USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 396 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 26 LYS NZ :NH3+ -143:sc= 0.683 (180deg=0) USER MOD Set 1.2: A 27 TYR OH : rot 180:sc= 0.574 USER MOD Single : A 14 ASN : amide:sc= -2.32! C(o=-2.3!,f=-1.9!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0603 USER MOD Single : A 21 LYS NZ :NH3+ -145:sc= 0.877 (180deg=0.215) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0787 K(o=-0.079,f=-1.1) USER MOD Single : A 31 GLN : amide:sc=-0.00534 X(o=-0.0053,f=-0.33) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -4.76! C(o=-4.8!,f=-4.1!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.832 K(o=-0.83,f=-1.6!) USER MOD Single : A 47 CYS SG : rot -160:sc= -1.4 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N TRP A 12 -7.646 -0.889 -8.831 1.00 0.00 N ATOM 119 CA TRP A 12 -6.481 -0.132 -8.389 1.00 0.00 C ATOM 120 C TRP A 12 -5.661 0.351 -9.580 1.00 0.00 C ATOM 121 O TRP A 12 -5.480 -0.377 -10.557 1.00 0.00 O ATOM 122 CB TRP A 12 -5.610 -0.988 -7.467 1.00 0.00 C ATOM 123 CG TRP A 12 -5.986 -0.875 -6.021 1.00 0.00 C ATOM 124 CD1 TRP A 12 -7.065 -1.446 -5.408 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.286 -0.145 -5.008 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.078 -1.114 -4.074 1.00 0.00 N ATOM 127 CE2 TRP A 12 -5.997 -0.318 -3.804 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.128 0.637 -5.000 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.585 0.263 -2.607 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.721 1.213 -3.812 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.448 1.023 -2.628 1.00 0.00 C ATOM 0 HA TRP A 12 -6.833 0.740 -7.838 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.685 -2.031 -7.774 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.567 -0.694 -7.588 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.800 -2.067 -5.899 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.779 -1.412 -3.396 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.561 0.788 -5.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.144 0.118 -1.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.828 1.820 -3.795 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.103 1.486 -1.715 1.00 0.00 H new ATOM 142 N ARG A 13 -5.166 1.581 -9.493 1.00 0.00 N ATOM 143 CA ARG A 13 -4.366 2.160 -10.565 1.00 0.00 C ATOM 144 C ARG A 13 -2.893 2.226 -10.170 1.00 0.00 C ATOM 145 O ARG A 13 -2.562 2.475 -9.012 1.00 0.00 O ATOM 146 CB ARG A 13 -4.874 3.561 -10.911 1.00 0.00 C ATOM 147 CG ARG A 13 -6.361 3.609 -11.225 1.00 0.00 C ATOM 148 CD ARG A 13 -6.713 4.824 -12.068 1.00 0.00 C ATOM 149 NE ARG A 13 -6.468 6.075 -11.354 1.00 0.00 N ATOM 150 CZ ARG A 13 -7.059 7.224 -11.661 1.00 0.00 C ATOM 151 NH1 ARG A 13 -7.925 7.281 -12.663 1.00 0.00 N ATOM 152 NH2 ARG A 13 -6.783 8.320 -10.965 1.00 0.00 N ATOM 0 H ARG A 13 -5.305 2.196 -8.691 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.462 1.519 -11.441 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.666 4.230 -10.076 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.318 3.939 -11.769 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.652 2.701 -11.754 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.930 3.633 -10.295 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.127 4.810 -12.987 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.762 4.772 -12.359 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.807 6.065 -10.577 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.139 6.441 -13.201 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.377 8.165 -12.896 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.117 8.280 -10.194 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.237 9.202 -11.201 1.00 0.00 H new ATOM 166 N ASN A 14 -2.014 2.000 -11.141 1.00 0.00 N ATOM 167 CA ASN A 14 -0.577 2.032 -10.894 1.00 0.00 C ATOM 168 C ASN A 14 -0.227 3.093 -9.856 1.00 0.00 C ATOM 169 O ASN A 14 0.423 2.805 -8.851 1.00 0.00 O ATOM 170 CB ASN A 14 0.179 2.307 -12.196 1.00 0.00 C ATOM 171 CG ASN A 14 -0.134 3.676 -12.768 1.00 0.00 C ATOM 172 OD1 ASN A 14 0.691 4.588 -12.709 1.00 0.00 O ATOM 173 ND2 ASN A 14 -1.330 3.825 -13.325 1.00 0.00 N ATOM 0 H ASN A 14 -2.272 1.793 -12.106 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.278 1.058 -10.507 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.251 2.229 -12.014 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.077 1.543 -12.930 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.597 4.724 -13.727 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.982 3.041 -13.351 1.00 0.00 H new ATOM 180 N THR A 15 -0.664 4.324 -10.105 1.00 0.00 N ATOM 181 CA THR A 15 -0.397 5.429 -9.193 1.00 0.00 C ATOM 182 C THR A 15 -0.752 5.056 -7.759 1.00 0.00 C ATOM 183 O THR A 15 0.093 5.111 -6.867 1.00 0.00 O ATOM 184 CB THR A 15 -1.184 6.691 -9.594 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.567 6.368 -9.777 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.625 7.294 -10.874 1.00 0.00 C ATOM 0 H THR A 15 -1.205 4.580 -10.931 1.00 0.00 H new ATOM 0 HA THR A 15 0.670 5.641 -9.256 1.00 0.00 H new ATOM 0 HB THR A 15 -1.085 7.424 -8.793 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.061 7.176 -10.030 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.197 8.184 -11.137 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.420 7.566 -10.722 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.697 6.565 -11.681 1.00 0.00 H new ATOM 194 N GLU A 16 -2.008 4.677 -7.545 1.00 0.00 N ATOM 195 CA GLU A 16 -2.474 4.295 -6.217 1.00 0.00 C ATOM 196 C GLU A 16 -1.582 3.212 -5.618 1.00 0.00 C ATOM 197 O GLU A 16 -1.264 3.242 -4.429 1.00 0.00 O ATOM 198 CB GLU A 16 -3.921 3.801 -6.282 1.00 0.00 C ATOM 199 CG GLU A 16 -4.902 4.853 -6.773 1.00 0.00 C ATOM 200 CD GLU A 16 -6.340 4.376 -6.728 1.00 0.00 C ATOM 201 OE1 GLU A 16 -6.989 4.549 -5.675 1.00 0.00 O ATOM 202 OE2 GLU A 16 -6.817 3.829 -7.744 1.00 0.00 O ATOM 0 H GLU A 16 -2.720 4.626 -8.273 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.427 