USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 401 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 51 GLN :FLIP amide:sc= -0.334 F(o=-3.4,f=-0.35) USER MOD Set 1.2: A 54 ASN : amide:sc= -0.0176 K(o=-0.35,f=-2.5!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 12 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.045) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0363 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -5.82! C(o=-8.7!,f=-5.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 42:sc= 1.26 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 44 SER OG : rot 180:sc= -0.212 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.0416 F(o=-0.72,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 8.443 -0.026 -11.684 1.00 0.00 N ATOM 81 CA ALA A 9 8.036 -1.250 -11.005 1.00 0.00 C ATOM 82 C ALA A 9 8.259 -1.143 -9.500 1.00 0.00 C ATOM 83 O ALA A 9 8.176 -2.138 -8.780 1.00 0.00 O ATOM 84 CB ALA A 9 8.791 -2.444 -11.569 1.00 0.00 C ATOM 0 HA ALA A 9 6.970 -1.394 -11.179 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.476 -3.351 -11.052 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.577 -2.540 -12.633 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.862 -2.298 -11.426 1.00 0.00 H new ATOM 90 N GLN A 10 8.544 0.068 -9.033 1.00 0.00 N ATOM 91 CA GLN A 10 8.781 0.303 -7.614 1.00 0.00 C ATOM 92 C GLN A 10 7.542 -0.036 -6.792 1.00 0.00 C ATOM 93 O GLN A 10 6.416 -0.034 -7.291 1.00 0.00 O ATOM 94 CB GLN A 10 9.183 1.760 -7.376 1.00 0.00 C ATOM 95 CG GLN A 10 10.651 2.039 -7.652 1.00 0.00 C ATOM 96 CD GLN A 10 11.160 3.265 -6.919 1.00 0.00 C ATOM 97 OE1 GLN A 10 10.459 4.271 -6.809 1.00 0.00 O ATOM 98 NE2 GLN A 10 12.385 3.187 -6.414 1.00 0.00 N ATOM 0 H GLN A 10 8.616 0.901 -9.617 1.00 0.00 H new ATOM 0 HA GLN A 10 9.596 -0.347 -7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.574 2.404 -8.010 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.959 2.026 -6.343 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.243 1.173 -7.358 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.796 2.175 -8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.931 2.333 -6.529 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.781 3.981 -5.911 1.00 0.00 H new ATOM 107 N PRO A 11 7.751 -0.335 -5.501 1.00 0.00 N ATOM 108 CA PRO A 11 6.663 -0.681 -4.582 1.00 0.00 C ATOM 109 C PRO A 11 5.772 0.514 -4.262 1.00 0.00 C ATOM 110 O PRO A 11 4.588 0.356 -3.968 1.00 0.00 O ATOM 111 CB PRO A 11 7.397 -1.153 -3.324 1.00 0.00 C ATOM 112 CG PRO A 11 8.720 -0.471 -3.380 1.00 0.00 C ATOM 113 CD PRO A 11 9.066 -0.357 -4.839 1.00 0.00 C ATOM 0 HA PRO A 11 5.993 -1.429 -5.007 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.850 -0.882 -2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.510 -2.237 -3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.672 0.512 -2.912 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.477 -1.043 -2.843 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.636 0.549 -5.047 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.671 -1.199 -5.175 1.00 0.00 H new ATOM 121 N ASN A 12 6.349 1.710 -4.322 1.00 0.00 N ATOM 122 CA ASN A 12 5.606 2.932 -4.038 1.00 0.00 C ATOM 123 C ASN A 12 5.098 3.571 -5.327 1.00 0.00 C ATOM 124 O ASN A 12 3.953 4.016 -5.401 1.00 0.00 O ATOM 125 CB ASN A 12 6.488 3.925 -3.277 1.00 0.00 C ATOM 126 CG ASN A 12 7.461 3.234 -2.342 1.00 0.00 C ATOM 127 OD1 ASN A 12 8.630 3.611 -2.255 1.00 0.00 O ATOM 128 ND2 ASN A 12 6.982 2.216 -1.636 1.00 0.00 N ATOM 0 H ASN A 12 7.328 1.859 -4.565 1.00 0.00 H new ATOM 0 HA ASN A 12 4.748 2.670 -3.419 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.044 4.534 -3.990 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.856 4.603 -2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.590 1.713 -0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.006 1.938 -1.740 1.00 0.00 H new ATOM 135 N ALA A 13 5.957 3.612 -6.340 1.00 0.00 N ATOM 136 CA ALA A 13 5.594 4.193 -7.626 1.00 0.00 C ATOM 137 C ALA A 13 4.252 3.656 -8.113 1.00 0.00 C ATOM 138 O ALA A 13 3.349 4.425 -8.445 1.00 0.00 O ATOM 139 CB ALA A 13 6.680 3.916 -8.656 1.00 0.00 C ATOM 0 H ALA A 13 6.909 3.250 -6.295 1.00 0.00 H new ATOM 0 HA ALA A 13 5.498 5.271 -7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.396 4.356 -9.612 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.620 4.354 -8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.803 2.839 -8.774 1.00 0.00 H new ATOM 145 N ILE A 14 4.129 2.334 -8.152 1.00 0.00 N ATOM 146 CA ILE A 14 2.896 1.695 -8.598 1.00 0.00 C ATOM 147 C ILE A 14 1.725 2.071 -7.696 1.00 0.00 C ATOM 148 O ILE A 14 0.733 2.641 -8.153 1.00 0.00 O ATOM 149 CB ILE A 14 3.036 0.162 -8.627 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.238 -0.247 -9.480 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.761 -0.476 -9.159 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.593 -1.712 -9.361 1.00 0.00 C ATOM 0 H ILE A 14 4.867 1.684 -7.881 1.00 0.00 H new ATOM 0 HA ILE A 14 2.702 2.053 -9.609 1.00 0.00 H new ATOM 0 HB ILE A 14 3.200 -0.192 -7.609 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.027 -0.016 -10.524 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.101 0.352 -9.189 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.875 -1.560 -9.174 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.924 -0.208 -8.515 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.570 -0.118 -10.170 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.454 -1.930 -9.993 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.835 -1.945 -8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.746 -2.319 -9.680 1.00 0.00 H new ATOM 164 N LEU A 15 1.847 1.751 -6.413 1.00 0.00 N ATOM 165 CA LEU A 15 0.799 2.056 -5.445 1.00 0.00 C ATOM 166 C LEU A 15 0.309 3.491 -5.608 1.00 0.00 C ATOM 167 O LEU A 15 -0.891 3.758 -5.544 1.00 0.00 O ATOM 168 CB LEU A 15 1.314 1.840 -4.021 1.00 0.00 C ATOM 169 CG LEU A 15 1.124 0.437 -3.443 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.023 0.231 -2.234 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.334 