USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 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 8 LYS NZ :NH3+ -125:sc= 0.281 (180deg=0) USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= 0.173 USER MOD Single : A 5 THR OG1 : rot 15:sc= 0.696 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 80:sc= 1.1 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+ -171:sc= 0 (180deg=-0.00984) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= 0.276 F(o=-0.4,f=0.28) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 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= -0.417 X(o=-0.42,f=-0.018) USER MOD Single : A 41 HIS : no HD1:sc= -1.96 K(o=-2,f=-6.1!) USER MOD Single : A 44 LYS NZ :NH3+ -145:sc= 0.252 (180deg=-0.924) 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=-0.0074) 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 91:sc= 0.00806 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot -28:sc= 0.558 USER MOD Single : A 62 GLN : amide:sc=-0.00683 X(o=-0.0068,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+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.250 -7.057 -5.538 1.00 25.00 N ATOM 60 CA THR A 5 7.926 -6.504 -5.280 1.00 11.50 C ATOM 61 C THR A 5 7.683 -6.344 -3.783 1.00 42.30 C ATOM 62 O THR A 5 6.967 -5.439 -3.353 1.00 52.20 O ATOM 63 CB THR A 5 6.848 -7.399 -5.892 1.00 14.40 C ATOM 64 OG1 THR A 5 7.381 -8.172 -6.953 1.00 1.24 O ATOM 65 CG2 THR A 5 5.667 -6.625 -6.438 1.00 22.20 C ATOM 0 HA THR A 5 7.876 -5.519 -5.743 1.00 11.50 H new ATOM 0 HB THR A 5 6.501 -8.033 -5.076 1.00 14.40 H new ATOM 0 HG1 THR A 5 8.360 -8.150 -6.914 1.00 1.24 H new ATOM 0 HG21 THR A 5 4.939 -7.320 -6.858 1.00 22.20 H new ATOM 0 HG22 THR A 5 5.202 -6.055 -5.634 1.00 22.20 H new ATOM 0 HG23 THR A 5 6.008 -5.943 -7.217 1.00 22.20 H new ATOM 73 N LEU A 6 8.281 -7.230 -2.993 1.00 21.40 N ATOM 74 CA LEU A 6 8.128 -7.187 -1.544 1.00 14.20 C ATOM 75 C LEU A 6 8.748 -5.918 -0.968 1.00 13.20 C ATOM 76 O LEU A 6 8.146 -5.247 -0.129 1.00 44.20 O ATOM 77 CB LEU A 6 8.775 -8.419 -0.906 1.00 1.10 C ATOM 78 CG LEU A 6 7.845 -9.621 -0.730 1.00 31.40 C ATOM 79 CD1 LEU A 6 6.754 -9.307 0.283 1.00 32.50 C ATOM 80 CD2 LEU A 6 7.236 -10.020 -2.065 1.00 62.30 C ATOM 0 H LEU A 6 8.876 -7.986 -3.332 1.00 21.40 H new ATOM 0 HA LEU A 6 7.062 -7.184 -1.316 1.00 14.20 H new ATOM 0 HB2 LEU A 6 9.624 -8.723 -1.518 1.00 1.10 H new ATOM 0 HB3 LEU A 6 9.170 -8.139 0.070 1.00 1.10 H new ATOM 0 HG LEU A 6 8.431 -10.460 -0.354 1.00 31.40 H new ATOM 0 HD11 LEU A 6 6.102 -10.173 0.396 1.00 32.50 H new ATOM 0 HD12 LEU A 6 7.208 -9.067 1.244 1.00 32.50 H new ATOM 0 HD13 LEU A 6 6.169 -8.455 -0.064 1.00 32.50 H new ATOM 0 HD21 LEU A 6 6.577 -10.876 -1.923 1.00 62.30 H new ATOM 0 HD22 LEU A 6 6.663 -9.185 -2.468 1.00 62.30 H new ATOM 0 HD23 LEU A 6 8.030 -10.285 -2.763 1.00 62.30 H new ATOM 92 N GLN A 7 9.954 -5.595 -1.422 1.00 14.20 N ATOM 93 CA GLN A 7 10.656 -4.407 -0.951 1.00 31.10 C ATOM 94 C GLN A 7 9.989 -3.136 -1.468 1.00 13.20 C ATOM 95 O GLN A 7 10.017 -2.096 -0.809 1.00 53.30 O ATOM 96 CB GLN A 7 12.120 -4.445 -1.395 1.00 3.05 C ATOM 97 CG GLN A 7 13.088 -3.921 -0.347 1.00 31.40 C ATOM 98 CD GLN A 7 13.439 -2.462 -0.556 1.00 15.40 C ATOM 99 OE1 GLN A 7 14.179 -2.116 -1.478 1.00 21.40 O ATOM 100 NE2 GLN A 7 12.912 -1.597 0.301 1.00 43.30 N ATOM 0 H GLN A 7 10.466 -6.140 -2.116 1.00 14.20 H new ATOM 0 HA GLN A 7 10.613 -4.400 0.138 1.00 31.10 H new ATOM 0 HB2 GLN A 7 12.389 -5.471 -1.645 1.00 3.05 H new ATOM 0 HB3 GLN A 7 12.230 -3.856 -2.306 1.00 3.05 H new ATOM 0 HG2 GLN A 7 12.649 -4.047 0.643 1.00 31.40 H new ATOM 0 HG3 GLN A 7 14.000 -4.517 -0.370 1.00 31.40 H new ATOM 0 HE21 GLN A 7 12.304 -1.928 1.050 1.00 43.30 H new ATOM 0 HE22 GLN A 7 13.115 -0.601 0.211 1.00 43.30 H new ATOM 109 N LYS A 8 9.391 -3.226 -2.651 1.00 61.10 N ATOM 110 CA LYS A 8 8.718 -2.081 -3.256 1.00 13.10 C ATOM 111 C LYS A 8 7.474 -1.696 -2.462 1.00 73.00 C ATOM 112 O LYS A 8 7.237 -0.518 -2.193 1.00 73.20 O ATOM 113 CB LYS A 8 8.339 -2.396 -4.707 1.00 22.40 C ATOM 114 CG LYS A 8 9.173 -1.643 -5.729 1.00 21.50 C ATOM 115 CD LYS A 8 9.177 -2.350 -7.074 1.00 14.10 C ATOM 116 CE LYS A 8 9.957 -1.564 -8.115 1.00 35.40 C ATOM 117 NZ LYS A 8 9.085 -0.618 -8.866 1.00 61.50 N ATOM 0 H LYS A 8 9.358 -4.079 -3.210 1.00 61.10 H new ATOM 0 HA LYS A 8 9.407 -1.236 -3.243 1.00 13.10 H new ATOM 0 HB2 LYS A 8 8.449 -3.467 -4.878 1.00 22.40 H new ATOM 0 HB3 LYS A 8 7.287 -2.155 -4.860 1.00 22.40 H new ATOM 0 HG2 LYS A 8 8.780 -0.634 -5.849 1.00 21.50 H new ATOM 0 HG3 LYS A 8 10.196 -1.546 -5.365 1.00 21.50 H new ATOM 0 HD2 LYS A 8 9.614 -3.342 -6.963 1.00 14.10 H new ATOM 0 HD3 LYS A 8 8.151 -2.490 -7.416 1.00 14.10 H new ATOM 0 HE2 LYS A 8 10.758 -1.009 -7.626 1.00 35.40 H new ATOM 0 HE3 LYS A 8 10.429 -2.255 -8.813 1.00 35.40 H new ATOM 0 HZ1 LYS A 8 9.174 -0.799 -9.886 1.00 61.50 H new ATOM 0 HZ2 LYS A 8 8.095 -0.753 -8.576 1.00 61.50 H new ATOM 0 HZ3 LYS A 8 9.376 0.359 -8.661 1.00 61.50 H new ATOM 131 N ALA A 9 6.682 -2.696 -2.089 1.00 30.00 N ATOM 132 CA ALA A 9 5.462 -2.460 -1.326 1.00 73.30 C ATOM 133 C ALA A 9 5.766 -1.778 0.004 1.00 35.30 C ATOM 134 O ALA A 9 4.993 -0.944 0.475 1.00 73.50 O ATOM 135 CB ALA A 9 4.727 -3.772 -1.092 1.00 12.10 C ATOM 0 H ALA A 9 6.863 -3.677 -2.303 1.00 30.00 H new ATOM 0 HA ALA A 9 4.823 -1.794 -1.906 1.00 73.30 H new ATOM 0 HB1 ALA A 9 3.818 -3.583 -0.521 1.00 12.10 H new ATOM 0 HB2 ALA A 9 4.467 -4.219 -2.051 1.00 12.10 H new ATOM 0 HB3 ALA A 9 5.369 -4.455 -0.536 1.00 12.10 H new ATOM 141 N ILE A 10 6.896 -2.138 0.603 1.00 73.00 N ATOM 142 CA ILE A 10 7.300 -1.560 1.880 1.00 4.25 C ATOM 143 C ILE A 10 7.745 -0.111 1.712 1.00 23.30 C ATOM 144 O ILE A 10 7.606 0.700 2.628 1.00 22.40 O ATOM 145 CB ILE A 10 8.447 -2.366 2.522 1.00 3.11 C ATOM 146 CG1 ILE A 10 8.093 -3.854 2.568 1.00 53.30 C ATOM 147 CG2 ILE A 10 8.744 -1.844 3.920 1.00 24.10 C ATOM 148 CD1 ILE A 10 9.303 -4.762 2.597 1.00 55.30 C ATOM 0 H ILE A 10 7.548 -2.826 0.226 1.00 73.00 H new ATOM 0 HA ILE A 10 6.429 -1.596 2.534 1.00 4.25 H new ATOM 0 HB ILE A 10 9.342 -2.244 1.911 1.00 3.11 H new ATOM 0 HG12 ILE A 10 7.483 -4.047 3.450 1.00 53.30 H new ATOM 0 HG13 ILE A 10 7.484 -4.101 1.699 1.00 53.30 H new ATOM 0 HG21 ILE A 10 9.556 -2.423 4.360 1.00 24.10 H new ATOM 0 HG22 ILE A 10 9.036 -0.795 3.862 1.00 24.10 H new ATOM 0 HG23 ILE A 10 7.853 -1.939 4.541 1.00 24.10 H new ATOM 0 HD11 ILE A 10 8.977 -5.802 2.629 1.00 55.30 H new ATOM 0 HD12 ILE A 10 9.903 -4.597 1.702 1.00 55.30 H new ATOM 0 HD13 ILE A 10 9.902 -4.542 3.481 1.00 55.30 H new ATOM 160 N ASP A 11 8.280 0.209 0.539 1.00 43.30 N ATOM 161 CA ASP A 11 8.747 1.562 0.255 1.00 42.20 C ATOM 162 C ASP A 11 7.574 2.500 -0.016 1.00 12.20 C ATOM 163 O ASP A 11 7.653 3.700 0.250 1.00 41.20 O ATOM 164 CB ASP A 11 9.698 1.551 -0.944 1.00 30.40 C ATOM 165 CG ASP A 11 11.032 2.201 -0.630 1.00 31.00 C ATOM 166 OD1 ASP A 11 11.045 3.412 -0.324 1.00 32.40 O ATOM 167 OD2 ASP A 11 12.063 1.498 -0.689 1.00 35.50 O ATOM 0 H ASP A 11 8.401 -0.449 -0.231 1.00 43.30 H new ATOM 0 HA ASP A 11 9.281 1.928 1.132 1.00 42.20 H new ATOM 0 HB2 ASP A 11 9.864 0.522 -1.263 1.00 30.40 H new ATOM 0 HB3 ASP A 11 9.231 2.072 -1.780 1.00 30.40 H new ATOM 172 N LEU A 12 6.488 1.949 -0.548 1.00 33.00 N ATOM 173 CA LEU A 12 5.303 2.740 -0.856 1.00 70.40 C ATOM 174 C LEU A 12 4.514 3.059 0.411 1.00 24.00 C ATOM 175 O LEU A 12 3.856 4.096 0.499 1.00 62.20 O ATOM 176 CB LEU A 12 4.411 1.995 -1.852 1.00 23.40 C ATOM 177 CG LEU A 12 4.723 2.265 -3.326 1.00 30.30 C ATOM 178 CD1 LEU A 12 4.366 3.698 -3.692 1.00 53.10 C ATOM 179 CD2 LEU A 12 6.188 1.987 -3.620 1.00 60.00 C ATOM 0 H LEU A 12 6.404 0.958 -0.775 1.00 33.00 H new ATOM 0 HA LEU A 12 5.631 3.678 -1.303 1.00 70.40 H new ATOM 0 HB2 LEU A 12 4.501 0.925 -1.667 1.00 23.40 H new ATOM 0 HB3 LEU A 12 3.373 2.266 -1.660 1.00 23.40 H new ATOM 0 HG LEU A 12 4.118 1.594 -3.935 1.00 30.30 H new ATOM 0 HD11 LEU A 12 4.594 3.873 -4.743 1.00 53.10 H new ATOM 0 HD12 LEU A 12 3.303 3.864 -3.519 1.00 53.10 H new ATOM 0 HD13 LEU A 12 4.945 4.386 -3.076 1.00 53.10 H new ATOM 0 HD21 LEU A 12 6.392 2.184 -4.672 1.00 60.00 H new ATOM 0 HD22 LEU A 12 6.812 2.633 -3.002 1.00 60.00 H new ATOM 0 HD23 LEU A 12 6.412 0.944 -3.396 1.00 60.00 H new ATOM 191 N VAL A 13 4.581 2.160 1.387 1.00 10.10 N ATOM 192 CA VAL A 13 3.871 2.346 2.647 1.00 41.30 C ATOM 193 C VAL A 13 4.630 3.291 3.573 1.00 3.12 C ATOM 194 O VAL A 13 4.029 3.996 4.383 1.00 63.50 O ATOM 195 CB VAL