5.176 -5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.971 2.934 -6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.227 3.466 -5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.802 5.751 -6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.648 5.132 -7.795 1.00 0.00 H new ATOM 209 N ASP A 17 -1.182 2.257 -6.449 1.00 0.00 N ATOM 210 CA ASP A 17 -0.326 1.163 -6.003 1.00 0.00 C ATOM 211 C ASP A 17 1.035 1.687 -5.555 1.00 0.00 C ATOM 212 O ASP A 17 1.517 1.343 -4.476 1.00 0.00 O ATOM 213 CB ASP A 17 -0.148 0.137 -7.123 1.00 0.00 C ATOM 214 CG ASP A 17 -1.213 -0.941 -7.096 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.361 -0.651 -7.491 1.00 0.00 O ATOM 216 OD2 ASP A 17 -0.898 -2.075 -6.677 1.00 0.00 O ATOM 0 H ASP A 17 -1.437 2.217 -7.436 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.808 0.680 -5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.176 0.647 -8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.835 -0.325 -7.035 1.00 0.00 H new ATOM 221 N GLU A 18 1.648 2.519 -6.391 1.00 0.00 N ATOM 222 CA GLU A 18 2.954 3.088 -6.080 1.00 0.00 C ATOM 223 C GLU A 18 2.928 3.807 -4.734 1.00 0.00 C ATOM 224 O GLU A 18 3.747 3.533 -3.856 1.00 0.00 O ATOM 225 CB GLU A 18 3.387 4.058 -7.181 1.00 0.00 C ATOM 226 CG GLU A 18 4.133 3.389 -8.323 1.00 0.00 C ATOM 227 CD GLU A 18 5.278 2.519 -7.841 1.00 0.00 C ATOM 228 OE1 GLU A 18 5.866 2.841 -6.788 1.00 0.00 O ATOM 229 OE2 GLU A 18 5.585 1.515 -8.519 1.00 0.00 O ATOM 0 H GLU A 18 1.262 2.814 -7.288 1.00 0.00 H new ATOM 0 HA GLU A 18 3.673 2.271 -6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.505 4.560 -7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.023 4.829 -6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.437 2.780 -8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.521 4.154 -8.996 1.00 0.00 H new ATOM 236 N ILE A 19 1.983 4.729 -4.581 1.00 0.00 N ATOM 237 CA ILE A 19 1.850 5.487 -3.343 1.00 0.00 C ATOM 238 C ILE A 19 1.705 4.558 -2.142 1.00 0.00 C ATOM 239 O ILE A 19 2.313 4.781 -1.095 1.00 0.00 O ATOM 240 CB ILE A 19 0.639 6.437 -3.392 1.00 0.00 C ATOM 241 CG1 ILE A 19 0.760 7.392 -4.582 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.523 7.216 -2.090 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.572 7.912 -5.077 1.00 0.00 C ATOM 0 H ILE A 19 1.299 4.969 -5.298 1.00 0.00 H new ATOM 0 HA ILE A 19 2.760 6.077 -3.235 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.266 5.842 -3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.388 8.237 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.267 6.879 -5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.338 7.883 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.395 6.521 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.428 7.803 -1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.410 8.583 -5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.195 7.075 -5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.072 8.454 -4.274 1.00 0.00 H new ATOM 255 N LEU A 20 0.898 3.516 -2.302 1.00 0.00 N ATOM 256 CA LEU A 20 0.674 2.551 -1.231 1.00 0.00 C ATOM 257 C LEU A 20 1.954 1.786 -0.911 1.00 0.00 C ATOM 258 O LEU A 20 2.464 1.848 0.208 1.00 0.00 O ATOM 259 CB LEU A 20 -0.434 1.571 -1.624 1.00 0.00 C ATOM 260 CG LEU A 20 -0.717 0.444 -0.631 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.445 0.980 0.592 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.526 -0.661 -1.294 1.00 0.00 C ATOM 0 H LEU A 20 0.388 3.317 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 20 0.367 3.099 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.354 2.136 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.173 1.125 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 20 0.235 0.025 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.638 0.163 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.829 1.735 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.391 1.427 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.718 -1.455 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.474 -0.256 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.967 -1.065 -2.138 1.00 0.00 H new ATOM 274 N LYS A 21 2.470 1.066 -1.901 1.00 0.00 N ATOM 275 CA LYS A 21 3.693 0.291 -1.728 1.00 0.00 C ATOM 276 C LYS A 21 4.753 1.105 -0.993 1.00 0.00 C ATOM 277 O LYS A 21 5.220 0.713 0.076 1.00 0.00 O ATOM 278 CB LYS A 21 4.233 -0.160 -3.087 1.00 0.00 C ATOM 279 CG LYS A 21 3.317 -1.129 -3.814 1.00 0.00 C ATOM 280 CD LYS A 21 3.939 -1.619 -5.110 1.00 0.00 C ATOM 281 CE LYS A 21 3.804 -0.586 -6.219 1.00 0.00 C ATOM 282 NZ LYS A 21 4.544 -0.990 -7.446 1.00 0.00 N ATOM 0 H LYS A 21 2.060 1.003 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 21 3.454 -0.588 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.392 0.717 -3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.206 -0.630 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.101 -1.980 -3.169 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.366 -0.641 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.993 -1.843 -4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.459 -2.548 -5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.750 -0.447 -6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.180 0.375 -5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.939 -0.146 -7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.317 -1.637 -7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.894 -1.470 -8.101 1.00 0.00 H new ATOM 296 N ALA A 22 5.128 2.241 -1.573 1.00 0.00 N ATOM 297 CA ALA A 22 6.130 3.112 -0.971 1.00 0.00 C ATOM 298 C ALA A 22 5.743 3.491 0.454 1.00 0.00 C ATOM 299 O ALA A 22 6.480 3.218 1.401 1.00 0.00 O ATOM 300 CB ALA A 22 6.321 4.361 -1.818 1.00 0.00 C ATOM 0 H ALA A 22 4.753 2.579 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 22 7.073 2.566 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.072 5.002 -1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.651 4.076 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.377 