0.207 -3.072 1.00 0.00 C ATOM 0 H LEU A 15 2.661 1.280 -6.018 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.038 1.382 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.377 2.078 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.815 2.552 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 15 1.404 -0.290 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.874 -0.773 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.065 0.353 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.776 0.965 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.451 -0.796 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.640 0.941 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.956 0.311 -3.961 1.00 0.00 H new ATOM 183 N GLU A 16 1.245 4.410 -5.822 1.00 0.00 N ATOM 184 CA GLU A 16 0.906 5.818 -5.997 1.00 0.00 C ATOM 185 C GLU A 16 0.140 6.036 -7.298 1.00 0.00 C ATOM 186 O GLU A 16 -0.662 6.964 -7.412 1.00 0.00 O ATOM 187 CB GLU A 16 2.174 6.675 -5.989 1.00 0.00 C ATOM 188 CG GLU A 16 1.935 8.111 -5.555 1.00 0.00 C ATOM 189 CD GLU A 16 3.220 8.837 -5.207 1.00 0.00 C ATOM 190 OE1 GLU A 16 4.030 8.276 -4.440 1.00 0.00 O ATOM 191 OE2 GLU A 16 3.415 9.967 -5.702 1.00 0.00 O ATOM 0 H GLU A 16 2.243 4.206 -5.878 1.00 0.00 H new ATOM 0 HA GLU A 16 0.268 6.118 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.906 6.220 -5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.609 6.674 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.424 8.648 -6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.272 8.120 -4.690 1.00 0.00 H new ATOM 198 N LYS A 17 0.392 5.175 -8.278 1.00 0.00 N ATOM 199 CA LYS A 17 -0.273 5.271 -9.572 1.00 0.00 C ATOM 200 C LYS A 17 -1.711 4.770 -9.483 1.00 0.00 C ATOM 201 O LYS A 17 -2.644 5.451 -9.909 1.00 0.00 O ATOM 202 CB LYS A 17 0.494 4.466 -10.624 1.00 0.00 C ATOM 203 CG LYS A 17 -0.297 4.221 -11.897 1.00 0.00 C ATOM 204 CD LYS A 17 0.572 3.607 -12.983 1.00 0.00 C ATOM 205 CE LYS A 17 0.671 2.097 -12.830 1.00 0.00 C ATOM 206 NZ LYS A 17 1.599 1.499 -13.829 1.00 0.00 N ATOM 0 H LYS A 17 1.053 4.402 -8.200 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.289 6.320 -9.867 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.414 4.994 -10.874 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.783 3.506 -10.195 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.136 3.559 -11.683 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.716 5.162 -12.253 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.158 3.848 -13.962 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.570 4.044 -12.943 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.015 1.855 -11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.319 1.655 -12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.639 0.469 -13.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.257 1.708 -14.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.550 1.902 -13.705 1.00 0.00 H new ATOM 220 N VAL A 18 -1.884 3.576 -8.924 1.00 0.00 N ATOM 221 CA VAL A 18 -3.209 2.985 -8.777 1.00 0.00 C ATOM 222 C VAL A 18 -4.039 3.747 -7.751 1.00 0.00 C ATOM 223 O VAL A 18 -5.228 3.479 -7.575 1.00 0.00 O ATOM 224 CB VAL A 18 -3.120 1.507 -8.353 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.492 0.980 -7.963 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.516 0.668 -9.469 1.00 0.00 C ATOM 0 H VAL A 18 -1.123 2.999 -8.566 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.694 3.047 -9.751 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.468 1.436 -7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.409 -0.066 -7.666 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.883 1.564 -7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.169 1.064 -8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.461 -0.373 -9.152 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.140 0.744 -10.360 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.514 1.032 -9.696 1.00 0.00 H new ATOM 236 N PHE A 19 -3.406 4.700 -7.075 1.00 0.00 N ATOM 237 CA PHE A 19 -4.086 5.502 -6.065 1.00 0.00 C ATOM 238 C PHE A 19 -4.876 6.636 -6.712 1.00 0.00 C ATOM 239 O PHE A 19 -5.963 6.992 -6.255 1.00 0.00 O ATOM 240 CB PHE A 19 -3.073 6.074 -5.070 1.00 0.00 C ATOM 241 CG PHE A 19 -3.701 6.895 -3.980 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.069 8.211 -4.211 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.924 6.351 -2.726 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.648 8.969 -3.210 1.00 0.00 C ATOM 245 CE2 PHE A 19 -4.502 7.104 -1.721 1.00 0.00 C ATOM 246 CZ PHE A 19 -4.864 8.415 -1.964 1.00 0.00 C ATOM 0 H PHE A 19 -2.423 4.936 -7.209 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.783 4.855 -5.532 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.515 5.253 -4.620 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.354 6.690 -5.610 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.902 8.649 -5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.643 5.327 -2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.931 9.993 -3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.670 6.668 -0.747 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.315 9.006 -1.180 1.00 0.00 H new ATOM 256 N THR A 20 -4.321 7.202 -7.780 1.00 0.00 N ATOM 257 CA THR A 20 -4.970 8.296 -8.489 1.00 0.00 C ATOM 258 C THR A 20 -5.513 7.833 -9.836 1.00 0.00 C ATOM 259 O THR A 20 -6.608 8.220 -10.242 1.00 0.00 O ATOM 260 CB THR A 20 -4.002 9.473 -8.716 1.00 0.00 C ATOM 261 OG1 THR A 20 -2.919 9.061 -9.558 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.455 9.986 -7.392 1.00 0.00 C ATOM 0 H THR A 20 -3.423 6.920 -8.172 1.00 0.00 H new ATOM 0 HA THR A 20 -5.797 8.631 -7.862 1.00 0.00 H new ATOM 0 HB THR A 20 -4.552 10.279 -9.201 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.309 9.815 -9.699 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.774 10.817 -7.577 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.279 10.325 -6.765 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.919 9.184 -6.884 1.00 0.00 H new ATOM 270 N ALA