USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 493 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 39 LYS NZ :NH3+ -138:sc= 0.418 (180deg=-0.0844) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.67 K(o=-0.25,f=-4.2) USER MOD Set 2.1: A 19 ASN : amide:sc= -0.178 X(o=-1,f=-1) USER MOD Set 2.2: A 21 MET CE :methyl 174:sc= -0.858 (180deg=-0.984) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 30:sc= 0.262 USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 0.938 (180deg=0.296) USER MOD Single : A 28 ASN : amide:sc= 0.972 K(o=0.97,f=-0.26) USER MOD Single : A 30 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-2.5!) USER MOD Single : A 35 HIS : no HE2:sc= -0.672 K(o=-0.67,f=-2.2) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= 2.03 (180deg=1.73) USER MOD Single : A 54 THR OG1 : rot -47:sc= -0.106! USER MOD Single : A 57 MET CE :methyl 149:sc= -2.98! (180deg=-3.57!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -101:sc= 1.31 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 6 8.270 -9.013 6.403 1.00 0.00 N ATOM 82 CA VAL A 6 7.456 -8.001 5.809 1.00 0.00 C ATOM 83 C VAL A 6 6.823 -8.590 4.562 1.00 0.00 C ATOM 84 O VAL A 6 7.451 -9.373 3.855 1.00 0.00 O ATOM 85 CB VAL A 6 8.317 -6.747 5.420 1.00 0.00 C ATOM 86 CG1 VAL A 6 7.463 -5.635 4.829 1.00 0.00 C ATOM 87 CG2 VAL A 6 9.104 -6.222 6.617 1.00 0.00 C ATOM 0 HA VAL A 6 6.695 -7.677 6.519 1.00 0.00 H new ATOM 0 HB VAL A 6 9.022 -7.075 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.097 -4.786 4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.963 -5.998 3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.716 -5.323 5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.690 -5.354 6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.413 -5.935 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.773 -7.001 6.983 1.00 0.00 H new ATOM 97 N ILE A 7 5.607 -8.227 4.292 1.00 0.00 N ATOM 98 CA ILE A 7 4.944 -8.687 3.120 1.00 0.00 C ATOM 99 C ILE A 7 4.942 -7.541 2.146 1.00 0.00 C ATOM 100 O ILE A 7 4.535 -6.417 2.485 1.00 0.00 O ATOM 101 CB ILE A 7 3.484 -9.145 3.391 1.00 0.00 C ATOM 102 CG1 ILE A 7 3.443 -10.201 4.503 1.00 0.00 C ATOM 103 CG2 ILE A 7 2.877 -9.723 2.115 1.00 0.00 C ATOM 104 CD1 ILE A 7 2.048 -10.716 4.810 1.00 0.00 C ATOM 0 H ILE A 7 5.051 -7.605 4.879 1.00 0.00 H new ATOM 0 HA ILE A 7 5.469 -9.560 2.733 1.00 0.00 H new ATOM 0 HB ILE A 7 2.906 -8.278 3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.075 -11.041 4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.871 -9.776 5.411 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.853 -10.042 2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.876 -8.962 1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.467 -10.578 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.101 -11.459 5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.416 -9.887 5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.624 -11.173 3.916 1.00 0.00 H new ATOM 116 N GLU A 8 5.426 -7.806 0.979 1.00 0.00 N ATOM 117 CA GLU A 8 5.570 -6.809 -0.032 1.00 0.00 C ATOM 118 C GLU A 8 4.437 -6.998 -1.017 1.00 0.00 C ATOM 119 O GLU A 8 4.355 -8.032 -1.693 1.00 0.00 O ATOM 120 CB GLU A 8 6.920 -7.045 -0.704 1.00 0.00 C ATOM 121 CG GLU A 8 8.060 -7.150 0.309 1.00 0.00 C ATOM 122 CD GLU A 8 9.301 -7.776 -0.256 1.00 0.00 C ATOM 123 OE1 GLU A 8 9.199 -8.881 -0.828 1.00 0.00 O ATOM 124 OE2 GLU A 8 10.398 -7.235 -0.064 1.00 0.00 O ATOM 0 H GLU A 8 5.738 -8.735 0.695 1.00 0.00 H new ATOM 0 HA GLU A 8 5.534 -5.795 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.875 -7.961 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.126 -6.229 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.301 -6.153 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.724 -7.735 1.165 1.00 0.00 H new ATOM 131 N LEU A 9 3.579 -6.023 -1.091 1.00 0.00 N ATOM 132 CA LEU A 9 2.390 -6.086 -1.910 1.00 0.00 C ATOM 133 C LEU A 9 2.297 -4.831 -2.721 1.00 0.00 C ATOM 134 O LEU A 9 2.966 -3.859 -2.421 1.00 0.00 O ATOM 135 CB LEU A 9 1.116 -6.193 -1.034 1.00 0.00 C ATOM 136 CG LEU A 9 1.003 -7.388 -0.071 1.00 0.00 C ATOM 137 CD1 LEU A 9 -0.318 -7.338 0.674 1.00 0.00 C ATOM 138 CD2 LEU A 9 1.134 -8.706 -0.823 1.00 0.00 C ATOM 0 H LEU A 9 3.681 -5.147 -0.579 1.00 0.00 H new ATOM 0 HA LEU A 9 2.457 -6.966 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.038 -5.280 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.253 -6.217 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 9 1.818 -7.324 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.386 -8.189 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.378 -6.412 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.140 -7.377 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.051 -9.535 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.342 -8.780 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.104 -8.747 -1.319 1.00 0.00 H new ATOM 150 N GLU A 10 1.532 -4.850 -3.756 1.00 0.00 N ATOM 151 CA GLU A 10 1.277 -3.647 -4.475 1.00 0.00 C ATOM 152 C GLU A 10 -0.180 -3.304 -4.380 1.00 0.00 C ATOM 153 O GLU A 10 -1.000 -4.125 -3.914 1.00 0.00 O ATOM 154 CB GLU A 10 1.702 -3.699 -5.932 1.00 0.00 C ATOM 155 CG GLU A 10 3.179 -3.899 -6.165 1.00 0.00 C ATOM 156 CD GLU A 10 3.588 -3.328 -7.490 1.00 0.00 C ATOM 157 OE1 GLU A 10 3.186 -3.887 -8.543 1.00 0.00 O ATOM 158 OE2 GLU A 10 4.263 -2.289 -7.494 1.00 0.00 O ATOM 0 H GLU A 10 1.072 -5.682 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 10 1.887 -2.873 -4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.161 -4.508 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.397 -2.771 -6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.746 -3.421 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.417 -4.962 -6.132 1.00 0.00 H new ATOM 165 N GLY A 11 -0.497 -2.112 -4.754 1.00 0.00 N ATOM 166 CA GLY A 11 -1.842 -1.692 -4.779 1.00 0.00 C ATOM 167 C GLY A 11 -2.013 -0.511 -5.668 1.00 0.00 C ATOM 168 O GLY A 11 -1.028 0.081 -6.122 1.00 0.00 O ATOM 0 H GLY A 11 0.176 -1.405 -5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.476 -2.508 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.168 -1.442 -3.769 1.00 0.00 H new ATOM 172 N THR A 12 -3.223 -0.157 -5.895 1.00 0.00 N ATOM 173 CA THR A 12 -3.560 0.960 -6.709 1.00 0.00 C ATOM 174 C THR A 12 -4.241 1.987 -5.824 1.00 0.00 C ATOM 175 O THR A 12 -5.175 1.662 -5.091 1.00 0.00 O ATOM 176 CB THR A 12 -4.516 0.529 -7.821 1.00 0.00 C ATOM 177 OG1 THR A 12 -3.955 -0.612 -8.500 1.00 0.00 O ATOM 178 CG2 THR A 12 -4.724 1.660 -8.822 1.00 0.00 C ATOM 0 H THR A 12 -4.032 -0.646 -5.511 1.00 0.00 H new ATOM 0 HA THR A 12 -2.664 1.378 -7.167 1.00 0.00 H new ATOM 0 HB THR A 12 -5.480 0.274 -7.382 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.561 -0.898 -9.215 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.408 