4.901 -1.888 1.00 0.00 H new ATOM 306 N ALA A 23 4.582 4.122 0.599 1.00 0.00 N ATOM 307 CA ALA A 23 4.097 4.537 1.910 1.00 0.00 C ATOM 308 C ALA A 23 4.297 3.435 2.944 1.00 0.00 C ATOM 309 O ALA A 23 4.844 3.672 4.021 1.00 0.00 O ATOM 310 CB ALA A 23 2.629 4.928 1.829 1.00 0.00 C ATOM 0 H ALA A 23 3.960 4.357 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 23 4.676 5.404 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.280 5.236 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.511 5.754 1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.044 4.075 1.487 1.00 0.00 H new ATOM 316 N VAL A 24 3.850 2.228 2.610 1.00 0.00 N ATOM 317 CA VAL A 24 3.980 1.089 3.511 1.00 0.00 C ATOM 318 C VAL A 24 5.415 0.940 4.004 1.00 0.00 C ATOM 319 O VAL A 24 5.651 0.542 5.145 1.00 0.00 O ATOM 320 CB VAL A 24 3.546 -0.221 2.825 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.628 -1.386 3.799 1.00 0.00 C ATOM 322 CG2 VAL A 24 2.141 -0.085 2.259 1.00 0.00 C ATOM 0 H VAL A 24 3.395 2.014 1.723 1.00 0.00 H new ATOM 0 HA VAL A 24 3.325 1.280 4.361 1.00 0.00 H new ATOM 0 HB VAL A 24 4.228 -0.422 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.318 -2.302 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.654 -1.494 4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.971 -1.197 4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.850 -1.019 1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.444 0.140 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.120 0.722 1.526 1.00 0.00 H new ATOM 332 N MET A 25 6.369 1.262 3.138 1.00 0.00 N ATOM 333 CA MET A 25 7.782 1.165 3.487 1.00 0.00 C ATOM 334 C MET A 25 8.205 2.335 4.369 1.00 0.00 C ATOM 335 O MET A 25 9.050 2.187 5.252 1.00 0.00 O ATOM 336 CB MET A 25 8.641 1.129 2.221 1.00 0.00 C ATOM 337 CG MET A 25 8.386 -0.088 1.348 1.00 0.00 C ATOM 338 SD MET A 25 9.285 -1.547 1.910 1.00 0.00 S ATOM 339 CE MET A 25 8.128 -2.845 1.481 1.00 0.00 C ATOM 0 H MET A 25 6.190 1.592 2.190 1.00 0.00 H new ATOM 0 HA MET A 25 7.930 0.240 4.044 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.452 2.030 1.638 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.693 1.148 2.505 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.318 -0.306 1.338 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.675 0.139 0.322 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.543 -3.811 1.767 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.188 -2.683 2.008 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.948 -2.832 0.406 1.00 0.00 H new ATOM 349 N LYS A 26 7.612 3.499 4.125 1.00 0.00 N ATOM 350 CA LYS A 26 7.926 4.695 4.898 1.00 0.00 C ATOM 351 C LYS A 26 7.215 4.673 6.247 1.00 0.00 C ATOM 352 O LYS A 26 7.856 4.613 7.297 1.00 0.00 O ATOM 353 CB LYS A 26 7.526 5.950 4.119 1.00 0.00 C ATOM 354 CG LYS A 26 7.639 7.230 4.929 1.00 0.00 C ATOM 355 CD LYS A 26 7.035 8.413 4.190 1.00 0.00 C ATOM 356 CE LYS A 26 6.498 9.458 5.155 1.00 0.00 C ATOM 357 NZ LYS A 26 6.038 10.684 4.446 1.00 0.00 N ATOM 0 H LYS A 26 6.911 3.639 3.398 1.00 0.00 H new ATOM 0 HA LYS A 26 9.002 4.712 5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.156 6.034 3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.499 5.840 3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.134 7.102 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.688 7.433 5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.790 8.865 3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.230 8.066 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.670 9.035 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.275 9.723 5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.270 11.522 5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.513 10.750 3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.009 10.637 4.303 1.00 0.00 H new ATOM 371 N TYR A 27 5.888 4.722 6.212 1.00 0.00 N ATOM 372 CA TYR A 27 5.090 4.709 7.433 1.00 0.00 C ATOM 373 C TYR A 27 5.130 3.335 8.094 1.00 0.00 C ATOM 374 O TYR A 27 5.063 3.220 9.317 1.00 0.00 O ATOM 375 CB TYR A 27 3.643 5.098 7.125 1.00 0.00 C ATOM 376 CG TYR A 27 3.513 6.411 6.388 1.00 0.00 C ATOM 377 CD1 TYR A 27 3.566 6.460 5.000 1.00 0.00 C ATOM 378 CD2 TYR A 27 3.336 7.604 7.079 1.00 0.00 C ATOM 379 CE1 TYR A 27 3.448 7.658 4.323 1.00 0.00 C ATOM 380 CE2 TYR A 27 3.216 8.806 6.409 1.00 0.00 C ATOM 381 CZ TYR A 27 3.273 8.828 5.031 1.00 0.00 C ATOM 382 OH TYR A 27 3.154 10.024 4.360 1.00 0.00 O ATOM 0 H TYR A 27 5.342 4.771 5.352 1.00 0.00 H new ATOM 0 HA TYR A 27 5.515 5.437 8.124 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.183 4.310 6.530 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.085 5.159 8.059 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.702 5.546 4.441 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.292 7.591 8.158 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.493 7.678 3.244 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.078 9.724 6.961 1.00 0.00 H new ATOM 0 HH TYR A 27 3.035 10.751 5.006 1.00 0.00 H new ATOM 392 N GLY A 28 5.240 2.293 7.275 1.00 0.00 N ATOM 393 CA GLY A 28 5.287 0.940 7.798 1.00 0.00 C ATOM 394 C GLY A 28 3.986 0.191 7.585 1.00 0.00 C ATOM 395 O GLY A 28 3.043 0.722 6.998 1.00 0.00 O ATOM 0 H GLY A 28 5.297 2.362 6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.099 0.396 7.316 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.513 0.973 8.864 1.00 0.00 H new ATOM 399 N LYS A 29 3.935 -1.048 8.062 1.00 0.00 N ATOM 400 CA LYS A 29 2.741 -1.873 7.921 1.00 0.00 C ATOM 401 C LYS A 29 1.848 -1.752 9.152 1.00 0.00 C ATOM 402 O LYS A 29 1.130 -2.687 9.504 1.00 0.00 O ATOM 403 CB LYS A 29 3.130 -3.337 7.702 1.00 0.00 C ATOM 404 CG LYS A 29 4.004 -3.558 6.480 1.00 0.00 C ATOM 405 CD LYS A 29 4.616 -4.949 6.475 1.00 0.00 C ATOM 406 CE LYS A 29 5.434 -5.194 5.217 1.00 0.00 C ATOM 407 NZ LYS A 29 5.881 -6.610 5.113 1.00 0.00 N ATOM 0 H LYS A 29 4.707 -1.503 8.550 1.00 0.00 H new ATOM 0 HA LYS A 29 2.185 -1.518 7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.656 -3.700 8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.224 -3.934 7.603 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.410 -3.418 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.797 -2.811 6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.251 -5.071 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.825 -5.696 6.547 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.839 -4.936 4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.304 -4.538 5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.435 -6.736 4.