A 21 -4.739 7.000 -10.526 1.00 0.00 N ATOM 271 CA ALA A 21 -5.144 6.482 -11.827 1.00 0.00 C ATOM 272 C ALA A 21 -6.408 5.636 -11.711 1.00 0.00 C ATOM 273 O ALA A 21 -7.268 5.666 -12.592 1.00 0.00 O ATOM 274 CB ALA A 21 -4.016 5.668 -12.444 1.00 0.00 C ATOM 0 H ALA A 21 -3.829 6.670 -10.205 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.364 7.329 -12.477 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.331 5.287 -13.415 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.138 6.301 -12.570 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.770 4.832 -11.789 1.00 0.00 H new ATOM 280 N ILE A 22 -6.513 4.884 -10.621 1.00 0.00 N ATOM 281 CA ILE A 22 -7.672 4.030 -10.392 1.00 0.00 C ATOM 282 C ILE A 22 -8.555 4.589 -9.281 1.00 0.00 C ATOM 283 O ILE A 22 -9.689 5.005 -9.523 1.00 0.00 O ATOM 284 CB ILE A 22 -7.251 2.595 -10.025 1.00 0.00 C ATOM 285 CG1 ILE A 22 -6.189 2.087 -11.001 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.461 1.673 -10.022 1.00 0.00 C ATOM 287 CD1 ILE A 22 -5.803 0.641 -10.776 1.00 0.00 C ATOM 0 H ILE A 22 -5.810 4.849 -9.883 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.236 4.006 -11.325 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.822 2.602 -9.023 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.559 2.201 -12.020 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.299 2.710 -10.913 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.148 0.662 -9.761 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.187 2.028 -9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.916 1.667 -11.012 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.046 0.349 -11.504 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.402 0.524 -9.769 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.682 0.007 -10.893 1.00 0.00 H new ATOM 299 N THR A 23 -8.027 4.598 -8.061 1.00 0.00 N ATOM 300 CA THR A 23 -8.766 5.106 -6.912 1.00 0.00 C ATOM 301 C THR A 23 -7.896 5.116 -5.660 1.00 0.00 C ATOM 302 O THR A 23 -6.916 4.376 -5.566 1.00 0.00 O ATOM 303 CB THR A 23 -10.028 4.267 -6.640 1.00 0.00 C ATOM 304 OG1 THR A 23 -10.781 4.847 -5.569 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.660 2.833 -6.288 1.00 0.00 C ATOM 0 H THR A 23 -7.090 4.259 -7.843 1.00 0.00 H new ATOM 0 HA THR A 23 -9.063 6.127 -7.153 1.00 0.00 H new ATOM 0 HB THR A 23 -10.633 4.258 -7.547 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.583 4.308 -5.404 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.568 2.260 -6.100 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.112 2.384 -7.117 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.036 2.826 -5.395 1.00 0.00 H new ATOM 313 N LYS A 24 -8.261 5.958 -4.699 1.00 0.00 N ATOM 314 CA LYS A 24 -7.515 6.064 -3.450 1.00 0.00 C ATOM 315 C LYS A 24 -7.866 4.916 -2.509 1.00 0.00 C ATOM 316 O LYS A 24 -6.996 4.366 -1.833 1.00 0.00 O ATOM 317 CB LYS A 24 -7.807 7.403 -2.770 1.00 0.00 C ATOM 318 CG LYS A 24 -7.743 8.592 -3.714 1.00 0.00 C ATOM 319 CD LYS A 24 -7.988 9.900 -2.981 1.00 0.00 C ATOM 320 CE LYS A 24 -7.991 11.083 -3.937 1.00 0.00 C ATOM 321 NZ LYS A 24 -9.346 11.335 -4.502 1.00 0.00 N ATOM 0 H LYS A 24 -9.069 6.577 -4.761 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.452 6.007 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.798 7.362 -2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.092 7.553 -1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.766 8.622 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.485 8.472 -4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.943 9.852 -2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.217 10.044 -2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.644 11.974 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.288 10.896 -4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.307 12.149 -5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.667 10.494 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.012 11.539 -3.729 1.00 0.00 H new ATOM 335 N HIS A 25 -9.146 4.559 -2.470 1.00 0.00 N ATOM 336 CA HIS A 25 -9.611 3.474 -1.612 1.00 0.00 C ATOM 337 C HIS A 25 -9.991 2.251 -2.441 1.00 0.00 C ATOM 338 O HIS A 25 -11.164 2.001 -2.721 1.00 0.00 O ATOM 339 CB HIS A 25 -10.808 3.933 -0.779 1.00 0.00 C ATOM 340 CG HIS A 25 -10.685 5.339 -0.277 1.00 0.00 C ATOM 341 ND1 HIS A 25 -10.662 6.517 -0.943 1.00 0.00 N flip ATOM 342 CD2 HIS A 25 -10.567 5.653 1.060 1.00 0.00 C flip ATOM 343 CE1 HIS A 25 -10.532 7.512 -0.005 1.00 0.00 C flip ATOM 344 NE2 HIS A 25 -10.477 6.964 1.196 1.00 0.00 N flip ATOM 0 H HIS A 25 -9.879 5.004 -3.022 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.797 3.198 -0.942 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.713 3.849 -1.381 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.927 3.262 0.071 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.551 4.939 1.870 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.483 8.570 -0.215 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.381 7.467 2.078 1.00 0.00 H new ATOM 353 N PRO A 26 -8.978 1.470 -2.843 1.00 0.00 N ATOM 354 CA PRO A 26 -9.181 0.260 -3.646 1.00 0.00 C ATOM 355 C PRO A 26 -9.855 -0.855 -2.853 1.00 0.00 C ATOM 356 O PRO A 26 -9.929 -0.799 -1.625 1.00 0.00 O ATOM 357 CB PRO A 26 -7.760 -0.147 -4.040 1.00 0.00 C ATOM 358 CG PRO A 26 -6.891 0.428 -2.975 1.00 0.00 C ATOM 359 CD PRO A 26 -7.555 1.707 -2.546 1.00 0.00 C ATOM 0 HA PRO A 26 -9.838 0.441 -4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.659 -1.231 -4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.494 0.244 -5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.793 -0.261 -2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.886 0.617 -3.351 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.394 1.908 -1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.167 2.565 -3.096 1.00 0.00 H new ATOM 367 N ASP A 27 -10.344 -1.866 -3.562 1.00 0.00 N ATOM 368 CA ASP A 27 -11.010 -2.996 -2.924 1.00 0.00 C ATOM 369 C ASP A 27 -10.041 -4.157 -2.726 1.00 0.00 C ATOM 370 O ASP A 27 -8.901 -4.111 -3.186 1.00 0.00 O ATOM 371 CB ASP A 27 -12.205 -3.450 -3.763 1.00 0.00 C ATOM 372 CG ASP A 27 -13.448 -2.624 -3.496 1.00 0.00 C ATOM 373 OD1 ASP A 27 -13.393 -1.391 -3.687 1.00 0.00 O ATOM 374 OD2 ASP A 27 -14.475 -3.209 -3.094 1.00 0.00 O ATOM 0 H ASP A 27 -10.292 -1.927 -4.579 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.365 -2.672 -1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.949 -3.384 -4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.417 -4.498 -3.551 1.00 0.00 H new ATOM 379 N GLU A 28 -10.503 -5.196 -2.036 1.00 0.00 N ATOM 380 CA GLU A 28 -9.675 -6.367 -1.776 1.00 0.00 C ATOM 381 C GLU A 28 -9.051 -6.890 -3.066 1.00 0.00 C ATOM 382 O GLU A 28 -7.834 -7.054 -3.159 1.00 0.00 O ATOM 383 CB GLU A 28 -10.507 -7.470 -1.116 1.00 0.00 C ATOM 384 CG GLU A 28 -9.671 -8.606 -0.551 1.00 0.00 C ATOM 385 CD GLU A 28 -10.497 -9.594 0.251 1.00 0.00 C ATOM 386 OE1 GLU A 28 -11.239 -9.153 1.153 1.00 0.00 O ATOM 387 OE2 GLU A 28 -10.399 -10.808 -0.024 1.00 0.00 O ATOM 0 H GLU A 28 -11.445 -5.250 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.874 -6.071 -1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.102 -7.034 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.206 -7.874 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.177 -9.130 -1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.886 -8.194 0.084 1.00 0.00 H new ATOM 394 N LYS A 29 -9.892 -7.151 -4.061 1.00 0.00 N ATOM 395 CA LYS A 29 -9.425 -7.655 -5.347 1.00 0.00 C ATOM 396 C LYS A 29 -8.256 -6.823 -5.865 1.00 0.00 C ATOM 397 O LYS A 29 -7.149 -7.333 -6.039 1.00 0.00 O ATOM 398 CB LYS A 29 -10.566 -7.642 -6.367 1.00 0.00 C ATOM 399 CG LYS A 29 -11.527 -8.809 -6.220 1.00 0.00 C ATOM 400 CD LYS A 29 -12.231 -9.119 -7.530 1.00 0.00 C ATOM 401 CE LYS A 29 -13.388 -8.164 -7.781 1.00 0.00 C ATOM 402 NZ LYS A 29 -14.237 -8.608 -8.921 1.00 0.00 N ATOM 0 H LYS A 29 -10.902 -7.022 -4.001 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.084 -8.680 -5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.122 -6.710 -6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.144 -7.654 -7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.982 -9.690 -5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.267 -8.578 -5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.518 -9.052 -8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.601 -10.144 -7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.999 -8.089 -6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.998 -7.167 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.014 -7.931 -9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.661 -8.655 -9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.630 -9.549 -8.715 1.00 0.00 H new ATOM 416 N ARG A 30 -8.509 -5.541 -6.107 1.00 0.00 N ATOM 417 CA ARG A 30 -7.477 -4.639 -6.604 1.00 0.00 C ATOM 418 C ARG A 30 -6.137 -4.924 -5.932 1.00 0.00 C ATOM 419 O ARG A 30 -5.136 -5.179 -6.603 1.00 0.00 O ATOM 420 CB ARG A 30 -7.882 -3.184 -6.363 1.00 0.00 C ATOM 421 CG ARG A 30 -7.271 -2.209 -7.356 1.00 0.00 C ATOM 422 CD ARG A 30 -8.148 -0.980 -7.542 1.00 0.00 C ATOM 423 NE ARG A 30 -9.324 -1.266 -8.358 1.00 0.00 N ATOM 424 CZ ARG A 30 -9.269 -1.542 -9.656 1.00 0.00 C ATOM 425 NH1 ARG A 30 -8.100 -1.570 -10.282 1.00 0.00 N ATOM 426 NH2 ARG A 30 -10.383 -1.791 -10.331 1.00 0.00 N ATOM 0 H ARG A 30 -9.420 -5.104 -5.967 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.369 -4.806 -7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.968 -3.105 -6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.586 -2.896 -5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.284 -1.904 -7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.131 -2.706 -8.316 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.465 -0.610 -6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.566 -0.187 -8.011 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.239 -1.253 -7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.241 -1.379 -9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.060 -1.782 -11.279 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.284 -1.771 -9.853 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.339 -2.003 -11.328 1.00 0.00 H new ATOM 440 N LEU A 31 -6.125 -4.878 -4.605 1.00 0.00 N ATOM 441 CA LEU A 31 -4.908 -5.130 -3.841 1.00 0.00 C ATOM 442 C LEU A 31 -4.257 -6.441 -4.271 1.00 0.00 C ATOM 443 O LEU A 31 -3.094 -6.464 -4.674 1.00 0.00 O ATOM 444 CB LEU A 31 -5.220 -5.170 -2.344 1.00 0.00 C ATOM 445 CG LEU A 31 -6.020 -3.989 -1.794 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.871 -4.425 -0.611 1.00 0.00 C ATOM 447 CD2 LEU A 31 -5.088 -2.854 -1.393 1.00 0.00 C ATOM 0 H LEU A 31 -6.945 -4.668 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.210 -4.316 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.771 -6.086 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.278 -5.231 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.684 -3.628 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.433 -3.571 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.564 -5.204 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.226 -4.813 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.675 -2.022 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.399 -3.203 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.522 -2.523 -2.264 1.00 0.00 H new ATOM 459 N GLU A 32 -5.016 -7.529 -4.186 1.00 0.00 N ATOM 460 CA GLU A 32 -4.512 -8.843 -4.568 1.00 0.00 C ATOM 461 C GLU A 32 -3.583 -8.740 -5.774 1.00 0.00 C ATOM 462 O GLU A 32 -2.550 -9.405 -5.833 1.00 0.00 O ATOM 463 CB GLU A 32 -5.674 -9.787 -4.885 1.00 0.00 C ATOM 464 CG GLU A 32 -6.570 -10.072 -3.691 1.00 0.00 C ATOM 465 CD GLU A 32 -6.108 -11.274 -2.890 1.00 0.00 C ATOM 466 OE1 GLU A 32 -4.883 -11.510 -2.828 1.00 0.00 O ATOM 467 OE2 GLU A 32 -6.971 -11.978 -2.325 1.00 0.00 O ATOM 0 H GLU A 32 -5.981 -7.527 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.945 -9.245 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.275 -9.354 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.274 -10.729 