A 13 3.651 1.004 3.373 1.00 3.41 C ATOM 196 CG1 VAL A 13 2.781 1.198 4.606 1.00 32.10 C ATOM 197 CG2 VAL A 13 3.030 -0.018 2.431 1.00 53.50 C ATOM 0 H VAL A 13 5.120 1.296 1.330 1.00 10.10 H new ATOM 0 HA VAL A 13 2.903 2.781 2.401 1.00 41.30 H new ATOM 0 HB VAL A 13 4.621 0.626 3.697 1.00 3.41 H new ATOM 0 HG11 VAL A 13 2.637 0.239 5.104 1.00 32.10 H new ATOM 0 HG12 VAL A 13 3.269 1.893 5.290 1.00 32.10 H new ATOM 0 HG13 VAL A 13 1.813 1.601 4.308 1.00 32.10 H new ATOM 0 HG21 VAL A 13 2.882 -0.959 2.961 1.00 53.50 H new ATOM 0 HG22 VAL A 13 2.069 0.353 2.075 1.00 53.50 H new ATOM 0 HG23 VAL A 13 3.694 -0.180 1.582 1.00 53.50 H new ATOM 207 N THR A 14 5.953 3.300 3.449 1.00 75.30 N ATOM 208 CA THR A 14 6.793 4.158 4.277 1.00 34.20 C ATOM 209 C THR A 14 6.620 5.625 3.895 1.00 31.20 C ATOM 210 O THR A 14 6.595 6.502 4.757 1.00 23.40 O ATOM 211 CB THR A 14 8.261 3.753 4.141 1.00 74.20 C ATOM 212 OG1 THR A 14 8.415 2.356 4.318 1.00 33.10 O ATOM 213 CG2 THR A 14 9.167 4.443 5.138 1.00 44.40 C ATOM 0 H THR A 14 6.467 2.723 2.783 1.00 75.30 H new ATOM 0 HA THR A 14 6.483 4.034 5.315 1.00 34.20 H new ATOM 0 HB THR A 14 8.552 4.059 3.136 1.00 74.20 H new ATOM 0 HG1 THR A 14 8.181 1.893 3.487 1.00 33.10 H new ATOM 0 HG21 THR A 14 10.194 4.111 4.987 1.00 44.40 H new ATOM 0 HG22 THR A 14 9.110 5.522 4.995 1.00 44.40 H new ATOM 0 HG23 THR A 14 8.850 4.194 6.151 1.00 44.40 H new ATOM 221 N LYS A 15 6.506 5.884 2.597 1.00 33.40 N ATOM 222 CA LYS A 15 6.337 7.245 2.099 1.00 71.10 C ATOM 223 C LYS A 15 4.933 7.766 2.396 1.00 33.30 C ATOM 224 O LYS A 15 4.731 8.969 2.565 1.00 61.40 O ATOM 225 CB LYS A 15 6.607 7.298 0.594 1.00 44.30 C ATOM 226 CG LYS A 15 7.954 7.906 0.239 1.00 55.20 C ATOM 227 CD LYS A 15 9.079 6.890 0.365 1.00 74.50 C ATOM 228 CE LYS A 15 9.927 6.835 -0.895 1.00 70.40 C ATOM 229 NZ LYS A 15 9.315 5.966 -1.939 1.00 2.13 N ATOM 0 H LYS A 15 6.528 5.169 1.870 1.00 33.40 H new ATOM 0 HA LYS A 15 7.056 7.883 2.612 1.00 71.10 H new ATOM 0 HB2 LYS A 15 6.555 6.288 0.188 1.00 44.30 H new ATOM 0 HB3 LYS A 15 5.818 7.876 0.112 1.00 44.30 H new ATOM 0 HG2 LYS A 15 7.923 8.290 -0.781 1.00 55.20 H new ATOM 0 HG3 LYS A 15 8.154 8.754 0.893 1.00 55.20 H new ATOM 0 HD2 LYS A 15 9.708 7.147 1.217 1.00 74.50 H new ATOM 0 HD3 LYS A 15 8.659 5.904 0.565 1.00 74.50 H new ATOM 0 HE2 LYS A 15 10.055 7.843 -1.291 1.00 70.40 H new ATOM 0 HE3 LYS A 15 10.921 6.461 -0.648 1.00 70.40 H new ATOM 0 HZ1 LYS A 15 9.924 5.955 -2.782 1.00 2.13 H new ATOM 0 HZ2 LYS A 15 9.216 4.998 -1.571 1.00 2.13 H new ATOM 0 HZ3 LYS A 15 8.377 6.337 -2.194 1.00 2.13 H new ATOM 243 N ALA A 16 3.968 6.856 2.456 1.00 2.42 N ATOM 244 CA ALA A 16 2.584 7.226 2.730 1.00 21.30 C ATOM 245 C ALA A 16 2.396 7.619 4.190 1.00 22.20 C ATOM 246 O ALA A 16 1.764 8.631 4.494 1.00 45.10 O ATOM 247 CB ALA A 16 1.651 6.080 2.366 1.00 14.30 C ATOM 0 H ALA A 16 4.118 5.856 2.319 1.00 2.42 H new ATOM 0 HA ALA A 16 2.338 8.092 2.116 1.00 21.30 H new ATOM 0 HB1 ALA A 16 0.621 6.369 2.575 1.00 14.30 H new ATOM 0 HB2 ALA A 16 1.755 5.849 1.306 1.00 14.30 H new ATOM 0 HB3 ALA A 16 1.908 5.200 2.956 1.00 14.30 H new ATOM 253 N THR A 17 2.944 6.812 5.093 1.00 45.10 N ATOM 254 CA THR A 17 2.833 7.075 6.523 1.00 64.40 C ATOM 255 C THR A 17 3.434 8.432 6.879 1.00 21.20 C ATOM 256 O THR A 17 2.857 9.192 7.657 1.00 52.50 O ATOM 257 CB THR A 17 3.527 5.972 7.322 1.00 73.30 C ATOM 258 OG1 THR A 17 3.526 6.278 8.706 1.00 23.40 O ATOM 259 CG2 THR A 17 4.963 5.741 6.904 1.00 54.20 C ATOM 0 H THR A 17 3.470 5.970 4.859 1.00 45.10 H new ATOM 0 HA THR A 17 1.774 7.090 6.781 1.00 64.40 H new ATOM 0 HB THR A 17 2.957 5.066 7.117 1.00 73.30 H new ATOM 0 HG1 THR A 17 3.973 5.560 9.200 1.00 23.40 H new ATOM 0 HG21 THR A 17 5.395 4.946 7.511 1.00 54.20 H new ATOM 0 HG22 THR A 17 4.994 5.453 5.853 1.00 54.20 H new ATOM 0 HG23 THR A 17 5.535 6.658 7.046 1.00 54.20 H new ATOM 267 N GLU A 18 4.596 8.728 6.308 1.00 12.40 N ATOM 268 CA GLU A 18 5.276 9.993 6.568 1.00 10.30 C ATOM 269 C GLU A 18 4.496 11.164 5.979 1.00 2.14 C ATOM 270 O GLU A 18 4.422 12.237 6.577 1.00 2.32 O ATOM 271 CB GLU A 18 6.691 9.962 5.989 1.00 71.50 C ATOM 272 CG GLU A 18 6.726 9.762 4.482 1.00 40.20 C ATOM 273 CD GLU A 18 8.139 9.710 3.935 1.00 61.10 C ATOM 274 OE1 GLU A 18 8.807 8.669 4.114 1.00 72.10 O ATOM 275 OE2 GLU A 18 8.577 10.708 3.326 1.00 72.00 O ATOM 0 H GLU A 18 5.087 8.110 5.662 1.00 12.40 H new ATOM 0 HA GLU A 18 5.335 10.130 7.648 1.00 10.30 H new ATOM 0 HB2 GLU A 18 7.196 10.896 6.235 1.00 71.50 H new ATOM 0 HB3 GLU A 18 7.253 9.160 6.467 1.00 71.50 H new ATOM 0 HG2 GLU A 18 6.208 8.837 4.230 1.00 40.20 H new ATOM 0 HG3 GLU A 18 6.182 10.574 3.998 1.00 40.20 H new ATOM 282 N GLU A 19 3.918 10.951 4.802 1.00 62.20 N ATOM 283 CA GLU A 19 3.145 11.991 4.131 1.00 24.40 C ATOM 284 C GLU A 19 1.883 12.328 4.918 1.00 24.00 C ATOM 285 O GLU A 19 1.528 13.497 5.071 1.00 51.30 O ATOM 286 CB GLU A 19 2.773 11.547 2.716 1.00 52.40 C ATOM 287 CG GLU A 19 3.914 11.674 1.719 1.00 50.20 C ATOM 288 CD GLU A 19 4.240 13.116 1.387 1.00 14.30 C ATOM 289 OE1 GLU A 19 4.746 13.831 2.277 1.00 2.42 O ATOM 290 OE2 GLU A 19 3.986 13.533 0.237 1.00 54.30 O ATOM 0 H GLU A 19 3.970 10.069 4.293 1.00 62.20 H new ATOM 0 HA GLU A 19 3.764 12.886 4.073 1.00 24.40 H new ATOM 0 HB2 GLU A 19 2.441 10.509 2.745 1.00 52.40 H new ATOM 0 HB3 GLU A 19 1.929 12.142 2.367 1.00 52.40 H new ATOM 0 HG2 GLU A 19 4.802 11.189 2.125 1.00 50.20 H new ATOM 0 HG3 GLU A 19 3.652 11.144 0.803 1.00 50.20 H new ATOM 297 N ASP A 20 1.208 11.296 5.417 1.00 12.40 N ATOM 298 CA ASP A 20 -0.017 11.483 6.188 1.00 71.40 C ATOM 299 C ASP A 20 0.209 12.447 7.350 1.00 72.10 C ATOM 300 O ASP A 20 -0.681 13.213 7.716 1.00 12.40 O ATOM 301 CB ASP A 20 -0.522 10.139 6.717 1.00 24.10 C ATOM 302 CG ASP A 20 -2.032 10.101 6.851 1.00 64.00 C ATOM 303 OD1 ASP A 20 -2.724 10.377 5.849 1.00 71.10 O ATOM 304 OD2 ASP A 20 -2.522 9.797 7.960 1.00 12.40 O ATOM 0 H ASP A 20 1.489 10.322 5.301 1.00 12.40 H new ATOM 0 HA ASP A 20 -0.769 11.912 5.526 1.00 71.40 H new ATOM 0 HB2 ASP A 20 -0.199 9.343 6.046 1.00 24.10 H new ATOM 0 HB3 ASP A 20 -0.069 9.940 7.688 1.00 24.10 H new ATOM 309 N LYS A 21 1.407 12.401 7.923 1.00 75.20 N ATOM 310 CA LYS A 21 1.751 13.271 9.042 1.00 10.00 C ATOM 311 C LYS A 21 2.004 14.701 8.569 1.00 71.30 C ATOM 312 O LYS A 21 1.890 15.649 9.346 1.00 45.40 O ATOM 313 CB LYS A 21 2.987 12.736 9.768 1.00 23.20 C ATOM 314 CG LYS A 21 2.663 11.730 10.861 1.00 25.30 C ATOM 315 CD LYS A 21 3.533 10.487 10.755 1.00 60.40 C ATOM 316 CE LYS A 21 4.022 10.031 12.120 1.00 11.10 C ATOM 317 NZ LYS A 21 5.085 10.925 12.656 1.00 2.14 N ATOM 0 H LYS A 21 2.155 11.772 7.632 1.00 75.20 H new ATOM 0 HA LYS A 21 0.907 13.282 9.731 1.00 10.00 H new ATOM 0 HB2 LYS A 21 3.651 12.269 9.041 1.00 23.20 H new ATOM 0 HB3 LYS A 21 3.532 13.573 10.206 1.00 23.20 H new ATOM 0 HG2 LYS A 21 2.807 12.193 11.837 1.00 25.30 H new ATOM 0 HG3 LYS A 21 1.613 11.446 10.795 1.00 25.30 H new ATOM 0 HD2 LYS A 21 2.966 9.684 10.284 1.00 60.40 H new ATOM 0 HD3 LYS A 21 4.388 10.694 10.112 1.00 60.40 H new ATOM 0 HE2 LYS A 21 3.184 10.006 12.816 1.00 11.10 H new ATOM 0 HE3 LYS A 21 4.406 9.014 12.047 1.00 11.10 H new ATOM 0 HZ1 LYS A 21 5.498 10.500 13.511 1.00 2.14 H new ATOM 0 HZ2 LYS A 21 5.827 11.051 11.939 1.00 2.14 H new ATOM 0 HZ3 LYS A 21 4.673 11.850 12.894 1.00 2.14 H new ATOM 331 N ALA A 22 2.350 14.850 7.293 1.00 72.40 N ATOM 332 CA ALA A 22 2.621 16.165 6.725 1.00 42.20 C ATOM 333 C ALA A 22 1.392 16.731 6.018 1.00 22.10 C ATOM 334 O ALA A 22 1.513 17.540 5.098 1.00 65.30 O ATOM 335 CB ALA A 22 3.796 16.090 5.761 1.00 73.30 C ATOM 0 H ALA A 22 2.449 14.077 6.635 1.00 72.40 H new ATOM 0 HA ALA A 22 2.875 16.838 7.544 1.00 42.20 H new ATOM 0 HB1 ALA A 22 3.988 17.079 5.344 1.00 73.30 H new ATOM 0 HB2 ALA A 22 4.682 15.742 6.293 1.00 73.30 H new ATOM 0 HB3 ALA A 22 3.561 15.395 4.955 1.00 73.30 H new ATOM 341 N LYS A 23 0.210 16.304 6.454 1.00 11.10 N ATOM 342 CA LYS A 23 -1.038 16.774 5.862 1.00 33.10 C ATOM 343 C LYS A 23 -1.067 16.505 4.359 1.00 62.10 C ATOM 344 O LYS A 23 -1.584 17.310 3.584 1.00 14.20 O ATOM 345 CB LYS A 23 -1.220 18.270 6.131 1.00 10.10 C ATOM 346 CG LYS A 23 -2.049 18.568 7.369 1.00 2.51 C ATOM 347 CD LYS A 23 -1.184 18.634 8.617 1.00 13.30 C ATOM 348 CE LYS A 23 -2.024 18.551 9.882 1.00 22.10 C ATOM 349 NZ LYS A 23 -2.329 19.898 10.436 1.00 1.32 N ATOM 0 H LYS A 23 0.091 15.634 7.214 1.00 11.10 H new ATOM 0 HA LYS A 23 -1.859 16.226 6.323 1.00 33.10 