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.470 -6.849 5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.050 -7.235 5.088 1.00 0.00 H new ATOM 421 N ASN A 30 1.898 -0.594 9.802 1.00 0.00 N ATOM 422 CA ASN A 30 1.092 -0.351 10.994 1.00 0.00 C ATOM 423 C ASN A 30 0.204 0.876 10.809 1.00 0.00 C ATOM 424 O ASN A 30 -0.912 0.928 11.324 1.00 0.00 O ATOM 425 CB ASN A 30 1.994 -0.162 12.215 1.00 0.00 C ATOM 426 CG ASN A 30 3.065 0.887 11.986 1.00 0.00 C ATOM 427 OD1 ASN A 30 3.986 0.687 11.193 1.00 0.00 O ATOM 428 ND2 ASN A 30 2.949 2.012 12.681 1.00 0.00 N ATOM 0 H ASN A 30 2.487 0.191 9.524 1.00 0.00 H new ATOM 0 HA ASN A 30 0.453 -1.220 11.154 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.385 0.126 13.072 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.467 -1.112 12.464 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.640 2.754 12.569 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.169 2.134 13.327 1.00 0.00 H new ATOM 435 N GLN A 31 0.708 1.859 10.070 1.00 0.00 N ATOM 436 CA GLN A 31 -0.039 3.085 9.818 1.00 0.00 C ATOM 437 C GLN A 31 -0.965 2.921 8.617 1.00 0.00 C ATOM 438 O GLN A 31 -1.146 3.849 7.830 1.00 0.00 O ATOM 439 CB GLN A 31 0.920 4.253 9.582 1.00 0.00 C ATOM 440 CG GLN A 31 1.947 4.430 10.688 1.00 0.00 C ATOM 441 CD GLN A 31 2.375 5.874 10.862 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.544 6.760 11.063 1.00 0.00 O ATOM 443 NE2 GLN A 31 3.678 6.119 10.784 1.00 0.00 N ATOM 0 H GLN A 31 1.630 1.830 9.635 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.648 3.297 10.697 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.440 4.100 8.636 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.342 5.172 9.483 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.532 4.063 11.626 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.823 3.820 10.467 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.332 5.354 10.616 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.025 7.072 10.892 1.00 0.00 H new ATOM 452 N TRP A 32 -1.547 1.734 8.483 1.00 0.00 N ATOM 453 CA TRP A 32 -2.453 1.449 7.377 1.00 0.00 C ATOM 454 C TRP A 32 -3.522 2.530 7.256 1.00 0.00 C ATOM 455 O TRP A 32 -3.883 2.937 6.152 1.00 0.00 O ATOM 456 CB TRP A 32 -3.113 0.082 7.571 1.00 0.00 C ATOM 457 CG TRP A 32 -2.185 -1.067 7.314 1.00 0.00 C ATOM 458 CD1 TRP A 32 -1.825 -2.043 8.198 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.499 -1.357 6.091 1.00 0.00 C ATOM 460 NE1 TRP A 32 -0.957 -2.923 7.599 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.741 -2.525 6.306 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.452 -0.745 4.836 1.00 0.00 C ATOM 463 CZ2 TRP A 32 0.054 -3.089 5.312 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.663 -1.307 3.850 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.080 -2.470 4.092 1.00 0.00 C ATOM 0 H TRP A 32 -1.407 0.955 9.126 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.870 1.436 6.456 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.494 0.012 8.590 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.971 0.003 6.904 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.172 -2.113 9.218 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.541 -3.741 8.045 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.022 0.151 4.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.630 -3.984 5.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.618 -0.842 2.876 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.685 -2.886 3.300 1.00 0.00 H new ATOM 476 N SER A 33 -4.024 2.990 8.397 1.00 0.00 N ATOM 477 CA SER A 33 -5.054 4.022 8.417 1.00 0.00 C ATOM 478 C SER A 33 -4.532 5.323 7.814 1.00 0.00 C ATOM 479 O SER A 33 -5.180 5.928 6.960 1.00 0.00 O ATOM 480 CB SER A 33 -5.532 4.267 9.850 1.00 0.00 C ATOM 481 OG SER A 33 -4.439 4.514 10.717 1.00 0.00 O ATOM 0 H SER A 33 -3.735 2.665 9.319 1.00 0.00 H new ATOM 0 HA SER A 33 -5.894 3.674 7.815 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.214 5.117 9.869 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.092 3.401 10.203 1.00 0.00 H new ATOM 0 HG SER A 33 -4.771 4.669 11.626 1.00 0.00 H new ATOM 487 N ARG A 34 -3.356 5.747 8.266 1.00 0.00 N ATOM 488 CA ARG A 34 -2.747 6.977 7.773 1.00 0.00 C ATOM 489 C ARG A 34 -2.432 6.868 6.284 1.00 0.00 C ATOM 490 O ARG A 34 -2.702 7.790 5.514 1.00 0.00 O ATOM 491 CB ARG A 34 -1.469 7.287 8.555 1.00 0.00 C ATOM 492 CG ARG A 34 -1.023 8.735 8.444 1.00 0.00 C ATOM 493 CD ARG A 34 0.204 9.008 9.300 1.00 0.00 C ATOM 494 NE ARG A 34 0.605 10.412 9.250 1.00 0.00 N ATOM 495 CZ ARG A 34 0.038 11.364 9.982 1.00 0.00 C ATOM 496 NH1 ARG A 34 -0.949 11.066 10.816 1.00 0.00 N ATOM 497 NH2 ARG A 34 0.458 12.619 9.881 1.00 0.00 N ATOM 0 H ARG A 34 -2.806 5.257 8.972 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.459 7.790 7.918 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.628 7.044 9.606 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.668 6.641 8.196 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.801 8.970 7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.836 9.392 8.752 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.004 8.727 10.332 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.030 8.383 8.960 1.00 0.00 H new ATOM 0 HE ARG A 34 1.362 10.675 8.619 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.275 10.103 10.897 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.382 11.800 11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.217 12.853 9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.022 