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.595 -9.196 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.589 -10.241 -4.038 1.00 0.00 H new ATOM 474 N GLY A 33 -3.959 -7.900 -6.733 1.00 0.00 N ATOM 475 CA GLY A 33 -3.150 -7.725 -7.925 1.00 0.00 C ATOM 476 C GLY A 33 -1.791 -7.128 -7.620 1.00 0.00 C ATOM 477 O GLY A 33 -0.771 -7.593 -8.131 1.00 0.00 O ATOM 0 H GLY A 33 -4.809 -7.337 -6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.018 -8.689 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.678 -7.080 -8.627 1.00 0.00 H new ATOM 481 N LEU A 34 -1.774 -6.093 -6.788 1.00 0.00 N ATOM 482 CA LEU A 34 -0.530 -5.429 -6.417 1.00 0.00 C ATOM 483 C LEU A 34 0.395 -6.384 -5.669 1.00 0.00 C ATOM 484 O LEU A 34 1.608 -6.378 -5.876 1.00 0.00 O ATOM 485 CB LEU A 34 -0.822 -4.201 -5.551 1.00 0.00 C ATOM 486 CG LEU A 34 -1.034 -2.886 -6.302 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.608 -1.828 -5.373 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.273 -2.406 -6.917 1.00 0.00 C ATOM 0 H LEU A 34 -2.609 -5.695 -6.357 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.031 -5.110 -7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.712 -4.404 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.005 -4.069 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.748 -3.060 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.752 -0.899 -5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.566 -2.169 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.918 -1.656 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.103 -1.469 -7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.010 -2.248 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.644 -3.156 -7.615 1.00 0.00 H new ATOM 500 N SER A 35 -0.187 -7.204 -4.800 1.00 0.00 N ATOM 501 CA SER A 35 0.585 -8.164 -4.020 1.00 0.00 C ATOM 502 C SER A 35 1.757 -8.707 -4.832 1.00 0.00 C ATOM 503 O SER A 35 2.849 -8.919 -4.304 1.00 0.00 O ATOM 504 CB SER A 35 -0.310 -9.317 -3.561 1.00 0.00 C ATOM 505 OG SER A 35 0.457 -10.359 -2.984 1.00 0.00 O ATOM 0 H SER A 35 -1.191 -7.223 -4.618 1.00 0.00 H new ATOM 0 HA SER A 35 0.980 -7.649 -3.144 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.036 -8.951 -2.835 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.874 -9.704 -4.410 1.00 0.00 H new ATOM 0 HG SER A 35 1.148 -9.975 -2.406 1.00 0.00 H new ATOM 511 N LYS A 36 1.522 -8.929 -6.121 1.00 0.00 N ATOM 512 CA LYS A 36 2.557 -9.446 -7.009 1.00 0.00 C ATOM 513 C LYS A 36 3.654 -8.409 -7.227 1.00 0.00 C ATOM 514 O LYS A 36 4.814 -8.639 -6.885 1.00 0.00 O ATOM 515 CB LYS A 36 1.948 -9.851 -8.353 1.00 0.00 C ATOM 516 CG LYS A 36 1.450 -11.285 -8.389 1.00 0.00 C ATOM 517 CD LYS A 36 2.601 -12.276 -8.351 1.00 0.00 C ATOM 518 CE LYS A 36 3.094 -12.611 -9.750 1.00 0.00 C ATOM 519 NZ LYS A 36 4.502 -13.098 -9.740 1.00 0.00 N ATOM 0 H LYS A 36 0.624 -8.759 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 36 3.000 -10.324 -6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.119 -9.182 -8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.694 -9.715 -9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.788 -11.463 -7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.861 -11.444 -9.292 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.421 -11.861 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.280 -13.189 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.449 -13.372 -10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.020 -11.727 -10.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.801 -13.316 -10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.121 -12.362 -9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.568 -13.957 -9.157 1.00 0.00 H new ATOM 533 N GLN A 37 3.279 -7.269 -7.798 1.00 0.00 N ATOM 534 CA GLN A 37 4.233 -6.197 -8.060 1.00 0.00 C ATOM 535 C GLN A 37 4.955 -5.785 -6.781 1.00 0.00 C ATOM 536 O GLN A 37 6.185 -5.745 -6.736 1.00 0.00 O ATOM 537 CB GLN A 37 3.519 -4.988 -8.668 1.00 0.00 C ATOM 538 CG GLN A 37 3.151 -5.172 -10.131 1.00 0.00 C ATOM 539 CD GLN A 37 1.832 -5.896 -10.315 1.00 0.00 C ATOM 540 OE1 GLN A 37 1.803 -7.083 -10.641 1.00 0.00 O ATOM 541 NE2 GLN A 37 0.731 -5.184 -10.106 1.00 0.00 N ATOM 0 H GLN A 37 2.323 -7.064 -8.088 1.00 0.00 H new ATOM 0 HA GLN A 37 4.973 -6.569 -8.769 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.613 -4.786 -8.097 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.159 -4.111 -8.570 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.096 -4.196 -10.613 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.941 -5.731 -10.633 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.802 -4.203 -9.837 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.185 -5.618 -10.214 1.00 0.00 H new ATOM 550 N LEU A 38 4.183 -5.481 -5.744 1.00 0.00 N ATOM 551 CA LEU A 38 4.749 -5.072 -4.463 1.00 0.00 C ATOM 552 C LEU A 38 5.407 -6.253 -3.756 1.00 0.00 C ATOM 553 O LEU A 38 6.287 -6.073 -2.914 1.00 0.00 O ATOM 554 CB LEU A 38 3.662 -4.471 -3.571 1.00 0.00 C ATOM 555 CG LEU A 38 2.678 -3.522 -4.258 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.567 -3.120 -3.301 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.403 -2.292 -4.783 1.00 0.00 C ATOM 0 H LEU A 38 3.164 -5.510 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 38 5.511 -4.317 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.096 -5.287 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.146 -3.933 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 38 2.230 -4.044 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.877 -2.445 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.029 -4.010 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.997 -2.617 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.688 -1.628 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.879 -1.769 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.162 -2.597 -5.503 1.00 0.00 H new ATOM 569 N ASP A 39 4.976 -7.460 -4.106 1.00 0.00 N ATOM 570 CA ASP A 39 5.525 -8.671 -3.508 1.00 0.00 C ATOM 571 C ASP A 39 5.195 -8.740 -2.020 1.00 0.00 C ATOM 572 O ASP A 39 5.910 -9.376 -1.245 1.00 0.00 O ATOM 573 CB ASP A 39 7.040 -8.723 -3.710 1.00 0.00 C ATOM 574 CG ASP A 39 7.647 -10.020 -3.210 1.00 0.00 C ATOM 575 OD1 ASP A 39 6.944 -11.051 -3.235 1.00 0.00 O ATOM 576 OD2 ASP A 39 8.824 -10.003 -2.794 1.00 0.00 O ATOM 0 H ASP A 39 4.248 -7.626 -4.801 1.00 0.00 H new ATOM 0 HA ASP A 39 5.071 -9.529 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.267 -8.604 -4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.502 -7.884 -3.189 1.00 0.00 H new ATOM 581 N TRP A 40 4.110 -8.082 -1.629 1.00 0.00 N ATOM 582 CA TRP A 40 3.686 -8.068 -0.234 1.00 0.00 C ATOM 583 C TRP A 40 2.360 -8.800 -0.061 1.00 0.00 C ATOM 584 O TRP A 40 1.776 -9.285 -1.030 1.00 0.00 O ATOM 585 CB TRP A 40 3.557 -6.629 0.267 1.00 0.00 C ATOM 586 CG TRP A 40 4.739 -5.773 -0.075 1.00 0.00 C ATOM 587 CD1 TRP A 40 6.005 -6.200 -0.358 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.765 -4.345 -0.166 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.817 -5.122 -0.621 1.00 0.00 N ATOM 590 CE2 TRP A 40 6.080 -3.973 -0.510 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.806 -3.343 0.007 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.456 -2.644 -0.683 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.181 -2.025 -0.164 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.496 -1.684 -0.507 1.00 0.00 C ATOM 0 H TRP A 40 3.508 -7.551 -2.258 1.00 0.00 H new ATOM 0 HA TRP A 40 4.444 -8.584 0.355 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.659 -6.183 -0.159 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.425 -6.639 1.349 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.322 -7.232 -0.373 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.807 -5.170 -0.860 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.789 -3.595 0.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.469 -2.380 -0.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.448 -1.243 -0.031 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.757 -0.644 -0.635 1.00 0.00 H new ATOM 605 N ASP A 41 1.889 -8.877 1.179 1.00 0.00 N ATOM 606 CA ASP A 41 0.630 -9.550 1.479 1.00 0.00 C ATOM 607 C ASP A 41 -0.546 -8.588 1.341 1.00 0.00 C ATOM 608 O ASP A 41 -0.428 -7.400 1.640 1.00 0.00 O ATOM 609 CB ASP A 41 0.663 -10.135 2.892 1.00 0.00 C ATOM 610 CG ASP A 41 1.402 -11.457 2.953 1.00 0.00 C ATOM 611 OD1 ASP A 41 0.779 -12.499 2.657 1.00 0.00 O ATOM 612 OD2 ASP A 41 2.602 -11.451 3.296 1.00 0.00 O ATOM 0 H ASP A 41 2.360 -8.482 1.993 1.00 0.00 H new ATOM 0 HA ASP A 41 0.500 -10.361 0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.140 -9.424 3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.358 -10.276 3.248 1.00 0.00 H new ATOM 617 N VAL A 42 -1.680 -9.109 0.884 1.00 0.00 N ATOM 618 CA VAL A 42 -2.878 -8.298 0.706 1.00 0.00 C ATOM 619 C VAL A 42 -3.048 -7.310 1.855 1.00 0.00 C ATOM 620 O VAL A 42 -3.456 -6.167 1.649 1.00 0.00 O ATOM 621 CB VAL A 42 -4.140 -9.174 0.606 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.372 -8.312 0.374 1.00 0.00 C ATOM 623 CG2 VAL A 42 -3.986 -10.206 -0.501 1.00 0.00 C ATOM 0 H VAL A 42 -1.794 -10.090 0.630 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.752 -7.749 -0.227 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.269 -9.703 1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.254 -8.949 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.490 -7.616 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.255 -7.753 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.887 -10.816 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.832 -9.698 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.129 -10.844 -0.287 1.00 0.00 H new ATOM 633 N ARG A 43 -2.732 -7.758 3.065 1.00 0.00 N ATOM 634 CA ARG A 43 -2.850 -6.914 4.248 1.00 0.00 C ATOM 635 C ARG A 43 -1.708 -5.904 4.312 1.00 0.00 C ATOM 636 O ARG A 43 -1.885 -4.780 4.781 1.00 0.00 O ATOM 637 CB ARG A 43 -2.858 -7.772 5.514 1.00 0.00 C ATOM 638 CG ARG A 43 -4.067 -8.687 5.622 1.00 0.00 C ATOM 639 CD ARG A 43 -5.326 -7.908 5.968 1.00 0.00 C ATOM 640 NE ARG A 43 -6.531 -8.718 5.810 1.00 0.00 N ATOM 641 CZ ARG A 43 -6.938 -9.613 6.703 1.00 0.00 C ATOM 642 NH1 ARG A 43 -6.239 -9.812 7.812 1.00 0.00 N ATOM 643 NH2 ARG A 43 -8.045 -10.311 6.488 1.00 0.00 N ATOM 0 H ARG A 43 -2.392 -8.701 3.252 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.791 -6.368 4.181 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.952 -8.377 5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.828 -7.118 6.386 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.211 -9.214 4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.885 -9.444 6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.261 -7.552 6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.395 -7.027 5.329 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.091 -8.589 4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.387 -9.277 7.981 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.553 -10.500 8.496 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.585 -10.161 5.636 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.356 -10.998 7.175 1.00 0.00 H new ATOM 657 N SER A 44 -0.536 -6.314 3.836 1.00 0.00 N ATOM 658 CA SER A 44 0.637 -5.447 3.843 1.00 0.00 C ATOM 659 C SER A 44 0.438 -4.256 2.910 1.00 0.00 C ATOM 660 O SER A 44 0.969 -3.171 3.149 1.00 0.00 O ATOM 661 CB SER A 44 1.881 -6.233 3.427 1.00 0.00 C ATOM 662 OG SER A 44 2.107 -7.328 4.297 1.00 0.00 O ATOM 0 H SER A 44 -0.374 -7.240 3.441 1.00 0.00 H new ATOM 0 HA SER A 44 0.775 -5.073 4.857 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.762 -6.595 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.750 -5.575 3.433 1.00 0.00 H new ATOM 0 HG SER A 44 2.907 -7.815 4.009 1.00 0.00 H new ATOM 668 N ILE A 45 -0.331 -4.468 1.847 1.00 0.00 N ATOM 669 CA ILE A 45 -0.602 -3.413 0.879 1.00 0.00 C ATOM 670 C ILE A 45 -1.483 -2.325 1.483 1.00 0.00 C ATOM 671 O ILE A 45 -1.095 -1.158 1.537 1.00 0.00 O ATOM 672 CB ILE A 45 -1.286 -3.969 -0.384 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.532 -5.197 -0.899 