -0.036 1.00 20.50 C ATOM 1230 C ARG A 75 -13.510 15.488 0.719 1.00 24.20 C ATOM 1231 O ARG A 75 -14.030 16.463 0.181 1.00 32.30 O ATOM 1232 CB ARG A 75 -13.170 13.341 -0.521 1.00 45.10 C ATOM 1233 CG ARG A 75 -12.640 12.849 -1.860 1.00 53.50 C ATOM 1234 CD ARG A 75 -13.770 12.419 -2.781 1.00 5.21 C ATOM 1235 NE ARG A 75 -13.370 12.447 -4.187 1.00 33.40 N ATOM 1236 CZ ARG A 75 -13.230 13.566 -4.893 1.00 14.10 C ATOM 1237 NH1 ARG A 75 -13.450 14.748 -4.332 1.00 50.10 N ATOM 1238 NH2 ARG A 75 -12.860 13.502 -6.167 1.00 43.40 N ATOM 0 H ARG A 75 -11.248 13.325 1.030 1.00 21.40 H new ATOM 0 HA ARG A 75 -12.144 15.191 -0.899 1.00 20.50 H new ATOM 0 HB2 ARG A 75 -13.025 12.561 0.227 1.00 45.10 H new ATOM 0 HB3 ARG A 75 -14.244 13.508 -0.603 1.00 45.10 H new ATOM 0 HG2 ARG A 75 -12.062 13.640 -2.337 1.00 53.50 H new ATOM 0 HG3 ARG A 75 -11.962 12.011 -1.699 1.00 53.50 H new ATOM 0 HD2 ARG A 75 -14.091 11.412 -2.515 1.00 5.21 H new ATOM 0 HD3 ARG A 75 -14.627 13.076 -2.635 1.00 5.21 H new ATOM 0 HE ARG A 75 -13.188 11.558 -4.653 1.00 33.40 H new ATOM 0 HH11 ARG A 75 -13.729 14.804 -3.352 1.00 50.10 H new ATOM 0 HH12 ARG A 75 -13.340 15.601 -4.880 1.00 50.10 H new ATOM 0 HH21 ARG A 75 -12.684 12.596 -6.602 1.00 43.40 H new ATOM 0 HH22 ARG A 75 -12.752 14.358 -6.710 1.00 43.40 H new ATOM 1252 N SER A 76 -13.770 15.120 1.968 1.00 2.21 N ATOM 1253 CA SER A 76 -14.720 15.858 2.798 1.00 24.10 C ATOM 1254 C SER A 76 -14.190 17.249 3.123 1.00 50.30 C ATOM 1255 O SER A 76 -14.930 18.234 3.075 1.00 43.30 O ATOM 1256 CB SER A 76 -15.000 15.091 4.091 1.00 14.50 C ATOM 1257 OG SER A 76 -16.320 15.341 4.556 1.00 22.10 O ATOM 0 H SER A 76 -13.339 14.318 2.429 1.00 2.21 H new ATOM 0 HA SER A 76 -15.649 15.965 2.238 1.00 24.10 H new ATOM 0 HB2 SER A 76 -14.867 14.023 3.920 1.00 14.50 H new ATOM 0 HB3 SER A 76 -14.280 15.384 4.855 1.00 14.50 H new ATOM 0 HG SER A 76 -16.476 14.839 5.383 1.00 22.10 H new