1.332 -9.605 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.146 2.525 -8.311 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.767 1.933 -9.267 1.00 0.00 H new ATOM 186 N VAL A 13 -3.765 3.186 -5.853 1.00 0.00 N ATOM 187 CA VAL A 13 -4.316 4.218 -5.012 1.00 0.00 C ATOM 188 C VAL A 13 -5.468 4.914 -5.688 1.00 0.00 C ATOM 189 O VAL A 13 -5.379 5.287 -6.848 1.00 0.00 O ATOM 190 CB VAL A 13 -3.235 5.212 -4.512 1.00 0.00 C ATOM 191 CG1 VAL A 13 -2.413 5.724 -5.642 1.00 0.00 C ATOM 192 CG2 VAL A 13 -3.841 6.363 -3.721 1.00 0.00 C ATOM 0 H VAL A 13 -2.993 3.485 -6.449 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.711 3.732 -4.120 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.582 4.660 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.664 6.418 -5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.916 4.890 -6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.056 6.239 -6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.048 7.034 -3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.540 6.910 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.369 5.969 -2.852 1.00 0.00 H new ATOM 202 N LEU A 14 -6.555 5.041 -4.984 1.00 0.00 N ATOM 203 CA LEU A 14 -7.725 5.672 -5.536 1.00 0.00 C ATOM 204 C LEU A 14 -7.925 7.071 -4.987 1.00 0.00 C ATOM 205 O LEU A 14 -8.328 7.966 -5.714 1.00 0.00 O ATOM 206 CB LEU A 14 -8.982 4.816 -5.327 1.00 0.00 C ATOM 207 CG LEU A 14 -8.983 3.429 -5.992 1.00 0.00 C ATOM 208 CD1 LEU A 14 -10.294 2.710 -5.724 1.00 0.00 C ATOM 209 CD2 LEU A 14 -8.739 3.540 -7.495 1.00 0.00 C ATOM 0 H LEU A 14 -6.659 4.716 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.557 5.761 -6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.129 4.681 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.841 5.374 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.169 2.849 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.276 1.731 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.428 2.587 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.120 3.296 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.745 2.545 -7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.525 4.144 -7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.772 4.011 -7.673 1.00 0.00 H new ATOM 221 N ASP A 15 -7.590 7.275 -3.726 1.00 0.00 N ATOM 222 CA ASP A 15 -7.899 8.551 -3.085 1.00 0.00 C ATOM 223 C ASP A 15 -6.672 9.109 -2.392 1.00 0.00 C ATOM 224 O ASP A 15 -5.795 8.355 -1.930 1.00 0.00 O ATOM 225 CB ASP A 15 -9.007 8.390 -2.031 1.00 0.00 C ATOM 226 CG ASP A 15 -10.287 7.722 -2.528 1.00 0.00 C ATOM 227 OD1 ASP A 15 -10.321 6.453 -2.590 1.00 0.00 O ATOM 228 OD2 ASP A 15 -11.262 8.423 -2.796 1.00 0.00 O ATOM 0 H ASP A 15 -7.115 6.595 -3.133 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.234 9.230 -3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.612 7.808 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.259 9.375 -1.639 1.00 0.00 H new ATOM 233 N THR A 16 -6.622 10.408 -2.281 1.00 0.00 N ATOM 234 CA THR A 16 -5.534 11.100 -1.633 1.00 0.00 C ATOM 235 C THR A 16 -5.936 11.492 -0.221 1.00 0.00 C ATOM 236 O THR A 16 -6.977 12.128 -0.026 1.00 0.00 O ATOM 237 CB THR A 16 -5.203 12.376 -2.416 1.00 0.00 C ATOM 238 OG1 THR A 16 -6.430 13.067 -2.719 1.00 0.00 O ATOM 239 CG2 THR A 16 -4.479 12.054 -3.699 1.00 0.00 C ATOM 0 H THR A 16 -7.346 11.028 -2.643 1.00 0.00 H new ATOM 0 HA THR A 16 -4.667 10.440 -1.600 1.00 0.00 H new ATOM 0 HB THR A 16 -4.552 13.003 -1.806 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.090 12.885 -2.018 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.257 12.978 -4.233 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.548 11.534 -3.471 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.107 11.417 -4.321 1.00 0.00 H new ATOM 247 N LEU A 17 -5.135 11.128 0.746 1.00 0.00 N ATOM 248 CA LEU A 17 -5.426 11.451 2.115 1.00 0.00 C ATOM 249 C LEU A 17 -4.420 12.511 2.607 1.00 0.00 C ATOM 250 O LEU A 17 -3.314 12.614 2.078 1.00 0.00 O ATOM 251 CB LEU A 17 -5.374 10.199 3.014 1.00 0.00 C ATOM 252 CG LEU A 17 -6.278 8.996 2.657 1.00 0.00 C ATOM 253 CD1 LEU A 17 -6.196 7.945 3.749 1.00 0.00 C ATOM 254 CD2 LEU A 17 -7.722 9.426 2.431 1.00 0.00 C ATOM 0 H LEU A 17 -4.271 10.604 0.608 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.439 11.849 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.343 9.845 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.621 10.509 4.029 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.917 8.567 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.835 7.101 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.166 7.603 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.528 8.375 4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.327 8.554 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.110 9.890 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.764 10.143 1.611 1.00 0.00 H new ATOM 266 N PRO A 18 -4.799 13.365 3.555 1.00 0.00 N ATOM 267 CA PRO A 18 -3.894 14.370 4.096 1.00 0.00 C ATOM 268 C PRO A 18 -2.850 13.781 5.064 1.00 0.00 C ATOM 269 O PRO A 18 -3.063 12.720 5.658 1.00 0.00 O ATOM 270 CB PRO A 18 -4.819 15.357 4.836 1.00 0.00 C ATOM 271 CG PRO A 18 -6.218 14.900 4.556 1.00 0.00 C ATOM 272 CD PRO A 18 -6.127 13.452 4.177 1.00 0.00 C ATOM 0 HA PRO A 18 -3.309 14.835 3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.615 15.355 5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.664 16.377 4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.852 15.032 5.433 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.663 15.484 3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.211 12.800 5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.918 13.164 3.485 1.00 0.00 H new ATOM 280 N ASN A 19 -1.702 14.467 5.150 1.00 0.00 N ATOM 281 CA ASN A 19 -0.601 14.153 6.095 1.00 0.00 C ATOM 282 C ASN A 19 0.170 12.892 5.668 1.00 0.00 C ATOM 283 O ASN A 19 0.487 12.029 6.481 1.00 0.00 O ATOM 284 CB ASN A 19 -1.113 14.058 7.562 1.00 0.00 C ATOM 285 CG ASN A 19 -0.002 14.195 8.614 1.00 0.00 C ATOM 286 OD1 ASN A 19 0.308 15.292 9.050 1.00 0.00 O ATOM 287 ND2 ASN A 19 0.597 13.104 9.016 1.00 0.00 N ATOM 0 H ASN A 19 -1.501 15.272 4.557 1.00 0.00 H new ATOM 0 HA ASN A 19 0.105 14.983 6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.857 14.837 7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.616 13.101 7.701 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.343 13.158 9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.319 12.200 8.635 1.00 0.00 H new ATOM 294 N ALA A 20 0.410 12.786 4.354 1.00 0.00 N ATOM 295 CA ALA A 20 1.235 11.716 3.742 1.00 0.00 C ATOM 296 C ALA A 20 0.537 10.351 3.753 1.00 0.00 C ATOM 297 O ALA A 20 1.158 9.307 3.470 1.00 0.00 O ATOM 298 CB ALA A 20 2.632 11.640 4.381 1.00 0.00 C