USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 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 28:sc= 0.199 USER MOD Single : A 7 GLN : amide:sc= 0.147 X(o=0.15,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 84:sc= 1.19 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= -0.376 X(o=-0.38,f=-0.12) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0736 K(o=-0.074,f=-0.62) USER MOD Single : A 34 HIS : no HD1:sc= -0.256 X(o=-0.26,f=0.042) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -3.07 K(o=-3.1,f=-4!) USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= 0.0301 (180deg=0.0012) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.057) 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 -28:sc= -0.45 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot -20:sc= -0.616 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) 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=-0.119) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.466 -6.385 -6.454 1.00 5.03 N ATOM 60 CA THR A 5 8.054 -6.030 -6.387 1.00 40.30 C ATOM 61 C THR A 5 7.582 -5.945 -4.939 1.00 51.50 C ATOM 62 O THR A 5 6.802 -5.064 -4.580 1.00 22.20 O ATOM 63 CB THR A 5 7.212 -7.054 -7.150 1.00 13.20 C ATOM 64 OG1 THR A 5 7.745 -7.277 -8.443 1.00 5.00 O ATOM 65 CG2 THR A 5 5.767 -6.637 -7.314 1.00 11.30 C ATOM 0 HA THR A 5 7.930 -5.051 -6.849 1.00 40.30 H new ATOM 0 HB THR A 5 7.245 -7.962 -6.548 1.00 13.20 H new ATOM 0 HG1 THR A 5 8.711 -7.114 -8.431 1.00 5.00 H new ATOM 0 HG21 THR A 5 5.226 -7.407 -7.864 1.00 11.30 H new ATOM 0 HG22 THR A 5 5.313 -6.505 -6.332 1.00 11.30 H new ATOM 0 HG23 THR A 5 5.720 -5.698 -7.865 1.00 11.30 H new ATOM 73 N LEU A 6 8.062 -6.868 -4.111 1.00 71.30 N ATOM 74 CA LEU A 6 7.689 -6.897 -2.701 1.00 5.50 C ATOM 75 C LEU A 6 8.380 -5.775 -1.932 1.00 14.10 C ATOM 76 O LEU A 6 7.815 -5.212 -0.995 1.00 52.20 O ATOM 77 CB LEU A 6 8.049 -8.250 -2.084 1.00 53.50 C ATOM 78 CG LEU A 6 7.091 -8.741 -0.997 1.00 44.30 C ATOM 79 CD1 LEU A 6 6.023 -9.644 -1.596 1.00 61.30 C ATOM 80 CD2 LEU A 6 7.855 -9.470 0.098 1.00 61.10 C ATOM 0 H LEU A 6 8.709 -7.605 -4.392 1.00 71.30 H new ATOM 0 HA LEU A 6 6.611 -6.750 -2.633 1.00 5.50 H new ATOM 0 HB2 LEU A 6 8.086 -8.996 -2.878 1.00 53.50 H new ATOM 0 HB3 LEU A 6 9.051 -8.184 -1.661 1.00 53.50 H new ATOM 0 HG LEU A 6 6.600 -7.875 -0.554 1.00 44.30 H new ATOM 0 HD11 LEU A 6 5.350 -9.984 -0.808 1.00 61.30 H new ATOM 0 HD12 LEU A 6 5.456 -9.090 -2.344 1.00 61.30 H new ATOM 0 HD13 LEU A 6 6.497 -10.506 -2.066 1.00 61.30 H new ATOM 0 HD21 LEU A 6 7.157 -9.812 0.862 1.00 61.10 H new ATOM 0 HD22 LEU A 6 8.374 -10.328 -0.330 1.00 61.10 H new ATOM 0 HD23 LEU A 6 8.582 -8.793 0.547 1.00 61.10 H new ATOM 92 N GLN A 7 9.606 -5.456 -2.335 1.00 42.00 N ATOM 93 CA GLN A 7 10.375 -4.402 -1.683 1.00 23.40 C ATOM 94 C GLN A 7 9.741 -3.036 -1.925 1.00 25.20 C ATOM 95 O GLN A 7 9.737 -2.177 -1.043 1.00 12.30 O ATOM 96 CB GLN A 7 11.818 -4.407 -2.191 1.00 22.20 C ATOM 97 CG GLN A 7 12.851 -4.221 -1.091 1.00 41.20 C ATOM 98 CD GLN A 7 13.163 -2.762 -0.825 1.00 44.10 C ATOM 99 OE1 GLN A 7 13.812 -2.096 -1.632 1.00 40.20 O ATOM 100 NE2 GLN A 7 12.702 -2.256 0.313 1.00 54.00 N ATOM 0 H GLN A 7 10.088 -5.912 -3.110 1.00 42.00 H new ATOM 0 HA GLN A 7 10.375 -4.596 -0.610 1.00 23.40 H new ATOM 0 HB2 GLN A 7 12.011 -5.350 -2.703 1.00 22.20 H new ATOM 0 HB3 GLN A 7 11.938 -3.613 -2.928 1.00 22.20 H new ATOM 0 HG2 GLN A 7 12.487 -4.684 -0.174 1.00 41.20 H new ATOM 0 HG3 GLN A 7 13.769 -4.740 -1.368 1.00 41.20 H new ATOM 0 HE21 GLN A 7 12.168 -2.844 0.953 1.00 54.00 H new ATOM 0 HE22 GLN A 7 12.882 -1.280 0.547 1.00 54.00 H new ATOM 109 N LYS A 8 9.209 -2.840 -3.127 1.00 44.10 N ATOM 110 CA LYS A 8 8.574 -1.577 -3.485 1.00 63.10 C ATOM 111 C LYS A 8 7.288 -1.367 -2.692 1.00 23.40 C ATOM 112 O LYS A 8 6.906 -0.234 -2.399 1.00 24.40 O ATOM 113 CB LYS A 8 8.274 -1.540 -4.985 1.00 10.10 C ATOM 114 CG LYS A 8 9.414 -0.980 -5.820 1.00 12.10 C ATOM 115 CD LYS A 8 9.014 -0.830 -7.279 1.00 12.30 C ATOM 116 CE LYS A 8 10.223 -0.571 -8.164 1.00 24.40 C ATOM 117 NZ LYS A 8 10.610 -1.779 -8.944 1.00 11.40 N ATOM 0 H LYS A 8 9.205 -3.539 -3.869 1.00 44.10 H new ATOM 0 HA LYS A 8 9.265 -0.771 -3.239 1.00 63.10 H new ATOM 0 HB2 LYS A 8 8.047 -2.550 -5.327 1.00 10.10 H new ATOM 0 HB3 LYS A 8 7.381 -0.938 -5.154 1.00 10.10 H new ATOM 0 HG2 LYS A 8 9.715 -0.011 -5.423 1.00 12.10 H new ATOM 0 HG3 LYS A 8 10.279 -1.639 -5.745 1.00 12.10 H new ATOM 0 HD2 LYS A 8 8.505 -1.734 -7.613 1.00 12.30 H new ATOM 0 HD3 LYS A 8 8.305 -0.009 -7.380 1.00 12.30 H new ATOM 0 HE2 LYS A 8 10.003 0.248 -8.849 1.00 24.40 H new ATOM 0 HE3 LYS A 8 11.063 -0.253 -7.547 1.00 24.40 H new ATOM 0 HZ1 LYS A 8 11.438 -1.561 -9.534 1.00 11.40 H new ATOM 0 HZ2 LYS A 8 10.845 -2.553 -8.291 1.00 11.40 H new ATOM 0 HZ3 LYS A 8 9.818 -2.068 -9.552 1.00 11.40 H new ATOM 131 N ALA A 9 6.624 -2.466 -2.349 1.00 13.10 N ATOM 132 CA ALA A 9 5.380 -2.401 -1.591 1.00 33.10 C ATOM 133 C ALA A 9 5.631 -1.946 -0.158 1.00 71.20 C ATOM 134 O ALA A 9 4.806 -1.251 0.437 1.00 11.00 O ATOM 135 CB ALA A 9 4.685 -3.754 -1.603 1.00 25.20 C ATOM 0 H ALA A 9 6.926 -3.411 -2.584 1.00 13.10 H new ATOM 0 HA ALA A 9 4.731 -1.666 -2.068 1.00 33.10 H new ATOM 0 HB1 ALA A 9 3.758 -3.692 -1.034 1.00 25.20 H new ATOM 0 HB2 ALA A 9 4.461 -4.039 -2.631 1.00 25.20 H new ATOM 0 HB3 ALA A 9 5.338 -4.502 -1.153 1.00 25.20 H new ATOM 141 N ILE A 10 6.774 -2.341 0.393 1.00 3.13 N ATOM 142 CA ILE A 10 7.131 -1.973 1.758 1.00 55.10 C ATOM 143 C ILE A 10 7.521 -0.501 1.847 1.00 31.20 C ATOM 144 O ILE A 10 7.260 0.161 2.851 1.00 2.32 O ATOM 145 CB ILE A 10 8.295 -2.834 2.288 1.00 50.40 C ATOM 146 CG1 ILE A 10 8.002 -4.319 2.067 1.00 24.20 C ATOM 147 CG2 ILE A 10 8.536 -2.551 3.763 1.00 32.40 C ATOM 148 CD1 ILE A 10 9.234 -5.195 2.139 1.00 41.00 C ATOM 0 H ILE A 10 7.468 -2.916 -0.085 1.00 3.13 H new ATOM 0 HA ILE A 10 6.249 -2.151 2.373 1.00 55.10 H new ATOM 0 HB ILE A 10 9.198 -2.575 1.736 1.00 50.40 H new ATOM 0 HG12 ILE A 10 7.283 -4.654 2.815 1.00 24.20 H new ATOM 0 HG13 ILE A 10 7.531 -4.447 1.092 1.00 24.20 H new ATOM 0 HG21 ILE A 10 9.361 -3.167 4.122 1.00 32.40 H new ATOM 0 HG22 ILE A 10 8.785 -1.498 3.896 1.00 32.40 H new ATOM 0 HG23 ILE A 10 7.635 -2.785 4.330 1.00 32.40 H new ATOM 0 HD11 ILE A 10 8.951 -6.235 1.973 1.00 41.00 H new ATOM 0 HD12 ILE A 10 9.946 -4.886 1.373 1.00 41.00 H new ATOM 0 HD13 ILE A 10 9.694 -5.096 3.122 1.00 41.00 H new ATOM 160 N ASP A 11 8.149 0.005 0.790 1.00 53.20 N ATOM 161 CA ASP A 11 8.576 1.399 0.750 1.00 63.40 C ATOM 162 C ASP A 11 7.410 2.319 0.401 1.00 51.20 C ATOM 163 O ASP A 11 7.364 3.470 0.836 1.00 62.10 O ATOM 164 CB ASP A 11 9.705 1.578 -0.267 1.00 11.30 C ATOM 165 CG ASP A 11 11.077 1.425 0.359 1.00 5.23 C ATOM 166 OD1 ASP A 11 11.397 0.311 0.823 1.00 62.40 O ATOM 167 OD2 ASP A 11 11.832 2.420 0.385 1.00 32.40 O ATOM 0 H ASP A 11 8.373 -0.529 -0.049 1.00 53.20 H new ATOM 0 HA ASP A 11 8.941 1.669 1.741 1.00 63.40 H new ATOM 0 HB2 ASP A 11 9.590 0.846 -1.066 1.00 11.30 H new ATOM 0 HB3 ASP A 11 9.625 2.564 -0.724 1.00 11.30 H new ATOM 172 N LEU A 12 6.471 1.805 -0.385 1.00 23.00 N ATOM 173 CA LEU A 12 5.305 2.582 -0.792 1.00 21.40 C ATOM 174 C LEU A 12 4.409 2.887 0.405 1.00 71.50 C ATOM 175 O LEU A 12 3.820 3.965 0.493 1.00 61.50 O ATOM 176 CB LEU A 12 4.513 1.829 -1.864 1.00 51.30 C ATOM 177 CG LEU A 12 4.761 2.296 -3.300 1.00 72.00 C ATOM 178 CD1 LEU A 12 4.268 3.721 -3.490 1.00 23.40 C ATOM 179 CD2 LEU A 12 6.239 2.190 -3.646 1.00 34.40 C ATOM 0 H LEU A 12 6.494 0.854 -0.753 1.00 23.00 H new ATOM 0 HA LEU A 12 5.655 3.527 -1.208 1.00 21.40 H new ATOM 0 HB2 LEU A 12 4.756 0.769 -1.796 1.00 51.30 H new ATOM 0 HB3 LEU A 12 3.450 1.927 -1.645 1.00 51.30 H new ATOM 0 HG LEU A 12 4.202 1.648 -3.975 1.00 72.00 H new ATOM 0 HD11 LEU A 12 4.453 4.036 -4.517 1.00 23.40 H new ATOM 0 HD12 LEU A 12 3.199 3.767 -3.283 1.00 23.40 H new ATOM 0 HD13 LEU A 12 4.798 4.384 -2.806 1.00 23.40 H new ATOM 0 HD21 LEU A 12 6.398 2.526 -4.671 1.00 34.40 H new ATOM 0 HD22 LEU A 12 6.818 2.815 -2.965 1.00 34.40 H new ATOM 0 HD23 LEU A 12 6.562 1.153 -3.550 1.00 34.40 H new ATOM 191 N VAL A 13 4.308 1.931 1.323 1.00 30.10 N ATOM 192 CA VAL A 13 3.483 2.098 2.513 1.00 65.40 C ATOM 193 C VAL A 13 4.166 3.000 3.535 1.00 45.40 C ATOM 194 O VAL A 13 3.503 3.707 4.295 1.00 32.40 O ATOM 195 CB VAL A 13 3.165 0.744 3.173 1.00 72.30 C ATOM 196 CG1 VAL A 13 2.286 -0.102 2.265 1.00 32.20 C ATOM 197 CG2 