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.363 -2.898 -1.461 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.210 -5.876 -2.069 1.00 0.00 C ATOM 0 H ILE A 45 -0.777 -5.360 1.635 1.00 0.00 H new ATOM 0 HA ILE A 45 0.361 -2.985 0.602 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.301 -4.270 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.473 -4.898 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.424 -5.915 -0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.849 -3.307 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.939 -2.050 -1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.357 -2.568 -1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.620 -6.738 -2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.205 -6.206 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.294 -5.174 -2.898 1.00 0.00 H new ATOM 687 N GLN A 46 -2.669 -2.716 1.937 1.00 0.00 N ATOM 688 CA GLN A 46 -3.605 -1.773 2.538 1.00 0.00 C ATOM 689 C GLN A 46 -2.881 -0.809 3.472 1.00 0.00 C ATOM 690 O GLN A 46 -3.163 0.390 3.483 1.00 0.00 O ATOM 691 CB GLN A 46 -4.695 -2.524 3.306 1.00 0.00 C ATOM 692 CG GLN A 46 -5.539 -3.435 2.429 1.00 0.00 C ATOM 693 CD GLN A 46 -6.235 -4.524 3.220 1.00 0.00 C ATOM 694 OE1 GLN A 46 -6.062 -5.770 2.792 1.00 0.00 O flip ATOM 695 NE2 GLN A 46 -6.922 -4.251 4.204 1.00 0.00 N flip ATOM 0 H GLN A 46 -3.005 -3.679 1.900 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.067 -1.196 1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.230 -3.119 4.092 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.346 -1.801 3.797 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.285 -2.839 1.904 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.905 -3.892 1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.028 -3.280 4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.385 -4.996 4.725 1.00 0.00 H new ATOM 704 N ARG A 47 -1.948 -1.340 4.256 1.00 0.00 N ATOM 705 CA ARG A 47 -1.185 -0.526 5.194 1.00 0.00 C ATOM 706 C ARG A 47 -0.656 0.734 4.516 1.00 0.00 C ATOM 707 O ARG A 47 -0.661 1.816 5.104 1.00 0.00 O ATOM 708 CB ARG A 47 -0.022 -1.333 5.774 1.00 0.00 C ATOM 709 CG ARG A 47 -0.423 -2.235 6.930 1.00 0.00 C ATOM 710 CD ARG A 47 0.786 -2.663 7.748 1.00 0.00 C ATOM 711 NE ARG A 47 1.083 -1.718 8.821 1.00 0.00 N ATOM 712 CZ ARG A 47 0.309 -1.549 9.887 1.00 0.00 C ATOM 713 NH1 ARG A 47 -0.803 -2.258 10.022 1.00 0.00 N ATOM 714 NH2 ARG A 47 0.647 -0.669 10.821 1.00 0.00 N ATOM 0 H ARG A 47 -1.703 -2.330 4.260 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.852 -0.229 6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.416 -1.943 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.753 -0.645 6.113 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.132 -1.712 7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.934 -3.117 6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.605 -3.650 8.174 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.653 -2.753 7.094 1.00 0.00 H new ATOM 0 HE ARG A 47 1.932 -1.157 8.748 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.066 -2.935 9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.396 -2.126 10.842 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.502 -0.122 10.721 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.052 -0.540 11.639 1.00 0.00 H new ATOM 728 N TRP A 48 -0.200 0.586 3.278 1.00 0.00 N ATOM 729 CA TRP A 48 0.334 1.712 2.520 1.00 0.00 C ATOM 730 C TRP A 48 -0.782 2.661 2.096 1.00 0.00 C ATOM 731 O TRP A 48 -0.626 3.881 2.148 1.00 0.00 O ATOM 732 CB TRP A 48 1.090 1.212 1.288 1.00 0.00 C ATOM 733 CG TRP A 48 1.600 2.318 0.414 1.00 0.00 C ATOM 734 CD1 TRP A 48 2.866 2.829 0.394 1.00 0.00 C ATOM 735 CD2 TRP A 48 0.853 3.049 -0.565 1.00 0.00 C ATOM 736 NE1 TRP A 48 2.952 3.835 -0.539 1.00 0.00 N ATOM 737 CE2 TRP A 48 1.731 3.989 -1.141 1.00 0.00 C ATOM 738 CE3 TRP A 48 -0.470 3.001 -1.011 1.00 0.00 C ATOM 739 CZ2 TRP A 48 1.325 4.871 -2.139 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.871 3.878 -2.002 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.024 4.802 -2.557 1.00 0.00 C ATOM 0 H TRP A 48 -0.189 -0.303 2.777 1.00 0.00 H new ATOM 0 HA TRP A 48 1.024 2.257 3.164 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.930 0.597 1.611 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.432 0.570 0.702 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.680 2.492 1.019 1.00 0.00 H new ATOM 0 HE1 TRP A 48 3.789 4.379 -0.749 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.167 2.292 -0.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.013 5.585 -2.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.892 3.850 -2.354 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.320 5.473 -3.330 1.00 0.00 H new ATOM 752 N PHE A 49 -1.908 2.093 1.677 1.00 0.00 N ATOM 753 CA PHE A 49 -3.050 2.889 1.244 1.00 0.00 C ATOM 754 C PHE A 49 -3.623 3.696 2.406 1.00 0.00 C ATOM 755 O PHE A 49 -3.699 4.923 2.345 1.00 0.00 O ATOM 756 CB PHE A 49 -4.134 1.985 0.652 1.00 0.00 C ATOM 757 CG PHE A 49 -3.960 1.723 -0.816 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.258 2.703 -1.749 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.497 0.496 -1.264 1.00 0.00 C ATOM 760 CE1 PHE A 49 -4.099 2.464 -3.101 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.336 0.251 -2.615 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.637 1.237 -3.534 1.00 0.00 C ATOM 0 H PHE A 49 -2.054 1.085 1.628 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.707 3.583 0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.134 1.034 1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.109 2.444 0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.619 3.665 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.259 -0.278 -0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.336 3.236 -3.818 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.975 -0.710 -2.951 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.511 1.049 -4.590 1.00 0.00 H new ATOM 772 N ARG A 50 -4.026 2.997 3.462 1.00 0.00 N ATOM 773 CA ARG A 50 -4.594 3.646 4.637 1.00 0.00 