ATOM 0 H ALA A 20 0.036 13.445 3.671 1.00 0.00 H new ATOM 0 HA ALA A 20 1.364 11.990 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.206 10.845 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.147 12.591 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.534 11.431 5.446 1.00 0.00 H new ATOM 304 N MET A 21 -0.738 10.367 4.065 1.00 0.00 N ATOM 305 CA MET A 21 -1.555 9.179 4.031 1.00 0.00 C ATOM 306 C MET A 21 -2.154 9.043 2.649 1.00 0.00 C ATOM 307 O MET A 21 -2.391 10.029 1.978 1.00 0.00 O ATOM 308 CB MET A 21 -2.708 9.255 5.047 1.00 0.00 C ATOM 309 CG MET A 21 -2.606 8.327 6.248 1.00 0.00 C ATOM 310 SD MET A 21 -1.333 8.777 7.443 1.00 0.00 S ATOM 311 CE MET A 21 -1.959 10.361 8.013 1.00 0.00 C ATOM 0 H MET A 21 -1.239 11.209 4.351 1.00 0.00 H new ATOM 0 HA MET A 21 -0.924 8.326 4.281 1.00 0.00 H new ATOM 0 HB2 MET A 21 -2.777 10.280 5.411 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.640 9.039 4.525 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.570 8.305 6.756 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.410 7.315 5.893 1.00 0.00 H new ATOM 0 HE1 MET A 21 -1.340 10.723 8.834 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.931 11.079 7.194 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.986 10.244 8.357 1.00 0.00 H new ATOM 321 N PHE A 22 -2.373 7.852 2.222 1.00 0.00 N ATOM 322 CA PHE A 22 -3.043 7.600 0.967 1.00 0.00 C ATOM 323 C PHE A 22 -3.973 6.439 1.131 1.00 0.00 C ATOM 324 O PHE A 22 -3.703 5.537 1.930 1.00 0.00 O ATOM 325 CB PHE A 22 -2.054 7.337 -0.193 1.00 0.00 C ATOM 326 CG PHE A 22 -1.366 8.571 -0.733 1.00 0.00 C ATOM 327 CD1 PHE A 22 -0.216 9.064 -0.148 1.00 0.00 C ATOM 328 CD2 PHE A 22 -1.883 9.233 -1.835 1.00 0.00 C ATOM 329 CE1 PHE A 22 0.405 10.194 -0.646 1.00 0.00 C ATOM 330 CE2 PHE A 22 -1.264 10.361 -2.338 1.00 0.00 C ATOM 331 CZ PHE A 22 -0.119 10.841 -1.743 1.00 0.00 C ATOM 0 H PHE A 22 -2.096 7.009 2.726 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.603 8.497 0.702 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.294 6.635 0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.592 6.853 -1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.204 8.560 0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.781 8.863 -2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.301 10.570 -0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.678 10.866 -3.198 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.367 11.722 -2.135 1.00 0.00 H new ATOM 341 N LYS A 23 -5.075 6.467 0.431 1.00 0.00 N ATOM 342 CA LYS A 23 -6.000 5.371 0.462 1.00 0.00 C ATOM 343 C LYS A 23 -5.745 4.531 -0.744 1.00 0.00 C ATOM 344 O LYS A 23 -6.018 4.940 -1.890 1.00 0.00 O ATOM 345 CB LYS A 23 -7.449 5.833 0.505 1.00 0.00 C ATOM 346 CG LYS A 23 -8.441 4.700 0.294 1.00 0.00 C ATOM 347 CD LYS A 23 -9.866 5.184 0.316 1.00 0.00 C ATOM 348 CE LYS A 23 -10.784 4.167 -0.340 1.00 0.00 C ATOM 349 NZ LYS A 23 -10.426 3.966 -1.769 1.00 0.00 N ATOM 0 H LYS A 23 -5.353 7.242 -0.170 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.844 4.796 1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.645 6.306 1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.605 6.593 -0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.238 4.214 -0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.302 3.948 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.182 5.357 1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.940 6.139 -0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.719 3.218 0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.818 4.504 -0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.196 3.460 -2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.280 4.890 -2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.551 3.407 -1.832 1.00 0.00 H new ATOM 363 N VAL A 24 -5.187 3.410 -0.505 1.00 0.00 N ATOM 364 CA VAL A 24 -4.774 2.542 -1.568 1.00 0.00 C ATOM 365 C VAL A 24 -5.508 1.228 -1.456 1.00 0.00 C ATOM 366 O VAL A 24 -5.821 0.785 -0.367 1.00 0.00 O ATOM 367 CB VAL A 24 -3.217 2.314 -1.533 1.00 0.00 C ATOM 368 CG1 VAL A 24 -2.702 1.542 -2.728 1.00 0.00 C ATOM 369 CG2 VAL A 24 -2.461 3.623 -1.358 1.00 0.00 C ATOM 0 H VAL A 24 -4.997 3.054 0.432 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.018 3.009 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.026 1.693 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.622 1.419 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.178 0.562 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.934 2.089 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.389 3.424 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.691 4.290 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.760 4.093 -0.421 1.00 0.00 H new ATOM 379 N GLU A 25 -5.834 0.655 -2.565 1.00 0.00 N ATOM 380 CA GLU A 25 -6.420 -0.637 -2.584 1.00 0.00 C ATOM 381 C GLU A 25 -5.449 -1.632 -3.144 1.00 0.00 C ATOM 382 O GLU A 25 -4.876 -1.422 -4.204 1.00 0.00 O ATOM 383 CB GLU A 25 -7.746 -0.681 -3.337 1.00 0.00 C ATOM 384 CG GLU A 25 -8.960 -0.288 -2.504 1.00 0.00 C ATOM 385 CD GLU A 25 -8.967 1.170 -2.018 1.00 0.00 C ATOM 386 OE1 GLU A 25 -8.866 2.097 -2.849 1.00 0.00 O ATOM 387 OE2 GLU A 25 -9.109 1.417 -0.811 1.00 0.00 O ATOM 0 H GLU A 25 -5.700 1.073 -3.486 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.652 -0.900 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.682 -0.016 -4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.897 -1.689 -3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.859 -0.463 -3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.015 -0.945 -1.636 1.00 0.00 H new ATOM 394 N LEU A 26 -5.243 -2.691 -2.406 1.00 0.00 N ATOM 395 CA LEU A 26 -4.330 -3.773 -2.794 1.00 0.00 C ATOM 396 C LEU A 26 -4.789 -4.452 -4.077 1.00 0.00 C ATOM 397 O LEU A 26 -5.940 -4.311 -4.476 1.00 0.00 O ATOM 398 CB LEU A 26 -4.258 -4.840 -1.691 1.00 0.00 C ATOM 399 CG LEU A 26 -3.576 -4.451 -0.384 1.00 0.00 C ATOM 400 CD1 LEU A 26 -3.719 -5.570 0.635 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.104 -4.167 -0.627 1.00 0.00 C ATOM 0 H LEU A 26 -5.701 -2.843 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.350 -3.322 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.276 -5.155 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.740 -5.709 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.054 -3.552 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.228 -5.281 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.776 -5.756 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.256 -6.477 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.627 -3.890 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.623 -5.059 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.004 -3.348 -1.339 1.00 0.00 H new ATOM 413 N GLU A 27 -3.893 -5.249 -4.662 1.00 