VAL A 13 4.449 0.006 3.523 1.00 0.32 C ATOM 0 H VAL A 13 4.788 1.033 1.265 1.00 30.10 H new ATOM 0 HA VAL A 13 2.552 2.562 2.187 1.00 65.40 H new ATOM 0 HB VAL A 13 2.617 0.932 4.096 1.00 72.30 H new ATOM 0 HG11 VAL A 13 2.073 -1.055 2.750 1.00 32.20 H new ATOM 0 HG12 VAL A 13 1.351 0.424 2.071 1.00 32.20 H new ATOM 0 HG13 VAL A 13 2.803 -0.282 1.323 1.00 32.20 H new ATOM 0 HG21 VAL A 13 4.205 -0.949 3.989 1.00 0.32 H new ATOM 0 HG22 VAL A 13 5.026 -0.170 2.615 1.00 0.32 H new ATOM 0 HG23 VAL A 13 5.037 0.608 4.216 1.00 0.32 H new ATOM 207 N THR A 14 5.494 2.970 3.551 1.00 52.00 N ATOM 208 CA THR A 14 6.266 3.784 4.483 1.00 73.40 C ATOM 209 C THR A 14 6.206 5.259 4.098 1.00 62.20 C ATOM 210 O THR A 14 6.181 6.136 4.962 1.00 4.02 O ATOM 211 CB THR A 14 7.720 3.314 4.519 1.00 31.30 C ATOM 212 OG1 THR A 14 7.788 1.901 4.597 1.00 52.10 O ATOM 213 CG2 THR A 14 8.503 3.876 5.686 1.00 62.30 C ATOM 0 H THR A 14 6.058 2.391 2.929 1.00 52.00 H new ATOM 0 HA THR A 14 5.829 3.668 5.475 1.00 73.40 H new ATOM 0 HB THR A 14 8.165 3.681 3.594 1.00 31.30 H new ATOM 0 HG1 THR A 14 7.718 1.520 3.697 1.00 52.10 H new ATOM 0 HG21 THR A 14 9.526 3.502 5.651 1.00 62.30 H new ATOM 0 HG22 THR A 14 8.512 4.964 5.628 1.00 62.30 H new ATOM 0 HG23 THR A 14 8.035 3.566 6.621 1.00 62.30 H new ATOM 221 N LYS A 15 6.186 5.526 2.797 1.00 42.40 N ATOM 222 CA LYS A 15 6.131 6.896 2.298 1.00 72.40 C ATOM 223 C LYS A 15 4.746 7.501 2.512 1.00 25.10 C ATOM 224 O LYS A 15 4.608 8.711 2.692 1.00 41.10 O ATOM 225 CB LYS A 15 6.496 6.933 0.811 1.00 51.30 C ATOM 226 CG LYS A 15 7.733 7.764 0.510 1.00 65.00 C ATOM 227 CD LYS A 15 8.962 6.888 0.310 1.00 0.44 C ATOM 228 CE LYS A 15 10.070 7.247 1.287 1.00 73.30 C ATOM 229 NZ LYS A 15 11.076 8.160 0.676 1.00 75.50 N ATOM 0 H LYS A 15 6.207 4.812 2.069 1.00 42.40 H new ATOM 0 HA LYS A 15 6.854 7.490 2.858 1.00 72.40 H new ATOM 0 HB2 LYS A 15 6.658 5.914 0.460 1.00 51.30 H new ATOM 0 HB3 LYS A 15 5.653 7.334 0.248 1.00 51.30 H new ATOM 0 HG2 LYS A 15 7.562 8.361 -0.386 1.00 65.00 H new ATOM 0 HG3 LYS A 15 7.912 8.461 1.329 1.00 65.00 H new ATOM 0 HD2 LYS A 15 8.688 5.841 0.439 1.00 0.44 H new ATOM 0 HD3 LYS A 15 9.326 6.999 -0.711 1.00 0.44 H new ATOM 0 HE2 LYS A 15 9.637 7.721 2.168 1.00 73.30 H new ATOM 0 HE3 LYS A 15 10.565 6.336 1.625 1.00 73.30 H new ATOM 0 HZ1 LYS A 15 11.814 8.381 1.375 1.00 75.50 H new ATOM 0 HZ2 LYS A 15 11.508 7.698 -0.150 1.00 75.50 H new ATOM 0 HZ3 LYS A 15 10.609 9.040 0.376 1.00 75.50 H new ATOM 243 N ALA A 16 3.723 6.652 2.490 1.00 73.50 N ATOM 244 CA ALA A 16 2.350 7.106 2.680 1.00 72.10 C ATOM 245 C ALA A 16 2.077 7.441 4.143 1.00 75.20 C ATOM 246 O ALA A 16 1.488 8.476 4.453 1.00 43.30 O ATOM 247 CB ALA A 16 1.374 6.048 2.185 1.00 13.10 C ATOM 0 H ALA A 16 3.819 5.647 2.343 1.00 73.50 H new ATOM 0 HA ALA A 16 2.210 8.016 2.097 1.00 72.10 H new ATOM 0 HB1 ALA A 16 0.352 6.398 2.332 1.00 13.10 H new ATOM 0 HB2 ALA A 16 1.545 5.863 1.125 1.00 13.10 H new ATOM 0 HB3 ALA A 16 1.525 5.124 2.743 1.00 13.10 H new ATOM 253 N THR A 17 2.508 6.558 5.039 1.00 44.10 N ATOM 254 CA THR A 17 2.308 6.761 6.470 1.00 61.10 C ATOM 255 C THR A 17 2.957 8.061 6.934 1.00 52.40 C ATOM 256 O THR A 17 2.357 8.833 7.683 1.00 75.50 O ATOM 257 CB THR A 17 2.880 5.582 7.258 1.00 32.50 C ATOM 258 OG1 THR A 17 2.775 5.813 8.652 1.00 70.00 O ATOM 259 CG2 THR A 17 4.335 5.303 6.948 1.00 53.50 C ATOM 0 H THR A 17 2.998 5.696 4.800 1.00 44.10 H new ATOM 0 HA THR A 17 1.236 6.827 6.655 1.00 61.10 H new ATOM 0 HB THR A 17 2.289 4.718 6.954 1.00 32.50 H new ATOM 0 HG1 THR A 17 3.145 5.047 9.139 1.00 70.00 H new ATOM 0 HG21 THR A 17 4.677 4.455 7.541 1.00 53.50 H new ATOM 0 HG22 THR A 17 4.443 5.072 5.888 1.00 53.50 H new ATOM 0 HG23 THR A 17 4.934 6.181 7.191 1.00 53.50 H new ATOM 267 N GLU A 18 4.185 8.298 6.486 1.00 4.44 N ATOM 268 CA GLU A 18 4.915 9.505 6.857 1.00 1.31 C ATOM 269 C GLU A 18 4.264 10.742 6.247 1.00 65.40 C ATOM 270 O GLU A 18 4.228 11.806 6.867 1.00 0.32 O ATOM 271 CB GLU A 18 6.372 9.405 6.402 1.00 73.50 C ATOM 272 CG GLU A 18 6.532 9.293 4.895 1.00 34.40 C ATOM 273 CD GLU A 18 7.964 9.012 4.480 1.00 43.10 C ATOM 274 OE1 GLU A 18 8.367 7.831 4.502 1.00 24.40 O ATOM 275 OE2 GLU A 18 8.681 9.975 4.133 1.00 4.12 O ATOM 0 H GLU A 18 4.696 7.670 5.865 1.00 4.44 H new ATOM 0 HA GLU A 18 4.886 9.598 7.943 1.00 1.31 H new ATOM 0 HB2 GLU A 18 6.914 10.283 6.752 1.00 73.50 H new ATOM 0 HB3 GLU A 18 6.832 8.537 6.873 1.00 73.50 H new ATOM 0 HG2 GLU A 18 5.887 8.497 4.523 1.00 34.40 H new ATOM 0 HG3 GLU A 18 6.197 10.219 4.428 1.00 34.40 H new ATOM 282 N GLU A 19 3.750 10.596 5.031 1.00 10.30 N ATOM 283 CA GLU A 19 3.101 11.702 4.337 1.00 13.40 C ATOM 284 C GLU A 19 1.809 12.105 5.041 1.00 61.40 C ATOM 285 O GLU A 19 1.503 13.290 5.166 1.00 64.00 O ATOM 286 CB GLU A 19 2.805 11.317 2.886 1.00 71.10 C ATOM 287 CG GLU A 19 3.950 11.615 1.932 1.00 41.50 C ATOM 288 CD GLU A 19 4.029 13.082 1.557 1.00 21.40 C ATOM 289 OE1 GLU A 19 4.463 13.889 2.405 1.00 11.20 O ATOM 290 OE2 GLU A 19 3.655 13.424 0.415 1.00 14.30 O ATOM 0 H GLU A 19 3.770 9.722 4.505 1.00 10.30 H new ATOM 0 HA GLU A 19 3.781 12.554 4.349 1.00 13.40 H new ATOM 0 HB2 GLU A 19 2.573 10.253 2.841 1.00 71.10 H new ATOM 0 HB3 GLU A 19 1.916 11.851 2.551 1.00 71.10 H new ATOM 0 HG2 GLU A 19 4.890 11.310 2.392 1.00 41.50 H new ATOM 0 HG3 GLU A 19 3.829 11.019 1.028 1.00 41.50 H new ATOM 297 N ASP A 20 1.054 11.110 5.499 1.00 44.30 N ATOM 298 CA ASP A 20 -0.207 11.361 6.190 1.00 12.10 C ATOM 299 C ASP A 20 -0.007 12.319 7.361 1.00 43.50 C ATOM 300 O ASP A 20 -0.847 13.180 7.622 1.00 52.10 O ATOM 301 CB ASP A 20 -0.808 10.045 6.689 1.00 31.20 C ATOM 302 CG ASP A 20 -2.293 9.941 6.400 1.00 70.20 C ATOM 303 OD1 ASP A 20 -3.086 10.567 7.134 1.00 42.40 O ATOM 304 OD2 ASP A 20 -2.662 9.233 5.439 1.00 65.10 O ATOM 0 H ASP A 20 1.293 10.123 5.404 1.00 44.30 H new ATOM 0 HA ASP A 20 -0.895 11.823 5.482 1.00 12.10 H new ATOM 0 HB2 ASP A 20 -0.290 9.210 6.217 1.00 31.20 H new ATOM 0 HB3 ASP A 20 -0.643 9.957 7.763 1.00 31.20 H new ATOM 309 N LYS A 21 1.112 12.164 8.061 1.00 24.50 N ATOM 310 CA LYS A 21 1.423 13.017 9.203 1.00 13.10 C ATOM 311 C LYS A 21 1.870 14.405 8.748 1.00 23.10 C ATOM 312 O LYS A 21 1.830 15.362 9.521 1.00 53.30 O ATOM 313 CB LYS A 21 2.513 12.374 10.063 1.00 2.34 C ATOM 314 CG LYS A 21 1.984 11.326 11.030 1.00 51.30 C ATOM 315 CD LYS A 21 2.884 10.101 11.072 1.00 2.02 C ATOM 316 CE LYS A 21 2.489 9.158 12.197 1.00 75.10 C ATOM 317 NZ LYS A 21 3.361 9.324 13.392 1.00 50.40 N ATOM 0 H LYS A 21 1.818 11.456 7.858 1.00 24.50 H new ATOM 0 HA LYS A 21 0.516 13.127 9.797 1.00 13.10 H new ATOM 0 HB2 LYS A 21 3.255 11.913 9.411 1.00 2.34 H new ATOM 0 HB3 LYS A 21 3.025 13.153 10.628 1.00 2.34 H new ATOM 0 HG2 LYS A 21 1.907 11.757 12.028 1.00 51.30 H new ATOM 0 HG3 LYS A 21 0.978 11.030 10.732 1.00 51.30 H new ATOM 0 HD2 LYS A 21 2.829 9.575 10.119 1.00 2.02 H new ATOM 0 HD3 LYS A 21 3.920 10.414 11.205 1.00 2.02 H new ATOM 0 HE2 LYS A 21 1.451 9.341 12.476 1.00 75.10 H new ATOM 0 HE3 LYS A 21 2.548 8.128 11.845 1.00 75.10 H new ATOM 0 HZ1 LYS A 21 3.059 8.663 14.136 1.00 50.40 H new ATOM 0 HZ2 LYS A 21 4.348 9.125 13.132 1.00 50.40 H new ATOM 0 HZ3 LYS A 21 3.286 10.300 13.744 1.00 50.40 H new ATOM 331 N ALA A 22 2.300 14.509 7.492 1.00 65.10 N ATOM 332 CA ALA A 22 2.755 15.781 6.945 1.00 51.40 C ATOM 333 C ALA A 22 1.638 16.492 6.185 1.00 50.10 C ATOM 334 O ALA A 22 1.898 17.270 5.267 1.00 64.20 O ATOM 335 CB ALA A 22 3.955 15.563 6.036 1.00 45.20 C ATOM 0 H ALA A 22 2.342 13.728 6.837 1.00 65.10 H new ATOM 0 HA ALA A 22 3.050 16.418 7.779 1.00 51.40 H new ATOM 0 HB1 ALA A 22 4.285 16.521 5.634 1.00 45.20 H new ATOM 0 HB2 ALA A 22 4.766 15.110 6.606 1.00 45.20 H new ATOM 0 HB3 ALA A 22 3.675 14.902 5.216 1.00 45.20 H new ATOM 341 N LYS A 23 0.395 16.224 6.573 1.00 43.30 N ATOM 342 CA LYS A 23 -0.758 16.843 5.928 1.00 25.20 C ATOM 343 C LYS A 23 -0.771 16.551 4.431 1.00 63.10 C ATOM 344 O LYS A 23 -1.247 17.361 3.635 1.00 33.10 O ATOM 345 CB LYS A 23 -0.750 18.355 6.165 1.00 4.42 C ATOM 346 CG LYS A 23 -2.118 19.001 6.019 1.00 63.20 C ATOM 347 CD LYS A 23 -2.365 20.037 7.103 1.00 42.30 C ATOM 348 CE LYS A 23 -3.782 20.583 7.040 1.00 22.10 C ATOM 349 NZ LYS A 23 -3.850 22.003 7.482 1.00 64.10 N ATOM 0 H LYS A 23 0.160 15.583 7.331 1.00 43.30 H new ATOM 0 HA LYS A 23 -1.659 16.417 6.368 1.00 25.20 H new ATOM 0 HB2 LYS A 23 -0.368 18.555 7.166 1.00 4.42 H new ATOM 0 HB3 LYS A 23 -0.060 