13.350 10.444 1.00 0.00 H new ATOM 511 N ILE A 35 -1.859 5.737 5.887 1.00 0.00 N ATOM 512 CA ILE A 35 -1.507 5.508 4.491 1.00 0.00 C ATOM 513 C ILE A 35 -2.703 5.752 3.576 1.00 0.00 C ATOM 514 O ILE A 35 -2.602 6.473 2.585 1.00 0.00 O ATOM 515 CB ILE A 35 -0.989 4.075 4.269 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.301 3.848 5.059 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.760 3.819 2.786 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.671 2.388 5.205 1.00 0.00 C ATOM 0 H ILE A 35 -1.629 4.965 6.512 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.714 6.214 4.245 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.741 3.372 4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.118 4.374 4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.193 4.288 6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.394 2.802 2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.698 3.945 2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.024 4.526 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.596 2.302 5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.128 1.861 5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.812 1.948 4.218 1.00 0.00 H new ATOM 530 N ALA A 36 -3.836 5.146 3.918 1.00 0.00 N ATOM 531 CA ALA A 36 -5.052 5.300 3.130 1.00 0.00 C ATOM 532 C ALA A 36 -5.305 6.765 2.792 1.00 0.00 C ATOM 533 O ALA A 36 -5.710 7.094 1.677 1.00 0.00 O ATOM 534 CB ALA A 36 -6.242 4.716 3.877 1.00 0.00 C ATOM 0 H ALA A 36 -3.936 4.544 4.735 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.921 4.756 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.144 4.838 3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.070 3.656 4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.366 5.235 4.827 1.00 0.00 H new ATOM 540 N SER A 37 -5.065 7.642 3.762 1.00 0.00 N ATOM 541 CA SER A 37 -5.272 9.072 3.568 1.00 0.00 C ATOM 542 C SER A 37 -4.629 9.542 2.267 1.00 0.00 C ATOM 543 O SER A 37 -5.209 10.335 1.525 1.00 0.00 O ATOM 544 CB SER A 37 -4.695 9.857 4.748 1.00 0.00 C ATOM 545 OG SER A 37 -5.229 11.168 4.798 1.00 0.00 O ATOM 0 H SER A 37 -4.727 7.387 4.690 1.00 0.00 H new ATOM 0 HA SER A 37 -6.345 9.254 3.509 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.916 9.335 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.610 9.906 4.660 1.00 0.00 H new ATOM 0 HG SER A 37 -4.846 11.648 5.561 1.00 0.00 H new ATOM 551 N LEU A 38 -3.425 9.048 1.997 1.00 0.00 N ATOM 552 CA LEU A 38 -2.701 9.416 0.785 1.00 0.00 C ATOM 553 C LEU A 38 -3.546 9.150 -0.456 1.00 0.00 C ATOM 554 O LEU A 38 -3.629 9.988 -1.355 1.00 0.00 O ATOM 555 CB LEU A 38 -1.386 8.640 0.698 1.00 0.00 C ATOM 556 CG LEU A 38 -0.496 8.685 1.940 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.600 7.635 1.850 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.105 10.072 2.115 1.00 0.00 C ATOM 0 H LEU A 38 -2.930 8.392 2.601 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.483 10.483 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.617 7.598 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.816 9.025 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.111 8.464 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.223 7.682 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.150 6.645 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.213 7.824 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.736 10.086 3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.706 10.321 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.695 10.804 2.226 1.00 0.00 H new ATOM 570 N LEU A 39 -4.173 7.979 -0.499 1.00 0.00 N ATOM 571 CA LEU A 39 -5.014 7.603 -1.630 1.00 0.00 C ATOM 572 C LEU A 39 -6.443 8.098 -1.434 1.00 0.00 C ATOM 573 O LEU A 39 -6.974 8.071 -0.323 1.00 0.00 O ATOM 574 CB LEU A 39 -5.009 6.084 -1.811 1.00 0.00 C ATOM 575 CG LEU A 39 -3.633 5.419 -1.864 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.723 3.968 -1.416 1.00 0.00 C ATOM 577 CD2 LEU A 39 -3.050 5.511 -3.267 1.00 0.00 C ATOM 0 H LEU A 39 -4.115 7.274 0.236 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.607 8.071 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.574 5.639 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.541 5.846 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.969 5.948 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.734 3.511 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.097 3.926 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.403 3.426 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.071 5.033 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.713 5.008 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.948 6.558 -3.551 1.00 0.00 H new ATOM 589 N HIS A 40 -7.062 8.548 -2.521 1.00 0.00 N ATOM 590 CA HIS A 40 -8.432 9.047 -2.469 1.00 0.00 C ATOM 591 C HIS A 40 -9.432 7.898 -2.558 1.00 0.00 C ATOM 592 O HIS A 40 -9.293 7.004 -3.393 1.00 0.00 O ATOM 593 CB HIS A 40 -8.678 10.042 -3.603 1.00 0.00 C ATOM 594 CG HIS A 40 -10.100 10.501 -3.699 1.00 0.00 C ATOM 595 ND1 HIS A 40 -10.843 10.415 -4.858 1.00 0.00 N ATOM 596 CD2 HIS A 40 -10.917 11.052 -2.771 1.00 0.00 C ATOM 597 CE1 HIS A 40 -12.054 10.895 -4.639 1.00 0.00 C ATOM 598 NE2 HIS A 40 -12.125 11.287 -3.380 1.00 0.00 N ATOM 0 H HIS A 40 -6.637 8.577 -3.448 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.572 9.554 -1.514 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.034 10.910 -3.460 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.389 9.582 -4.548 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.666 11.267 -1.743 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.850 10.956 -5.366 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.944 11.698 -2.932 1.00 0.00 H new ATOM 607 N ARG A 41 -10.440 7.929 -1.692 1.00 0.00 N ATOM 608 CA ARG A 41 -11.462 6.889 -1.672 1.00 0.00 C ATOM 609 C ARG A 41 -10.855 5.537 -1.308 1.00 0.00 C ATOM 610 O ARG A 41 -11.122 4.529 -1.961 1.00 0.00 O ATOM 611 CB ARG A 41 -12.155 6.800 -3.032 1.00 0.00 C ATOM 612 CG ARG A 41 -12.688 