0.00 N ATOM 414 CA GLU A 27 -4.169 -6.057 -5.881 1.00 0.00 C ATOM 415 C GLU A 27 -5.426 -6.939 -5.669 1.00 0.00 C ATOM 416 O GLU A 27 -6.134 -7.284 -6.600 1.00 0.00 O ATOM 417 CB GLU A 27 -2.988 -7.012 -6.134 1.00 0.00 C ATOM 418 CG GLU A 27 -1.604 -6.370 -6.167 1.00 0.00 C ATOM 419 CD GLU A 27 -1.373 -5.441 -7.336 1.00 0.00 C ATOM 420 OE1 GLU A 27 -0.904 -5.909 -8.390 1.00 0.00 O ATOM 421 OE2 GLU A 27 -1.571 -4.220 -7.199 1.00 0.00 O ATOM 0 H GLU A 27 -2.942 -5.362 -4.310 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.319 -5.374 -6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.993 -7.778 -5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.154 -7.520 -7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.453 -5.814 -5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.852 -7.159 -6.191 1.00 0.00 H new ATOM 428 N ASN A 28 -5.677 -7.276 -4.410 1.00 0.00 N ATOM 429 CA ASN A 28 -6.779 -8.154 -4.018 1.00 0.00 C ATOM 430 C ASN A 28 -8.091 -7.340 -3.872 1.00 0.00 C ATOM 431 O ASN A 28 -9.160 -7.904 -3.690 1.00 0.00 O ATOM 432 CB ASN A 28 -6.403 -8.828 -2.668 1.00 0.00 C ATOM 433 CG ASN A 28 -7.197 -10.101 -2.271 1.00 0.00 C ATOM 434 OD1 ASN A 28 -6.658 -10.962 -1.604 1.00 0.00 O ATOM 435 ND2 ASN A 28 -8.446 -10.218 -2.635 1.00 0.00 N ATOM 0 H ASN A 28 -5.118 -6.946 -3.623 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.943 -8.915 -4.781 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.344 -9.086 -2.701 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.527 -8.090 -1.875 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.983 -11.040 -2.359 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.885 -9.487 -3.195 1.00 0.00 H new ATOM 442 N GLY A 29 -8.007 -6.022 -3.965 1.00 0.00 N ATOM 443 CA GLY A 29 -9.208 -5.211 -3.815 1.00 0.00 C ATOM 444 C GLY A 29 -9.462 -4.791 -2.376 1.00 0.00 C ATOM 445 O GLY A 29 -10.532 -4.323 -2.050 1.00 0.00 O ATOM 0 H GLY A 29 -7.147 -5.502 -4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.119 -4.321 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.068 -5.772 -4.182 1.00 0.00 H new ATOM 449 N HIS A 30 -8.481 -5.002 -1.515 1.00 0.00 N ATOM 450 CA HIS A 30 -8.618 -4.670 -0.111 1.00 0.00 C ATOM 451 C HIS A 30 -8.192 -3.247 0.074 1.00 0.00 C ATOM 452 O HIS A 30 -7.302 -2.783 -0.622 1.00 0.00 O ATOM 453 CB HIS A 30 -7.698 -5.548 0.733 1.00 0.00 C ATOM 454 CG HIS A 30 -7.985 -5.510 2.222 1.00 0.00 C ATOM 455 ND1 HIS A 30 -7.083 -5.041 3.159 1.00 0.00 N ATOM 456 CD2 HIS A 30 -9.094 -5.843 2.914 1.00 0.00 C ATOM 457 CE1 HIS A 30 -7.634 -5.083 4.350 1.00 0.00 C ATOM 458 NE2 HIS A 30 -8.858 -5.556 4.235 1.00 0.00 N ATOM 0 H HIS A 30 -7.578 -5.404 -1.767 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.652 -4.824 0.197 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.781 -6.578 0.386 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.667 -5.237 0.566 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.002 -6.259 2.503 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.161 -4.780 5.272 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -9.520 -5.687 5.000 1.00 0.00 H new ATOM 467 N GLU A 31 -8.705 -2.646 1.065 1.00 0.00 N ATOM 468 CA GLU A 31 -8.466 -1.293 1.370 1.00 0.00 C ATOM 469 C GLU A 31 -7.325 -1.230 2.364 1.00 0.00 C ATOM 470 O GLU A 31 -7.223 -2.062 3.286 1.00 0.00 O ATOM 471 CB GLU A 31 -9.750 -0.700 2.012 1.00 0.00 C ATOM 472 CG GLU A 31 -10.123 -1.249 3.433 1.00 0.00 C ATOM 473 CD GLU A 31 -10.415 -2.751 3.536 1.00 0.00 C ATOM 474 OE1 GLU A 31 -10.779 -3.380 2.529 1.00 0.00 O ATOM 475 OE2 GLU A 31 -10.220 -3.339 4.634 1.00 0.00 O ATOM 0 H GLU A 31 -9.336 -3.103 1.723 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.211 -0.728 0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.632 0.381 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.588 -0.887 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.305 -1.014 4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.999 -0.707 3.788 1.00 0.00 H new ATOM 482 N ILE A 32 -6.423 -0.345 2.130 1.00 0.00 N ATOM 483 CA ILE A 32 -5.318 -0.145 3.008 1.00 0.00 C ATOM 484 C ILE A 32 -5.041 1.331 3.145 1.00 0.00 C ATOM 485 O ILE A 32 -5.254 2.119 2.210 1.00 0.00 O ATOM 486 CB ILE A 32 -4.006 -0.868 2.537 1.00 0.00 C ATOM 487 CG1 ILE A 32 -3.629 -0.438 1.133 1.00 0.00 C ATOM 488 CG2 ILE A 32 -4.157 -2.379 2.597 1.00 0.00 C ATOM 489 CD1 ILE A 32 -2.258 -0.878 0.687 1.00 0.00 C ATOM 0 H ILE A 32 -6.428 0.269 1.316 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.601 -0.583 3.965 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.208 -0.577 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.368 -0.834 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.684 0.649 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.232 -2.851 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.372 -2.683 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.976 -2.689 1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.075 -0.526 -0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.506 -0.461 1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.200 -1.966 0.709 1.00 0.00 H new ATOM 501 N LEU A 33 -4.587 1.713 4.283 1.00 0.00 N ATOM 502 CA LEU A 33 -4.204 3.059 4.480 1.00 0.00 C ATOM 503 C LEU A 33 -2.717 3.086 4.396 1.00 0.00 C ATOM 504 O LEU A 33 -2.010 2.397 5.148 1.00 0.00 O ATOM 505 CB LEU A 33 -4.700 3.558 5.830 1.00 0.00 C ATOM 506 CG LEU A 33 -6.220 3.547 6.003 1.00 0.00 C ATOM 507 CD1 LEU A 33 -6.597 3.899 7.430 1.00 0.00 C ATOM 508 CD2 LEU A 33 -6.881 4.517 5.032 1.00 0.00 C ATOM 0 H LEU A 33 -4.472 1.107 5.095 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.640 3.718 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.256 2.944 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.339 4.576 5.979 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.578 2.541 5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.682 3.886 7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.159 3.171 8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.221 4.894 7.671 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.962 4.493 5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.513 5.526 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.642 4.227 4.009 1.00 0.00 H new ATOM 520 N ALA A 34 -2.237 3.874 3.529 1.00 0.00 N ATOM 521 CA ALA A 34 -0.863 3.873 3.225 1.00 0.00 C ATOM 522 C ALA A 34 -0.191 5.122 3.675 1.00 0.00 C ATOM 523 O ALA A 34 -0.833 6.132 3.939 1.00 0.00 O ATOM 524 CB ALA A 34 -0.681 3.677 1.753 1.00 0.00 C ATOM 0 H ALA A 34 -2.789 4.549 3.000 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.395 3.050 3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.383 3.676 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.120 2.725 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.172 4.487 1.215 1.00 