H new ATOM 0 HB2 LYS A 23 -0.239 18.733 6.240 1.00 10.10 H new ATOM 0 HB3 LYS A 23 -1.696 18.731 5.265 1.00 10.10 H new ATOM 0 HG2 LYS A 23 -2.573 19.515 7.238 1.00 2.51 H new ATOM 0 HG3 LYS A 23 -2.810 17.797 7.493 1.00 2.51 H new ATOM 0 HD2 LYS A 23 -0.462 17.818 8.604 1.00 13.30 H new ATOM 0 HD3 LYS A 23 -0.614 19.563 8.617 1.00 13.30 H new ATOM 0 HE2 LYS A 23 -2.956 18.028 9.665 1.00 22.10 H new ATOM 0 HE3 LYS A 23 -1.495 17.962 10.631 1.00 22.10 H new ATOM 0 HZ1 LYS A 23 -2.903 19.797 11.297 1.00 1.32 H new ATOM 0 HZ2 LYS A 23 -1.441 20.388 10.667 1.00 1.32 H new ATOM 0 HZ3 LYS A 23 -2.857 20.452 9.731 1.00 1.32 H new ATOM 363 N ASN A 24 -0.511 15.368 3.955 1.00 13.20 N ATOM 364 CA ASN A 24 -0.473 14.994 2.545 1.00 14.10 C ATOM 365 C ASN A 24 -1.417 13.826 2.269 1.00 30.10 C ATOM 366 O ASN A 24 -1.050 12.864 1.594 1.00 54.10 O ATOM 367 CB ASN A 24 0.952 14.627 2.129 1.00 14.20 C ATOM 368 CG ASN A 24 1.802 15.849 1.838 1.00 12.10 C ATOM 369 OD1 ASN A 24 2.174 16.024 0.577 1.00 62.10 O flip ATOM 370 ND2 ASN A 24 2.117 16.627 2.738 1.00 54.20 N flip ATOM 0 H ASN A 24 -0.081 14.689 4.583 1.00 13.20 H new ATOM 0 HA ASN A 24 -0.802 15.851 1.957 1.00 14.10 H new ATOM 0 HB2 ASN A 24 1.420 14.043 2.921 1.00 14.20 H new ATOM 0 HB3 ASN A 24 0.917 13.993 1.243 1.00 14.20 H new ATOM 0 HD21 ASN A 24 1.808 16.453 3.694 1.00 54.20 H new ATOM 0 HD22 ASN A 24 2.687 17.446 2.528 1.00 54.20 H new ATOM 377 N TYR A 25 -2.634 13.919 2.796 1.00 71.30 N ATOM 378 CA TYR A 25 -3.634 12.871 2.610 1.00 1.00 C ATOM 379 C TYR A 25 -3.794 12.519 1.133 1.00 53.10 C ATOM 380 O TYR A 25 -4.031 11.363 0.783 1.00 23.40 O ATOM 381 CB TYR A 25 -4.979 13.315 3.188 1.00 21.20 C ATOM 382 CG TYR A 25 -4.995 13.389 4.698 1.00 31.10 C ATOM 383 CD1 TYR A 25 -4.492 14.500 5.364 1.00 43.10 C ATOM 384 CD2 TYR A 25 -5.513 12.347 5.458 1.00 23.40 C ATOM 385 CE1 TYR A 25 -4.505 14.571 6.744 1.00 65.30 C ATOM 386 CE2 TYR A 25 -5.530 12.412 6.839 1.00 53.30 C ATOM 387 CZ TYR A 25 -5.025 13.525 7.477 1.00 42.40 C ATOM 388 OH TYR A 25 -5.039 13.592 8.850 1.00 75.00 O ATOM 0 H TYR A 25 -2.952 14.710 3.356 1.00 71.30 H new ATOM 0 HA TYR A 25 -3.292 11.982 3.139 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -5.234 14.294 2.782 1.00 21.20 H new ATOM 0 HB3 TYR A 25 -5.753 12.622 2.858 1.00 21.20 H new ATOM 0 HD1 TYR A 25 -4.084 15.322 4.794 1.00 43.10 H new ATOM 0 HD2 TYR A 25 -5.908 11.473 4.962 1.00 23.40 H new ATOM 0 HE1 TYR A 25 -4.110 15.442 7.246 1.00 65.30 H new ATOM 0 HE2 TYR A 25 -5.937 11.594 7.415 1.00 53.30 H new ATOM 0 HH TYR A 25 -5.440 12.775 9.213 1.00 75.00 H new ATOM 398 N GLU A 26 -3.665 13.524 0.272 1.00 43.20 N ATOM 399 CA GLU A 26 -3.795 13.317 -1.166 1.00 70.40 C ATOM 400 C GLU A 26 -2.650 12.463 -1.698 1.00 62.10 C ATOM 401 O GLU A 26 -2.853 11.587 -2.538 1.00 53.50 O ATOM 402 CB GLU A 26 -3.826 14.662 -1.895 1.00 71.20 C ATOM 403 CG GLU A 26 -2.614 15.534 -1.615 1.00 22.40 C ATOM 404 CD GLU A 26 -1.545 15.408 -2.682 1.00 1.01 C ATOM 405 OE1 GLU A 26 -1.899 15.400 -3.880 1.00 14.40 O ATOM 406 OE2 GLU A 26 -0.352 15.317 -2.321 1.00 34.00 O ATOM 0 H GLU A 26 -3.471 14.488 0.544 1.00 43.20 H new ATOM 0 HA GLU A 26 -4.732 12.791 -1.349 1.00 70.40 H new ATOM 0 HB2 GLU A 26 -3.894 14.483 -2.968 1.00 71.20 H new ATOM 0 HB3 GLU A 26 -4.727 15.202 -1.605 1.00 71.20 H new ATOM 0 HG2 GLU A 26 -2.929 16.575 -1.543 1.00 22.40 H new ATOM 0 HG3 GLU A 26 -2.191 15.262 -0.648 1.00 22.40 H new ATOM 413 N GLU A 27 -1.445 12.723 -1.202 1.00 4.42 N ATOM 414 CA GLU A 27 -0.266 11.978 -1.626 1.00 52.20 C ATOM 415 C GLU A 27 -0.277 10.565 -1.050 1.00 70.40 C ATOM 416 O GLU A 27 0.217 9.626 -1.674 1.00 41.40 O ATOM 417 CB GLU A 27 1.007 12.707 -1.192 1.00 74.40 C ATOM 418 CG GLU A 27 2.169 12.530 -2.154 1.00 5.11 C ATOM 419 CD GLU A 27 2.322 13.700 -3.106 1.00 54.00 C ATOM 420 OE1 GLU A 27 2.828 14.756 -2.672 1.00 54.00 O ATOM 421 OE2 GLU A 27 1.936 13.560 -4.286 1.00 11.20 O ATOM 0 H GLU A 27 -1.259 13.445 -0.505 1.00 4.42 H new ATOM 0 HA GLU A 27 -0.284 11.908 -2.714 1.00 52.20 H new ATOM 0 HB2 GLU A 27 0.790 13.770 -1.090 1.00 74.40 H new ATOM 0 HB3 GLU A 27 1.304 12.347 -0.207 1.00 74.40 H new ATOM 0 HG2 GLU A 27 3.091 12.406 -1.585 1.00 5.11 H new ATOM 0 HG3 GLU A 27 2.024 11.615 -2.729 1.00 5.11 H new ATOM 428 N ALA A 28 -0.844 10.424 0.143 1.00 73.30 N ATOM 429 CA ALA A 28 -0.920 9.126 0.803 1.00 61.30 C ATOM 430 C ALA A 28 -1.843 8.177 0.047 1.00 64.30 C ATOM 431 O ALA A 28 -1.591 6.973 -0.022 1.00 4.32 O ATOM 432 CB ALA A 28 -1.395 9.292 2.239 1.00 61.50 C ATOM 0 H ALA A 28 -1.257 11.192 0.672 1.00 73.30 H new ATOM 0 HA ALA A 28 0.079 8.691 0.809 1.00 61.30 H new ATOM 0 HB1 ALA A 28 -1.447 8.315 2.720 1.00 61.50 H new ATOM 0 HB2 ALA A 28 -0.696 9.927 2.782 1.00 61.50 H new ATOM 0 HB3 ALA A 28 -2.383 9.752 2.245 1.00 61.50 H new ATOM 438 N LEU A 29 -2.913 8.725 -0.521 1.00 24.30 N ATOM 439 CA LEU A 29 -3.872 7.926 -1.272 1.00 42.30 C ATOM 440 C LEU A 29 -3.203 7.248 -2.463 1.00 41.30 C ATOM 441 O LEU A 29 -3.372 6.049 -2.683 1.00 43.30 O ATOM 442 CB LEU A 29 -5.031 8.802 -1.754 1.00 22.10 C ATOM 443 CG LEU A 29 -6.281 8.036 -2.192 1.00 73.50 C ATOM 444 CD1 LEU A 29 -7.256 7.899 -1.031 1.00 11.20 C ATOM 445 CD2 LEU A 29 -6.949 8.732 -3.368 1.00 54.20 C ATOM 0 H LEU A 29 -3.137 9.719 -0.475 1.00 24.30 H new ATOM 0 HA LEU A 29 -4.260 7.153 -0.609 1.00 42.30 H new ATOM 0 HB2 LEU A 29 -5.306 9.488 -0.953 1.00 22.10 H new ATOM 0 HB3 LEU A 29 -4.684 9.410 -2.590 1.00 22.10 H new ATOM 0 HG LEU A 29 -5.979 7.038 -2.509 1.00 73.50 H new ATOM 0 HD11 LEU A 29 -8.139 7.352 -1.360 1.00 11.20 H new ATOM 0 HD12 LEU A 29 -6.777 7.358 -0.215 1.00 11.20 H new ATOM 0 HD13 LEU A 29 -7.551 8.890 -0.685 1.00 11.20 H new ATOM 0 HD21 LEU A 29 -7.836 8.173 -3.666 1.00 54.20 H new ATOM 0 HD22 LEU A 29 -7.237 9.742 -3.077 1.00 54.20 H new ATOM 0 HD23 LEU A 29 -6.253 8.781 -4.205 1.00 54.20 H new ATOM 457 N ARG A 30 -2.442 8.023 -3.229 1.00 74.10 N ATOM 458 CA ARG A 30 -1.745 7.498 -4.398 1.00 10.50 C ATOM 459 C ARG A 30 -0.596 6.585 -3.984 1.00 50.40 C ATOM 460 O ARG A 30 -0.290 5.608 -4.668 1.00 23.40 O ATOM 461 CB ARG A 30 -1.216 8.646 -5.259 1.00 13.30 C ATOM 462 CG ARG A 30 -2.253 9.228 -6.204 1.00 43.20 C ATOM 463 CD ARG A 30 -3.159 10.219 -5.494 1.00 12.50 C ATOM 464 NE ARG A 30 -4.424 10.411 -6.201 1.00 14.20 N ATOM 465 CZ ARG A 30 -5.512 10.938 -5.646 1.00 61.20 C ATOM 466 NH1 ARG A 30 -5.495 11.327 -4.377 1.00 53.40 N ATOM 467 NH2 ARG A 30 -6.620 11.077 -6.360 1.00 14.30 N ATOM 0 H ARG A 30 -2.292 9.018 -3.061 1.00 74.10 H new ATOM 0 HA ARG A 30 -2.456 6.913 -4.981 1.00 10.50 H new ATOM 0 HB2 ARG A 30 -0.847 9.437 -4.607 1.00 13.30 H new ATOM 0 HB3 ARG A 30 -0.366 8.290 -5.841 1.00 13.30 H new ATOM 0 HG2 ARG A 30 -1.752 9.723 -7.036 1.00 43.20 H new ATOM 0 HG3 ARG A 30 -2.854 8.423 -6.627 1.00 43.20 H new ATOM 0 HD2 ARG A 30 -3.359 9.866 -4.482 1.00 12.50 H new ATOM 0 HD3 ARG A 30 -2.647 11.177 -5.402 1.00 12.50 H new ATOM 0 HE ARG A 30 -4.475 10.124 -7.178 1.00 14.20 H new ATOM 0 HH11 ARG A 30 -4.645 11.222 -3.823 1.00 53.40 H new ATOM 0 HH12 ARG A 30 -6.332 11.731 -3.956 1.00 53.40 H new ATOM 0 HH21 ARG A 30 -6.639 10.780 -7.336 1.00 14.30 H new ATOM 0 HH22 ARG A 30 -7.454 11.481 -5.934 1.00 14.30 H new ATOM 481 N LEU A 31 0.038 6.910 -2.862 1.00 33.20 N ATOM 482 CA LEU A 31 1.154 6.119 -2.359 1.00 35.40 C ATOM 483 C LEU A 31 0.672 4.772 -1.825 1.00 4.35 C ATOM 484 O LEU A 31 1.317 3.744 -2.033 1.00 51.00 O ATOM 485 CB LEU A 31 1.892 6.884 -1.258 1.00 62.00 C ATOM 486 CG LEU A 31 3.099 7.697 -1.730 1.00 2.53 C ATOM 487 CD1 LEU A 31 4.189 6.777 -2.256 1.00 1.45 C ATOM 488 CD2 LEU A 31 2.682 8.698 -2.798 1.00 32.10 C ATOM 0 H LEU A 31 -0.202 7.716 -2.284 1.00 33.20 H new ATOM 0 HA LEU A 31 1.839 5.935 -3.187 1.00 35.40 H new ATOM 0 HB2 LEU A 31 1.188 7.558 -0.771 1.00 62.00 H new ATOM 0 HB3 LEU A 31 2.226 6.172 -0.503 1.00 62.00 H new ATOM 0 HG LEU A 31 3.497 8.249 -0.879 1.00 2.53 H new ATOM 0 HD11 LEU A 31 5.040 7.373 -2.587 1.00 1.45 H new ATOM 0 HD12 LEU A 31 4.507 6.100 -1.464 1.00 1.45 H new ATOM 0 HD13 LEU A 31 3.803 6.198 -3.095 1.00 1.45 H new ATOM 0 HD21 LEU A 31 3.553 9.268 -3.122 1.00 32.10 H new ATOM 0 HD22 LEU A 31 2.259 8.166 -3.650 1.00 32.10 H new ATOM 0 HD23 LEU A 31 1.936 9.378 -2.388 1.00 32.10 H new ATOM 500 N TYR A 32 -0.464 4.786 -1.137 1.00 71.50 N ATOM 501 CA TYR A 32 -1.031 3.566 -0.573 1.00 45.20 C ATOM 502 C TYR A 32 -1.553 2.647 -1.674 1.00 14.00 C ATOM 503 O TYR A 32 -1.290 1.445 -1.669 1.00 52.40 O