18.821 5.461 1.00 4.42 H new ATOM 0 HG2 LYS A 23 -2.196 19.473 5.039 1.00 63.20 H new ATOM 0 HG3 LYS A 23 -2.891 18.233 6.065 1.00 63.20 H new ATOM 0 HD2 LYS A 23 -2.189 19.590 8.082 1.00 42.30 H new ATOM 0 HD3 LYS A 23 -1.653 20.856 6.994 1.00 42.30 H new ATOM 0 HE2 LYS A 23 -4.157 20.502 6.020 1.00 22.10 H new ATOM 0 HE3 LYS A 23 -4.433 19.976 7.668 1.00 22.10 H new ATOM 0 HZ1 LYS A 23 -4.833 22.338 7.424 1.00 64.10 H new ATOM 0 HZ2 LYS A 23 -3.516 22.077 8.464 1.00 64.10 H new ATOM 0 HZ3 LYS A 23 -3.249 22.587 6.867 1.00 64.10 H new ATOM 363 N ASN A 24 -0.246 15.390 4.054 1.00 42.30 N ATOM 364 CA ASN A 24 -0.198 14.991 2.651 1.00 1.52 C ATOM 365 C ASN A 24 -1.181 13.857 2.376 1.00 74.10 C ATOM 366 O ASN A 24 -0.841 12.870 1.723 1.00 74.00 O ATOM 367 CB ASN A 24 1.221 14.565 2.268 1.00 73.30 C ATOM 368 CG ASN A 24 2.039 15.714 1.713 1.00 75.20 C ATOM 369 OD1 ASN A 24 1.863 16.119 0.564 1.00 63.00 O ATOM 370 ND2 ASN A 24 2.941 16.247 2.530 1.00 71.20 N ATOM 0 H ASN A 24 0.152 14.708 4.700 1.00 42.30 H new ATOM 0 HA ASN A 24 -0.485 15.849 2.043 1.00 1.52 H new ATOM 0 HB2 ASN A 24 1.723 14.155 3.144 1.00 73.30 H new ATOM 0 HB3 ASN A 24 1.170 13.767 1.527 1.00 73.30 H new ATOM 0 HD21 ASN A 24 3.521 17.023 2.212 1.00 71.20 H new ATOM 0 HD22 ASN A 24 3.053 15.880 3.475 1.00 71.20 H new ATOM 377 N TYR A 25 -2.403 14.005 2.880 1.00 64.40 N ATOM 378 CA TYR A 25 -3.440 12.994 2.691 1.00 42.20 C ATOM 379 C TYR A 25 -3.594 12.634 1.216 1.00 13.20 C ATOM 380 O TYR A 25 -3.874 11.484 0.874 1.00 14.10 O ATOM 381 CB TYR A 25 -4.774 13.496 3.246 1.00 52.50 C ATOM 382 CG TYR A 25 -4.761 13.728 4.740 1.00 60.00 C ATOM 383 CD1 TYR A 25 -4.292 14.922 5.272 1.00 64.40 C ATOM 384 CD2 TYR A 25 -5.218 12.753 5.618 1.00 22.10 C ATOM 385 CE1 TYR A 25 -4.278 15.138 6.637 1.00 53.40 C ATOM 386 CE2 TYR A 25 -5.207 12.961 6.984 1.00 22.10 C ATOM 387 CZ TYR A 25 -4.736 14.155 7.488 1.00 22.30 C ATOM 388 OH TYR A 25 -4.724 14.366 8.848 1.00 14.10 O ATOM 0 H TYR A 25 -2.700 14.816 3.423 1.00 64.40 H new ATOM 0 HA TYR A 25 -3.139 12.097 3.233 1.00 42.20 H new ATOM 0 HB2 TYR A 25 -5.039 14.427 2.745 1.00 52.50 H new ATOM 0 HB3 TYR A 25 -5.553 12.772 3.006 1.00 52.50 H new ATOM 0 HD1 TYR A 25 -3.932 15.694 4.608 1.00 64.40 H new ATOM 0 HD2 TYR A 25 -5.588 11.817 5.226 1.00 22.10 H new ATOM 0 HE1 TYR A 25 -3.910 16.072 7.035 1.00 53.40 H new ATOM 0 HE2 TYR A 25 -5.565 12.193 7.653 1.00 22.10 H new ATOM 0 HH TYR A 25 -5.081 13.576 9.305 1.00 14.10 H new ATOM 398 N GLU A 26 -3.410 13.622 0.347 1.00 52.10 N ATOM 399 CA GLU A 26 -3.529 13.408 -1.090 1.00 24.10 C ATOM 400 C GLU A 26 -2.452 12.449 -1.588 1.00 4.34 C ATOM 401 O GLU A 26 -2.739 11.503 -2.322 1.00 31.20 O ATOM 402 CB GLU A 26 -3.427 14.740 -1.836 1.00 14.40 C ATOM 403 CG GLU A 26 -4.752 15.476 -1.951 1.00 14.10 C ATOM 404 CD GLU A 26 -5.350 15.386 -3.341 1.00 30.40 C ATOM 405 OE1 GLU A 26 -6.057 14.395 -3.620 1.00 70.10 O ATOM 406 OE2 GLU A 26 -5.111 16.307 -4.151 1.00 61.30 O ATOM 0 H GLU A 26 -3.178 14.579 0.613 1.00 52.10 H new ATOM 0 HA GLU A 26 -4.505 12.964 -1.286 1.00 24.10 H new ATOM 0 HB2 GLU A 26 -2.709 15.380 -1.323 1.00 14.40 H new ATOM 0 HB3 GLU A 26 -3.034 14.558 -2.836 1.00 14.40 H new ATOM 0 HG2 GLU A 26 -5.457 15.063 -1.229 1.00 14.10 H new ATOM 0 HG3 GLU A 26 -4.605 16.524 -1.690 1.00 14.10 H new ATOM 413 N GLU A 27 -1.211 12.701 -1.185 1.00 35.30 N ATOM 414 CA GLU A 27 -0.091 11.860 -1.590 1.00 71.30 C ATOM 415 C GLU A 27 -0.221 10.459 -1.002 1.00 4.15 C ATOM 416 O GLU A 27 0.066 9.466 -1.670 1.00 54.40 O ATOM 417 CB GLU A 27 1.232 12.490 -1.149 1.00 0.13 C ATOM 418 CG GLU A 27 2.385 12.209 -2.099 1.00 0.12 C ATOM 419 CD GLU A 27 2.764 13.420 -2.930 1.00 45.40 C ATOM 420 OE1 GLU A 27 2.159 13.614 -4.006 1.00 60.30 O ATOM 421 OE2 GLU A 27 3.665 14.173 -2.506 1.00 42.50 O ATOM 0 H GLU A 27 -0.956 13.480 -0.579 1.00 35.30 H new ATOM 0 HA GLU A 27 -0.104 11.780 -2.677 1.00 71.30 H new ATOM 0 HB2 GLU A 27 1.100 13.568 -1.060 1.00 0.13 H new ATOM 0 HB3 GLU A 27 1.490 12.118 -0.158 1.00 0.13 H new ATOM 0 HG2 GLU A 27 3.252 11.881 -1.525 1.00 0.12 H new ATOM 0 HG3 GLU A 27 2.113 11.388 -2.763 1.00 0.12 H new ATOM 428 N ALA A 28 -0.654 10.387 0.253 1.00 71.10 N ATOM 429 CA ALA A 28 -0.822 9.107 0.930 1.00 3.23 C ATOM 430 C ALA A 28 -1.807 8.214 0.183 1.00 23.50 C ATOM 431 O ALA A 28 -1.680 6.990 0.190 1.00 32.00 O ATOM 432 CB ALA A 28 -1.287 9.325 2.362 1.00 15.00 C ATOM 0 H ALA A 28 -0.895 11.200 0.821 1.00 71.10 H new ATOM 0 HA ALA A 28 0.145 8.603 0.945 1.00 3.23 H new ATOM 0 HB1 ALA A 28 -1.408 8.361 2.856 1.00 15.00 H new ATOM 0 HB2 ALA A 28 -0.546 9.917 2.899 1.00 15.00 H new ATOM 0 HB3 ALA A 28 -2.240 9.853 2.359 1.00 15.00 H new ATOM 438 N LEU A 29 -2.790 8.836 -0.461 1.00 44.10 N ATOM 439 CA LEU A 29 -3.797 8.097 -1.213 1.00 3.12 C ATOM 440 C LEU A 29 -3.168 7.366 -2.394 1.00 61.40 C ATOM 441 O LEU A 29 -3.518 6.223 -2.687 1.00 44.20 O ATOM 442 CB LEU A 29 -4.892 9.044 -1.708 1.00 50.20 C ATOM 443 CG LEU A 29 -6.143 8.357 -2.258 1.00 53.40 C ATOM 444 CD1 LEU A 29 -7.131 8.072 -1.138 1.00 24.30 C ATOM 445 CD2 LEU A 29 -6.789 9.213 -3.337 1.00 23.10 C ATOM 0 H LEU A 29 -2.910 9.849 -0.477 1.00 44.10 H new ATOM 0 HA LEU A 29 -4.241 7.357 -0.547 1.00 3.12 H new ATOM 0 HB2 LEU A 29 -5.186 9.696 -0.886 1.00 50.20 H new ATOM 0 HB3 LEU A 29 -4.474 9.682 -2.487 1.00 50.20 H new ATOM 0 HG LEU A 29 -5.847 7.407 -2.704 1.00 53.40 H new ATOM 0 HD11 LEU A 29 -8.015 7.583 -1.548 1.00 24.30 H new ATOM 0 HD12 LEU A 29 -6.665 7.420 -0.399 1.00 24.30 H new ATOM 0 HD13 LEU A 29 -7.422 9.009 -0.663 1.00 24.30 H new ATOM 0 HD21 LEU A 29 -7.678 8.709 -3.717 1.00 23.10 H new ATOM 0 HD22 LEU A 29 -7.071 10.178 -2.916 1.00 23.10 H new ATOM 0 HD23 LEU A 29 -6.082 9.366 -4.152 1.00 23.10 H new ATOM 457 N ARG A 30 -2.238 8.034 -3.070 1.00 40.10 N ATOM 458 CA ARG A 30 -1.562 7.447 -4.221 1.00 10.20 C ATOM 459 C ARG A 30 -0.473 6.474 -3.779 1.00 61.20 C ATOM 460 O ARG A 30 -0.202 5.481 -4.454 1.00 44.50 O ATOM 461 CB ARG A 30 -0.954 8.545 -5.097 1.00 74.20 C ATOM 462 CG ARG A 30 -1.990 9.411 -5.795 1.00 70.20 C ATOM 463 CD ARG A 30 -2.708 8.644 -6.894 1.00 53.10 C ATOM 464 NE ARG A 30 -3.022 9.495 -8.040 1.00 31.40 N ATOM 465 CZ ARG A 30 -2.136 9.841 -8.971 1.00 1.12 C ATOM 466 NH1 ARG A 30 -0.882 9.411 -8.897 1.00 4.41 N ATOM 467 NH2 ARG A 30 -2.504 10.619 -9.979 1.00 11.50 N ATOM 0 H ARG A 30 -1.936 8.981 -2.841 1.00 40.10 H new ATOM 0 HA ARG A 30 -2.302 6.896 -4.800 1.00 10.20 H new ATOM 0 HB2 ARG A 30 -0.318 9.180 -4.480 1.00 74.20 H new ATOM 0 HB3 ARG A 30 -0.312 8.085 -5.848 1.00 74.20 H new ATOM 0 HG2 ARG A 30 -2.717 9.770 -5.066 1.00 70.20 H new ATOM 0 HG3 ARG A 30 -1.505 10.289 -6.220 1.00 70.20 H new ATOM 0 HD2 ARG A 30 -2.086 7.811 -7.221 1.00 53.10 H new ATOM 0 HD3 ARG A 30 -3.629 8.217 -6.496 1.00 53.10 H new ATOM 0 HE ARG A 30 -3.976 9.844 -8.132 1.00 31.40 H new ATOM 0 HH11 ARG A 30 -0.593 8.812 -8.124 1.00 4.41 H new ATOM 0 HH12 ARG A 30 -0.208 9.680 -9.614 1.00 4.41 H new ATOM 0 HH21 ARG A 30 -3.466 10.952 -10.041 1.00 11.50 H new ATOM 0 HH22 ARG A 30 -1.825 10.884 -10.693 1.00 11.50 H new ATOM 481 N LEU A 31 0.150 6.766 -2.642 1.00 62.20 N ATOM 482 CA LEU A 31 1.211 5.917 -2.111 1.00 74.30 C ATOM 483 C LEU A 31 0.646 4.599 -1.590 1.00 75.40 C ATOM 484 O LEU A 31 1.142 3.524 -1.927 1.00 74.20 O ATOM 485 CB LEU A 31 1.963 6.644 -0.993 1.00 63.10 C ATOM 486 CG LEU A 31 3.233 7.374 -1.434 1.00 15.40 C ATOM 487 CD1 LEU A 31 4.314 6.378 -1.823 1.00 72.50 C ATOM 488 CD2 LEU A 31 2.933 8.317 -2.590 1.00 75.10 C ATOM 0 H LEU A 31 -0.061 7.584 -2.070 1.00 62.20 H new ATOM 0 HA LEU A 31 1.905 5.696 -2.922 1.00 74.30 H new ATOM 0 HB2 LEU A 31 1.289 7.366 -0.532 1.00 63.10 H new ATOM 0 HB3 LEU A 31 2.228 5.919 -0.223 1.00 63.10 H new ATOM 0 HG LEU A 31 3.598 7.966 -0.595 1.00 15.40 H new ATOM 0 HD11 LEU A 31 5.210 6.916 -2.134 1.00 72.50 H new ATOM 0 HD12 LEU A 31 4.550 5.744 -0.968 1.00 72.50 H new ATOM 0 HD13 LEU A 31 3.959 5.759 -2.647 1.00 72.50 H new ATOM 0 HD21 LEU A 31 3.848 8.827 -2.890 1.00 75.10 H new ATOM 0 HD22 LEU A 31 2.543 7.747 -3.433 1.00 75.10 H new ATOM 0 HD23 LEU A 31 2.193 9.053 -2.276 1.00 75.10 H new ATOM 500 N TYR A 32 -0.393 4.689 -0.766 1.00 63.00 N ATOM 501 CA TYR A 32 -1.024 3.504 -0.197 1.00 3.25 C ATOM 502 C TYR A 32 -1.671 2.653 -1.287 1.00 21.30 C ATOM 503 O TYR A 32 -1.609 1.425 -1.247 1.00 64.40 O ATOM 504 CB TYR A 32 -2.072 3.908 0.842 1.00 72.30 C ATOM 505 CG TYR A 32 -1.553 3.899 2.262 1.00 52.10 