0.00 H new ATOM 530 N HIS A 35 1.090 5.019 3.822 1.00 0.00 N ATOM 531 CA HIS A 35 1.935 6.086 4.178 1.00 0.00 C ATOM 532 C HIS A 35 3.023 6.112 3.171 1.00 0.00 C ATOM 533 O HIS A 35 3.558 5.058 2.829 1.00 0.00 O ATOM 534 CB HIS A 35 2.563 5.800 5.531 1.00 0.00 C ATOM 535 CG HIS A 35 1.609 5.757 6.664 1.00 0.00 C ATOM 536 ND1 HIS A 35 0.938 4.611 7.040 1.00 0.00 N ATOM 537 CD2 HIS A 35 1.197 6.725 7.496 1.00 0.00 C ATOM 538 CE1 HIS A 35 0.148 4.885 8.055 1.00 0.00 C ATOM 539 NE2 HIS A 35 0.283 6.165 8.356 1.00 0.00 N ATOM 0 H HIS A 35 1.589 4.140 3.688 1.00 0.00 H new ATOM 0 HA HIS A 35 1.383 7.025 4.220 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.086 4.845 5.478 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.314 6.563 5.736 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.039 3.696 6.600 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.523 7.755 7.491 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.501 4.183 8.557 1.00 0.00 H new ATOM 548 N VAL A 36 3.340 7.238 2.668 1.00 0.00 N ATOM 549 CA VAL A 36 4.450 7.315 1.771 1.00 0.00 C ATOM 550 C VAL A 36 5.727 7.431 2.571 1.00 0.00 C ATOM 551 O VAL A 36 5.724 7.974 3.682 1.00 0.00 O ATOM 552 CB VAL A 36 4.325 8.444 0.730 1.00 0.00 C ATOM 553 CG1 VAL A 36 3.190 8.141 -0.225 1.00 0.00 C ATOM 554 CG2 VAL A 36 4.127 9.805 1.391 1.00 0.00 C ATOM 0 H VAL A 36 2.860 8.119 2.851 1.00 0.00 H new ATOM 0 HA VAL A 36 4.466 6.396 1.185 1.00 0.00 H new ATOM 0 HB VAL A 36 5.259 8.492 0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.107 8.943 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.387 7.200 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.257 8.062 0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.043 10.574 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.216 9.790 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.980 10.025 2.033 1.00 0.00 H new ATOM 564 N SER A 37 6.787 6.847 2.066 1.00 0.00 N ATOM 565 CA SER A 37 8.047 6.859 2.753 1.00 0.00 C ATOM 566 C SER A 37 8.580 8.289 2.827 1.00 0.00 C ATOM 567 O SER A 37 8.153 9.164 2.053 1.00 0.00 O ATOM 568 CB SER A 37 9.057 5.945 2.051 1.00 0.00 C ATOM 569 OG SER A 37 9.547 6.540 0.853 1.00 0.00 O ATOM 0 H SER A 37 6.797 6.354 1.173 1.00 0.00 H new ATOM 0 HA SER A 37 7.899 6.482 3.765 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.890 5.736 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.586 4.990 1.819 1.00 0.00 H new ATOM 0 HG SER A 37 10.190 5.936 0.427 1.00 0.00 H new ATOM 575 N GLY A 38 9.502 8.522 3.750 1.00 0.00 N ATOM 576 CA GLY A 38 10.103 9.827 3.918 1.00 0.00 C ATOM 577 C GLY A 38 10.696 10.392 2.633 1.00 0.00 C ATOM 578 O GLY A 38 10.755 11.609 2.469 1.00 0.00 O ATOM 0 H GLY A 38 9.849 7.814 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.351 10.519 4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.886 9.763 4.673 1.00 0.00 H new ATOM 582 N LYS A 39 11.061 9.521 1.680 1.00 0.00 N ATOM 583 CA LYS A 39 11.664 10.001 0.461 1.00 0.00 C ATOM 584 C LYS A 39 10.599 10.610 -0.437 1.00 0.00 C ATOM 585 O LYS A 39 10.870 11.522 -1.165 1.00 0.00 O ATOM 586 CB LYS A 39 12.429 8.899 -0.290 1.00 0.00 C ATOM 587 CG LYS A 39 13.249 9.439 -1.468 1.00 0.00 C ATOM 588 CD LYS A 39 13.948 8.339 -2.249 1.00 0.00 C ATOM 589 CE LYS A 39 14.844 8.920 -3.349 1.00 0.00 C ATOM 590 NZ LYS A 39 14.089 9.755 -4.332 1.00 0.00 N ATOM 0 H LYS A 39 10.947 8.509 1.740 1.00 0.00 H new ATOM 0 HA LYS A 39 12.393 10.763 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.095 8.387 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.720 8.157 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.593 9.994 -2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.993 10.143 -1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.548 7.733 -1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.205 7.677 -2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.627 9.525 -2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.339 8.104 -3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.423 9.545 -5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.074 9.540 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.244 10.762 -4.124 1.00 0.00 H new ATOM 604 N ILE A 40 9.390 10.119 -0.338 1.00 0.00 N ATOM 605 CA ILE A 40 8.284 10.615 -1.154 1.00 0.00 C ATOM 606 C ILE A 40 7.701 11.883 -0.513 1.00 0.00 C ATOM 607 O ILE A 40 7.072 12.708 -1.165 1.00 0.00 O ATOM 608 CB ILE A 40 7.197 9.512 -1.316 1.00 0.00 C ATOM 609 CG1 ILE A 40 7.789 8.297 -2.046 1.00 0.00 C ATOM 610 CG2 ILE A 40 5.961 10.032 -2.057 1.00 0.00 C ATOM 611 CD1 ILE A 40 6.850 7.114 -2.158 1.00 0.00 C ATOM 0 H ILE A 40 9.134 9.368 0.303 1.00 0.00 H new ATOM 0 HA ILE A 40 8.650 10.869 -2.149 1.00 0.00 H new ATOM 0 HB ILE A 40 6.874 9.212 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.090 8.602 -3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.692 7.980 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.228 9.231 -2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.525 10.861 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.250 10.375 -3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.349 6.302 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.568 6.778 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.956 7.410 -2.708 1.00 0.00 H new ATOM 623 N ARG A 41 7.936 12.031 0.768 1.00 0.00 N ATOM 624 CA ARG A 41 7.493 13.204 1.472 1.00 0.00 C ATOM 625 C ARG A 41 8.469 14.349 1.132 1.00 0.00 C ATOM 626 O ARG A 41 8.047 15.469 0.829 1.00 0.00 O ATOM 627 CB ARG A 41 7.462 12.900 3.002 1.00 0.00 C ATOM 628 CG ARG A 41 6.540 13.786 3.903 1.00 0.00 C ATOM 629 CD ARG A 41 7.121 15.153 4.347 1.00 0.00 C ATOM 630 NE ARG A 41 7.255 16.139 3.267 1.00 0.00 N ATOM 631 CZ ARG A 41 7.348 17.470 3.410 1.00 0.00 C ATOM 632 NH1 ARG A 41 7.208 18.041 4.620 1.00 0.00 N ATOM 633 NH2 ARG A 41 7.570 18.227 2.331 1.00 0.00 N ATOM 0 H ARG A 41 8.433 11.351 1.343 1.00 0.00 H new ATOM 0 HA ARG A 41 6.486 13.497 1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.158 11.861 3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.481 12.983 3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.610 13.968 3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.285 13.216 4.797 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.481 15.570 5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.101 14.988 4.795 1.00 0.00 H new ATOM 0 HE ARG A 41 7.280 15.776 2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.029 17.461 5.440 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.281 19.054 4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.666 17.792 1.414 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.643 19.240 2.425 1.00 0.00 H new ATOM 647 N MET A 42 9.766 14.065 1.211 1.00 0.00 N ATOM 648 CA MET A 42 10.811 15.070 0.939 1.00 0.00 C ATOM 649 C MET A 