ATOM 504 CB TYR A 32 -2.160 3.909 0.402 1.00 64.00 C ATOM 505 CG TYR A 32 -1.742 3.859 1.854 1.00 41.00 C ATOM 506 CD1 TYR A 32 -1.281 2.679 2.424 1.00 50.10 C ATOM 507 CD2 TYR A 32 -1.807 4.993 2.656 1.00 2.04 C ATOM 508 CE1 TYR A 32 -0.898 2.629 3.751 1.00 1.04 C ATOM 509 CE2 TYR A 32 -1.425 4.950 3.983 1.00 4.32 C ATOM 510 CZ TYR A 32 -0.971 3.766 4.526 1.00 44.00 C ATOM 511 OH TYR A 32 -0.592 3.720 5.847 1.00 10.20 O ATOM 0 H TYR A 32 -1.011 5.628 -0.956 1.00 71.50 H new ATOM 0 HA TYR A 32 -0.241 3.042 -0.035 1.00 45.20 H new ATOM 0 HB2 TYR A 32 -2.534 4.907 0.175 1.00 64.00 H new ATOM 0 HB3 TYR A 32 -2.986 3.215 0.246 1.00 64.00 H new ATOM 0 HD1 TYR A 32 -1.221 1.786 1.820 1.00 50.10 H new ATOM 0 HD2 TYR A 32 -2.162 5.922 2.235 1.00 2.04 H new ATOM 0 HE1 TYR A 32 -0.543 1.703 4.179 1.00 1.04 H new ATOM 0 HE2 TYR A 32 -1.482 5.840 4.593 1.00 4.32 H new ATOM 0 HH TYR A 32 -0.704 4.606 6.250 1.00 10.20 H new ATOM 521 N GLN A 33 -2.295 3.221 -2.615 1.00 33.50 N ATOM 522 CA GLN A 33 -2.855 2.454 -3.722 1.00 71.50 C ATOM 523 C GLN A 33 -1.753 1.780 -4.534 1.00 0.34 C ATOM 524 O GLN A 33 -1.951 0.705 -5.097 1.00 23.40 O ATOM 525 CB GLN A 33 -3.688 3.362 -4.628 1.00 31.20 C ATOM 526 CG GLN A 33 -5.122 3.544 -4.156 1.00 14.30 C ATOM 527 CD GLN A 33 -6.082 3.812 -5.299 1.00 60.10 C ATOM 528 OE1 GLN A 33 -7.070 3.098 -5.476 1.00 14.40 O ATOM 529 NE2 GLN A 33 -5.796 4.845 -6.083 1.00 33.10 N ATOM 0 H GLN A 33 -2.523 4.215 -2.633 1.00 33.50 H new ATOM 0 HA GLN A 33 -3.497 1.679 -3.304 1.00 71.50 H new ATOM 0 HB2 GLN A 33 -3.208 4.339 -4.690 1.00 31.20 H new ATOM 0 HB3 GLN A 33 -3.696 2.947 -5.636 1.00 31.20 H new ATOM 0 HG2 GLN A 33 -5.441 2.650 -3.621 1.00 14.30 H new ATOM 0 HG3 GLN A 33 -5.165 4.372 -3.448 1.00 14.30 H new ATOM 0 HE21 GLN A 33 -4.967 5.410 -5.900 1.00 33.10 H new ATOM 0 HE22 GLN A 33 -6.406 5.073 -6.868 1.00 33.10 H new ATOM 538 N HIS A 34 -0.590 2.424 -4.593 1.00 3.14 N ATOM 539 CA HIS A 34 0.543 1.888 -5.339 1.00 24.30 C ATOM 540 C HIS A 34 1.113 0.649 -4.654 1.00 73.40 C ATOM 541 O HIS A 34 1.532 -0.300 -5.316 1.00 23.00 O ATOM 542 CB HIS A 34 1.634 2.951 -5.482 1.00 31.20 C ATOM 543 CG HIS A 34 1.491 3.793 -6.711 1.00 50.40 C ATOM 544 ND1 HIS A 34 2.540 4.059 -7.567 1.00 23.20 N ATOM 545 CD2 HIS A 34 0.415 4.431 -7.229 1.00 72.40 C ATOM 546 CE1 HIS A 34 2.114 4.825 -8.556 1.00 2.52 C ATOM 547 NE2 HIS A 34 0.828 5.063 -8.376 1.00 74.30 N ATOM 0 H HIS A 34 -0.409 3.316 -4.134 1.00 3.14 H new ATOM 0 HA HIS A 34 0.189 1.602 -6.329 1.00 24.30 H new ATOM 0 HB2 HIS A 34 1.617 3.597 -4.605 1.00 31.20 H new ATOM 0 HB3 HIS A 34 2.607 2.461 -5.498 1.00 31.20 H new ATOM 0 HD2 HIS A 34 -0.583 4.441 -6.817 1.00 72.40 H new ATOM 0 HE1 HIS A 34 2.716 5.194 -9.373 1.00 2.52 H new ATOM 0 HE2 HIS A 34 0.237 5.625 -8.989 1.00 74.30 H new ATOM 556 N ALA A 35 1.128 0.667 -3.326 1.00 45.10 N ATOM 557 CA ALA A 35 1.647 -0.455 -2.552 1.00 24.40 C ATOM 558 C ALA A 35 0.758 -1.685 -2.698 1.00 62.10 C ATOM 559 O ALA A 35 1.248 -2.809 -2.806 1.00 70.30 O ATOM 560 CB ALA A 35 1.780 -0.068 -1.087 1.00 41.30 C ATOM 0 H ALA A 35 0.787 1.446 -2.763 1.00 45.10 H new ATOM 0 HA ALA A 35 2.633 -0.706 -2.942 1.00 24.40 H new ATOM 0 HB1 ALA A 35 2.168 -0.915 -0.521 1.00 41.30 H new ATOM 0 HB2 ALA A 35 2.464 0.775 -0.994 1.00 41.30 H new ATOM 0 HB3 ALA A 35 0.803 0.213 -0.695 1.00 41.30 H new ATOM 566 N VAL A 36 -0.553 -1.465 -2.699 1.00 54.10 N ATOM 567 CA VAL A 36 -1.512 -2.555 -2.828 1.00 44.30 C ATOM 568 C VAL A 36 -1.318 -3.308 -4.140 1.00 72.20 C ATOM 569 O VAL A 36 -1.366 -4.538 -4.175 1.00 21.40 O ATOM 570 CB VAL A 36 -2.962 -2.041 -2.757 1.00 63.40 C ATOM 571 CG1 VAL A 36 -3.939 -3.204 -2.693 1.00 2.11 C ATOM 572 CG2 VAL A 36 -3.142 -1.116 -1.563 1.00 14.20 C ATOM 0 H VAL A 36 -0.975 -0.541 -2.612 1.00 54.10 H new ATOM 0 HA VAL A 36 -1.332 -3.232 -1.993 1.00 44.30 H new ATOM 0 HB VAL A 36 -3.171 -1.472 -3.663 1.00 63.40 H new ATOM 0 HG11 VAL A 36 -4.958 -2.821 -2.643 1.00 2.11 H new ATOM 0 HG12 VAL A 36 -3.827 -3.823 -3.583 1.00 2.11 H new ATOM 0 HG13 VAL A 36 -3.733 -3.804 -1.806 1.00 2.11 H new ATOM 0 HG21 VAL A 36 -4.172 -0.762 -1.529 1.00 14.20 H new ATOM 0 HG22 VAL A 36 -2.914 -1.658 -0.645 1.00 14.20 H new ATOM 0 HG23 VAL A 36 -2.469 -0.264 -1.658 1.00 14.20 H new ATOM 582 N GLU A 37 -1.099 -2.563 -5.219 1.00 50.10 N ATOM 583 CA GLU A 37 -0.898 -3.161 -6.534 1.00 55.40 C ATOM 584 C GLU A 37 0.314 -4.086 -6.536 1.00 45.10 C ATOM 585 O GLU A 37 0.243 -5.218 -7.017 1.00 24.20 O ATOM 586 CB GLU A 37 -0.721 -2.068 -7.591 1.00 35.50 C ATOM 587 CG GLU A 37 -1.977 -1.249 -7.836 1.00 14.20 C ATOM 588 CD GLU A 37 -2.753 -1.721 -9.050 1.00 31.10 C ATOM 589 OE1 GLU A 37 -2.944 -2.948 -9.192 1.00 61.30 O ATOM 590 OE2 GLU A 37 -3.169 -0.866 -9.859 1.00 63.00 O ATOM 0 H GLU A 37 -1.056 -1.544 -5.208 1.00 50.10 H new ATOM 0 HA GLU A 37 -1.782 -3.753 -6.774 1.00 55.40 H new ATOM 0 HB2 GLU A 37 0.083 -1.401 -7.280 1.00 35.50 H new ATOM 0 HB3 GLU A 37 -0.409 -2.528 -8.529 1.00 35.50 H new ATOM 0 HG2 GLU A 37 -2.618 -1.302 -6.956 1.00 14.20 H new ATOM 0 HG3 GLU A 37 -1.704 -0.202 -7.968 1.00 14.20 H new ATOM 597 N TYR A 38 1.426 -3.599 -5.996 1.00 5.40 N ATOM 598 CA TYR A 38 2.655 -4.381 -5.938 1.00 21.20 C ATOM 599 C TYR A 38 2.457 -5.652 -5.116 1.00 11.30 C ATOM 600 O TYR A 38 2.971 -6.714 -5.465 1.00 74.50 O ATOM 601 CB TYR A 38 3.787 -3.546 -5.338 1.00 1.43 C ATOM 602 CG TYR A 38 4.415 -2.582 -6.318 1.00 13.30 C ATOM 603 CD1 TYR A 38 5.144 -3.044 -7.407 1.00 72.10 C ATOM 604 CD2 TYR A 38 4.281 -1.209 -6.154 1.00 14.00 C ATOM 605 CE1 TYR A 38 5.720 -2.167 -8.305 1.00 3.41 C ATOM 606 CE2 TYR A 38 4.854 -0.324 -7.048 1.00 24.00 C ATOM 607 CZ TYR A 38 5.573 -0.808 -8.121 1.00 64.10 C ATOM 608 OH TYR A 38 6.146 0.069 -9.012 1.00 33.10 O ATOM 0 H TYR A 38 1.501 -2.665 -5.592 1.00 5.40 H new ATOM 0 HA TYR A 38 2.921 -4.666 -6.956 1.00 21.20 H new ATOM 0 HB2 TYR A 38 3.401 -2.985 -4.487 1.00 1.43 H new ATOM 0 HB3 TYR A 38 4.558 -4.216 -4.956 1.00 1.43 H new ATOM 0 HD1 TYR A 38 5.262 -4.107 -7.554 1.00 72.10 H new ATOM 0 HD2 TYR A 38 3.720 -0.827 -5.314 1.00 14.00 H new ATOM 0 HE1 TYR A 38 6.282 -2.543 -9.147 1.00 3.41 H new ATOM 0 HE2 TYR A 38 4.739 0.741 -6.907 1.00 24.00 H new ATOM 0 HH TYR A 38 5.947 0.989 -8.739 1.00 33.10 H new ATOM 618 N PHE A 39 1.711 -5.534 -4.022 1.00 42.40 N ATOM 619 CA PHE A 39 1.449 -6.673 -3.149 1.00 60.20 C ATOM 620 C PHE A 39 0.715 -7.780 -3.901 1.00 51.30 C ATOM 621 O PHE A 39 1.145 -8.933 -3.904 1.00 51.10 O ATOM 622 CB PHE A 39 0.628 -6.233 -1.936 1.00 71.20 C ATOM 623 CG PHE A 39 1.467 -5.844 -0.752 1.00 1.53 C ATOM 624 CD1 PHE A 39 2.446 -6.697 -0.268 1.00 0.05 C ATOM 625 CD2 PHE A 39 1.277 -4.623 -0.124 1.00 2.13 C ATOM 626 CE1 PHE A 39 3.220 -6.340 0.820 1.00 2.31 C ATOM 627 CE2 PHE A 39 2.048 -4.261 0.965 1.00 43.30 C ATOM 628 CZ PHE A 39 3.020 -5.121 1.438 1.00 71.30 C ATOM 0 H PHE A 39 1.278 -4.662 -3.719 1.00 42.40 H new ATOM 0 HA PHE A 39 2.407 -7.065 -2.808 1.00 60.20 H new ATOM 0 HB2 PHE A 39 0.000 -5.388 -2.219 1.00 71.20 H new ATOM 0 HB3 PHE A 39 -0.041 -7.044 -1.647 1.00 71.20 H new ATOM 0 HD1 PHE A 39 2.606 -7.652 -0.747 1.00 0.05 H new ATOM 0 HD2 PHE A 39 0.518 -3.947 -0.489 1.00 2.13 H new ATOM 0 HE1 PHE A 39 3.980 -7.014 1.187 1.00 2.31 H new ATOM 0 HE2 PHE A 39 1.890 -3.307 1.445 1.00 43.30 H new ATOM 0 HZ PHE A 39 3.622 -4.841 2.289 1.00 71.30 H new ATOM 638 N LEU A 40 -0.397 -7.420 -4.535 1.00 41.10 N ATOM 639 CA LEU A 40 -1.193 -8.384 -5.288 1.00 32.50 C ATOM 640 C LEU A 40 -0.369 -9.019 -6.405 1.00 15.20 C ATOM 641 O LEU A 40 -0.392 -10.230 -6.591 1.00 2.25 O ATOM 642 CB LEU A 40 -2.432 -7.705 -5.876 1.00 1.44 C ATOM 643 CG LEU A 40 -3.660 -7.696 -4.962 1.00 51.30 C ATOM 644 CD1 LEU A 40 -3.705 -6.416 -4.142 1.00 30.10 C ATOM 645 CD2 LEU A 40 -4.934 -7.853 -5.780 1.00 34.20 C ATOM 0 H LEU A 40 -0.767 -6.469 -4.542 1.00 41.10 H new ATOM 0 HA LEU A 40 -1.508 -9.171 -4.602 1.00 32.50 H new ATOM 0 HB2 LEU A 40 -2.178 -6.675 -6.129 1.00 1.44 H new ATOM 0 HB3 LEU A 40 -2.695 -8.206 -6.808 1.00 1.44 H new ATOM 0 HG LEU A 40 -3.586 -8.540 -4.276 1.00 51.30 H new ATOM 0 HD11 LEU A 40 -4.584 -6.427 -3.498 1.00 30.10 H new ATOM 0 HD12 LEU A 40 -2.807 -6.345 -3.528 1.00 30.10 H new ATOM 0 HD13 LEU A 40 -3.756 -5.557 -4.811 1.00 30.10 H new ATOM 0 HD21 LEU A 40 -5.797 -7.845 -5.114 1.00 34.20 H new ATOM 0 HD22 LEU A 40 -5.015 -7.029 -6.489 1.00 34.20 H new ATOM 0 HD23 LEU A 40 -4.904 -8.798 -6.323 1.00 34.20 H new ATOM 657 N HIS A 41 0.357 -8.188 -7.145 1.00 43.40 