C ATOM 506 CD1 TYR A 32 -0.932 2.773 2.788 1.00 72.50 C ATOM 507 CD2 TYR A 32 -1.686 5.017 3.077 1.00 34.20 C ATOM 508 CE1 TYR A 32 -0.458 2.761 4.086 1.00 53.40 C ATOM 509 CE2 TYR A 32 -1.213 5.012 4.376 1.00 42.00 C ATOM 510 CZ TYR A 32 -0.601 3.883 4.875 1.00 15.10 C ATOM 511 OH TYR A 32 -0.129 3.875 6.168 1.00 72.10 O ATOM 0 H TYR A 32 -0.816 5.571 -0.477 1.00 63.00 H new ATOM 0 HA TYR A 32 -0.250 2.910 0.289 1.00 3.25 H new ATOM 0 HB2 TYR A 32 -2.440 4.906 0.605 1.00 72.30 H new ATOM 0 HB3 TYR A 32 -2.922 3.230 0.771 1.00 72.30 H new ATOM 0 HD1 TYR A 32 -0.818 1.893 2.173 1.00 72.50 H new ATOM 0 HD2 TYR A 32 -2.166 5.903 2.689 1.00 34.20 H new ATOM 0 HE1 TYR A 32 0.022 1.878 4.480 1.00 53.40 H new ATOM 0 HE2 TYR A 32 -1.323 5.889 4.997 1.00 42.00 H new ATOM 0 HH TYR A 32 -0.308 4.743 6.587 1.00 72.10 H new ATOM 521 N GLN A 33 -2.293 3.316 -2.256 1.00 74.50 N ATOM 522 CA GLN A 33 -2.954 2.620 -3.355 1.00 35.50 C ATOM 523 C GLN A 33 -1.940 1.883 -4.225 1.00 3.14 C ATOM 524 O GLN A 33 -2.186 0.761 -4.667 1.00 13.20 O ATOM 525 CB GLN A 33 -3.749 3.611 -4.207 1.00 73.50 C ATOM 526 CG GLN A 33 -5.120 3.939 -3.638 1.00 50.30 C ATOM 527 CD GLN A 33 -6.251 3.385 -4.484 1.00 13.40 C ATOM 528 OE1 GLN A 33 -6.114 2.338 -5.115 1.00 54.10 O ATOM 529 NE2 GLN A 33 -7.377 4.090 -4.500 1.00 24.40 N ATOM 0 H GLN A 33 -2.354 4.333 -2.303 1.00 74.50 H new ATOM 0 HA GLN A 33 -3.637 1.886 -2.928 1.00 35.50 H new ATOM 0 HB2 GLN A 33 -3.176 4.533 -4.307 1.00 73.50 H new ATOM 0 HB3 GLN A 33 -3.870 3.201 -5.210 1.00 73.50 H new ATOM 0 HG2 GLN A 33 -5.196 3.536 -2.628 1.00 50.30 H new ATOM 0 HG3 GLN A 33 -5.227 5.021 -3.559 1.00 50.30 H new ATOM 0 HE21 GLN A 33 -7.446 4.953 -3.961 1.00 24.40 H new ATOM 0 HE22 GLN A 33 -8.173 3.768 -5.051 1.00 24.40 H new ATOM 538 N HIS A 34 -0.800 2.522 -4.468 1.00 40.30 N ATOM 539 CA HIS A 34 0.250 1.927 -5.287 1.00 10.50 C ATOM 540 C HIS A 34 0.828 0.683 -4.617 1.00 64.20 C ATOM 541 O HIS A 34 1.068 -0.331 -5.272 1.00 23.40 O ATOM 542 CB HIS A 34 1.363 2.946 -5.544 1.00 61.30 C ATOM 543 CG HIS A 34 1.249 3.635 -6.868 1.00 42.00 C ATOM 544 ND1 HIS A 34 2.023 3.301 -7.960 1.00 70.10 N ATOM 545 CD2 HIS A 34 0.444 4.646 -7.276 1.00 24.30 C ATOM 546 CE1 HIS A 34 1.701 4.076 -8.980 1.00 4.23 C ATOM 547 NE2 HIS A 34 0.745 4.899 -8.592 1.00 21.20 N ATOM 0 H HIS A 34 -0.580 3.451 -4.110 1.00 40.30 H new ATOM 0 HA HIS A 34 -0.191 1.631 -6.239 1.00 10.50 H new ATOM 0 HB2 HIS A 34 1.349 3.694 -4.752 1.00 61.30 H new ATOM 0 HB3 HIS A 34 2.327 2.441 -5.488 1.00 61.30 H new ATOM 0 HD2 HIS A 34 -0.296 5.157 -6.678 1.00 24.30 H new ATOM 0 HE1 HIS A 34 2.145 4.042 -9.964 1.00 4.23 H new ATOM 0 HE2 HIS A 34 0.301 5.608 -9.175 1.00 21.20 H new ATOM 556 N ALA A 35 1.049 0.769 -3.310 1.00 45.30 N ATOM 557 CA ALA A 35 1.600 -0.348 -2.552 1.00 65.10 C ATOM 558 C ALA A 35 0.711 -1.583 -2.664 1.00 64.10 C ATOM 559 O ALA A 35 1.203 -2.703 -2.802 1.00 53.20 O ATOM 560 CB ALA A 35 1.782 0.043 -1.093 1.00 73.20 C ATOM 0 H ALA A 35 0.855 1.601 -2.753 1.00 45.30 H new ATOM 0 HA ALA A 35 2.573 -0.595 -2.975 1.00 65.10 H new ATOM 0 HB1 ALA A 35 2.194 -0.800 -0.539 1.00 73.20 H new ATOM 0 HB2 ALA A 35 2.465 0.890 -1.026 1.00 73.20 H new ATOM 0 HB3 ALA A 35 0.817 0.320 -0.668 1.00 73.20 H new ATOM 566 N VAL A 36 -0.599 -1.371 -2.601 1.00 74.40 N ATOM 567 CA VAL A 36 -1.556 -2.468 -2.694 1.00 4.34 C ATOM 568 C VAL A 36 -1.479 -3.155 -4.054 1.00 42.10 C ATOM 569 O VAL A 36 -1.726 -4.355 -4.169 1.00 62.30 O ATOM 570 CB VAL A 36 -2.998 -1.977 -2.461 1.00 33.20 C ATOM 571 CG1 VAL A 36 -3.961 -3.153 -2.393 1.00 22.20 C ATOM 572 CG2 VAL A 36 -3.081 -1.139 -1.193 1.00 11.10 C ATOM 0 H VAL A 36 -1.023 -0.450 -2.486 1.00 74.40 H new ATOM 0 HA VAL A 36 -1.292 -3.183 -1.915 1.00 4.34 H new ATOM 0 HB VAL A 36 -3.286 -1.349 -3.304 1.00 33.20 H new ATOM 0 HG11 VAL A 36 -4.974 -2.785 -2.228 1.00 22.20 H new ATOM 0 HG12 VAL A 36 -3.925 -3.708 -3.331 1.00 22.20 H new ATOM 0 HG13 VAL A 36 -3.675 -3.810 -1.572 1.00 22.20 H new ATOM 0 HG21 VAL A 36 -4.107 -0.802 -1.046 1.00 11.10 H new ATOM 0 HG22 VAL A 36 -2.771 -1.740 -0.338 1.00 11.10 H new ATOM 0 HG23 VAL A 36 -2.424 -0.274 -1.285 1.00 11.10 H new ATOM 582 N GLU A 37 -1.135 -2.385 -5.081 1.00 53.40 N ATOM 583 CA GLU A 37 -1.027 -2.920 -6.434 1.00 43.20 C ATOM 584 C GLU A 37 0.177 -3.848 -6.562 1.00 25.50 C ATOM 585 O GLU A 37 0.114 -4.871 -7.243 1.00 4.03 O ATOM 586 CB GLU A 37 -0.915 -1.779 -7.447 1.00 5.31 C ATOM 587 CG GLU A 37 -2.051 -0.772 -7.359 1.00 55.10 C ATOM 588 CD GLU A 37 -2.921 -0.762 -8.601 1.00 4.23 C ATOM 589 OE1 GLU A 37 -3.881 -1.558 -8.660 1.00 40.20 O ATOM 590 OE2 GLU A 37 -2.642 0.043 -9.514 1.00 10.20 O ATOM 0 H GLU A 37 -0.926 -1.390 -5.003 1.00 53.40 H new ATOM 0 HA GLU A 37 -1.929 -3.497 -6.641 1.00 43.20 H new ATOM 0 HB2 GLU A 37 0.031 -1.260 -7.294 1.00 5.31 H new ATOM 0 HB3 GLU A 37 -0.890 -2.199 -8.453 1.00 5.31 H new ATOM 0 HG2 GLU A 37 -2.668 -1.001 -6.490 1.00 55.10 H new ATOM 0 HG3 GLU A 37 -1.637 0.224 -7.202 1.00 55.10 H new ATOM 597 N TYR A 38 1.273 -3.482 -5.906 1.00 21.20 N ATOM 598 CA TYR A 38 2.493 -4.281 -5.950 1.00 13.10 C ATOM 599 C TYR A 38 2.343 -5.555 -5.124 1.00 70.30 C ATOM 600 O TYR A 38 2.923 -6.591 -5.452 1.00 41.40 O ATOM 601 CB TYR A 38 3.680 -3.465 -5.435 1.00 72.20 C ATOM 602 CG TYR A 38 4.254 -2.517 -6.463 1.00 64.20 C ATOM 603 CD1 TYR A 38 5.145 -2.967 -7.429 1.00 23.40 C ATOM 604 CD2 TYR A 38 3.905 -1.172 -6.468 1.00 41.20 C ATOM 605 CE1 TYR A 38 5.673 -2.104 -8.371 1.00 71.00 C ATOM 606 CE2 TYR A 38 4.427 -0.303 -7.407 1.00 41.40 C ATOM 607 CZ TYR A 38 5.310 -0.773 -8.355 1.00 64.20 C ATOM 608 OH TYR A 38 5.833 0.089 -9.291 1.00 34.30 O ATOM 0 H TYR A 38 1.342 -2.638 -5.338 1.00 21.20 H new ATOM 0 HA TYR A 38 2.674 -4.562 -6.987 1.00 13.10 H new ATOM 0 HB2 TYR A 38 3.366 -2.894 -4.562 1.00 72.20 H new ATOM 0 HB3 TYR A 38 4.463 -4.147 -5.105 1.00 72.20 H new ATOM 0 HD1 TYR A 38 5.430 -4.009 -7.444 1.00 23.40 H new ATOM 0 HD2 TYR A 38 3.214 -0.800 -5.726 1.00 41.20 H new ATOM 0 HE1 TYR A 38 6.365 -2.469 -9.115 1.00 71.00 H new ATOM 0 HE2 TYR A 38 4.144 0.739 -7.398 1.00 41.40 H new ATOM 0 HH TYR A 38 5.476 0.989 -9.142 1.00 34.30 H new ATOM 618 N PHE A 39 1.564 -5.472 -4.051 1.00 42.10 N ATOM 619 CA PHE A 39 1.341 -6.618 -3.177 1.00 70.00 C ATOM 620 C PHE A 39 0.568 -7.716 -3.900 1.00 14.40 C ATOM 621 O PHE A 39 1.003 -8.867 -3.946 1.00 65.20 O ATOM 622 CB PHE A 39 0.582 -6.187 -1.920 1.00 53.50 C ATOM 623 CG PHE A 39 1.470 -5.631 -0.843 1.00 63.30 C ATOM 624 CD1 PHE A 39 2.479 -6.405 -0.292 1.00 10.30 C ATOM 625 CD2 PHE A 39 1.296 -4.336 -0.383 1.00 44.10 C ATOM 626 CE1 PHE A 39 3.298 -5.896 0.698 1.00 53.40 C ATOM 627 CE2 PHE A 39 2.112 -3.822 0.607 1.00 13.50 C ATOM 628 CZ PHE A 39 3.114 -4.603 1.148 1.00 70.00 C ATOM 0 H PHE A 39 1.076 -4.623 -3.765 1.00 42.10 H new ATOM 0 HA PHE A 39 2.314 -7.016 -2.889 1.00 70.00 H new ATOM 0 HB2 PHE A 39 -0.159 -5.435 -2.193 1.00 53.50 H new ATOM 0 HB3 PHE A 39 0.036 -7.043 -1.524 1.00 53.50 H new ATOM 0 HD1 PHE A 39 2.627 -7.417 -0.640 1.00 10.30 H new ATOM 0 HD2 PHE A 39 0.514 -3.721 -0.803 1.00 44.10 H new ATOM 0 HE1 PHE A 39 4.081 -6.509 1.119 1.00 53.40 H new ATOM 0 HE2 PHE A 39 1.966 -2.811 0.957 1.00 13.50 H new ATOM 0 HZ PHE A 39 3.753 -4.204 1.922 1.00 70.00 H new ATOM 638 N LEU A 40 -0.582 -7.355 -4.460 1.00 25.40 N ATOM 639 CA LEU A 40 -1.418 -8.311 -5.178 1.00 63.40 C ATOM 640 C LEU A 40 -0.656 -8.942 -6.339 1.00 52.20 C ATOM 641 O LEU A 40 -0.694 -10.150 -6.532 1.00 14.10 O ATOM 642 CB LEU A 40 -2.683 -7.625 -5.696 1.00 11.10 C ATOM 643 CG LEU A 40 -3.852 -7.594 -4.711 1.00 24.40 C ATOM 644 CD1 LEU A 40 -3.789 -6.344 -3.846 1.00 53.50 C ATOM 645 CD2 LEU A 40 -5.177 -7.663 -5.455 1.00 23.00 C ATOM 0 H LEU A 40 -0.957 -6.407 -4.430 1.00 25.40 H new ATOM 0 HA LEU A 40 -1.699 -9.101 -4.482 1.00 63.40 H new ATOM 0 HB2 LEU A 40 -2.435 -6.601 -5.974 1.00 11.10 H new ATOM 0 HB3 LEU A 40 -3.007 -8.132 -6.605 1.00 11.10 H new ATOM 0 HG LEU A 40 -3.777 -8.465 -4.060 1.00 24.40 H new ATOM 0 HD11 LEU A 40 -4.629 -6.340 -3.151 1.00 53.50 H new ATOM 0 HD12 LEU A 40 -2.854 -6.336 -3.285 1.00 53.50 H new ATOM 0 HD13 LEU A 40 -3.839 -5.459 -4.481 1.00 53.50 H new ATOM 0 HD21 LEU A 40 -5.998 -7.640 -4.739 1.00 23.00 H new ATOM 0 HD22 LEU A 40 -5.260 -6.811 -6.130 1.00 23.00 H new ATOM 0 HD23 LEU A 40 -5.223 -8.588 -6.030 1.00 23.00 H new ATOM 657 N HIS A 41 0.033 -8.109 -7.112 1.00 62.40 N ATOM 658 CA HIS A 41 0.802 -8.586 -8.256 1.00 1.24 C ATOM 