42 10.985 15.356 -0.557 1.00 0.00 C ATOM 650 O MET A 42 11.063 16.507 -0.976 1.00 0.00 O ATOM 651 CB MET A 42 12.156 14.640 1.541 1.00 0.00 C ATOM 652 CG MET A 42 12.164 14.547 3.057 1.00 0.00 C ATOM 653 SD MET A 42 13.748 13.986 3.710 1.00 0.00 S ATOM 654 CE MET A 42 13.421 14.013 5.470 1.00 0.00 C ATOM 0 H MET A 42 10.128 13.145 1.462 1.00 0.00 H new ATOM 0 HA MET A 42 10.476 15.992 1.414 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.431 13.669 1.128 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.923 15.348 1.229 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.927 15.524 3.478 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.380 13.862 3.379 1.00 0.00 H new ATOM 0 HE1 MET A 42 14.311 13.690 6.010 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.159 15.026 5.776 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.594 13.340 5.697 1.00 0.00 H new ATOM 664 N ASN A 43 11.029 14.311 -1.347 1.00 0.00 N ATOM 665 CA ASN A 43 11.252 14.430 -2.780 1.00 0.00 C ATOM 666 C ASN A 43 9.902 14.497 -3.426 1.00 0.00 C ATOM 667 O ASN A 43 9.019 13.758 -3.067 1.00 0.00 O ATOM 668 CB ASN A 43 11.991 13.173 -3.287 1.00 0.00 C ATOM 669 CG ASN A 43 12.569 13.180 -4.712 1.00 0.00 C ATOM 670 OD1 ASN A 43 13.564 12.487 -4.962 1.00 0.00 O ATOM 671 ND2 ASN A 43 11.961 13.864 -5.651 1.00 0.00 N ATOM 0 H ASN A 43 10.912 13.351 -1.022 1.00 0.00 H new ATOM 0 HA ASN A 43 11.848 15.312 -3.013 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.812 12.972 -2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.301 12.332 -3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.306 13.832 -6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.143 14.428 -5.422 1.00 0.00 H new ATOM 761 N LEU A 48 -0.231 9.811 -7.404 1.00 0.00 N ATOM 762 CA LEU A 48 -1.480 10.295 -7.924 1.00 0.00 C ATOM 763 C LEU A 48 -2.491 9.139 -7.959 1.00 0.00 C ATOM 764 O LEU A 48 -2.102 8.008 -8.216 1.00 0.00 O ATOM 765 CB LEU A 48 -1.252 10.819 -9.351 1.00 0.00 C ATOM 766 CG LEU A 48 -2.452 11.466 -10.038 1.00 0.00 C ATOM 767 CD1 LEU A 48 -2.774 12.823 -9.419 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.217 11.588 -11.533 1.00 0.00 C ATOM 0 HA LEU A 48 -1.865 11.096 -7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.442 11.548 -9.322 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.912 9.988 -9.969 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.316 10.820 -9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.633 13.261 -9.928 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.005 12.695 -8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.914 13.484 -9.525 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.085 12.052 -12.001 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.335 12.203 -11.714 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.061 10.597 -11.959 1.00 0.00 H new ATOM 780 N PRO A 49 -3.776 9.368 -7.583 1.00 0.00 N ATOM 781 CA PRO A 49 -4.831 8.363 -7.752 1.00 0.00 C ATOM 782 C PRO A 49 -4.779 7.736 -9.153 1.00 0.00 C ATOM 783 O PRO A 49 -4.758 8.441 -10.166 1.00 0.00 O ATOM 784 CB PRO A 49 -6.101 9.183 -7.586 1.00 0.00 C ATOM 785 CG PRO A 49 -5.722 10.214 -6.596 1.00 0.00 C ATOM 786 CD PRO A 49 -4.295 10.583 -6.933 1.00 0.00 C ATOM 0 HA PRO A 49 -4.748 7.532 -7.052 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.416 9.629 -8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.930 8.571 -7.230 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.379 11.082 -6.660 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.800 9.830 -5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.249 11.446 -7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.724 10.837 -6.040 1.00 0.00 H new ATOM 794 N GLY A 50 -4.774 6.431 -9.187 1.00 0.00 N ATOM 795 CA GLY A 50 -4.606 5.706 -10.412 1.00 0.00 C ATOM 796 C GLY A 50 -3.238 5.059 -10.482 1.00 0.00 C ATOM 797 O GLY A 50 -3.036 4.113 -11.244 1.00 0.00 O ATOM 0 H GLY A 50 -4.887 5.841 -8.362 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.378 4.941 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.736 6.381 -11.258 1.00 0.00 H new ATOM 801 N ASP A 51 -2.303 5.554 -9.673 1.00 0.00 N ATOM 802 CA ASP A 51 -0.959 4.976 -9.614 1.00 0.00 C ATOM 803 C ASP A 51 -0.947 3.645 -8.919 1.00 0.00 C ATOM 804 O ASP A 51 -1.733 3.386 -7.980 1.00 0.00 O ATOM 805 CB ASP A 51 0.079 5.876 -8.912 1.00 0.00 C ATOM 806 CG ASP A 51 0.618 7.005 -9.753 1.00 0.00 C ATOM 807 OD1 ASP A 51 0.950 6.769 -10.931 1.00 0.00 O ATOM 808 OD2 ASP A 51 0.862 8.108 -9.203 1.00 0.00 O ATOM 0 H ASP A 51 -2.449 6.350 -9.052 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.676 4.867 -10.661 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.375 6.296 -8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.914 5.256 -8.586 1.00 0.00 H new ATOM 813 N LYS A 52 -0.044 2.812 -9.360 1.00 0.00 N ATOM 814 CA LYS A 52 0.182 1.524 -8.778 1.00 0.00 C ATOM 815 C LYS A 52 1.453 1.661 -7.954 1.00 0.00 C ATOM 816 O LYS A 52 2.478 2.143 -8.463 1.00 0.00 O ATOM 817 CB LYS A 52 0.376 0.484 -9.886 1.00 0.00 C ATOM 818 CG LYS A 52 0.217 -0.963 -9.440 1.00 0.00 C ATOM 819 CD LYS A 52 0.531 -1.916 -10.588 1.00 0.00 C ATOM 820 CE LYS A 52 0.080 -3.343 -10.296 1.00 0.00 C ATOM 821 NZ LYS A 52 0.623 -3.873 -9.045 1.00 0.00 N ATOM 0 H LYS A 52 0.566 3.017 -10.151 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.658 1.199 -8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.341 0.685 -10.682 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.371 0.610 -10.313 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.882 -1.165 -8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.801 -1.131 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.042 -1.561 -11.495 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.604 -1.909 -10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.009 -3.372 -10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.384 -3.989 -11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.424 -4.892 -8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.651 -3.719 -9.