N ATOM 658 CA HIS A 41 1.187 -8.669 -8.244 1.00 43.40 C ATOM 659 C HIS A 41 2.250 -9.642 -7.741 1.00 12.10 C ATOM 660 O HIS A 41 2.662 -10.550 -8.461 1.00 73.10 O ATOM 661 CB HIS A 41 1.853 -7.495 -8.961 1.00 44.40 C ATOM 662 CG HIS A 41 2.356 -7.836 -10.320 1.00 14.50 C ATOM 663 ND1 HIS A 41 1.931 -7.188 -11.470 1.00 42.20 N ATOM 664 CD2 HIS A 41 3.253 -8.764 -10.730 1.00 13.30 C ATOM 665 CE1 HIS A 41 2.545 -7.703 -12.520 1.00 12.50 C ATOM 666 NE2 HIS A 41 3.352 -8.660 -12.100 1.00 25.30 N ATOM 0 H HIS A 41 0.388 -7.178 -7.004 1.00 43.40 H new ATOM 0 HA HIS A 41 0.542 -9.196 -8.947 1.00 43.40 H new ATOM 0 HB2 HIS A 41 1.138 -6.676 -9.042 1.00 44.40 H new ATOM 0 HB3 HIS A 41 2.684 -7.134 -8.355 1.00 44.40 H new ATOM 0 HD2 HIS A 41 3.791 -9.457 -10.100 1.00 13.30 H new ATOM 0 HE1 HIS A 41 2.410 -7.394 -13.546 1.00 12.50 H new ATOM 0 HE2 HIS A 41 3.953 -9.231 -12.695 1.00 25.30 H new ATOM 675 N ALA A 42 2.689 -9.442 -6.503 1.00 15.10 N ATOM 676 CA ALA A 42 3.705 -10.300 -5.907 1.00 72.50 C ATOM 677 C ALA A 42 3.159 -11.700 -5.642 1.00 21.10 C ATOM 678 O ALA A 42 3.888 -12.680 -5.728 1.00 22.20 O ATOM 679 CB ALA A 42 4.225 -9.684 -4.617 1.00 0.24 C ATOM 0 H ALA A 42 2.357 -8.694 -5.894 1.00 15.10 H new ATOM 0 HA ALA A 42 4.529 -10.388 -6.615 1.00 72.50 H new ATOM 0 HB1 ALA A 42 4.983 -10.335 -4.183 1.00 0.24 H new ATOM 0 HB2 ALA A 42 4.663 -8.709 -4.830 1.00 0.24 H new ATOM 0 HB3 ALA A 42 3.402 -9.566 -3.913 1.00 0.24 H new ATOM 685 N ILE A 43 1.872 -11.770 -5.319 1.00 74.50 N ATOM 686 CA ILE A 43 1.228 -13.050 -5.039 1.00 2.02 C ATOM 687 C ILE A 43 0.909 -13.800 -6.328 1.00 74.20 C ATOM 688 O ILE A 43 1.196 -14.990 -6.453 1.00 2.53 O ATOM 689 CB ILE A 43 -0.072 -12.860 -4.233 1.00 33.20 C ATOM 690 CG1 ILE A 43 0.183 -11.990 -3.004 1.00 43.40 C ATOM 691 CG2 ILE A 43 -0.639 -14.210 -3.817 1.00 22.30 C ATOM 692 CD1 ILE A 43 -1.004 -11.130 -2.613 1.00 23.40 C ATOM 0 H ILE A 43 1.256 -10.960 -5.245 1.00 74.50 H new ATOM 0 HA ILE A 43 1.932 -13.635 -4.447 1.00 2.02 H new ATOM 0 HB ILE A 43 -0.801 -12.356 -4.868 1.00 33.20 H new ATOM 0 HG12 ILE A 43 0.449 -12.631 -2.164 1.00 43.40 H new ATOM 0 HG13 ILE A 43 1.041 -11.345 -3.197 1.00 43.40 H new ATOM 0 HG21 ILE A 43 -1.557 -14.060 -3.249 1.00 22.30 H new ATOM 0 HG22 ILE A 43 -0.855 -14.803 -4.706 1.00 22.30 H new ATOM 0 HG23 ILE A 43 0.089 -14.735 -3.199 1.00 22.30 H new ATOM 0 HD11 ILE A 43 -0.751 -10.539 -1.733 1.00 23.40 H new ATOM 0 HD12 ILE A 43 -1.257 -10.463 -3.437 1.00 23.40 H new ATOM 0 HD13 ILE A 43 -1.858 -11.769 -2.388 1.00 23.40 H new ATOM 704 N LYS A 44 0.310 -13.100 -7.285 1.00 25.40 N ATOM 705 CA LYS A 44 -0.052 -13.700 -8.564 1.00 43.50 C ATOM 706 C LYS A 44 1.179 -14.250 -9.277 1.00 15.20 C ATOM 707 O LYS A 44 1.209 -15.420 -9.673 1.00 2.24 O ATOM 708 CB LYS A 44 -0.755 -12.670 -9.454 1.00 42.40 C ATOM 709 CG LYS A 44 -1.929 -13.250 -10.230 1.00 72.00 C ATOM 710 CD LYS A 44 -1.876 -12.850 -11.700 1.00 65.30 C ATOM 711 CE LYS A 44 -1.355 -13.990 -12.560 1.00 25.10 C ATOM 712 NZ LYS A 44 0.129 -14.100 -12.500 1.00 75.50 N ATOM 0 H LYS A 44 0.064 -12.114 -7.199 1.00 25.40 H new ATOM 0 HA LYS A 44 -0.734 -14.527 -8.368 1.00 43.50 H new ATOM 0 HB2 LYS A 44 -1.109 -11.846 -8.835 1.00 42.40 H new ATOM 0 HB3 LYS A 44 -0.033 -12.254 -10.157 1.00 42.40 H new ATOM 0 HG2 LYS A 44 -1.921 -14.337 -10.147 1.00 72.00 H new ATOM 0 HG3 LYS A 44 -2.864 -12.904 -9.791 1.00 72.00 H new ATOM 0 HD2 LYS A 44 -2.872 -12.562 -12.038 1.00 65.30 H new ATOM 0 HD3 LYS A 44 -1.234 -11.978 -11.820 1.00 65.30 H new ATOM 0 HE2 LYS A 44 -1.802 -14.927 -12.229 1.00 25.10 H new ATOM 0 HE3 LYS A 44 -1.666 -13.836 -13.593 1.00 25.10 H new ATOM 0 HZ1 LYS A 44 0.493 -14.401 -13.427 1.00 75.50 H new ATOM 0 HZ2 LYS A 44 0.536 -13.176 -12.252 1.00 75.50 H new ATOM 0 HZ3 LYS A 44 0.396 -14.801 -11.779 1.00 75.50 H new ATOM 726 N TYR A 45 2.192 -13.410 -9.439 1.00 50.50 N ATOM 727 CA TYR A 45 3.425 -13.810 -10.100 1.00 32.00 C ATOM 728 C TYR A 45 4.259 -14.720 -9.207 1.00 22.10 C ATOM 729 O TYR A 45 4.484 -15.880 -9.524 1.00 43.10 O ATOM 730 CB TYR A 45 4.239 -12.580 -10.500 1.00 52.30 C ATOM 731 CG TYR A 45 3.822 -11.980 -11.820 1.00 14.40 C ATOM 732 CD1 TYR A 45 2.496 -11.640 -12.070 1.00 30.20 C ATOM 733 CD2 TYR A 45 4.754 -11.750 -12.830 1.00 42.10 C ATOM 734 CE1 TYR A 45 2.111 -11.090 -13.280 1.00 35.10 C ATOM 735 CE2 TYR A 45 4.377 -11.200 -14.040 1.00 11.10 C ATOM 736 CZ TYR A 45 3.055 -10.870 -14.260 1.00 33.10 C ATOM 737 OH TYR A 45 2.675 -10.330 -15.460 1.00 24.40 O ATOM 0 H TYR A 45 2.183 -12.441 -9.119 1.00 50.50 H new ATOM 0 HA TYR A 45 3.157 -14.366 -10.998 1.00 32.00 H new ATOM 0 HB2 TYR A 45 4.144 -11.824 -9.721 1.00 52.30 H new ATOM 0 HB3 TYR A 45 5.293 -12.854 -10.552 1.00 52.30 H new ATOM 0 HD1 TYR A 45 1.753 -11.809 -11.305 1.00 30.20 H new ATOM 0 HD2 TYR A 45 5.790 -12.006 -12.664 1.00 42.10 H new ATOM 0 HE1 TYR A 45 1.076 -10.834 -13.456 1.00 35.10 H new ATOM 0 HE2 TYR A 45 5.114 -11.029 -14.811 1.00 11.10 H new ATOM 0 HH TYR A 45 3.459 -10.238 -16.040 1.00 24.40 H new ATOM 747 N GLU A 46 4.715 -14.170 -8.085 1.00 62.40 N ATOM 748 CA GLU A 46 5.525 -14.930 -7.139 1.00 55.10 C ATOM 749 C GLU A 46 4.661 -15.510 -6.025 1.00 62.50 C ATOM 750 O GLU A 46 4.569 -14.950 -4.937 1.00 53.40 O ATOM 751 CB GLU A 46 6.617 -14.040 -6.543 1.00 72.10 C ATOM 752 CG GLU A 46 7.874 -13.960 -7.394 1.00 11.20 C ATOM 753 CD GLU A 46 9.132 -14.280 -6.608 1.00 31.20 C ATOM 754 OE1 GLU A 46 9.473 -13.490 -5.698 1.00 24.50 O ATOM 755 OE2 GLU A 46 9.777 -15.310 -6.901 1.00 22.50 O ATOM 0 H GLU A 46 4.538 -13.204 -7.810 1.00 62.40 H new ATOM 0 HA GLU A 46 5.991 -15.755 -7.678 1.00 55.10 H new ATOM 0 HB2 GLU A 46 6.218 -13.035 -6.404 1.00 72.10 H new ATOM 0 HB3 GLU A 46 6.881 -14.417 -5.555 1.00 72.10 H new ATOM 0 HG2 GLU A 46 7.787 -14.653 -8.231 1.00 11.20 H new ATOM 0 HG3 GLU A 46 7.959 -12.959 -7.817 1.00 11.20 H new ATOM 762 N ALA A 47 4.030 -16.650 -6.305 1.00 71.20 N ATOM 763 CA ALA A 47 3.175 -17.310 -5.325 1.00 75.50 C ATOM 764 C ALA A 47 3.991 -18.200 -4.397 1.00 34.40 C ATOM 765 O ALA A 47 4.704 -19.100 -4.849 1.00 63.40 O ATOM 766 CB ALA A 47 2.095 -18.120 -6.026 1.00 40.20 C ATOM 0 H ALA A 47 4.096 -17.133 -7.201 1.00 71.20 H new ATOM 0 HA ALA A 47 2.698 -16.540 -4.719 1.00 75.50 H new ATOM 0 HB1 ALA A 47 1.465 -18.607 -5.282 1.00 40.20 H new ATOM 0 HB2 ALA A 47 1.485 -17.458 -6.641 1.00 40.20 H new ATOM 0 HB3 ALA A 47 2.560 -18.876 -6.658 1.00 40.20 H new ATOM 772 N HIS A 48 3.879 -17.950 -3.097 1.00 25.20 N ATOM 773 CA HIS A 48 4.606 -18.730 -2.103 1.00 53.10 C ATOM 774 C HIS A 48 3.664 -19.680 -1.360 1.00 4.43 C ATOM 775 O HIS A 48 2.535 -19.910 -1.793 1.00 42.40 O ATOM 776 CB HIS A 48 5.312 -17.800 -1.113 1.00 63.20 C ATOM 777 CG HIS A 48 6.804 -17.920 -1.139 1.00 40.40 C ATOM 778 ND1 HIS A 48 7.637 -16.880 -1.506 1.00 5.44 N ATOM 779 CD2 HIS A 48 7.615 -18.960 -0.841 1.00 42.20 C ATOM 780 CE1 HIS A 48 8.894 -17.280 -1.433 1.00 64.20 C ATOM 781 NE2 HIS A 48 8.908 -18.540 -1.030 1.00 23.40 N ATOM 0 H HIS A 48 3.291 -17.213 -2.707 1.00 25.20 H new ATOM 0 HA HIS A 48 5.356 -19.329 -2.620 1.00 53.10 H new ATOM 0 HB2 HIS A 48 5.035 -16.769 -1.334 1.00 63.20 H new ATOM 0 HB3 HIS A 48 4.956 -18.017 -0.106 1.00 63.20 H new ATOM 0 HD2 HIS A 48 7.303 -19.941 -0.514 1.00 42.20 H new ATOM 0 HE1 HIS A 48 9.762 -16.680 -1.663 1.00 64.20 H new ATOM 0 HE2 HIS A 48 9.743 -19.107 -0.884 1.00 23.40 H new ATOM 790 N SER A 49 4.134 -20.220 -0.240 1.00 11.40 N ATOM 791 CA SER A 49 3.330 -21.130 0.559 1.00 3.44 C ATOM 792 C SER A 49 2.085 -20.440 1.098 1.00 31.30 C ATOM 793 O SER A 49 1.942 -19.220 0.974 1.00 33.40 O ATOM 794 CB SER A 49 4.159 -21.700 1.717 1.00 12.10 C ATOM 795 OG SER A 49 4.703 -22.960 1.388 1.00 70.40 O ATOM 0 H SER A 49 5.067 -20.042 0.132 1.00 11.40 H new ATOM 0 HA SER A 49 3.012 -21.948 -0.087 1.00 3.44 H new ATOM 0 HB2 SER A 49 4.964 -21.008 1.966 1.00 12.10 H new ATOM 0 HB3 SER A 49 3.533 -21.793 2.604 1.00 12.10 H new ATOM 0 HG SER A 49 5.227 -23.297 2.144 1.00 70.40 H new ATOM 801 N ASP A 50 1.189 -21.210 1.694 1.00 22.00 N ATOM 802 CA ASP A 50 -0.045 -20.670 2.251 1.00 15.10 C ATOM 803 C ASP A 50 0.253 -19.620 3.317 1.00 14.20 C ATOM 804 O ASP A 50 -0.486 -18.650 3.466 1.00 1.05 O ATOM 805 CB ASP A 50 -0.898 -21.790 2.846 1.00 72.10 C ATOM 806 CG ASP A 50 -2.147 -22.070 2.029 1.00 52.30 C ATOM 807 OD1 ASP A 50 -3.107 -21.270 2.131 1.00 52.50 O ATOM 808 OD2 ASP A 50 -2.163 -23.070 1.287 1.00 73.10 O ATOM 0 H ASP A 50 1.293 -22.219 1.806 1.00 