659 C HIS A 41 1.874 -9.580 -7.820 1.00 43.30 C ATOM 660 O HIS A 41 2.190 -10.520 -8.543 1.00 1.44 O ATOM 661 CB HIS A 41 1.450 -7.410 -8.988 1.00 61.20 C ATOM 662 CG HIS A 41 1.880 -7.737 -10.380 1.00 1.43 C ATOM 663 ND1 HIS A 41 1.481 -7.009 -11.480 1.00 35.00 N ATOM 664 CD2 HIS A 41 2.681 -8.722 -10.850 1.00 3.40 C ATOM 665 CE1 HIS A 41 2.017 -7.532 -12.570 1.00 72.30 C ATOM 666 NE2 HIS A 41 2.750 -8.571 -12.220 1.00 31.00 N ATOM 0 H HIS A 41 0.075 -7.100 -6.967 1.00 62.40 H new ATOM 0 HA HIS A 41 0.116 -9.095 -8.933 1.00 1.24 H new ATOM 0 HB2 HIS A 41 0.745 -6.580 -9.020 1.00 61.20 H new ATOM 0 HB3 HIS A 41 2.316 -7.071 -8.419 1.00 61.20 H new ATOM 0 HD2 HIS A 41 3.174 -9.483 -10.263 1.00 3.40 H new ATOM 0 HE1 HIS A 41 1.878 -7.169 -13.578 1.00 72.30 H new ATOM 0 HE2 HIS A 41 3.281 -9.165 -12.857 1.00 31.00 H new ATOM 675 N ALA A 42 2.432 -9.359 -6.634 1.00 2.41 N ATOM 676 CA ALA A 42 3.470 -10.230 -6.103 1.00 54.40 C ATOM 677 C ALA A 42 2.917 -11.620 -5.791 1.00 5.02 C ATOM 678 O ALA A 42 3.627 -12.620 -5.895 1.00 51.40 O ATOM 679 CB ALA A 42 4.091 -9.619 -4.858 1.00 60.30 C ATOM 0 H ALA A 42 2.181 -8.582 -6.023 1.00 2.41 H new ATOM 0 HA ALA A 42 4.242 -10.335 -6.866 1.00 54.40 H new ATOM 0 HB1 ALA A 42 4.865 -10.283 -4.474 1.00 60.30 H new ATOM 0 HB2 ALA A 42 4.532 -8.654 -5.108 1.00 60.30 H new ATOM 0 HB3 ALA A 42 3.322 -9.481 -4.098 1.00 60.30 H new ATOM 685 N ILE A 43 1.646 -11.670 -5.405 1.00 1.21 N ATOM 686 CA ILE A 43 0.999 -12.930 -5.075 1.00 71.00 C ATOM 687 C ILE A 43 0.608 -13.700 -6.334 1.00 20.10 C ATOM 688 O ILE A 43 0.823 -14.910 -6.428 1.00 74.20 O ATOM 689 CB ILE A 43 -0.258 -12.710 -4.212 1.00 74.40 C ATOM 690 CG1 ILE A 43 0.062 -11.800 -3.028 1.00 73.20 C ATOM 691 CG2 ILE A 43 -0.807 -14.050 -3.725 1.00 13.20 C ATOM 692 CD1 ILE A 43 -1.163 -11.160 -2.410 1.00 14.50 C ATOM 0 H ILE A 43 1.045 -10.851 -5.314 1.00 1.21 H new ATOM 0 HA ILE A 43 1.724 -13.513 -4.507 1.00 71.00 H new ATOM 0 HB ILE A 43 -1.020 -12.225 -4.822 1.00 74.40 H new ATOM 0 HG12 ILE A 43 0.584 -12.379 -2.266 1.00 73.20 H new ATOM 0 HG13 ILE A 43 0.745 -11.017 -3.356 1.00 73.20 H new ATOM 0 HG21 ILE A 43 -1.695 -13.880 -3.116 1.00 13.20 H new ATOM 0 HG22 ILE A 43 -1.068 -14.670 -4.583 1.00 13.20 H new ATOM 0 HG23 ILE A 43 -0.050 -14.558 -3.128 1.00 13.20 H new ATOM 0 HD11 ILE A 43 -0.861 -10.527 -1.575 1.00 14.50 H new ATOM 0 HD12 ILE A 43 -1.674 -10.554 -3.158 1.00 14.50 H new ATOM 0 HD13 ILE A 43 -1.838 -11.937 -2.051 1.00 14.50 H new ATOM 704 N LYS A 44 0.032 -12.990 -7.299 1.00 34.10 N ATOM 705 CA LYS A 44 -0.391 -13.610 -8.551 1.00 53.30 C ATOM 706 C LYS A 44 0.789 -14.250 -9.270 1.00 5.12 C ATOM 707 O LYS A 44 0.738 -15.430 -9.631 1.00 41.10 O ATOM 708 CB LYS A 44 -1.046 -12.560 -9.460 1.00 20.00 C ATOM 709 CG LYS A 44 -2.161 -13.130 -10.320 1.00 63.30 C ATOM 710 CD LYS A 44 -2.111 -12.570 -11.740 1.00 35.10 C ATOM 711 CE LYS A 44 -2.026 -13.680 -12.780 1.00 61.40 C ATOM 712 NZ LYS A 44 -0.617 -14.060 -13.060 1.00 61.10 N ATOM 0 H LYS A 44 -0.152 -11.989 -7.239 1.00 34.10 H new ATOM 0 HA LYS A 44 -1.115 -14.391 -8.317 1.00 53.30 H new ATOM 0 HB2 LYS A 44 -1.446 -11.754 -8.845 1.00 20.00 H new ATOM 0 HB3 LYS A 44 -0.285 -12.121 -10.106 1.00 20.00 H new ATOM 0 HG2 LYS A 44 -2.078 -14.216 -10.353 1.00 63.30 H new ATOM 0 HG3 LYS A 44 -3.126 -12.897 -9.869 1.00 63.30 H new ATOM 0 HD2 LYS A 44 -2.999 -11.966 -11.924 1.00 35.10 H new ATOM 0 HD3 LYS A 44 -1.250 -11.910 -11.841 1.00 35.10 H new ATOM 0 HE2 LYS A 44 -2.576 -14.553 -12.427 1.00 61.40 H new ATOM 0 HE3 LYS A 44 -2.505 -13.353 -13.703 1.00 61.40 H new ATOM 0 HZ1 LYS A 44 -0.565 -14.548 -13.977 1.00 61.10 H new ATOM 0 HZ2 LYS A 44 -0.026 -13.205 -13.088 1.00 61.10 H new ATOM 0 HZ3 LYS A 44 -0.273 -14.694 -12.311 1.00 61.10 H new ATOM 726 N TYR A 45 1.849 -13.480 -9.475 1.00 61.30 N ATOM 727 CA TYR A 45 3.040 -13.980 -10.150 1.00 43.20 C ATOM 728 C TYR A 45 3.901 -14.810 -9.204 1.00 33.20 C ATOM 729 O TYR A 45 4.089 -16.000 -9.409 1.00 64.30 O ATOM 730 CB TYR A 45 3.857 -12.810 -10.710 1.00 31.20 C ATOM 731 CG TYR A 45 3.309 -12.260 -12.010 1.00 32.30 C ATOM 732 CD1 TYR A 45 2.088 -11.600 -12.040 1.00 34.30 C ATOM 733 CD2 TYR A 45 4.013 -12.400 -13.200 1.00 32.30 C ATOM 734 CE1 TYR A 45 1.584 -11.090 -13.230 1.00 32.10 C ATOM 735 CE2 TYR A 45 3.516 -11.900 -14.380 1.00 13.00 C ATOM 736 CZ TYR A 45 2.301 -11.240 -14.390 1.00 12.40 C ATOM 737 OH TYR A 45 1.802 -10.740 -15.570 1.00 53.40 O ATOM 0 H TYR A 45 1.909 -12.505 -9.183 1.00 61.30 H new ATOM 0 HA TYR A 45 2.720 -14.622 -10.971 1.00 43.20 H new ATOM 0 HB2 TYR A 45 3.887 -12.010 -9.970 1.00 31.20 H new ATOM 0 HB3 TYR A 45 4.885 -13.137 -10.867 1.00 31.20 H new ATOM 0 HD1 TYR A 45 1.523 -11.482 -11.127 1.00 34.30 H new ATOM 0 HD2 TYR A 45 4.965 -12.909 -13.198 1.00 32.30 H new ATOM 0 HE1 TYR A 45 0.633 -10.578 -13.242 1.00 32.10 H new ATOM 0 HE2 TYR A 45 4.073 -12.022 -15.297 1.00 13.00 H new ATOM 0 HH TYR A 45 2.431 -10.928 -16.297 1.00 53.40 H new ATOM 747 N GLU A 46 4.423 -14.160 -8.168 1.00 65.30 N ATOM 748 CA GLU A 46 5.265 -14.830 -7.189 1.00 11.20 C ATOM 749 C GLU A 46 4.422 -15.450 -6.075 1.00 20.10 C ATOM 750 O GLU A 46 4.261 -14.850 -5.008 1.00 24.50 O ATOM 751 CB GLU A 46 6.282 -13.860 -6.597 1.00 70.10 C ATOM 752 CG GLU A 46 7.485 -13.610 -7.494 1.00 15.50 C ATOM 753 CD GLU A 46 8.757 -13.360 -6.708 1.00 63.10 C ATOM 754 OE1 GLU A 46 8.666 -12.790 -5.600 1.00 34.10 O ATOM 755 OE2 GLU A 46 9.842 -13.730 -7.200 1.00 3.25 O ATOM 0 H GLU A 46 4.276 -13.167 -7.987 1.00 65.30 H new ATOM 0 HA GLU A 46 5.801 -15.629 -7.702 1.00 11.20 H new ATOM 0 HB2 GLU A 46 5.788 -12.910 -6.394 1.00 70.10 H new ATOM 0 HB3 GLU A 46 6.629 -14.250 -5.640 1.00 70.10 H new ATOM 0 HG2 GLU A 46 7.630 -14.469 -8.149 1.00 15.50 H new ATOM 0 HG3 GLU A 46 7.284 -12.751 -8.135 1.00 15.50 H new ATOM 762 N ALA A 47 3.887 -16.640 -6.329 1.00 60.20 N ATOM 763 CA ALA A 47 3.061 -17.330 -5.347 1.00 3.41 C ATOM 764 C ALA A 47 3.913 -18.190 -4.427 1.00 3.32 C ATOM 765 O ALA A 47 4.620 -19.090 -4.884 1.00 51.00 O ATOM 766 CB ALA A 47 2.006 -18.170 -6.045 1.00 22.30 C ATOM 0 H ALA A 47 4.011 -17.146 -7.206 1.00 60.20 H new ATOM 0 HA ALA A 47 2.559 -16.582 -4.734 1.00 3.41 H new ATOM 0 HB1 ALA A 47 1.396 -18.680 -5.300 1.00 22.30 H new ATOM 0 HB2 ALA A 47 1.372 -17.525 -6.654 1.00 22.30 H new ATOM 0 HB3 ALA A 47 2.492 -18.908 -6.683 1.00 22.30 H new ATOM 772 N HIS A 48 3.843 -17.920 -3.129 1.00 73.20 N ATOM 773 CA HIS A 48 4.608 -18.670 -2.144 1.00 51.30 C ATOM 774 C HIS A 48 3.695 -19.580 -1.325 1.00 74.50 C ATOM 775 O HIS A 48 2.544 -19.820 -1.695 1.00 25.30 O ATOM 776 CB HIS A 48 5.367 -17.720 -1.220 1.00 51.00 C ATOM 777 CG HIS A 48 6.855 -17.870 -1.295 1.00 14.10 C ATOM 778 ND1 HIS A 48 7.569 -17.720 -2.465 1.00 41.30 N ATOM 779 CD2 HIS A 48 7.766 -18.160 -0.336 1.00 62.10 C ATOM 780 CE1 HIS A 48 8.854 -17.910 -2.223 1.00 1.55 C ATOM 781 NE2 HIS A 48 8.999 -18.180 -0.939 1.00 61.50 N ATOM 0 H HIS A 48 3.260 -17.182 -2.734 1.00 73.20 H new ATOM 0 HA HIS A 48 5.327 -19.292 -2.677 1.00 51.30 H new ATOM 0 HB2 HIS A 48 5.101 -16.693 -1.471 1.00 51.00 H new ATOM 0 HB3 HIS A 48 5.045 -17.891 -0.193 1.00 51.00 H new ATOM 0 HD2 HIS A 48 7.561 -18.342 0.709 1.00 62.10 H new ATOM 0 HE1 HIS A 48 9.650 -17.854 -2.951 1.00 1.55 H new ATOM 0 HE2 HIS A 48 9.884 -18.372 -0.471 1.00 61.50 H new ATOM 790 N SER A 49 4.215 -20.090 -0.213 1.00 74.40 N ATOM 791 CA SER A 49 3.445 -20.970 0.656 1.00 71.20 C ATOM 792 C SER A 49 2.234 -20.250 1.234 1.00 12.20 C ATOM 793 O SER A 49 2.067 -19.040 1.036 1.00 3.44 O ATOM 794 CB SER A 49 4.327 -21.510 1.788 1.00 54.20 C ATOM 795 OG SER A 49 4.123 -22.890 1.986 1.00 31.10 O ATOM 0 H SER A 49 5.166 -19.908 0.107 1.00 74.40 H new ATOM 0 HA SER A 49 3.089 -21.806 0.054 1.00 71.20 H new ATOM 0 HB2 SER A 49 5.375 -21.326 1.554 1.00 54.20 H new ATOM 0 HB3 SER A 49 4.107 -20.972 2.710 1.00 54.20 H new ATOM 0 HG SER A 49 4.700 -23.205 2.713 1.00 31.10 H new ATOM 801 N ASP A 50 1.393 -20.990 1.949 1.00 43.40 N ATOM 802 CA ASP A 50 0.197 -20.410 2.556 1.00 10.20 C ATOM 803 C ASP A 50 0.563 -19.310 3.540 1.00 23.50 C ATOM 804 O ASP A 50 -0.152 -18.310 3.664 1.00 2.24 O ATOM 805 CB ASP A 50 -0.610 -21.500 3.268 1.00 50.40 C ATOM 806 CG ASP A 50 -2.071 -21.500 2.862 1.00 41.20 C ATOM 807 OD1 ASP A 50 -2.845 -20.710 3.443 1.00 45.30 O ATOM 808 OD2 ASP A 50 -2.440 -22.280 1.964 1.00 2.44 O ATOM 0 H ASP A 50 1.515 -21.988 2.123 1.00 43.40 H new ATOM 0 HA ASP A 50 -0.409 -19.972 