8.132 -3.534 1.00 0.00 C ATOM 613 CD ARG A 41 -14.117 8.370 -3.072 1.00 0.00 C ATOM 614 NE ARG A 41 -15.091 7.749 -3.965 1.00 0.00 N ATOM 615 CZ ARG A 41 -16.326 7.427 -3.596 1.00 0.00 C ATOM 616 NH1 ARG A 41 -16.735 7.667 -2.357 1.00 0.00 N ATOM 617 NH2 ARG A 41 -17.155 6.864 -4.466 1.00 0.00 N ATOM 0 H ARG A 41 -10.571 8.663 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.199 7.153 -0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.452 6.401 -3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.980 6.091 -2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.049 8.939 -3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.648 8.154 -4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.243 7.973 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.307 9.442 -3.018 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.808 7.552 -4.925 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.101 8.100 -1.685 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.684 7.419 -2.076 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.844 6.678 -5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.103 6.617 -4.181 1.00 0.00 H new ATOM 631 N LYS A 42 -10.037 5.524 -0.261 1.00 0.00 N ATOM 632 CA LYS A 42 -9.392 4.297 0.191 1.00 0.00 C ATOM 633 C LYS A 42 -9.301 4.260 1.714 1.00 0.00 C ATOM 634 O LYS A 42 -8.933 5.249 2.347 1.00 0.00 O ATOM 635 CB LYS A 42 -7.993 4.178 -0.417 1.00 0.00 C ATOM 636 CG LYS A 42 -8.000 3.825 -1.894 1.00 0.00 C ATOM 637 CD LYS A 42 -8.541 2.425 -2.131 1.00 0.00 C ATOM 638 CE LYS A 42 -8.470 2.042 -3.601 1.00 0.00 C ATOM 639 NZ LYS A 42 -9.533 2.711 -4.401 1.00 0.00 N ATOM 0 H LYS A 42 -9.805 6.350 0.291 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.998 3.454 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.465 5.122 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.433 3.417 0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.608 4.548 -2.439 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.987 3.897 -2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.971 1.709 -1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.575 2.370 -1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.492 2.311 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.568 0.961 -3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.450 2.424 -5.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.467 2.434 -4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.425 3.743 -4.328 1.00 0.00 H new ATOM 653 N SER A 43 -9.638 3.112 2.294 1.00 0.00 N ATOM 654 CA SER A 43 -9.596 2.947 3.742 1.00 0.00 C ATOM 655 C SER A 43 -8.566 1.894 4.140 1.00 0.00 C ATOM 656 O SER A 43 -8.157 1.071 3.322 1.00 0.00 O ATOM 657 CB SER A 43 -10.976 2.553 4.272 1.00 0.00 C ATOM 658 OG SER A 43 -11.848 3.669 4.306 1.00 0.00 O ATOM 0 H SER A 43 -9.943 2.283 1.783 1.00 0.00 H new ATOM 0 HA SER A 43 -9.304 3.900 4.183 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.402 1.774 3.640 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.878 2.134 5.273 1.00 0.00 H new ATOM 0 HG SER A 43 -12.723 3.390 4.647 1.00 0.00 H new ATOM 664 N ALA A 44 -8.150 1.929 5.401 1.00 0.00 N ATOM 665 CA ALA A 44 -7.170 0.977 5.909 1.00 0.00 C ATOM 666 C ALA A 44 -7.452 -0.430 5.393 1.00 0.00 C ATOM 667 O ALA A 44 -6.542 -1.142 4.969 1.00 0.00 O ATOM 668 CB ALA A 44 -7.159 0.991 7.430 1.00 0.00 C ATOM 0 H ALA A 44 -8.476 2.607 6.090 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.187 1.278 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.422 0.275 7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.901 1.989 7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.146 0.718 7.804 1.00 0.00 H new ATOM 674 N LYS A 45 -8.720 -0.826 5.433 1.00 0.00 N ATOM 675 CA LYS A 45 -9.124 -2.148 4.970 1.00 0.00 C ATOM 676 C LYS A 45 -8.617 -2.407 3.554 1.00 0.00 C ATOM 677 O LYS A 45 -8.067 -3.470 3.268 1.00 0.00 O ATOM 678 CB LYS A 45 -10.648 -2.282 5.009 1.00 0.00 C ATOM 679 CG LYS A 45 -11.148 -3.661 4.616 1.00 0.00 C ATOM 680 CD LYS A 45 -10.913 -4.676 5.722 1.00 0.00 C ATOM 681 CE LYS A 45 -11.147 -6.097 5.233 1.00 0.00 C ATOM 682 NZ LYS A 45 -9.934 -6.666 4.582 1.00 0.00 N ATOM 0 H LYS A 45 -9.486 -0.249 5.782 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.683 -2.889 5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.999 -2.051 6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.087 -1.542 4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.212 -3.611 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.641 -3.987 3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.893 -4.581 6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.578 -4.464 6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.438 -6.727 6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.977 -6.106 4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.134 -7.635 4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.671 -6.079 3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.149 -6.681 5.264 1.00 0.00 H new ATOM 696 N GLN A 46 -8.804 -1.428 2.675 1.00 0.00 N ATOM 697 CA GLN A 46 -8.365 -1.551 1.291 1.00 0.00 C ATOM 698 C GLN A 46 -6.845 -1.642 1.208 1.00 0.00 C ATOM 699 O GLN A 46 -6.301 -2.578 0.622 1.00 0.00 O ATOM 700 CB GLN A 46 -8.862 -0.360 0.468 1.00 0.00 C ATOM 701 CG GLN A 46 -10.238 -0.573 -0.141 1.00 0.00 C ATOM 702 CD GLN A 46 -10.400 -1.953 -0.748 1.00 0.00 C ATOM 703 OE1 GLN A 46 -9.450 -2.523 -1.284 1.00 0.00 O ATOM 704 NE2 GLN A 46 -11.609 -2.497 -0.667 1.00 0.00 N ATOM 0 H GLN A 46 -9.256 -0.541 2.897 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.789 -2.468 0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.888 0.525 1.104 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.148 -0.157 -0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.998 -0.426 0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.412 0.180 -0.909 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.368 -1.988 -0.213 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.779 -3.424 -1.058 1.00 0.00 H new ATOM 