22.00 H new ATOM 0 HA ASP A 50 -0.599 -20.194 1.442 1.00 15.10 H new ATOM 0 HB2 ASP A 50 -0.301 -22.700 2.913 1.00 72.10 H new ATOM 0 HB3 ASP A 50 -1.186 -21.522 3.862 1.00 72.10 H new ATOM 813 N LYS A 51 1.338 -19.820 4.056 1.00 40.00 N ATOM 814 CA LYS A 51 1.732 -18.890 5.109 1.00 54.00 C ATOM 815 C LYS A 51 2.061 -17.520 4.530 1.00 54.10 C ATOM 816 O LYS A 51 1.615 -16.500 5.048 1.00 61.20 O ATOM 817 CB LYS A 51 2.938 -19.440 5.876 1.00 75.30 C ATOM 818 CG LYS A 51 2.674 -19.640 7.359 1.00 20.20 C ATOM 819 CD LYS A 51 3.905 -19.330 8.194 1.00 41.30 C ATOM 820 CE LYS A 51 3.549 -18.500 9.421 1.00 51.30 C ATOM 821 NZ LYS A 51 3.817 -17.050 9.214 1.00 43.40 N ATOM 0 H LYS A 51 1.962 -20.619 3.946 1.00 40.00 H new ATOM 0 HA LYS A 51 0.893 -18.779 5.796 1.00 54.00 H new ATOM 0 HB2 LYS A 51 3.235 -20.392 5.436 1.00 75.30 H new ATOM 0 HB3 LYS A 51 3.779 -18.757 5.754 1.00 75.30 H new ATOM 0 HG2 LYS A 51 1.850 -18.998 7.672 1.00 20.20 H new ATOM 0 HG3 LYS A 51 2.362 -20.669 7.538 1.00 20.20 H new ATOM 0 HD2 LYS A 51 4.378 -20.261 8.507 1.00 41.30 H new ATOM 0 HD3 LYS A 51 4.632 -18.791 7.587 1.00 41.30 H new ATOM 0 HE2 LYS A 51 2.495 -18.643 9.661 1.00 51.30 H new ATOM 0 HE3 LYS A 51 4.122 -18.855 10.277 1.00 51.30 H new ATOM 0 HZ1 LYS A 51 3.561 -16.523 10.073 1.00 43.40 H new ATOM 0 HZ2 LYS A 51 4.827 -16.909 9.010 1.00 43.40 H new ATOM 0 HZ3 LYS A 51 3.251 -16.703 8.414 1.00 43.40 H new ATOM 835 N ALA A 52 2.843 -17.510 3.457 1.00 23.30 N ATOM 836 CA ALA A 52 3.232 -16.260 2.810 1.00 2.11 C ATOM 837 C ALA A 52 2.070 -15.660 2.025 1.00 71.30 C ATOM 838 O ALA A 52 1.948 -14.440 1.911 1.00 21.10 O ATOM 839 CB ALA A 52 4.426 -16.490 1.895 1.00 24.10 C ATOM 0 H ALA A 52 3.220 -18.349 3.017 1.00 23.30 H new ATOM 0 HA ALA A 52 3.514 -15.550 3.588 1.00 2.11 H new ATOM 0 HB1 ALA A 52 4.706 -15.550 1.419 1.00 24.10 H new ATOM 0 HB2 ALA A 52 5.266 -16.865 2.480 1.00 24.10 H new ATOM 0 HB3 ALA A 52 4.163 -17.220 1.130 1.00 24.10 H new ATOM 845 N LYS A 53 1.218 -16.520 1.483 1.00 30.10 N ATOM 846 CA LYS A 53 0.066 -16.080 0.707 1.00 53.40 C ATOM 847 C LYS A 53 -0.950 -15.370 1.595 1.00 20.30 C ATOM 848 O LYS A 53 -1.441 -14.290 1.256 1.00 2.23 O ATOM 849 CB LYS A 53 -0.593 -17.270 0.007 1.00 65.50 C ATOM 850 CG LYS A 53 -1.476 -16.870 -1.165 1.00 12.40 C ATOM 851 CD LYS A 53 -1.640 -18.020 -2.152 1.00 10.20 C ATOM 852 CE LYS A 53 -3.014 -18.000 -2.801 1.00 33.30 C ATOM 853 NZ LYS A 53 -3.085 -18.910 -3.973 1.00 61.00 N ATOM 0 H LYS A 53 1.304 -17.533 1.567 1.00 30.10 H new ATOM 0 HA LYS A 53 0.417 -15.376 -0.047 1.00 53.40 H new ATOM 0 HB2 LYS A 53 0.183 -17.948 -0.348 1.00 65.50 H new ATOM 0 HB3 LYS A 53 -1.192 -17.822 0.732 1.00 65.50 H new ATOM 0 HG2 LYS A 53 -2.454 -16.561 -0.797 1.00 12.40 H new ATOM 0 HG3 LYS A 53 -1.041 -16.010 -1.674 1.00 12.40 H new ATOM 0 HD2 LYS A 53 -0.871 -17.954 -2.922 1.00 10.20 H new ATOM 0 HD3 LYS A 53 -1.493 -18.969 -1.636 1.00 10.20 H new ATOM 0 HE2 LYS A 53 -3.766 -18.292 -2.068 1.00 33.30 H new ATOM 0 HE3 LYS A 53 -3.253 -16.984 -3.115 1.00 33.30 H new ATOM 0 HZ1 LYS A 53 -4.038 -18.868 -4.388 1.00 61.00 H new ATOM 0 HZ2 LYS A 53 -2.385 -18.616 -4.684 1.00 61.00 H new ATOM 0 HZ3 LYS A 53 -2.882 -19.884 -3.669 1.00 61.00 H new ATOM 867 N GLU A 54 -1.264 -15.980 2.733 1.00 22.30 N ATOM 868 CA GLU A 54 -2.224 -15.410 3.670 1.00 25.20 C ATOM 869 C GLU A 54 -1.691 -14.110 4.271 1.00 44.10 C ATOM 870 O GLU A 54 -2.440 -13.150 4.475 1.00 24.20 O ATOM 871 CB GLU A 54 -2.543 -16.400 4.784 1.00 44.10 C ATOM 872 CG GLU A 54 -1.355 -16.720 5.678 1.00 2.41 C ATOM 873 CD GLU A 54 -1.674 -17.770 6.722 1.00 22.20 C ATOM 874 OE1 GLU A 54 -1.838 -18.950 6.345 1.00 60.30 O ATOM 875 OE2 GLU A 54 -1.758 -17.420 7.916 1.00 12.40 O ATOM 0 H GLU A 54 -0.866 -16.871 3.029 1.00 22.30 H new ATOM 0 HA GLU A 54 -3.139 -15.192 3.118 1.00 25.20 H new ATOM 0 HB2 GLU A 54 -3.349 -15.996 5.397 1.00 44.10 H new ATOM 0 HB3 GLU A 54 -2.912 -17.325 4.341 1.00 44.10 H new ATOM 0 HG2 GLU A 54 -0.525 -17.067 5.062 1.00 2.41 H new ATOM 0 HG3 GLU A 54 -1.024 -15.808 6.175 1.00 2.41 H new ATOM 882 N SER A 55 -0.393 -14.080 4.555 1.00 15.40 N ATOM 883 CA SER A 55 0.240 -12.910 5.136 1.00 24.40 C ATOM 884 C SER A 55 0.094 -11.700 4.218 1.00 55.10 C ATOM 885 O SER A 55 -0.300 -10.620 4.657 1.00 45.20 O ATOM 886 CB SER A 55 1.721 -13.180 5.404 1.00 1.41 C ATOM 887 OG SER A 55 1.909 -13.770 6.677 1.00 32.50 O ATOM 0 H SER A 55 0.242 -14.861 4.389 1.00 15.40 H new ATOM 0 HA SER A 55 -0.259 -12.693 6.081 1.00 24.40 H new ATOM 0 HB2 SER A 55 2.119 -13.838 4.632 1.00 1.41 H new ATOM 0 HB3 SER A 55 2.280 -12.246 5.346 1.00 1.41 H new ATOM 0 HG SER A 55 1.879 -14.746 6.593 1.00 32.50 H new ATOM 893 N ILE A 56 0.413 -11.890 2.943 1.00 12.00 N ATOM 894 CA ILE A 56 0.319 -10.810 1.964 1.00 34.30 C ATOM 895 C ILE A 56 -1.137 -10.470 1.657 1.00 11.50 C ATOM 896 O ILE A 56 -1.494 -9.304 1.513 1.00 34.40 O ATOM 897 CB ILE A 56 1.034 -11.180 0.649 1.00 21.20 C ATOM 898 CG1 ILE A 56 2.450 -11.680 0.934 1.00 4.33 C ATOM 899 CG2 ILE A 56 1.073 -9.986 -0.291 1.00 73.10 C ATOM 900 CD1 ILE A 56 2.956 -12.680 -0.090 1.00 3.35 C ATOM 0 H ILE A 56 0.738 -12.779 2.562 1.00 12.00 H new ATOM 0 HA ILE A 56 0.808 -9.941 2.405 1.00 34.30 H new ATOM 0 HB ILE A 56 0.474 -11.981 0.166 1.00 21.20 H new ATOM 0 HG12 ILE A 56 3.129 -10.828 0.964 1.00 4.33 H new ATOM 0 HG13 ILE A 56 2.472 -12.140 1.922 1.00 4.33 H new ATOM 0 HG21 ILE A 56 1.581 -10.266 -1.214 1.00 73.10 H new ATOM 0 HG22 ILE A 56 0.055 -9.669 -0.519 1.00 73.10 H new ATOM 0 HG23 ILE A 56 1.610 -9.166 0.185 1.00 73.10 H new ATOM 0 HD11 ILE A 56 3.966 -12.992 0.175 1.00 3.35 H new ATOM 0 HD12 ILE A 56 2.299 -13.550 -0.104 1.00 3.35 H new ATOM 0 HD13 ILE A 56 2.966 -12.217 -1.077 1.00 3.35 H new ATOM 912 N ARG A 57 -1.972 -11.500 1.559 1.00 42.50 N ATOM 913 CA ARG A 57 -3.389 -11.310 1.268 1.00 14.30 C ATOM 914 C ARG A 57 -4.061 -10.460 2.345 1.00 53.40 C ATOM 915 O ARG A 57 -4.936 -9.652 2.052 1.00 35.40 O ATOM 916 CB ARG A 57 -4.094 -12.660 1.152 1.00 60.40 C ATOM 917 CG ARG A 57 -5.365 -12.610 0.319 1.00 40.50 C ATOM 918 CD ARG A 57 -5.069 -12.810 -1.159 1.00 71.50 C ATOM 919 NE ARG A 57 -6.277 -12.720 -1.976 1.00 0.33 N ATOM 920 CZ ARG A 57 -6.849 -11.560 -2.320 1.00 15.40 C ATOM 921 NH1 ARG A 57 -6.328 -10.410 -1.919 1.00 21.40 N ATOM 922 NH2 ARG A 57 -7.944 -11.560 -3.067 1.00 73.40 N ATOM 0 H ARG A 57 -1.692 -12.474 1.677 1.00 42.50 H new ATOM 0 HA ARG A 57 -3.469 -10.784 0.317 1.00 14.30 H new ATOM 0 HB2 ARG A 57 -3.408 -13.383 0.711 1.00 60.40 H new ATOM 0 HB3 ARG A 57 -4.338 -13.021 2.151 1.00 60.40 H new ATOM 0 HG2 ARG A 57 -6.056 -13.381 0.661 1.00 40.50 H new ATOM 0 HG3 ARG A 57 -5.860 -11.650 0.466 1.00 40.50 H new ATOM 0 HD2 ARG A 57 -4.351 -12.060 -1.490 1.00 71.50 H new ATOM 0 HD3 ARG A 57 -4.603 -13.784 -1.307 1.00 71.50 H new ATOM 0 HE ARG A 57 -6.707 -13.586 -2.301 1.00 0.33 H new ATOM 0 HH11 ARG A 57 -5.485 -10.405 -1.344 1.00 21.40 H new ATOM 0 HH12 ARG A 57 -6.769 -9.530 -2.185 1.00 21.40 H new ATOM 0 HH21 ARG A 57 -8.349 -12.443 -3.378 1.00 73.40 H new ATOM 0 HH22 ARG A 57 -8.382 -10.677 -3.330 1.00 73.40 H new ATOM 936 N ALA A 58 -3.647 -10.660 3.592 1.00 12.20 N ATOM 937 CA ALA A 58 -4.212 -9.921 4.712 1.00 4.42 C ATOM 938 C ALA A 58 -3.637 -8.510 4.787 1.00 60.40 C ATOM 939 O ALA A 58 -4.288 -7.590 5.281 1.00 5.43 O ATOM 940 CB ALA A 58 -3.963 -10.660 6.015 1.00 24.00 C ATOM 0 H ALA A 58 -2.922 -11.329 3.851 1.00 12.20 H new ATOM 0 HA ALA A 58 -5.287 -9.841 4.552 1.00 4.42 H new ATOM 0 HB1 ALA A 58 -4.392 -10.094 6.842 1.00 24.00 H new ATOM 0 HB2 ALA A 58 -4.428 -11.645 5.969 1.00 24.00 H new ATOM 0 HB3 ALA A 58 -2.890 -10.773 6.170 1.00 24.00 H new ATOM 946 N LYS A 59 -2.412 -8.348 4.299 1.00 0.51 N ATOM 947 CA LYS A 59 -1.747 -7.049 4.315 1.00 51.10 C ATOM 948 C LYS A 59 -2.425 -6.071 3.359 1.00 33.30 C ATOM 949 O LYS A 59 -2.760 -4.949 3.740 1.00 20.40 O ATOM 950 CB LYS A 59 -0.272 -7.206 3.941 1.00 11.20 C ATOM 951 CG LYS A 59 0.639 -7.419 5.138 1.00 71.10 C ATOM 952 CD LYS A 59 2.094 -7.546 4.715 1.00 55.10 C ATOM 953 CE LYS A 59 2.538 -9.000 4.678 1.00 71.30 C ATOM 954 NZ LYS A 59 3.963 -9.155 5.080 1.00 4.24 N ATOM 0 H LYS A 59 -1.859 -9.100 3.887 1.00 0.51 H new ATOM 0 HA LYS A 59 -1.821 -6.646 5.325 1.00 51.10 H new ATOM 0 HB2 LYS A 59 -0.166 -8.050 3.260 1.00 11.20 H new ATOM 0 HB3 LYS A 59 0.054 -6.317 3.400 1.00 11.20 H new ATOM 0 HG2 LYS A 59 0.532 -6.585 5.831 1.00 71.10 H new ATOM 0 HG3 LYS A 59 0.335 -8.319 5.673 1.00 71.10 H new