1.763 1.00 10.20 H new ATOM 0 HB2 ASP A 50 -0.174 -22.474 3.045 1.00 50.40 H new ATOM 0 HB3 ASP A 50 -0.536 -21.357 4.346 1.00 50.40 H new ATOM 813 N LYS A 51 1.681 -19.490 4.236 1.00 2.14 N ATOM 814 CA LYS A 51 2.141 -18.500 5.209 1.00 61.30 C ATOM 815 C LYS A 51 2.392 -17.150 4.543 1.00 22.10 C ATOM 816 O LYS A 51 1.989 -16.110 5.058 1.00 74.10 O ATOM 817 CB LYS A 51 3.418 -18.990 5.897 1.00 24.00 C ATOM 818 CG LYS A 51 3.185 -19.530 7.301 1.00 63.20 C ATOM 819 CD LYS A 51 4.381 -19.270 8.203 1.00 43.40 C ATOM 820 CE LYS A 51 5.217 -20.520 8.397 1.00 62.40 C ATOM 821 NZ LYS A 51 6.254 -20.340 9.450 1.00 3.23 N ATOM 0 H LYS A 51 2.284 -20.308 4.147 1.00 2.14 H new ATOM 0 HA LYS A 51 1.358 -18.371 5.956 1.00 61.30 H new ATOM 0 HB2 LYS A 51 3.873 -19.771 5.287 1.00 24.00 H new ATOM 0 HB3 LYS A 51 4.132 -18.168 5.947 1.00 24.00 H new ATOM 0 HG2 LYS A 51 2.297 -19.064 7.729 1.00 63.20 H new ATOM 0 HG3 LYS A 51 2.991 -20.601 7.252 1.00 63.20 H new ATOM 0 HD2 LYS A 51 4.998 -18.482 7.771 1.00 43.40 H new ATOM 0 HD3 LYS A 51 4.035 -18.909 9.172 1.00 43.40 H new ATOM 0 HE2 LYS A 51 4.567 -21.352 8.667 1.00 62.40 H new ATOM 0 HE3 LYS A 51 5.699 -20.784 7.455 1.00 62.40 H new ATOM 0 HZ1 LYS A 51 6.803 -21.218 9.550 1.00 3.23 H new ATOM 0 HZ2 LYS A 51 6.890 -19.563 9.181 1.00 3.23 H new ATOM 0 HZ3 LYS A 51 5.794 -20.114 10.355 1.00 3.23 H new ATOM 835 N ALA A 52 3.062 -17.180 3.395 1.00 41.50 N ATOM 836 CA ALA A 52 3.368 -15.960 2.660 1.00 14.20 C ATOM 837 C ALA A 52 2.124 -15.400 1.973 1.00 62.30 C ATOM 838 O ALA A 52 1.888 -14.200 1.975 1.00 63.20 O ATOM 839 CB ALA A 52 4.464 -16.220 1.638 1.00 32.00 C ATOM 0 H ALA A 52 3.402 -18.035 2.955 1.00 41.50 H new ATOM 0 HA ALA A 52 3.720 -15.216 3.375 1.00 14.20 H new ATOM 0 HB1 ALA A 52 4.682 -15.300 1.096 1.00 32.00 H new ATOM 0 HB2 ALA A 52 5.364 -16.562 2.149 1.00 32.00 H new ATOM 0 HB3 ALA A 52 4.132 -16.985 0.935 1.00 32.00 H new ATOM 845 N LYS A 53 1.333 -16.290 1.384 1.00 5.41 N ATOM 846 CA LYS A 53 0.113 -15.890 0.692 1.00 0.44 C ATOM 847 C LYS A 53 -0.849 -15.190 1.644 1.00 71.50 C ATOM 848 O LYS A 53 -1.390 -14.130 1.326 1.00 53.30 O ATOM 849 CB LYS A 53 -0.569 -17.110 0.069 1.00 53.40 C ATOM 850 CG LYS A 53 -1.529 -16.760 -1.057 1.00 75.40 C ATOM 851 CD LYS A 53 -1.328 -17.660 -2.265 1.00 70.30 C ATOM 852 CE LYS A 53 -2.618 -17.840 -3.050 1.00 13.40 C ATOM 853 NZ LYS A 53 -2.377 -17.850 -4.520 1.00 60.20 N ATOM 0 H LYS A 53 1.515 -17.294 1.372 1.00 5.41 H new ATOM 0 HA LYS A 53 0.388 -15.191 -0.098 1.00 0.44 H new ATOM 0 HB2 LYS A 53 0.195 -17.788 -0.313 1.00 53.40 H new ATOM 0 HB3 LYS A 53 -1.113 -17.648 0.845 1.00 53.40 H new ATOM 0 HG2 LYS A 53 -2.556 -16.851 -0.702 1.00 75.40 H new ATOM 0 HG3 LYS A 53 -1.384 -15.720 -1.349 1.00 75.40 H new ATOM 0 HD2 LYS A 53 -0.563 -17.233 -2.914 1.00 70.30 H new ATOM 0 HD3 LYS A 53 -0.962 -18.633 -1.938 1.00 70.30 H new ATOM 0 HE2 LYS A 53 -3.096 -18.774 -2.754 1.00 13.40 H new ATOM 0 HE3 LYS A 53 -3.310 -17.035 -2.801 1.00 13.40 H new ATOM 0 HZ1 LYS A 53 -3.281 -17.975 -5.019 1.00 60.20 H new ATOM 0 HZ2 LYS A 53 -1.944 -16.949 -4.807 1.00 60.20 H new ATOM 0 HZ3 LYS A 53 -1.737 -18.633 -4.762 1.00 60.20 H new ATOM 867 N GLU A 54 -1.058 -15.790 2.813 1.00 64.20 N ATOM 868 CA GLU A 54 -1.956 -15.220 3.812 1.00 13.50 C ATOM 869 C GLU A 54 -1.377 -13.930 4.397 1.00 40.10 C ATOM 870 O GLU A 54 -2.109 -12.990 4.682 1.00 33.10 O ATOM 871 CB GLU A 54 -2.215 -16.230 4.930 1.00 12.10 C ATOM 872 CG GLU A 54 -3.013 -17.440 4.480 1.00 14.30 C ATOM 873 CD GLU A 54 -4.507 -17.260 4.665 1.00 1.10 C ATOM 874 OE1 GLU A 54 -5.151 -16.690 3.759 1.00 71.10 O ATOM 875 OE2 GLU A 54 -5.033 -17.680 5.714 1.00 21.30 O ATOM 0 H GLU A 54 -0.619 -16.668 3.091 1.00 64.20 H new ATOM 0 HA GLU A 54 -2.900 -14.982 3.321 1.00 13.50 H new ATOM 0 HB2 GLU A 54 -1.260 -16.565 5.335 1.00 12.10 H new ATOM 0 HB3 GLU A 54 -2.749 -15.734 5.741 1.00 12.10 H new ATOM 0 HG2 GLU A 54 -2.803 -17.638 3.429 1.00 14.30 H new ATOM 0 HG3 GLU A 54 -2.685 -18.315 5.041 1.00 14.30 H new ATOM 882 N SER A 55 -0.061 -13.910 4.575 1.00 64.40 N ATOM 883 CA SER A 55 0.617 -12.740 5.128 1.00 52.10 C ATOM 884 C SER A 55 0.459 -11.530 4.211 1.00 72.20 C ATOM 885 O SER A 55 0.128 -10.440 4.665 1.00 72.20 O ATOM 886 CB SER A 55 2.101 -13.040 5.343 1.00 53.00 C ATOM 887 OG SER A 55 2.763 -13.260 4.109 1.00 55.00 O ATOM 0 H SER A 55 0.558 -14.688 4.346 1.00 64.40 H new ATOM 0 HA SER A 55 0.156 -12.506 6.088 1.00 52.10 H new ATOM 0 HB2 SER A 55 2.571 -12.208 5.868 1.00 53.00 H new ATOM 0 HB3 SER A 55 2.209 -13.919 5.978 1.00 53.00 H new ATOM 0 HG SER A 55 2.126 -13.616 3.455 1.00 55.00 H new ATOM 893 N ILE A 56 0.702 -11.740 2.921 1.00 74.20 N ATOM 894 CA ILE A 56 0.589 -10.660 1.942 1.00 60.40 C ATOM 895 C ILE A 56 -0.869 -10.280 1.716 1.00 41.10 C ATOM 896 O ILE A 56 -1.200 -9.098 1.625 1.00 74.00 O ATOM 897 CB ILE A 56 1.218 -11.060 0.592 1.00 33.10 C ATOM 898 CG1 ILE A 56 2.633 -11.610 0.802 1.00 11.00 C ATOM 899 CG2 ILE A 56 1.239 -9.876 -0.356 1.00 41.30 C ATOM 900 CD1 ILE A 56 3.000 -12.720 -0.153 1.00 21.40 C ATOM 0 H ILE A 56 0.977 -12.641 2.529 1.00 74.20 H new ATOM 0 HA ILE A 56 1.129 -9.804 2.347 1.00 60.40 H new ATOM 0 HB ILE A 56 0.608 -11.845 0.145 1.00 33.10 H new ATOM 0 HG12 ILE A 56 3.350 -10.796 0.692 1.00 11.00 H new ATOM 0 HG13 ILE A 56 2.722 -11.978 1.824 1.00 11.00 H new ATOM 0 HG21 ILE A 56 1.686 -10.176 -1.304 1.00 41.30 H new ATOM 0 HG22 ILE A 56 0.220 -9.530 -0.529 1.00 41.30 H new ATOM 0 HG23 ILE A 56 1.826 -9.069 0.083 1.00 41.30 H new ATOM 0 HD11 ILE A 56 4.015 -13.059 0.056 1.00 21.40 H new ATOM 0 HD12 ILE A 56 2.307 -13.552 -0.028 1.00 21.40 H new ATOM 0 HD13 ILE A 56 2.944 -12.352 -1.177 1.00 21.40 H new ATOM 912 N ARG A 57 -1.736 -11.280 1.625 1.00 3.03 N ATOM 913 CA ARG A 57 -3.159 -11.040 1.408 1.00 51.50 C ATOM 914 C ARG A 57 -3.751 -10.200 2.530 1.00 33.00 C ATOM 915 O ARG A 57 -4.630 -9.371 2.298 1.00 54.20 O ATOM 916 CB ARG A 57 -3.908 -12.370 1.309 1.00 34.40 C ATOM 917 CG ARG A 57 -5.248 -12.270 0.601 1.00 54.10 C ATOM 918 CD ARG A 57 -5.126 -12.600 -0.877 1.00 72.30 C ATOM 919 NE ARG A 57 -6.432 -12.790 -1.504 1.00 22.20 N ATOM 920 CZ ARG A 57 -7.227 -11.800 -1.880 1.00 51.30 C ATOM 921 NH1 ARG A 57 -6.855 -10.540 -1.694 1.00 43.40 N ATOM 922 NH2 ARG A 57 -8.399 -12.060 -2.443 1.00 51.10 N ATOM 0 H ARG A 57 -1.480 -12.265 1.698 1.00 3.03 H new ATOM 0 HA ARG A 57 -3.269 -10.491 0.473 1.00 51.50 H new ATOM 0 HB2 ARG A 57 -3.282 -13.090 0.781 1.00 34.40 H new ATOM 0 HB3 ARG A 57 -4.067 -12.762 2.314 1.00 34.40 H new ATOM 0 HG2 ARG A 57 -5.959 -12.951 1.069 1.00 54.10 H new ATOM 0 HG3 ARG A 57 -5.647 -11.263 0.718 1.00 54.10 H new ATOM 0 HD2 ARG A 57 -4.593 -11.796 -1.385 1.00 72.30 H new ATOM 0 HD3 ARG A 57 -4.530 -13.505 -0.999 1.00 72.30 H new ATOM 0 HE ARG A 57 -6.752 -13.746 -1.662 1.00 22.20 H new ATOM 0 HH11 ARG A 57 -5.955 -10.333 -1.261 1.00 43.40 H new ATOM 0 HH12 ARG A 57 -7.469 -9.779 -1.984 1.00 43.40 H new ATOM 0 HH21 ARG A 57 -8.692 -13.026 -2.588 1.00 51.10 H new ATOM 0 HH22 ARG A 57 -9.008 -11.294 -2.731 1.00 51.10 H new ATOM 936 N ALA A 58 -3.265 -10.410 3.748 1.00 34.30 N ATOM 937 CA ALA A 58 -3.748 -9.678 4.907 1.00 55.20 C ATOM 938 C ALA A 58 -3.181 -8.261 4.935 1.00 2.14 C ATOM 939 O ALA A 58 -3.801 -7.346 5.475 1.00 24.50 O ATOM 940 CB ALA A 58 -3.391 -10.410 6.189 1.00 5.34 C ATOM 0 H ALA A 58 -2.531 -11.087 3.956 1.00 34.30 H new ATOM 0 HA ALA A 58 -4.833 -9.612 4.832 1.00 55.20 H new ATOM 0 HB1 ALA A 58 -3.761 -9.846 7.045 1.00 5.34 H new ATOM 0 HB2 ALA A 58 -3.847 -11.400 6.182 1.00 5.34 H new ATOM 0 HB3 ALA A 58 -2.308 -10.510 6.261 1.00 5.34 H new ATOM 946 N LYS A 59 -1.998 -8.089 4.354 1.00 52.10 N ATOM 947 CA LYS A 59 -1.347 -6.783 4.317 1.00 53.40 C ATOM 948 C LYS A 59 -2.011 -5.865 3.295 1.00 31.10 C ATOM 949 O LYS A 59 -2.285 -4.699 3.580 1.00 72.10 O ATOM 950 CB LYS A 59 0.140 -6.942 3.988 1.00 53.50 C ATOM 951 CG LYS A 59 1.035 -6.974 5.216 1.00 30.10 C ATOM 952 CD LYS A 59 2.494 -6.761 4.846 1.00 73.10 C ATOM 953 CE LYS A 59 3.422 -7.174 5.978 1.00 62.40 C ATOM 954 NZ LYS A 59 4.649 -7.851 5.472 1.00 61.20 N ATOM 0 H LYS A 59 -1.471 -8.836 3.903 1.00 52.10 H new ATOM 0 HA LYS A 59 -1.450 -6.328 5.302 1.00 53.40 H new ATOM 0 HB2 LYS A 59 0.282 -7.862 3.421 1.00 53.50 H new ATOM 0 HB3 LYS A 59 0.451 -6.120 3.343 1.00 53.50 H new ATOM 0 HG2 LYS A 59 0.720 -6.202 5.918 1.00 30.10 H new ATOM 0 HG3 LYS A 59 0.923 -7.932 5.724 1.00 30.10 H new ATOM 0 HD2 LYS A 