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.181 -3.385 -8.240 1.00 0.00 H new ATOM 835 N VAL A 53 1.395 1.305 -6.709 1.00 0.00 N ATOM 836 CA VAL A 53 2.523 1.493 -5.816 1.00 0.00 C ATOM 837 C VAL A 53 2.837 0.236 -5.033 1.00 0.00 C ATOM 838 O VAL A 53 1.949 -0.591 -4.785 1.00 0.00 O ATOM 839 CB VAL A 53 2.282 2.670 -4.827 1.00 0.00 C ATOM 840 CG1 VAL A 53 2.255 4.004 -5.561 1.00 0.00 C ATOM 841 CG2 VAL A 53 0.975 2.475 -4.059 1.00 0.00 C ATOM 0 H VAL A 53 0.577 0.878 -6.274 1.00 0.00 H new ATOM 0 HA VAL A 53 3.377 1.733 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 53 3.110 2.679 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.085 4.809 -4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.209 4.161 -6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.452 3.998 -6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.828 3.310 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.143 2.431 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.021 1.545 -3.493 1.00 0.00 H new ATOM 851 N THR A 54 4.078 0.114 -4.633 1.00 0.00 N ATOM 852 CA THR A 54 4.545 -1.009 -3.880 1.00 0.00 C ATOM 853 C THR A 54 4.521 -0.659 -2.382 1.00 0.00 C ATOM 854 O THR A 54 5.233 0.276 -1.909 1.00 0.00 O ATOM 855 CB THR A 54 5.976 -1.356 -4.300 1.00 0.00 C ATOM 856 OG1 THR A 54 6.081 -1.321 -5.737 1.00 0.00 O ATOM 857 CG2 THR A 54 6.366 -2.743 -3.804 1.00 0.00 C ATOM 0 H THR A 54 4.800 0.808 -4.828 1.00 0.00 H new ATOM 0 HA THR A 54 3.899 -1.866 -4.069 1.00 0.00 H new ATOM 0 HB THR A 54 6.650 -0.622 -3.858 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.329 -1.810 -6.132 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.387 -2.967 -4.115 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.303 -2.771 -2.716 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.687 -3.484 -4.226 1.00 0.00 H new ATOM 865 N VAL A 55 3.715 -1.395 -1.655 1.00 0.00 N ATOM 866 CA VAL A 55 3.488 -1.170 -0.264 1.00 0.00 C ATOM 867 C VAL A 55 4.112 -2.292 0.574 1.00 0.00 C ATOM 868 O VAL A 55 3.943 -3.487 0.286 1.00 0.00 O ATOM 869 CB VAL A 55 1.947 -1.029 0.048 1.00 0.00 C ATOM 870 CG1 VAL A 55 1.149 -2.294 -0.275 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.715 -0.625 1.477 1.00 0.00 C ATOM 0 H VAL A 55 3.190 -2.184 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 55 3.970 -0.230 0.007 1.00 0.00 H new ATOM 0 HB VAL A 55 1.582 -0.242 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.098 -2.131 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.250 -2.527 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.530 -3.126 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.644 -0.536 1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.136 -1.380 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.196 0.334 1.667 1.00 0.00 H new ATOM 881 N GLU A 56 4.858 -1.913 1.563 1.00 0.00 N ATOM 882 CA GLU A 56 5.434 -2.853 2.467 1.00 0.00 C ATOM 883 C GLU A 56 4.559 -2.871 3.716 1.00 0.00 C ATOM 884 O GLU A 56 4.157 -1.808 4.229 1.00 0.00 O ATOM 885 CB GLU A 56 6.907 -2.482 2.746 1.00 0.00 C ATOM 886 CG GLU A 56 7.104 -1.198 3.483 1.00 0.00 C ATOM 887 CD GLU A 56 8.405 -0.497 3.130 1.00 0.00 C ATOM 888 OE1 GLU A 56 8.396 0.316 2.175 1.00 0.00 O ATOM 889 OE2 GLU A 56 9.415 -0.649 3.834 1.00 0.00 O ATOM 0 H GLU A 56 5.085 -0.939 1.766 1.00 0.00 H new ATOM 0 HA GLU A 56 5.461 -3.861 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.367 -3.287 3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.438 -2.424 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.269 -0.531 3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.085 -1.395 4.555 1.00 0.00 H new ATOM 896 N MET A 57 4.169 -4.043 4.133 1.00 0.00 N ATOM 897 CA MET A 57 3.286 -4.190 5.272 1.00 0.00 C ATOM 898 C MET A 57 3.598 -5.407 6.086 1.00 0.00 C ATOM 899 O MET A 57 4.161 -6.367 5.590 1.00 0.00 O ATOM 900 CB MET A 57 1.806 -4.159 4.868 1.00 0.00 C ATOM 901 CG MET A 57 1.461 -4.814 3.548 1.00 0.00 C ATOM 902 SD MET A 57 -0.321 -4.899 3.291 1.00 0.00 S ATOM 903 CE MET A 57 -0.796 -3.218 3.683 1.00 0.00 C ATOM 0 H MET A 57 4.449 -4.923 3.700 1.00 0.00 H new ATOM 0 HA MET A 57 3.470 -3.323 5.906 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.226 -4.644 5.653 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.483 -3.119 4.829 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.920 -4.254 2.733 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.881 -5.819 3.520 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.668 -2.939 3.091 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.039 -3.146 4.743 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.029 -2.544 3.453 1.00 0.00 H new ATOM 913 N SER A 58 3.254 -5.358 7.340 1.00 0.00 N ATOM 914 CA SER A 58 3.527 -6.440 8.244 1.00 0.00 C ATOM 915 C SER A 58 2.432 -7.519 8.127 1.00 0.00 C ATOM 916 O SER A 58 1.277 -7.193 7.851 1.00 0.00 O ATOM 917 CB SER A 58 3.582 -5.877 9.658 1.00 0.00 C ATOM 918 OG SER A 58 4.487 -4.787 9.709 1.00 0.00 O ATOM 0 H SER A 58 2.775 -4.565 7.767 1.00 0.00 H new ATOM 0 HA SER A 58 4.481 -6.907 7.998 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.589 -5.551 9.968 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.895 -6.654 10.356 1.00 0.00 H new ATOM 0 HG SER A 58 4.516 -4.429 10.621 1.00 0.00 H new ATOM 924 N PRO A 59 2.779 -8.819 8.343 1.00 0.00 N ATOM 925 CA PRO A 59 1.808 -9.944 8.268 1.00 0.00 C ATOM 926 C PRO A 59 0.732 -9.854 9.348 1.00 0.00 C ATOM 927 O PRO A 59 -0.300 -10.492 9.271 1.00 0.00 O ATOM 928 CB PRO A 59 2.676 -11.193 8.514 1.00 0.00 C ATOM 929 CG PRO A 59 4.077 -10.760 8.257 1.00 0.00 C ATOM 930 CD PRO A 59 4.144 -9.314 8.642 1.00 0.00 C ATOM 0 HA PRO A 59 1.277 -9.949 7.316 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.559 -11.558 9.534 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.389 -12.008 7.849 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.781 -11.352 8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.341 -10.896 7.208 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.396 -9.189 9.695 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.901 -8.779 8.068 1.00 0.00 H new ATOM 938 N TYR A 60 1.000 -9.042 10.338 1.00 0.00 N ATOM 939 CA TYR A 60 0.104 -8.850 11.452 1.00 0.00 C ATOM 940 C TYR A 60 -0.790 -7.619 11.200 1.00 0.00 C ATOM 941 O TYR A 60 -1.603 -7.245 12.036 1.00 0.00 O ATOM 942 CB TYR A 60 0.954 -8.691 12.741 1.00 0.00 C ATOM 943 CG TYR A 60 0.177 -8.572 14.043 1.00 0.00 C ATOM 944 CD1 TYR A 60 -0.446 -9.678 14.607 1.00 0.00 C ATOM 945 CD2 TYR A 60 0.083 -7.355 14.711 1.00 0.00 C ATOM 946 CE1 TYR A 60 -1.144 -9.573 15.796 1.00 0.00 C ATOM 947 CE2 TYR A 60 -0.612 -7.243 15.897 1.00 0.00 C ATOM 948 CZ TYR A 60 -1.225 -8.353 16.435 1.00 0.00 C ATOM 949 OH TYR A 60 -1.919 -8.245 17.619 1.00 0.00 O ATOM 0 H TYR A 60 1.855 -8.489 10.395 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.556 -9.710 11.570 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.624 -9.547 12.818 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.580 -7.805 12.632 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.384 -10.634 14.109 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.563 -6.482 14.293 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.623 -10.442 16.222 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.675 -6.290 16.401 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.878 -7.319 17.939 1.00 0.00 H new ATOM 959 N ASP A 61 -0.653 -7.011 10.030 1.00 0.00 N ATOM 960 CA ASP A 61 -1.415 -5.807 9.746 1.00 0.00 C ATOM 961 C ASP A 61 -2.245 -5.963 8.460 1.00 0.00 C ATOM 962 O ASP A 61 -3.422 -6.307 