713 N CYS A 47 -6.166 -0.665 1.798 1.00 0.00 N ATOM 714 CA CYS A 47 -4.707 -0.634 1.790 1.00 0.00 C ATOM 715 C CYS A 47 -4.133 -1.966 2.263 1.00 0.00 C ATOM 716 O CYS A 47 -3.180 -2.484 1.682 1.00 0.00 O ATOM 717 CB CYS A 47 -4.195 0.500 2.678 1.00 0.00 C ATOM 718 SG CYS A 47 -4.457 2.152 1.990 1.00 0.00 S ATOM 0 H CYS A 47 -6.602 0.116 2.288 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.377 -0.460 0.766 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.689 0.439 3.648 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.129 0.356 2.854 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.651 2.994 2.565 1.00 0.00 H new ATOM 724 N LYS A 48 -4.719 -2.514 3.322 1.00 0.00 N ATOM 725 CA LYS A 48 -4.266 -3.785 3.875 1.00 0.00 C ATOM 726 C LYS A 48 -4.629 -4.941 2.948 1.00 0.00 C ATOM 727 O LYS A 48 -3.861 -5.890 2.795 1.00 0.00 O ATOM 728 CB LYS A 48 -4.883 -4.012 5.257 1.00 0.00 C ATOM 729 CG LYS A 48 -4.134 -5.031 6.097 1.00 0.00 C ATOM 730 CD LYS A 48 -4.442 -4.869 7.576 1.00 0.00 C ATOM 731 CE LYS A 48 -4.246 -6.174 8.333 1.00 0.00 C ATOM 732 NZ LYS A 48 -5.459 -7.036 8.276 1.00 0.00 N ATOM 0 H LYS A 48 -5.509 -2.098 3.815 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.181 -3.746 3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.913 -3.063 5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.915 -4.342 5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.404 -6.037 5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.062 -4.921 5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.797 -4.100 8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.469 -4.526 7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.397 -6.713 7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.003 -5.957 9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.285 -7.915 8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.264 -6.531 8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.677 -7.264 7.285 1.00 0.00 H new ATOM 746 N ALA A 49 -5.803 -4.853 2.332 1.00 0.00 N ATOM 747 CA ALA A 49 -6.266 -5.891 1.418 1.00 0.00 C ATOM 748 C ALA A 49 -5.438 -5.903 0.138 1.00 0.00 C ATOM 749 O ALA A 49 -4.729 -6.868 -0.145 1.00 0.00 O ATOM 750 CB ALA A 49 -7.739 -5.691 1.095 1.00 0.00 C ATOM 0 H ALA A 49 -6.451 -4.074 2.449 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.142 -6.856 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.071 -6.473 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.323 -5.740 2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.880 -4.717 0.627 1.00 0.00 H new ATOM 756 N ARG A 50 -5.534 -4.824 -0.633 1.00 0.00 N ATOM 757 CA ARG A 50 -4.795 -4.712 -1.885 1.00 0.00 C ATOM 758 C ARG A 50 -3.332 -5.100 -1.690 1.00 0.00 C ATOM 759 O ARG A 50 -2.721 -5.715 -2.563 1.00 0.00 O ATOM 760 CB ARG A 50 -4.887 -3.286 -2.430 1.00 0.00 C ATOM 761 CG ARG A 50 -3.834 -2.965 -3.479 1.00 0.00 C ATOM 762 CD ARG A 50 -3.919 -3.916 -4.663 1.00 0.00 C ATOM 763 NE ARG A 50 -3.485 -3.283 -5.905 1.00 0.00 N ATOM 764 CZ ARG A 50 -3.875 -3.685 -7.110 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.703 -4.713 -7.234 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.436 -3.058 -8.194 1.00 0.00 N ATOM 0 H ARG A 50 -6.116 -4.016 -0.413 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.242 -5.398 -2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.876 -3.134 -2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.790 -2.583 -1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.964 -1.939 -3.825 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.842 -3.027 -3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.302 -4.793 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.945 -4.266 -4.774 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.848 -2.489 -5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.042 -5.198 -6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.001 -5.019 -8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.799 -2.267 -8.103 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.736 -3.367 -9.119 1.00 0.00 H new ATOM 780 N TRP A 51 -2.778 -4.735 -0.539 1.00 0.00 N ATOM 781 CA TRP A 51 -1.386 -5.044 -0.230 1.00 0.00 C ATOM 782 C TRP A 51 -1.181 -6.549 -0.092 1.00 0.00 C ATOM 783 O TRP A 51 -0.530 -7.175 -0.929 1.00 0.00 O ATOM 784 CB TRP A 51 -0.960 -4.339 1.058 1.00 0.00 C ATOM 785 CG TRP A 51 0.355 -4.820 1.592 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.553 -5.785 2.538 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.656 -4.357 1.211 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.897 -5.949 2.769 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.595 -5.086 1.967 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.118 -3.399 0.305 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.967 -4.884 1.842 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.480 -3.199 0.183 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.392 -3.940 0.948 1.00 0.00 C ATOM 0 H TRP A 51 -3.270 -4.226 0.195 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.768 -4.686 -1.053 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.898 -3.267 0.873 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.728 -4.488 1.817 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.232 -6.338 3.032 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.309 -6.607 3.431 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.423 -2.825 -0.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.671 -5.453 2.