ATOM 0 HD2 LYS A 59 2.228 -7.098 3.730 1.00 55.10 H new ATOM 0 HD3 LYS A 59 2.725 -6.989 5.407 1.00 55.10 H new ATOM 0 HE2 LYS A 59 1.907 -9.589 5.343 1.00 71.30 H new ATOM 0 HE3 LYS A 59 2.399 -9.397 3.672 1.00 71.30 H new ATOM 0 HZ1 LYS A 59 4.227 -10.160 5.042 1.00 4.24 H new ATOM 0 HZ2 LYS A 59 4.568 -8.613 4.430 1.00 4.24 H new ATOM 0 HZ3 LYS A 59 4.091 -8.800 6.049 1.00 4.24 H new ATOM 968 N CYS A 60 -2.620 -6.501 2.117 1.00 34.10 N ATOM 969 CA CYS A 60 -3.254 -5.661 1.107 1.00 30.30 C ATOM 970 C CYS A 60 -4.652 -5.233 1.544 1.00 34.00 C ATOM 971 O CYS A 60 -5.054 -4.088 1.334 1.00 51.40 O ATOM 972 CB CYS A 60 -3.329 -6.403 -0.230 1.00 50.40 C ATOM 973 SG CYS A 60 -4.385 -7.870 -0.201 1.00 75.40 S ATOM 0 H CYS A 60 -2.348 -7.426 1.785 1.00 34.10 H new ATOM 0 HA CYS A 60 -2.645 -4.765 0.986 1.00 30.30 H new ATOM 0 HB2 CYS A 60 -3.698 -5.718 -0.993 1.00 50.40 H new ATOM 0 HB3 CYS A 60 -2.323 -6.699 -0.526 1.00 50.40 H new ATOM 0 HG CYS A 60 -4.403 -8.368 1.000 1.00 75.40 H new ATOM 979 N VAL A 61 -5.387 -6.157 2.151 1.00 31.40 N ATOM 980 CA VAL A 61 -6.741 -5.875 2.615 1.00 1.13 C ATOM 981 C VAL A 61 -6.743 -4.771 3.668 1.00 41.10 C ATOM 982 O VAL A 61 -7.660 -3.951 3.721 1.00 0.12 O ATOM 983 CB VAL A 61 -7.407 -7.132 3.203 1.00 4.13 C ATOM 984 CG1 VAL A 61 -8.860 -6.855 3.558 1.00 1.11 C ATOM 985 CG2 VAL A 61 -7.303 -8.298 2.230 1.00 54.20 C ATOM 0 H VAL A 61 -5.068 -7.109 2.334 1.00 31.40 H new ATOM 0 HA VAL A 61 -7.310 -5.545 1.746 1.00 1.13 H new ATOM 0 HB VAL A 61 -6.880 -7.402 4.118 1.00 4.13 H new ATOM 0 HG11 VAL A 61 -9.312 -7.757 3.972 1.00 1.11 H new ATOM 0 HG12 VAL A 61 -8.908 -6.054 4.295 1.00 1.11 H new ATOM 0 HG13 VAL A 61 -9.403 -6.556 2.661 1.00 1.11 H new ATOM 0 HG21 VAL A 61 -7.779 -9.177 2.664 1.00 54.20 H new ATOM 0 HG22 VAL A 61 -7.802 -8.038 1.296 1.00 54.20 H new ATOM 0 HG23 VAL A 61 -6.253 -8.515 2.032 1.00 54.20 H new ATOM 995 N GLN A 62 -5.713 -4.758 4.507 1.00 4.41 N ATOM 996 CA GLN A 62 -5.599 -3.756 5.561 1.00 13.10 C ATOM 997 C GLN A 62 -5.232 -2.392 4.984 1.00 34.00 C ATOM 998 O GLN A 62 -5.694 -1.358 5.468 1.00 3.44 O ATOM 999 CB GLN A 62 -4.551 -4.188 6.590 1.00 54.40 C ATOM 1000 CG GLN A 62 -5.005 -4.011 8.030 1.00 1.42 C ATOM 1001 CD GLN A 62 -4.612 -2.664 8.603 1.00 63.40 C ATOM 1002 OE1 GLN A 62 -5.457 -1.795 8.814 1.00 1.42 O ATOM 1003 NE2 GLN A 62 -3.320 -2.484 8.858 1.00 51.30 N ATOM 0 H GLN A 62 -4.946 -5.429 4.478 1.00 4.41 H new ATOM 0 HA GLN A 62 -6.569 -3.670 6.052 1.00 13.10 H new ATOM 0 HB2 GLN A 62 -4.300 -5.235 6.423 1.00 54.40 H new ATOM 0 HB3 GLN A 62 -3.639 -3.612 6.432 1.00 54.40 H new ATOM 0 HG2 GLN A 62 -6.088 -4.122 8.082 1.00 1.42 H new ATOM 0 HG3 GLN A 62 -4.574 -4.802 8.643 1.00 1.42 H new ATOM 0 HE21 GLN A 62 -2.653 -3.232 8.668 1.00 51.30 H new ATOM 0 HE22 GLN A 62 -2.995 -1.598 9.244 1.00 51.30 H new ATOM 1012 N TYR A 63 -4.397 -2.397 3.950 1.00 35.30 N ATOM 1013 CA TYR A 63 -3.966 -1.160 3.309 1.00 52.10 C ATOM 1014 C TYR A 63 -5.109 -0.524 2.522 1.00 1.45 C ATOM 1015 O TYR A 63 -5.234 0.700 2.471 1.00 34.30 O ATOM 1016 CB TYR A 63 -2.781 -1.428 2.381 1.00 61.20 C ATOM 1017 CG TYR A 63 -1.512 -1.803 3.112 1.00 11.50 C ATOM 1018 CD1 TYR A 63 -1.015 -1.004 4.135 1.00 10.10 C ATOM 1019 CD2 TYR A 63 -0.810 -2.956 2.780 1.00 75.00 C ATOM 1020 CE1 TYR A 63 0.143 -1.344 4.806 1.00 3.24 C ATOM 1021 CE2 TYR A 63 0.349 -3.301 3.447 1.00 44.30 C ATOM 1022 CZ TYR A 63 0.822 -2.493 4.459 1.00 20.40 C ATOM 1023 OH TYR A 63 1.977 -2.834 5.125 1.00 14.30 O ATOM 0 H TYR A 63 -4.005 -3.244 3.538 1.00 35.30 H new ATOM 0 HA TYR A 63 -3.658 -0.466 4.091 1.00 52.10 H new ATOM 0 HB2 TYR A 63 -3.044 -2.231 1.692 1.00 61.20 H new ATOM 0 HB3 TYR A 63 -2.594 -0.539 1.778 1.00 61.20 H new ATOM 0 HD1 TYR A 63 -1.543 -0.103 4.409 1.00 10.10 H new ATOM 0 HD2 TYR A 63 -1.177 -3.592 1.988 1.00 75.00 H new ATOM 0 HE1 TYR A 63 0.515 -0.713 5.599 1.00 3.24 H new ATOM 0 HE2 TYR A 63 0.883 -4.200 3.177 1.00 44.30 H new ATOM 0 HH TYR A 63 2.330 -3.672 4.759 1.00 14.30 H new ATOM 1033 N LEU A 64 -5.936 -1.363 1.909 1.00 22.50 N ATOM 1034 CA LEU A 64 -7.067 -0.882 1.121 1.00 64.30 C ATOM 1035 C LEU A 64 -8.055 -0.114 1.995 1.00 14.30 C ATOM 1036 O LEU A 64 -8.606 0.905 1.578 1.00 4.30 O ATOM 1037 CB LEU A 64 -7.775 -2.055 0.440 1.00 14.00 C ATOM 1038 CG LEU A 64 -7.232 -2.425 -0.941 1.00 71.40 C ATOM 1039 CD1 LEU A 64 -7.383 -3.918 -1.191 1.00 65.10 C ATOM 1040 CD2 LEU A 64 -7.942 -1.627 -2.023 1.00 12.10 C ATOM 0 H LEU A 64 -5.846 -2.378 1.942 1.00 22.50 H new ATOM 0 HA LEU A 64 -6.684 -0.204 0.358 1.00 64.30 H new ATOM 0 HB2 LEU A 64 -7.703 -2.929 1.088 1.00 14.00 H new ATOM 0 HB3 LEU A 64 -8.834 -1.815 0.345 1.00 14.00 H new ATOM 0 HG LEU A 64 -6.171 -2.178 -0.972 1.00 71.40 H new ATOM 0 HD11 LEU A 64 -6.991 -4.163 -2.178 1.00 65.10 H new ATOM 0 HD12 LEU A 64 -6.829 -4.472 -0.433 1.00 65.10 H new ATOM 0 HD13 LEU A 64 -8.437 -4.191 -1.141 1.00 65.10 H new ATOM 0 HD21 LEU A 64 -7.543 -1.903 -2.999 1.00 12.10 H new ATOM 0 HD22 LEU A 64 -9.010 -1.843 -1.993 1.00 12.10 H new ATOM 0 HD23 LEU A 64 -7.782 -0.562 -1.854 1.00 12.10 H new ATOM 1052 N ASP A 65 -8.274 -0.610 3.209 1.00 4.03 N ATOM 1053 CA ASP A 65 -9.198 0.029 4.139 1.00 54.40 C ATOM 1054 C ASP A 65 -8.704 1.417 4.538 1.00 32.10 C ATOM 1055 O ASP A 65 -9.461 2.388 4.508 1.00 4.40 O ATOM 1056 CB ASP A 65 -9.377 -0.837 5.387 1.00 52.50 C ATOM 1057 CG ASP A 65 -10.780 -0.772 5.940 1.00 54.10 C ATOM 1058 OD1 ASP A 65 -11.110 0.226 6.615 1.00 22.10 O ATOM 1059 OD2 ASP A 65 -11.560 -1.720 5.698 1.00 4.13 O ATOM 0 H ASP A 65 -7.825 -1.451 3.571 1.00 4.03 H new ATOM 0 HA ASP A 65 -10.159 0.138 3.636 1.00 54.40 H new ATOM 0 HB2 ASP A 65 -9.133 -1.871 5.145 1.00 52.50 H new ATOM 0 HB3 ASP A 65 -8.673 -0.514 6.153 1.00 52.50 H new ATOM 1064 N ARG A 66 -7.431 1.502 4.910 1.00 22.50 N ATOM 1065 CA ARG A 66 -6.838 2.771 5.317 1.00 33.10 C ATOM 1066 C ARG A 66 -6.892 3.791 4.183 1.00 50.00 C ATOM 1067 O ARG A 66 -7.273 4.943 4.390 1.00 63.20 O ATOM 1068 CB ARG A 66 -5.388 2.560 5.760 1.00 15.30 C ATOM 1069 CG ARG A 66 -5.257 2.017 7.173 1.00 71.20 C ATOM 1070 CD ARG A 66 -5.292 3.134 8.204 1.00 43.20 C ATOM 1071 NE ARG A 66 -6.655 3.582 8.478 1.00 52.20 N ATOM 1072 CZ ARG A 66 -7.504 2.932 9.272 1.00 52.30 C ATOM 1073 NH1 ARG A 66 -7.134 1.806 9.870 1.00 52.10 N ATOM 1074 NH2 ARG A 66 -8.726 3.408 9.468 1.00 2.43 N ATOM 0 H ARG A 66 -6.791 0.708 4.938 1.00 22.50 H new ATOM 0 HA ARG A 66 -7.416 3.159 6.155 1.00 33.10 H new ATOM 0 HB2 ARG A 66 -4.902 1.872 5.069 1.00 15.30 H new ATOM 0 HB3 ARG A 66 -4.855 3.508 5.693 1.00 15.30 H new ATOM 0 HG2 ARG A 66 -6.066 1.313 7.370 1.00 71.20 H new ATOM 0 HG3 ARG A 66 -4.323 1.463 7.266 1.00 71.20 H new ATOM 0 HD2 ARG A 66 -4.831 2.788 9.129 1.00 43.20 H new ATOM 0 HD3 ARG A 66 -4.698 3.976 7.847 1.00 43.20 H new ATOM 0 HE ARG A 66 -6.975 4.443 8.035 1.00 52.20 H new ATOM 0 HH11 ARG A 66 -6.196 1.435 9.722 1.00 52.10 H new ATOM 0 HH12 ARG A 66 -7.788 1.312 10.477 1.00 52.10 H new ATOM 0 HH21 ARG A 66 -9.016 4.272 9.011 1.00 2.43 H new ATOM 0 HH22 ARG A 66 -9.376 2.910 10.076 1.00 2.43 H new ATOM 1088 N ALA A 67 -6.507 3.359 2.987 1.00 63.00 N ATOM 1089 CA ALA A 67 -6.509 4.235 1.820 1.00 61.20 C ATOM 1090 C ALA A 67 -7.899 4.810 1.562 1.00 11.30 C ATOM 1091 O ALA A 67 -8.034 5.906 1.018 1.00 71.30 O ATOM 1092 CB ALA A 67 -6.012 3.481 0.596 1.00 73.30 C ATOM 0 H ALA A 67 -6.190 2.408 2.800 1.00 63.00 H new ATOM 0 HA ALA A 67 -5.835 5.067 2.021 1.00 61.20 H new ATOM 0 HB1 ALA A 67 -6.018 4.145 -0.268 1.00 73.30 H new ATOM 0 HB2 ALA A 67 -4.997 3.127 0.774 1.00 73.30 H new ATOM 0 HB3 ALA A 67 -6.665 2.629 0.403 1.00 73.30 H new ATOM 1098 N GLU A 68 -8.927 4.064 1.952 1.00 51.20 N ATOM 1099 CA GLU A 68 -10.300 4.502 1.760 1.00 22.50 C ATOM 1100 C GLU A 68 -10.650 5.648 2.704 1.00 34.40 C ATOM 1101 O GLU A 68 -11.350 6.590 2.324 1.00 24.10 O ATOM 1102 CB GLU A 68 -11.260 3.335 1.981 1.00 45.30 C ATOM 1103 CG GLU A 68 -11.400 2.420 0.774 1.00 13.10 C ATOM 1104 CD GLU A 68 -12.840 2.054 0.476 1.00 1.14 C ATOM 1105 OE1 GLU A 68 -13.500 2.802 -0.277 1.00 31.20 O ATOM 1106 OE2 GLU A 68 -13.310 1.020 0.996 1.00 62.10 O ATOM 0 H GLU A 68 -8.833 3.154 2.403 1.00 51.20 H new ATOM 0 HA GLU A 68 -10.399 4.861 0.736 1.00 22.50 H new ATOM 0 HB2 GLU A 68 -10.914 2.748 2.832 1.00 45.30 H new ATOM 0 HB3 GLU A 68 -12.242 3.729 2.243 1.00 45.30 H new ATOM 0 HG2 GLU A 68 -10.967 2.909 -0.098 1.00 13.10 H new ATOM 0 HG3 GLU A 68 -10.827 1.509 0.946 1.00 13.10 H new ATOM 1113 N LYS A 69 -10.160 