C ATOM 774 C ARG A 50 -3.756 4.852 5.050 1.00 0.00 C ATOM 775 O ARG A 50 -4.293 5.908 5.384 1.00 0.00 O ATOM 776 CB ARG A 50 -4.688 2.655 5.798 1.00 0.00 C ATOM 777 CG ARG A 50 -3.336 2.200 6.322 1.00 0.00 C ATOM 778 CD ARG A 50 -3.484 1.275 7.520 1.00 0.00 C ATOM 779 NE ARG A 50 -3.962 -0.049 7.132 1.00 0.00 N ATOM 780 CZ ARG A 50 -4.497 -0.916 7.985 1.00 0.00 C ATOM 781 NH1 ARG A 50 -4.624 -0.599 9.266 1.00 0.00 N ATOM 782 NH2 ARG A 50 -4.909 -2.103 7.556 1.00 0.00 N ATOM 0 H ARG A 50 -3.970 1.981 3.528 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.596 3.992 4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.248 3.115 6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.255 1.782 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.792 1.686 5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.743 3.070 6.604 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.523 1.180 8.026 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.178 1.716 8.235 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.881 -0.323 6.153 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.311 0.313 9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.035 -1.267 9.918 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.815 -2.350 6.571 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.320 -2.768 8.212 1.00 0.00 H new ATOM 796 N GLN A 51 -2.437 4.687 5.024 1.00 0.00 N ATOM 797 CA GLN A 51 -1.525 5.762 5.396 1.00 0.00 C ATOM 798 C GLN A 51 -1.428 6.803 4.286 1.00 0.00 C ATOM 799 O GLN A 51 -1.448 8.006 4.547 1.00 0.00 O ATOM 800 CB GLN A 51 -0.137 5.197 5.705 1.00 0.00 C ATOM 801 CG GLN A 51 -0.035 4.552 7.078 1.00 0.00 C ATOM 802 CD GLN A 51 -0.120 5.562 8.205 1.00 0.00 C ATOM 803 OE1 GLN A 51 -1.338 5.948 8.564 1.00 0.00 O flip ATOM 804 NE2 GLN A 51 0.899 5.991 8.748 1.00 0.00 N flip ATOM 0 H GLN A 51 -1.977 3.819 4.749 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.920 6.247 6.289 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.123 4.459 4.946 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.597 6.000 5.634 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.834 3.819 7.191 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.908 4.010 7.151 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.816 5.667 8.440 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.826 6.670 9.505 1.00 0.00 H new ATOM 813 N ARG A 52 -1.323 6.332 3.048 1.00 0.00 N ATOM 814 CA ARG A 52 -1.221 7.223 1.898 1.00 0.00 C ATOM 815 C ARG A 52 -2.127 8.439 2.071 1.00 0.00 C ATOM 816 O ARG A 52 -1.657 9.577 2.090 1.00 0.00 O ATOM 817 CB ARG A 52 -1.591 6.477 0.614 1.00 0.00 C ATOM 818 CG ARG A 52 -0.875 7.000 -0.621 1.00 0.00 C ATOM 819 CD ARG A 52 -1.114 8.489 -0.815 1.00 0.00 C ATOM 820 NE ARG A 52 -0.106 9.299 -0.136 1.00 0.00 N ATOM 821 CZ ARG A 52 -0.185 10.619 -0.014 1.00 0.00 C ATOM 822 NH1 ARG A 52 -1.219 11.275 -0.521 1.00 0.00 N ATOM 823 NH2 ARG A 52 0.773 11.286 0.618 1.00 0.00 N ATOM 0 H ARG A 52 -1.306 5.339 2.815 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.189 7.567 1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.358 5.419 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.667 6.550 0.458 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.195 6.811 -0.530 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.221 6.457 -1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.108 8.721 -1.880 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.103 8.750 -0.437 1.00 0.00 H new ATOM 0 HE ARG A 52 0.703 8.825 0.266 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.957 10.766 -1.007 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.276 12.289 -0.425 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.570 10.785 1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.712 12.300 0.712 1.00 0.00 H new ATOM 837 N ARG A 53 -3.426 8.190 2.196 1.00 0.00 N ATOM 838 CA ARG A 53 -4.397 9.265 2.365 1.00 0.00 C ATOM 839 C ARG A 53 -4.089 10.084 3.615 1.00 0.00 C ATOM 840 O ARG A 53 -4.081 11.313 3.577 1.00 0.00 O ATOM 841 CB ARG A 53 -5.813 8.692 2.453 1.00 0.00 C ATOM 842 CG ARG A 53 -6.426 8.375 1.099 1.00 0.00 C ATOM 843 CD ARG A 53 -7.777 7.691 1.246 1.00 0.00 C ATOM 844 NE ARG A 53 -7.678 6.441 1.995 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.708 6.375 3.322 1.00 0.00 C ATOM 846 NH1 ARG A 53 -7.832 7.481 4.041 1.00 0.00 N ATOM 847 NH2 ARG A 53 -7.613 5.200 3.931 1.00 0.00 N ATOM 0 H ARG A 53 -3.831 7.254 2.184 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.331 9.921 1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.792 7.783 3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.453 9.404 2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.543 9.295 0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.751 7.732 0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.471 8.363 1.752 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.191 7.490 0.258 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.581 5.571 1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.905 8.386 3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.855 7.427 5.059 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.517 4.347 3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.636 5.150 4.950 1.00 0.00 H new ATOM 861 N ASN A 54 -3.837 9.392 4.722 1.00 0.00 N ATOM 862 CA ASN A 54 -3.530 10.055 5.984 1.00 0.00 C ATOM 863 C ASN A 54 -2.396 11.061 5.808 1.00 0.00 C ATOM 864 O ASN A 54 -2.428 12.151 6.379 1.00 0.00 O ATOM 865 CB ASN A 54 -3.150 9.023 7.047 1.00 0.00 C ATOM 866 CG ASN A 54 -4.352 8.524 7.825 1.00 0.00 C ATOM 867 OD1 ASN A 54 -5.370 9.210 7.923 1.00 0.00 O ATOM 868 ND2 ASN A 54 -4.240 7.323 8.381 1.00 0.00 N ATOM 0 H ASN A 54 -3.839 8.373 4.770 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.421 10.591 6.310 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.654 8.178 6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.432 9.465 7.738 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.017 6.934 8.915 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.377 6.790 8.274 1.00 0.00 H new