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.848 -2.460 -0.513 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.451 -3.762 0.829 1.00 0.00 H new ATOM 804 N TYR A 52 -1.739 -7.123 0.968 1.00 0.00 N ATOM 805 CA TYR A 52 -1.614 -8.554 1.216 1.00 0.00 C ATOM 806 C TYR A 52 -2.149 -9.360 0.036 1.00 0.00 C ATOM 807 O TYR A 52 -1.794 -10.524 -0.146 1.00 0.00 O ATOM 808 CB TYR A 52 -2.364 -8.939 2.492 1.00 0.00 C ATOM 809 CG TYR A 52 -1.574 -8.691 3.757 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.473 -9.475 4.077 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.929 -7.671 4.632 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.252 -9.251 5.232 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.209 -7.439 5.788 1.00 0.00 C ATOM 814 CZ TYR A 52 -0.120 -8.233 6.084 1.00 0.00 C ATOM 815 OH TYR A 52 0.599 -8.006 7.235 1.00 0.00 O ATOM 0 H TYR A 52 -2.282 -6.619 1.669 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.556 -8.784 1.341 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.296 -8.376 2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.631 -9.994 2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.178 -10.273 3.412 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.782 -7.049 4.404 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.105 -9.870 5.466 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.497 -6.641 6.456 1.00 0.00 H new ATOM 0 HH TYR A 52 0.206 -7.252 7.723 1.00 0.00 H new ATOM 825 N GLU A 53 -3.005 -8.731 -0.763 1.00 0.00 N ATOM 826 CA GLU A 53 -3.589 -9.389 -1.926 1.00 0.00 C ATOM 827 C GLU A 53 -2.514 -9.741 -2.949 1.00 0.00 C ATOM 828 O GLU A 53 -2.340 -10.906 -3.307 1.00 0.00 O ATOM 829 CB GLU A 53 -4.647 -8.490 -2.570 1.00 0.00 C ATOM 830 CG GLU A 53 -6.048 -8.713 -2.026 1.00 0.00 C ATOM 831 CD GLU A 53 -7.106 -7.966 -2.815 1.00 0.00 C ATOM 832 OE1 GLU A 53 -6.816 -6.846 -3.285 1.00 0.00 O ATOM 833 OE2 GLU A 53 -8.224 -8.503 -2.962 1.00 0.00 O ATOM 0 H GLU A 53 -3.309 -7.767 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.062 -10.312 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.368 -7.448 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.652 -8.663 -3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.274 -9.779 -2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.084 -8.394 -0.984 1.00 0.00 H new ATOM 840 N TRP A 54 -1.795 -8.726 -3.416 1.00 0.00 N ATOM 841 CA TRP A 54 -0.737 -8.928 -4.399 1.00 0.00 C ATOM 842 C TRP A 54 0.579 -8.332 -3.912 1.00 0.00 C ATOM 843 O TRP A 54 1.641 -8.939 -4.062 1.00 0.00 O ATOM 844 CB TRP A 54 -1.130 -8.303 -5.739 1.00 0.00 C ATOM 845 CG TRP A 54 -2.607 -8.327 -5.995 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.455 -7.257 -6.002 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.408 -9.479 -6.279 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.736 -7.674 -6.273 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.733 -9.033 -6.448 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.135 -10.843 -6.410 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -5.780 -9.904 -6.739 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.175 -11.706 -6.698 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.484 -11.234 -6.861 1.00 0.00 C ATOM 0 H TRP A 54 -1.925 -7.756 -3.130 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.601 -10.001 -4.534 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.780 -7.271 -5.767 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.620 -8.834 -6.543 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.162 -6.233 -5.821 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.556 -7.070 -6.334 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.129 -11.216 -6.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.790 -9.542 -6.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.975 -12.763 -6.799 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.275 -11.934 -7.087 1.00 0.00 H new ATOM 864 N LEU A 55 0.504 -7.141 -3.329 1.00 0.00 N ATOM 865 CA LEU A 55 1.690 -6.462 -2.820 1.00 0.00 C ATOM 866 C LEU A 55 2.055 -6.973 -1.430 1.00 0.00 C ATOM 867 O LEU A 55 1.677 -6.379 -0.420 1.00 0.00 O ATOM 868 CB LEU A 55 1.458 -4.950 -2.775 1.00 0.00 C ATOM 869 CG LEU A 55 0.488 -4.390 -3.815 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.440 -2.872 -3.737 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.885 -4.842 -5.213 1.00 0.00 C ATOM 0 H LEU A 55 -0.366 -6.625 -3.197 1.00 0.00 H new ATOM 0 HA LEU A 55 2.518 -6.676 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.088 -4.689 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.419 -4.451 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.508 -4.776 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.256 -2.491 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.107 -2.569 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.434 -2.466 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.183 -4.434 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.890 -4.486 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.866 -5.931 -5.262 1.00 0.00 H new ATOM 883 N ASP A 56 2.794 -8.076 -1.386 1.00 0.00 N ATOM 884 CA ASP A 56 3.213 -8.666 -0.119 1.00 0.00 C ATOM 885 C ASP A 56 4.291 -9.722 -0.342 1.00 0.00 C ATOM 886 O ASP A 56 4.184 -10.577 -1.221 1.00 0.00 O ATOM 887 CB ASP A 56 2.015 -9.286 0.600 1.00 0.00 C ATOM 888 CG ASP A 56 2.405 -10.478 1.453 1.00 0.00 C ATOM 889 OD1 ASP A 56 3.515 -10.460 2.025 1.00 0.00 O ATOM 890 OD2 ASP A 56 1.600 -11.427 1.548 1.00 0.00 O ATOM 0 H ASP A 56 3.115 -8.580 -2.213 1.00 0.00 H new ATOM 0 HA ASP A 56 3.629 -7.873 0.503 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.542 -8.532 1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.274 -9.597 -0.136 1.00 0.00 H new ATOM 895 N PRO A 57 5.356 -9.661 0.471 1.00 0.00 N ATOM 896 CA PRO A 57 6.475 -10.605 0.381 1.00 0.00 C ATOM 897 C PRO A 57 6.087 -12.009 0.833 1.00 0.00 C ATOM 898 O PRO A 57 6.454 -12.998 0.199 1.00 0.00 O ATOM 899 CB PRO A 57 7.519 -10.008 1.329 1.00 0.00 C ATOM 900 CG PRO A 57 6.730 -9.204 2.304 1.00 0.00 C ATOM 901 CD PRO A 57 5.550 -8.668 1.540 1.00 0.00 C ATOM 0 HA PRO A 57 6.827 -10.723 -0.644 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.091 -10.789 1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.234 -9.386 0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.405 -9.818 3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.329 -8.392 2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.667 -8.582 2.173 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.750 -7.676 1.135 1.00 0.00 H new