59 2.731 -7.336 3.951 1.00 73.10 H new ATOM 0 HD3 LYS A 59 2.659 -5.711 4.603 1.00 73.10 H new ATOM 0 HE2 LYS A 59 3.705 -6.294 6.555 1.00 62.40 H new ATOM 0 HE3 LYS A 59 2.892 -7.843 6.656 1.00 62.40 H new ATOM 0 HZ1 LYS A 59 5.255 -8.117 6.274 1.00 61.20 H new ATOM 0 HZ2 LYS A 59 4.381 -8.705 4.943 1.00 61.20 H new ATOM 0 HZ3 LYS A 59 5.169 -7.204 4.845 1.00 61.20 H new ATOM 968 N CYS A 60 -2.260 -6.395 2.102 1.00 61.30 N ATOM 969 CA CYS A 60 -2.885 -5.619 1.036 1.00 33.40 C ATOM 970 C CYS A 60 -4.307 -5.211 1.409 1.00 61.50 C ATOM 971 O CYS A 60 -4.726 -4.082 1.153 1.00 20.50 O ATOM 972 CB CYS A 60 -2.897 -6.420 -0.267 1.00 5.00 C ATOM 973 SG CYS A 60 -3.822 -7.971 -0.172 1.00 0.35 S ATOM 0 H CYS A 60 -2.039 -7.358 1.849 1.00 61.30 H new ATOM 0 HA CYS A 60 -2.297 -4.712 0.894 1.00 33.40 H new ATOM 0 HB2 CYS A 60 -3.325 -5.802 -1.057 1.00 5.00 H new ATOM 0 HB3 CYS A 60 -1.869 -6.640 -0.555 1.00 5.00 H new ATOM 0 HG CYS A 60 -3.945 -8.328 1.072 1.00 0.35 H new ATOM 979 N VAL A 61 -5.048 -6.136 2.010 1.00 50.20 N ATOM 980 CA VAL A 61 -6.424 -5.868 2.412 1.00 3.30 C ATOM 981 C VAL A 61 -6.484 -4.800 3.501 1.00 31.40 C ATOM 982 O VAL A 61 -7.405 -3.984 3.532 1.00 14.40 O ATOM 983 CB VAL A 61 -7.123 -7.147 2.917 1.00 73.30 C ATOM 984 CG1 VAL A 61 -6.416 -7.697 4.146 1.00 64.30 C ATOM 985 CG2 VAL A 61 -8.590 -6.874 3.213 1.00 44.30 C ATOM 0 H VAL A 61 -4.719 -7.076 2.229 1.00 50.20 H new ATOM 0 HA VAL A 61 -6.946 -5.505 1.526 1.00 3.30 H new ATOM 0 HB VAL A 61 -7.069 -7.900 2.131 1.00 73.30 H new ATOM 0 HG11 VAL A 61 -6.925 -8.599 4.486 1.00 64.30 H new ATOM 0 HG12 VAL A 61 -5.383 -7.937 3.895 1.00 64.30 H new ATOM 0 HG13 VAL A 61 -6.432 -6.950 4.940 1.00 64.30 H new ATOM 0 HG21 VAL A 61 -9.066 -7.788 3.568 1.00 44.30 H new ATOM 0 HG22 VAL A 61 -8.669 -6.103 3.979 1.00 44.30 H new ATOM 0 HG23 VAL A 61 -9.088 -6.535 2.304 1.00 44.30 H new ATOM 995 N GLN A 62 -5.499 -4.813 4.393 1.00 63.20 N ATOM 996 CA GLN A 62 -5.444 -3.847 5.484 1.00 32.50 C ATOM 997 C GLN A 62 -5.106 -2.452 4.963 1.00 20.20 C ATOM 998 O GLN A 62 -5.657 -1.455 5.431 1.00 74.10 O ATOM 999 CB GLN A 62 -4.410 -4.281 6.526 1.00 34.40 C ATOM 1000 CG GLN A 62 -4.917 -4.195 7.957 1.00 10.20 C ATOM 1001 CD GLN A 62 -4.867 -5.529 8.676 1.00 10.20 C ATOM 1002 OE1 GLN A 62 -3.790 -6.055 8.959 1.00 2.54 O ATOM 1003 NE2 GLN A 62 -6.035 -6.085 8.976 1.00 63.50 N ATOM 0 H GLN A 62 -4.729 -5.481 4.382 1.00 63.20 H new ATOM 0 HA GLN A 62 -6.428 -3.810 5.952 1.00 32.50 H new ATOM 0 HB2 GLN A 62 -4.105 -5.307 6.318 1.00 34.40 H new ATOM 0 HB3 GLN A 62 -3.521 -3.658 6.426 1.00 34.40 H new ATOM 0 HG2 GLN A 62 -4.320 -3.468 8.507 1.00 10.20 H new ATOM 0 HG3 GLN A 62 -5.943 -3.827 7.953 1.00 10.20 H new ATOM 0 HE21 GLN A 62 -6.904 -5.614 8.723 1.00 63.50 H new ATOM 0 HE22 GLN A 62 -6.063 -6.983 9.460 1.00 63.50 H new ATOM 1012 N TYR A 63 -4.198 -2.389 3.996 1.00 11.20 N ATOM 1013 CA TYR A 63 -3.787 -1.116 3.415 1.00 41.50 C ATOM 1014 C TYR A 63 -4.899 -0.521 2.557 1.00 22.00 C ATOM 1015 O TYR A 63 -5.084 0.695 2.520 1.00 55.10 O ATOM 1016 CB TYR A 63 -2.522 -1.300 2.573 1.00 1.52 C ATOM 1017 CG TYR A 63 -1.275 -1.537 3.394 1.00 34.10 C ATOM 1018 CD1 TYR A 63 -0.885 -0.635 4.376 1.00 64.10 C ATOM 1019 CD2 TYR A 63 -0.487 -2.662 3.186 1.00 32.30 C ATOM 1020 CE1 TYR A 63 0.256 -0.848 5.128 1.00 52.50 C ATOM 1021 CE2 TYR A 63 0.654 -2.882 3.934 1.00 11.00 C ATOM 1022 CZ TYR A 63 1.021 -1.972 4.903 1.00 1.35 C ATOM 1023 OH TYR A 63 2.157 -2.188 5.649 1.00 40.10 O ATOM 0 H TYR A 63 -3.732 -3.204 3.598 1.00 11.20 H new ATOM 0 HA TYR A 63 -3.576 -0.426 4.232 1.00 41.50 H new ATOM 0 HB2 TYR A 63 -2.666 -2.142 1.896 1.00 1.52 H new ATOM 0 HB3 TYR A 63 -2.376 -0.415 1.954 1.00 1.52 H new ATOM 0 HD1 TYR A 63 -1.482 0.247 4.555 1.00 64.10 H new ATOM 0 HD2 TYR A 63 -0.771 -3.376 2.427 1.00 32.30 H new ATOM 0 HE1 TYR A 63 0.546 -0.137 5.888 1.00 52.50 H new ATOM 0 HE2 TYR A 63 1.255 -3.762 3.761 1.00 11.00 H new ATOM 0 HH TYR A 63 2.580 -3.025 5.366 1.00 40.10 H new ATOM 1033 N LEU A 64 -5.636 -1.386 1.867 1.00 12.50 N ATOM 1034 CA LEU A 64 -6.729 -0.945 1.008 1.00 40.00 C ATOM 1035 C LEU A 64 -7.810 -0.234 1.818 1.00 43.30 C ATOM 1036 O LEU A 64 -8.422 0.725 1.348 1.00 4.24 O ATOM 1037 CB LEU A 64 -7.330 -2.138 0.260 1.00 64.10 C ATOM 1038 CG LEU A 64 -7.065 -2.158 -1.246 1.00 2.05 C ATOM 1039 CD1 LEU A 64 -7.198 -3.571 -1.794 1.00 3.10 C ATOM 1040 CD2 LEU A 64 -8.015 -1.213 -1.966 1.00 13.10 C ATOM 0 H LEU A 64 -5.496 -2.396 1.886 1.00 12.50 H new ATOM 0 HA LEU A 64 -6.326 -0.238 0.283 1.00 40.00 H new ATOM 0 HB2 LEU A 64 -6.936 -3.056 0.695 1.00 64.10 H new ATOM 0 HB3 LEU A 64 -8.408 -2.145 0.424 1.00 64.10 H new ATOM 0 HG LEU A 64 -6.044 -1.818 -1.420 1.00 2.05 H new ATOM 0 HD11 LEU A 64 -7.006 -3.565 -2.867 1.00 3.10 H new ATOM 0 HD12 LEU A 64 -6.477 -4.222 -1.300 1.00 3.10 H new ATOM 0 HD13 LEU A 64 -8.207 -3.940 -1.608 1.00 3.10 H new ATOM 0 HD21 LEU A 64 -7.813 -1.240 -3.037 1.00 13.10 H new ATOM 0 HD22 LEU A 64 -9.044 -1.523 -1.783 1.00 13.10 H new ATOM 0 HD23 LEU A 64 -7.870 -0.199 -1.594 1.00 13.10 H new ATOM 1052 N ASP A 65 -8.043 -0.713 3.036 1.00 45.10 N ATOM 1053 CA ASP A 65 -9.052 -0.125 3.909 1.00 4.54 C ATOM 1054 C ASP A 65 -8.618 1.254 4.396 1.00 43.10 C ATOM 1055 O ASP A 65 -9.438 2.164 4.525 1.00 24.10 O ATOM 1056 CB ASP A 65 -9.317 -1.040 5.105 1.00 62.10 C ATOM 1057 CG ASP A 65 -10.750 -0.955 5.592 1.00 21.10 C ATOM 1058 OD1 ASP A 65 -11.040 -0.052 6.402 1.00 32.40 O ATOM 1059 OD2 ASP A 65 -11.570 -1.791 5.165 1.00 54.40 O ATOM 0 H ASP A 65 -7.546 -1.507 3.441 1.00 45.10 H new ATOM 0 HA ASP A 65 -9.971 -0.013 3.334 1.00 4.54 H new ATOM 0 HB2 ASP A 65 -9.091 -2.070 4.828 1.00 62.10 H new ATOM 0 HB3 ASP A 65 -8.643 -0.773 5.919 1.00 62.10 H new ATOM 1064 N ARG A 66 -7.326 1.401 4.669 1.00 25.30 N ATOM 1065 CA ARG A 66 -6.784 2.669 5.145 1.00 53.30 C ATOM 1066 C ARG A 66 -6.796 3.720 4.039 1.00 34.10 C ATOM 1067 O ARG A 66 -7.203 4.861 4.257 1.00 44.00 O ATOM 1068 CB ARG A 66 -5.358 2.473 5.665 1.00 63.10 C ATOM 1069 CG ARG A 66 -5.088 3.186 6.980 1.00 24.30 C ATOM 1070 CD ARG A 66 -4.454 4.549 6.756 1.00 65.20 C ATOM 1071 NE ARG A 66 -5.035 5.572 7.623 1.00 31.10 N ATOM 1072 CZ ARG A 66 -4.792 5.663 8.928 1.00 30.20 C ATOM 1073 NH1 ARG A 66 -3.980 4.797 9.521 1.00 43.20 N ATOM 1074 NH2 ARG A 66 -5.363 6.623 9.643 1.00 63.50 N ATOM 0 H ARG A 66 -6.634 0.658 4.569 1.00 25.30 H new ATOM 0 HA ARG A 66 -7.416 3.022 5.960 1.00 53.30 H new ATOM 0 HB2 ARG A 66 -5.170 1.407 5.794 1.00 63.10 H new ATOM 0 HB3 ARG A 66 -4.654 2.832 4.915 1.00 63.10 H new ATOM 0 HG2 ARG A 66 -6.022 3.304 7.529 1.00 24.30 H new ATOM 0 HG3 ARG A 66 -4.430 2.575 7.598 1.00 24.30 H new ATOM 0 HD2 ARG A 66 -3.382 4.485 6.940 1.00 65.20 H new ATOM 0 HD3 ARG A 66 -4.582 4.842 5.714 1.00 65.20 H new ATOM 0 HE ARG A 66 -5.664 6.257 7.203 1.00 31.10 H new ATOM 0 HH11 ARG A 66 -3.538 4.057 8.976 1.00 43.20 H new ATOM 0 HH12 ARG A 66 -3.798 4.872 10.522 1.00 43.20 H new ATOM 0 HH21 ARG A 66 -5.988 7.291 9.192 1.00 63.50 H new ATOM 0 HH22 ARG A 66 -5.177 6.693 10.643 1.00 63.50 H new ATOM 1088 N ALA A 67 -6.345 3.328 2.852 1.00 70.10 N ATOM 1089 CA ALA A 67 -6.301 4.235 1.711 1.00 30.20 C ATOM 1090 C ALA A 67 -7.688 4.779 1.383 1.00 30.30 C ATOM 1091 O ALA A 67 -7.823 5.891 0.871 1.00 12.00 O ATOM 1092 CB ALA A 67 -5.709 3.530 0.501 1.00 74.20 C ATOM 0 H ALA A 67 -6.004 2.387 2.655 1.00 70.10 H new ATOM 0 HA ALA A 67 -5.664 5.079 1.975 1.00 30.20 H new ATOM 0 HB1 ALA A 67 -5.682 4.218 -0.344 1.00 74.20 H new ATOM 0 HB2 ALA A 67 -4.697 3.199 0.732 1.00 74.20 H new ATOM 0 HB3 ALA A 67 -6.324 2.667 0.246 1.00 74.20 H new ATOM 1098 N GLU A 68 -8.715 3.990 1.679 1.00 13.20 N ATOM 1099 CA GLU A 68 -10.090 4.395 1.412 1.00 4.35 C ATOM 1100 C GLU A 68 -10.530 5.494 2.373 1.00 54.50 C ATOM 1101 O GLU A 68 -11.330 6.355 2.018 1.00 54.20 O ATOM 1102 CB GLU A 68 -11.030 3.192 1.527 1.00 34.20 C ATOM 1103 CG GLU A 68 -11.260 2.477 0.206 1.00 14.30 C ATOM 1104 CD GLU A 68 -12.670 1.942 0.077 1.00 71.10 C ATOM 1105 OE1 GLU A 68 -13.550 2.695 -0.392 1.00 3.02 O ATOM 1106 OE2 GLU A 68 -12.900 0.771 0.447 1.00 43.40 O ATOM 0 H GLU A 68 -8.621 3.067 2.103 1.00 13.20 H new ATOM 0 HA GLU A 68 -10.136 4.787 0.396 1.00 4.35 H new ATOM 0 HB2 GLU A 68 -10.617 2.485 2.247 1.00 34.20 H new ATOM 0 HB3 GLU A 68 -11.989 3.526 1.922 1.00 34.20 H new ATOM 0 HG2 GLU A 68 -11.059 3.164 -0.616 1.00 14.30 H new ATOM 0 HG3 GLU A 68 -10.552 1.653 0.114 1.00 14.30 H new ATOM 1113 