5.562 3.937 1.00 13.40 N ATOM 1114 CA LYS A 69 -10.420 6.592 4.937 1.00 62.20 C ATOM 1115 C LYS A 69 -9.717 7.895 4.579 1.00 13.10 C ATOM 1116 O LYS A 69 -10.210 8.984 4.864 1.00 44.50 O ATOM 1117 CB LYS A 69 -9.978 6.117 6.319 1.00 50.30 C ATOM 1118 CG LYS A 69 -10.750 6.751 7.463 1.00 14.20 C ATOM 1119 CD LYS A 69 -9.917 7.786 8.199 1.00 72.00 C ATOM 1120 CE LYS A 69 -9.262 7.198 9.440 1.00 1.53 C ATOM 1121 NZ LYS A 69 -7.780 7.131 9.306 1.00 20.30 N ATOM 0 H LYS A 69 -9.581 4.790 4.267 1.00 13.40 H new ATOM 0 HA LYS A 69 -11.494 6.779 4.955 1.00 62.20 H new ATOM 0 HB2 LYS A 69 -10.091 5.034 6.374 1.00 50.30 H new ATOM 0 HB3 LYS A 69 -8.917 6.334 6.445 1.00 50.30 H new ATOM 0 HG2 LYS A 69 -11.654 7.221 7.075 1.00 14.20 H new ATOM 0 HG3 LYS A 69 -11.067 5.976 8.161 1.00 14.20 H new ATOM 0 HD2 LYS A 69 -9.149 8.177 7.532 1.00 72.00 H new ATOM 0 HD3 LYS A 69 -10.549 8.627 8.484 1.00 72.00 H new ATOM 0 HE2 LYS A 69 -9.521 7.803 10.309 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -9.656 6.198 9.619 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -7.371 6.725 10.172 1.00 20.30 H new ATOM 0 HZ2 LYS A 69 -7.532 6.533 8.492 1.00 20.30 H new ATOM 0 HZ3 LYS A 69 -7.401 8.088 9.160 1.00 20.30 H new ATOM 1135 N LEU A 70 -8.550 7.775 3.955 1.00 64.10 N ATOM 1136 CA LEU A 70 -7.772 8.944 3.560 1.00 65.20 C ATOM 1137 C LEU A 70 -8.519 9.774 2.521 1.00 64.50 C ATOM 1138 O LEU A 70 -8.492 11.004 2.559 1.00 32.20 O ATOM 1139 CB LEU A 70 -6.413 8.512 3.003 1.00 43.10 C ATOM 1140 CG LEU A 70 -5.545 7.704 3.967 1.00 33.20 C ATOM 1141 CD1 LEU A 70 -4.317 7.160 3.252 1.00 13.20 C ATOM 1142 CD2 LEU A 70 -5.136 8.557 5.158 1.00 11.40 C ATOM 0 H LEU A 70 -8.122 6.881 3.712 1.00 64.10 H new ATOM 0 HA LEU A 70 -7.617 9.561 4.445 1.00 65.20 H new ATOM 0 HB2 LEU A 70 -6.578 7.919 2.103 1.00 43.10 H new ATOM 0 HB3 LEU A 70 -5.862 9.403 2.701 1.00 43.10 H new ATOM 0 HG LEU A 70 -6.130 6.861 4.333 1.00 33.20 H new ATOM 0 HD11 LEU A 70 -3.711 6.587 3.954 1.00 13.20 H new ATOM 0 HD12 LEU A 70 -4.630 6.514 2.432 1.00 13.20 H new ATOM 0 HD13 LEU A 70 -3.729 7.989 2.857 1.00 13.20 H new ATOM 0 HD21 LEU A 70 -4.518 7.966 5.834 1.00 11.40 H new ATOM 0 HD22 LEU A 70 -4.569 9.420 4.810 1.00 11.40 H new ATOM 0 HD23 LEU A 70 -6.027 8.897 5.685 1.00 11.40 H new ATOM 1154 N LYS A 71 -9.182 9.094 1.593 1.00 52.10 N ATOM 1155 CA LYS A 71 -9.935 9.769 0.542 1.00 71.40 C ATOM 1156 C LYS A 71 -11.130 10.512 1.120 1.00 13.00 C ATOM 1157 O LYS A 71 -11.370 11.676 0.798 1.00 22.20 O ATOM 1158 CB LYS A 71 -10.400 8.760 -0.509 1.00 34.10 C ATOM 1159 CG LYS A 71 -10.360 9.298 -1.929 1.00 32.10 C ATOM 1160 CD LYS A 71 -11.420 8.656 -2.800 1.00 4.54 C ATOM 1161 CE LYS A 71 -11.060 8.728 -4.273 1.00 74.20 C ATOM 1162 NZ LYS A 71 -12.250 8.983 -5.128 1.00 22.40 N ATOM 0 H LYS A 71 -9.214 8.076 1.547 1.00 52.10 H new ATOM 0 HA LYS A 71 -9.277 10.497 0.068 1.00 71.40 H new ATOM 0 HB2 LYS A 71 -9.773 7.870 -0.449 1.00 34.10 H new ATOM 0 HB3 LYS A 71 -11.418 8.449 -0.276 1.00 34.10 H new ATOM 0 HG2 LYS A 71 -10.506 10.378 -1.913 1.00 32.10 H new ATOM 0 HG3 LYS A 71 -9.375 9.116 -2.360 1.00 32.10 H new ATOM 0 HD2 LYS A 71 -11.548 7.614 -2.508 1.00 4.54 H new ATOM 0 HD3 LYS A 71 -12.376 9.153 -2.635 1.00 4.54 H new ATOM 0 HE2 LYS A 71 -10.326 9.519 -4.428 1.00 74.20 H new ATOM 0 HE3 LYS A 71 -10.589 7.793 -4.577 1.00 74.20 H new ATOM 0 HZ1 LYS A 71 -11.958 9.024 -6.125 1.00 22.40 H new ATOM 0 HZ2 LYS A 71 -12.940 8.215 -5.001 1.00 22.40 H new ATOM 0 HZ3 LYS A 71 -12.685 9.888 -4.857 1.00 22.40 H new ATOM 1176 N ASP A 72 -11.890 9.831 1.974 1.00 60.30 N ATOM 1177 CA ASP A 72 -13.060 10.427 2.595 1.00 43.40 C ATOM 1178 C ASP A 72 -12.680 11.617 3.468 1.00 70.10 C ATOM 1179 O ASP A 72 -13.470 12.547 3.648 1.00 1.22 O ATOM 1180 CB ASP A 72 -13.810 9.384 3.433 1.00 44.20 C ATOM 1181 CG ASP A 72 -14.880 8.667 2.643 1.00 64.10 C ATOM 1182 OD1 ASP A 72 -15.990 9.230 2.498 1.00 53.00 O ATOM 1183 OD2 ASP A 72 -14.620 7.541 2.169 1.00 65.10 O ATOM 0 H ASP A 72 -11.713 8.865 2.249 1.00 60.30 H new ATOM 0 HA ASP A 72 -13.712 10.784 1.798 1.00 43.40 H new ATOM 0 HB2 ASP A 72 -13.099 8.654 3.820 1.00 44.20 H new ATOM 0 HB3 ASP A 72 -14.265 9.874 4.294 1.00 44.20 H new ATOM 1188 N TYR A 73 -11.470 11.581 4.013 1.00 32.40 N ATOM 1189 CA TYR A 73 -10.980 12.656 4.871 1.00 1.14 C ATOM 1190 C TYR A 73 -10.670 13.910 4.060 1.00 42.40 C ATOM 1191 O TYR A 73 -11.110 15.008 4.402 1.00 65.00 O ATOM 1192 CB TYR A 73 -9.740 12.206 5.632 1.00 42.50 C ATOM 1193 CG TYR A 73 -9.228 13.233 6.617 1.00 31.10 C ATOM 1194 CD1 TYR A 73 -8.475 14.318 6.189 1.00 52.10 C ATOM 1195 CD2 TYR A 73 -9.497 13.116 7.975 1.00 21.30 C ATOM 1196 CE1 TYR A 73 -8.004 15.259 7.086 1.00 4.21 C ATOM 1197 CE2 TYR A 73 -9.031 14.052 8.879 1.00 73.40 C ATOM 1198 CZ TYR A 73 -8.286 15.122 8.429 1.00 23.40 C ATOM 1199 OH TYR A 73 -7.820 16.056 9.325 1.00 44.30 O ATOM 0 H TYR A 73 -10.808 10.817 3.876 1.00 32.40 H new ATOM 0 HA TYR A 73 -11.767 12.898 5.586 1.00 1.14 H new ATOM 0 HB2 TYR A 73 -9.967 11.284 6.167 1.00 42.50 H new ATOM 0 HB3 TYR A 73 -8.950 11.974 4.918 1.00 42.50 H new ATOM 0 HD1 TYR A 73 -8.253 14.429 5.138 1.00 52.10 H new ATOM 0 HD2 TYR A 73 -10.080 12.279 8.330 1.00 21.30 H new ATOM 0 HE1 TYR A 73 -7.419 16.097 6.737 1.00 4.21 H new ATOM 0 HE2 TYR A 73 -9.249 13.946 9.931 1.00 73.40 H new ATOM 0 HH TYR A 73 -8.107 15.813 10.230 1.00 44.30 H new ATOM 1209 N LEU A 74 -9.911 13.742 2.987 1.00 70.50 N ATOM 1210 CA LEU A 74 -9.539 14.864 2.132 1.00 2.13 C ATOM 1211 C LEU A 74 -10.710 15.315 1.275 1.00 32.40 C ATOM 1212 O LEU A 74 -10.920 16.510 1.061 1.00 61.40 O ATOM 1213 CB LEU A 74 -8.358 14.483 1.237 1.00 61.30 C ATOM 1214 CG LEU A 74 -8.640 13.366 0.231 1.00 33.40 C ATOM 1215 CD1 LEU A 74 -9.123 13.947 -1.089 1.00 52.10 C ATOM 1216 CD2 LEU A 74 -7.399 12.513 0.018 1.00 61.20 C ATOM 0 H LEU A 74 -9.540 12.841 2.686 1.00 70.50 H new ATOM 0 HA LEU A 74 -9.248 15.692 2.778 1.00 2.13 H new ATOM 0 HB2 LEU A 74 -8.035 15.369 0.691 1.00 61.30 H new ATOM 0 HB3 LEU A 74 -7.525 14.178 1.871 1.00 61.30 H new ATOM 0 HG LEU A 74 -9.428 12.730 0.635 1.00 33.40 H new ATOM 0 HD11 LEU A 74 -9.319 13.138 -1.793 1.00 52.10 H new ATOM 0 HD12 LEU A 74 -10.039 14.514 -0.924 1.00 52.10 H new ATOM 0 HD13 LEU A 74 -8.358 14.606 -1.498 1.00 52.10 H new ATOM 0 HD21 LEU A 74 -7.619 11.724 -0.701 1.00 61.20 H new ATOM 0 HD22 LEU A 74 -6.590 13.136 -0.364 1.00 61.20 H new ATOM 0 HD23 LEU A 74 -7.097 12.067 0.966 1.00 61.20 H new ATOM 1228 N ARG A 75 -11.490 14.353 0.788 1.00 61.30 N ATOM 1229 CA ARG A 75 -12.650 14.654 -0.046 1.00 73.20 C ATOM 1230 C ARG A 75 -13.660 15.508 0.716 1.00 61.10 C ATOM 1231 O ARG A 75 -14.070 16.567 0.243 1.00 62.40 O ATOM 1232 CB ARG A 75 -13.310 13.361 -0.522 1.00 42.20 C ATOM 1233 CG ARG A 75 -12.610 12.719 -1.709 1.00 20.30 C ATOM 1234 CD ARG A 75 -13.610 12.097 -2.674 1.00 52.30 C ATOM 1235 NE ARG A 75 -13.830 12.937 -3.848 1.00 1.41 N ATOM 1236 CZ ARG A 75 -14.880 12.815 -4.659 1.00 43.50 C ATOM 1237 NH1 ARG A 75 -15.800 11.888 -4.427 1.00 65.50 N ATOM 1238 NH2 ARG A 75 -15.010 13.620 -5.704 1.00 54.00 N ATOM 0 H ARG A 75 -11.340 13.358 0.957 1.00 61.30 H new ATOM 0 HA ARG A 75 -12.308 15.218 -0.914 1.00 73.20 H new ATOM 0 HB2 ARG A 75 -13.333 12.650 0.304 1.00 42.20 H new ATOM 0 HB3 ARG A 75 -14.345 13.570 -0.791 1.00 42.20 H new ATOM 0 HG2 ARG A 75 -12.016 13.468 -2.232 1.00 20.30 H new ATOM 0 HG3 ARG A 75 -11.919 11.954 -1.355 1.00 20.30 H new ATOM 0 HD2 ARG A 75 -13.248 11.119 -2.990 1.00 52.30 H new ATOM 0 HD3 ARG A 75 -14.558 11.936 -2.160 1.00 52.30 H new ATOM 0 HE ARG A 75 -13.140 13.658 -4.059 1.00 1.41 H new ATOM 0 HH11 ARG A 75 -15.705 11.265 -3.625 1.00 65.50 H new ATOM 0 HH12 ARG A 75 -16.602 11.798 -5.051 1.00 65.50 H new ATOM 0 HH21 ARG A 75 -14.306 14.334 -5.888 1.00 54.00 H new ATOM 0 HH22 ARG A 75 -15.814 13.525 -6.324 1.00 54.00 H new ATOM 1252 N SER A 76 -14.050 15.039 1.895 1.00 4.10 N ATOM 1253 CA SER A 76 -15.010 15.759 2.722 1.00 74.30 C ATOM 1254 C SER A 76 -14.490 17.146 3.083 1.00 5.15 C ATOM 1255 O SER A 76 -15.180 18.149 2.890 1.00 60.40 O ATOM 1256 CB SER A 76 -15.310 14.968 3.995 1.00 13.20 C ATOM 1257 OG SER A 76 -16.570 15.331 4.538 1.00 62.10 O ATOM 0 H SER A 76 -13.717 14.164 2.300 1.00 4.10 H new ATOM 0 HA SER A 76 -15.929 15.875 2.148 1.00 74.30 H new ATOM 0 HB2 SER A 76 -15.300 13.901 3.774 1.00 13.20 H new ATOM 0 HB3 SER A 76 -14.527 15.149 4.732 1.00 13.20 H new ATOM 0 HG SER A 76 -16.739 14.810 5.350 1.00 62.10 H new