N LYS A 69 -10.000 5.459 3.591 1.00 42.30 N ATOM 1114 CA LYS A 69 -10.340 6.453 4.602 1.00 4.23 C ATOM 1115 C LYS A 69 -9.667 7.787 4.307 1.00 41.00 C ATOM 1116 O LYS A 69 -10.210 8.850 4.592 1.00 0.42 O ATOM 1117 CB LYS A 69 -9.937 5.958 5.991 1.00 10.50 C ATOM 1118 CG LYS A 69 -10.580 6.733 7.128 1.00 53.00 C ATOM 1119 CD LYS A 69 -9.564 7.171 8.163 1.00 33.50 C ATOM 1120 CE LYS A 69 -8.925 8.499 7.788 1.00 44.50 C ATOM 1121 NZ LYS A 69 -8.378 9.209 8.977 1.00 15.50 N ATOM 0 H LYS A 69 -9.333 4.753 3.902 1.00 42.30 H new ATOM 0 HA LYS A 69 -11.419 6.602 4.577 1.00 4.23 H new ATOM 0 HB2 LYS A 69 -10.205 4.906 6.084 1.00 10.50 H new ATOM 0 HB3 LYS A 69 -8.853 6.020 6.088 1.00 10.50 H new ATOM 0 HG2 LYS A 69 -11.089 7.609 6.727 1.00 53.00 H new ATOM 0 HG3 LYS A 69 -11.339 6.113 7.605 1.00 53.00 H new ATOM 0 HD2 LYS A 69 -10.049 7.261 9.135 1.00 33.50 H new ATOM 0 HD3 LYS A 69 -8.791 6.409 8.261 1.00 33.50 H new ATOM 0 HE2 LYS A 69 -8.124 8.326 7.069 1.00 44.50 H new ATOM 0 HE3 LYS A 69 -9.664 9.131 7.296 1.00 44.50 H new ATOM 0 HZ1 LYS A 69 -7.951 10.109 8.678 1.00 15.50 H new ATOM 0 HZ2 LYS A 69 -9.146 9.397 9.653 1.00 15.50 H new ATOM 0 HZ3 LYS A 69 -7.654 8.617 9.432 1.00 15.50 H new ATOM 1135 N LEU A 70 -8.469 7.723 3.737 1.00 61.10 N ATOM 1136 CA LEU A 70 -7.714 8.926 3.405 1.00 4.23 C ATOM 1137 C LEU A 70 -8.431 9.745 2.336 1.00 63.30 C ATOM 1138 O LEU A 70 -8.412 10.975 2.366 1.00 5.34 O ATOM 1139 CB LEU A 70 -6.311 8.555 2.922 1.00 63.20 C ATOM 1140 CG LEU A 70 -5.500 7.691 3.890 1.00 5.21 C ATOM 1141 CD1 LEU A 70 -4.168 7.300 3.269 1.00 73.30 C ATOM 1142 CD2 LEU A 70 -5.283 8.426 5.204 1.00 2.32 C ATOM 0 H LEU A 70 -7.999 6.851 3.495 1.00 61.10 H new ATOM 0 HA LEU A 70 -7.634 9.533 4.307 1.00 4.23 H new ATOM 0 HB2 LEU A 70 -6.398 8.026 1.973 1.00 63.20 H new ATOM 0 HB3 LEU A 70 -5.756 9.473 2.726 1.00 63.20 H new ATOM 0 HG LEU A 70 -6.063 6.780 4.094 1.00 5.21 H new ATOM 0 HD11 LEU A 70 -3.605 6.686 3.972 1.00 73.30 H new ATOM 0 HD12 LEU A 70 -4.345 6.735 2.354 1.00 73.30 H new ATOM 0 HD13 LEU A 70 -3.598 8.199 3.035 1.00 73.30 H new ATOM 0 HD21 LEU A 70 -4.705 7.798 5.881 1.00 2.32 H new ATOM 0 HD22 LEU A 70 -4.741 9.353 5.017 1.00 2.32 H new ATOM 0 HD23 LEU A 70 -6.248 8.655 5.657 1.00 2.32 H new ATOM 1154 N LYS A 71 -9.061 9.055 1.391 1.00 73.20 N ATOM 1155 CA LYS A 71 -9.782 9.720 0.311 1.00 10.10 C ATOM 1156 C LYS A 71 -11.000 10.468 0.844 1.00 11.20 C ATOM 1157 O LYS A 71 -11.230 11.626 0.497 1.00 72.10 O ATOM 1158 CB LYS A 71 -10.210 8.701 -0.744 1.00 4.12 C ATOM 1159 CG LYS A 71 -10.120 9.223 -2.169 1.00 31.20 C ATOM 1160 CD LYS A 71 -11.260 8.706 -3.028 1.00 63.40 C ATOM 1161 CE LYS A 71 -10.880 8.669 -4.499 1.00 32.40 C ATOM 1162 NZ LYS A 71 -12.050 8.923 -5.384 1.00 24.20 N ATOM 0 H LYS A 71 -9.087 8.036 1.351 1.00 73.20 H new ATOM 0 HA LYS A 71 -9.111 10.446 -0.147 1.00 10.10 H new ATOM 0 HB2 LYS A 71 -9.586 7.812 -0.652 1.00 4.12 H new ATOM 0 HB3 LYS A 71 -11.236 8.393 -0.543 1.00 4.12 H new ATOM 0 HG2 LYS A 71 -10.137 10.313 -2.159 1.00 31.20 H new ATOM 0 HG3 LYS A 71 -9.168 8.923 -2.607 1.00 31.20 H new ATOM 0 HD2 LYS A 71 -11.540 7.705 -2.699 1.00 63.40 H new ATOM 0 HD3 LYS A 71 -12.135 9.342 -2.894 1.00 63.40 H new ATOM 0 HE2 LYS A 71 -10.110 9.415 -4.693 1.00 32.40 H new ATOM 0 HE3 LYS A 71 -10.449 7.697 -4.738 1.00 32.40 H new ATOM 0 HZ1 LYS A 71 -11.881 8.491 -6.315 1.00 24.20 H new ATOM 0 HZ2 LYS A 71 -12.903 8.507 -4.959 1.00 24.20 H new ATOM 0 HZ3 LYS A 71 -12.184 9.948 -5.497 1.00 24.20 H new ATOM 1176 N ASP A 72 -11.770 9.798 1.689 1.00 53.40 N ATOM 1177 CA ASP A 72 -12.970 10.400 2.268 1.00 53.20 C ATOM 1178 C ASP A 72 -12.610 11.582 3.164 1.00 21.20 C ATOM 1179 O ASP A 72 -13.390 12.520 3.315 1.00 33.00 O ATOM 1180 CB ASP A 72 -13.750 9.358 3.068 1.00 20.30 C ATOM 1181 CG ASP A 72 -15.250 9.457 2.836 1.00 4.11 C ATOM 1182 OD1 ASP A 72 -15.690 9.223 1.691 1.00 22.20 O ATOM 1183 OD2 ASP A 72 -15.980 9.770 3.799 1.00 20.10 O ATOM 0 H ASP A 72 -11.589 8.840 1.990 1.00 53.40 H new ATOM 0 HA ASP A 72 -13.594 10.765 1.452 1.00 53.20 H new ATOM 0 HB2 ASP A 72 -13.407 8.361 2.793 1.00 20.30 H new ATOM 0 HB3 ASP A 72 -13.539 9.486 4.130 1.00 20.30 H new ATOM 1188 N TYR A 73 -11.420 11.528 3.759 1.00 74.10 N ATOM 1189 CA TYR A 73 -10.960 12.594 4.641 1.00 65.30 C ATOM 1190 C TYR A 73 -10.600 13.848 3.847 1.00 73.20 C ATOM 1191 O TYR A 73 -11.050 14.948 4.174 1.00 43.30 O ATOM 1192 CB TYR A 73 -9.751 12.127 5.448 1.00 55.20 C ATOM 1193 CG TYR A 73 -9.250 13.154 6.439 1.00 10.10 C ATOM 1194 CD1 TYR A 73 -8.489 14.238 6.021 1.00 42.30 C ATOM 1195 CD2 TYR A 73 -9.540 13.039 7.793 1.00 4.15 C ATOM 1196 CE1 TYR A 73 -8.030 15.178 6.924 1.00 2.31 C ATOM 1197 CE2 TYR A 73 -9.084 13.975 8.702 1.00 4.14 C ATOM 1198 CZ TYR A 73 -8.330 15.042 8.263 1.00 64.30 C ATOM 1199 OH TYR A 73 -7.875 15.976 9.165 1.00 71.30 O ATOM 0 H TYR A 73 -10.760 10.759 3.646 1.00 74.10 H new ATOM 0 HA TYR A 73 -11.774 12.841 5.323 1.00 65.30 H new ATOM 0 HB2 TYR A 73 -10.013 11.215 5.984 1.00 55.20 H new ATOM 0 HB3 TYR A 73 -8.943 11.872 4.762 1.00 55.20 H new ATOM 0 HD1 TYR A 73 -8.252 14.348 4.973 1.00 42.30 H new ATOM 0 HD2 TYR A 73 -10.131 12.205 8.141 1.00 4.15 H new ATOM 0 HE1 TYR A 73 -7.439 16.015 6.583 1.00 2.31 H new ATOM 0 HE2 TYR A 73 -9.317 13.871 9.751 1.00 4.14 H new ATOM 0 HH TYR A 73 -8.175 15.734 10.066 1.00 71.30 H new ATOM 1209 N LEU A 74 -9.803 13.674 2.804 1.00 54.50 N ATOM 1210 CA LEU A 74 -9.386 14.792 1.966 1.00 50.40 C ATOM 1211 C LEU A 74 -10.540 15.288 1.101 1.00 32.30 C ATOM 1212 O LEU A 74 -10.650 16.482 0.824 1.00 73.40 O ATOM 1213 CB LEU A 74 -8.209 14.383 1.079 1.00 40.30 C ATOM 1214 CG LEU A 74 -8.476 13.191 0.158 1.00 71.30 C ATOM 1215 CD1 LEU A 74 -9.073 13.658 -1.161 1.00 34.20 C ATOM 1216 CD2 LEU A 74 -7.194 12.407 -0.082 1.00 62.30 C ATOM 0 H LEU A 74 -9.431 12.769 2.516 1.00 54.50 H new ATOM 0 HA LEU A 74 -9.073 15.604 2.622 1.00 50.40 H new ATOM 0 HB2 LEU A 74 -7.920 15.238 0.467 1.00 40.30 H new ATOM 0 HB3 LEU A 74 -7.358 14.146 1.717 1.00 40.30 H new ATOM 0 HG LEU A 74 -9.196 12.533 0.645 1.00 71.30 H new ATOM 0 HD11 LEU A 74 -9.256 12.796 -1.803 1.00 34.20 H new ATOM 0 HD12 LEU A 74 -10.013 14.176 -0.972 1.00 34.20 H new ATOM 0 HD13 LEU A 74 -8.378 14.337 -1.655 1.00 34.20 H new ATOM 0 HD21 LEU A 74 -7.402 11.562 -0.739 1.00 62.30 H new ATOM 0 HD22 LEU A 74 -6.453 13.056 -0.548 1.00 62.30 H new ATOM 0 HD23 LEU A 74 -6.808 12.040 0.869 1.00 62.30 H new ATOM 1228 N ARG A 75 -11.390 14.364 0.677 1.00 21.40 N ATOM 1229 CA ARG A 75 -12.540 14.710 -0.156 1.00 20.50 C ATOM 1230 C ARG A 75 -13.530 15.584 0.611 1.00 24.20 C ATOM 1231 O ARG A 75 -14.000 16.598 0.099 1.00 32.30 O ATOM 1232 CB ARG A 75 -13.240 13.443 -0.653 1.00 45.10 C ATOM 1233 CG ARG A 75 -12.640 12.883 -1.934 1.00 53.50 C ATOM 1234 CD ARG A 75 -13.720 12.435 -2.906 1.00 5.21 C ATOM 1235 NE ARG A 75 -13.260 12.479 -4.292 1.00 33.40 N ATOM 1236 CZ ARG A 75 -13.180 13.595 -5.013 1.00 14.10 C ATOM 1237 NH1 ARG A 75 -13.530 14.761 -4.483 1.00 50.10 N ATOM 1238 NH2 ARG A 75 -12.750 13.547 -6.267 1.00 43.40 N ATOM 0 H ARG A 75 -11.308 13.371 0.894 1.00 21.40 H new ATOM 0 HA ARG A 75 -12.174 15.275 -1.014 1.00 20.50 H new ATOM 0 HB2 ARG A 75 -13.192 12.681 0.125 1.00 45.10 H new ATOM 0 HB3 ARG A 75 -14.295 13.661 -0.820 1.00 45.10 H new ATOM 0 HG2 ARG A 75 -12.016 13.641 -2.406 1.00 53.50 H new ATOM 0 HG3 ARG A 75 -11.992 12.040 -1.695 1.00 53.50 H new ATOM 0 HD2 ARG A 75 -14.032 11.420 -2.659 1.00 5.21 H new ATOM 0 HD3 ARG A 75 -14.596 13.074 -2.794 1.00 5.21 H new ATOM 0 HE ARG A 75 -12.984 11.602 -4.734 1.00 33.40 H new ATOM 0 HH11 ARG A 75 -13.862 14.804 -3.519 1.00 50.10 H new ATOM 0 HH12 ARG A 75 -13.467 15.614 -5.039 1.00 50.10 H new ATOM 0 HH21 ARG A 75 -12.480 12.654 -6.680 1.00 43.40 H new ATOM 0 HH22 ARG A 75 -12.689 14.403 -6.818 1.00 43.40 H new ATOM 1252 N SER A 76 -13.830 15.183 1.840 1.00 2.21 N ATOM 1253 CA SER A 76 -14.760 15.931 2.677 1.00 24.10 C ATOM 1254 C SER A 76 -14.230 17.330 2.969 1.00 50.30 C ATOM 1255 O SER A 76 -14.960 18.317 2.871 1.00 43.30 O ATOM 1256 CB SER A 76 -15.010 15.185 3.989 1.00 14.50 C ATOM 1257 OG SER A 76 -16.290 15.498 4.517 1.00 22.10 O ATOM 0 H SER A 76 -13.444 14.347 2.278 1.00 2.21 H new ATOM 0 HA SER A 76 -15.700 16.026 2.134 1.00 24.10 H new ATOM 0 HB2 SER A 76 -14.935 14.111 3.820 1.00 14.50 H new ATOM 0 HB3 SER A 76 -14.240 15.448 4.714 1.00 14.50 H new ATOM 0 HG SER A 76 -16.427 15.008 5.354 1.00 22.10 H new