8.510 1.00 0.00 O ATOM 963 CB ASP A 61 -0.495 -4.572 9.654 1.00 0.00 C ATOM 964 CG ASP A 61 -1.273 -3.307 9.693 1.00 0.00 C ATOM 965 OD1 ASP A 61 -1.914 -2.994 8.715 1.00 0.00 O ATOM 966 OD2 ASP A 61 -1.252 -2.607 10.716 1.00 0.00 O ATOM 0 H ASP A 61 -0.037 -7.323 9.280 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.104 -5.653 10.576 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.218 -4.587 10.478 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.083 -4.616 8.731 1.00 0.00 H new ATOM 971 N LEU A 62 -1.598 -5.709 7.315 1.00 0.00 N ATOM 972 CA LEU A 62 -2.187 -5.820 5.963 1.00 0.00 C ATOM 973 C LEU A 62 -3.366 -4.806 5.731 1.00 0.00 C ATOM 974 O LEU A 62 -4.102 -4.872 4.738 1.00 0.00 O ATOM 975 CB LEU A 62 -2.540 -7.313 5.649 1.00 0.00 C ATOM 976 CG LEU A 62 -2.859 -7.700 4.179 1.00 0.00 C ATOM 977 CD1 LEU A 62 -2.308 -9.087 3.894 1.00 0.00 C ATOM 978 CD2 LEU A 62 -4.366 -7.729 3.932 1.00 0.00 C ATOM 0 H LEU A 62 -0.622 -5.412 7.297 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.439 -5.518 5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.705 -7.929 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.401 -7.587 6.259 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.402 -6.955 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.530 -9.362 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.229 -9.088 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.770 -9.808 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.560 -8.003 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.829 -8.462 4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.786 -6.743 4.132 1.00 0.00 H new ATOM 990 N THR A 63 -3.491 -3.839 6.606 1.00 0.00 N ATOM 991 CA THR A 63 -4.490 -2.809 6.451 1.00 0.00 C ATOM 992 C THR A 63 -3.829 -1.409 6.440 1.00 0.00 C ATOM 993 O THR A 63 -4.415 -0.419 6.000 1.00 0.00 O ATOM 994 CB THR A 63 -5.657 -2.952 7.500 1.00 0.00 C ATOM 995 OG1 THR A 63 -6.568 -1.844 7.451 1.00 0.00 O ATOM 996 CG2 THR A 63 -5.149 -3.151 8.915 1.00 0.00 C ATOM 0 H THR A 63 -2.910 -3.743 7.438 1.00 0.00 H new ATOM 0 HA THR A 63 -4.970 -2.935 5.480 1.00 0.00 H new ATOM 0 HB THR A 63 -6.200 -3.853 7.213 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.276 -1.973 8.116 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.995 -3.244 9.596 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.546 -4.058 8.961 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.540 -2.295 9.207 1.00 0.00 H new ATOM 1004 N ARG A 64 -2.609 -1.349 6.911 1.00 0.00 N ATOM 1005 CA ARG A 64 -1.783 -0.176 6.886 1.00 0.00 C ATOM 1006 C ARG A 64 -0.482 -0.523 6.219 1.00 0.00 C ATOM 1007 O ARG A 64 0.056 -1.610 6.427 1.00 0.00 O ATOM 1008 CB ARG A 64 -1.474 0.364 8.298 1.00 0.00 C ATOM 1009 CG ARG A 64 -2.586 1.157 8.989 1.00 0.00 C ATOM 1010 CD ARG A 64 -3.743 0.287 9.447 1.00 0.00 C ATOM 1011 NE ARG A 64 -3.295 -0.751 10.380 1.00 0.00 N ATOM 1012 CZ ARG A 64 -3.902 -1.130 11.500 1.00 0.00 C ATOM 1013 NH1 ARG A 64 -5.061 -0.568 11.881 1.00 0.00 N ATOM 1014 NH2 ARG A 64 -3.349 -2.088 12.224 1.00 0.00 N ATOM 0 H ARG A 64 -2.148 -2.152 7.340 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.327 0.598 6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.212 -0.480 8.935 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.592 1.001 8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.170 1.680 9.850 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.960 1.918 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.499 0.908 9.927 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.215 -0.178 8.582 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.427 -1.233 10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.487 0.160 11.308 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.515 -0.870 12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.476 -2.518 11.919 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.795 -2.397 13.088 1.00 0.00 H new ATOM 1028 N GLY A 65 0.017 0.364 5.409 1.00 0.00 N ATOM 1029 CA GLY A 65 1.265 0.103 4.761 1.00 0.00 C ATOM 1030 C GLY A 65 2.101 1.345 4.583 1.00 0.00 C ATOM 1031 O GLY A 65 1.717 2.449 5.045 1.00 0.00 O ATOM 0 H GLY A 65 -0.414 1.261 5.185 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.826 -0.627 5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.076 -0.345 3.786 1.00 0.00 H new ATOM 1035 N ARG A 66 3.223 1.178 3.923 1.00 0.00 N ATOM 1036 CA ARG A 66 4.185 2.225 3.670 1.00 0.00 C ATOM 1037 C ARG A 66 4.769 1.982 2.269 1.00 0.00 C ATOM 1038 O ARG A 66 5.112 0.862 1.932 1.00 0.00 O ATOM 1039 CB ARG A 66 5.218 2.169 4.827 1.00 0.00 C ATOM 1040 CG ARG A 66 6.666 1.953 4.512 1.00 0.00 C ATOM 1041 CD ARG A 66 7.468 3.105 4.020 1.00 0.00 C ATOM 1042 NE ARG A 66 8.760 2.522 3.726 1.00 0.00 N ATOM 1043 CZ ARG A 66 9.891 2.692 4.391 1.00 0.00 C ATOM 1044 NH1 ARG A 66 10.083 3.772 5.164 1.00 0.00 N ATOM 1045 NH2 ARG A 66 10.829 1.753 4.294 1.00 0.00 N ATOM 0 H ARG A 66 3.501 0.277 3.534 1.00 0.00 H new ATOM 0 HA ARG A 66 3.769 3.233 3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.140 3.105 5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.908 1.372 5.503 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.148 1.575 5.414 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.727 1.163 3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.021 3.555 3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.545 3.890 4.772 1.00 0.00 H new ATOM 0 HE ARG A 66 8.803 1.909 2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.351 4.477 5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.961 3.887 5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.667 0.927 3.717 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.710 1.859 4.796 1.00 0.00 H new ATOM 1059 N ILE A 67 4.752 3.002 1.439 1.00 0.00 N ATOM 1060 CA ILE A 67 5.216 2.889 0.059 1.00 0.00 C ATOM 1061 C ILE A 67 6.633 3.382 -0.122 1.00 0.00 C ATOM 1062 O ILE A 67 6.968 4.518 0.263 1.00 0.00 O ATOM 1063 CB ILE A 67 4.256 3.602 -0.972 1.00 0.00 C ATOM 1064 CG1 ILE A 67 2.985 2.796 -1.203 1.00 0.00 C ATOM 1065 CG2 ILE A 67 4.930 3.891 -2.313 1.00 0.00 C ATOM 1066 CD1 ILE A 67 2.031 2.776 -0.056 1.00 0.00 C ATOM 0 H ILE A 67 4.419 3.932 1.693 1.00 0.00 H new ATOM 0 HA ILE A 67 5.201 1.821 -0.156 1.00 0.00 H new ATOM 0 HB ILE A 67 3.997 4.558 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.471 3.199 -2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.263 1.770 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.220 4.381 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.789 4.543 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.262 2.955 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.159 2.177 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.520 2.342 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.716 3.794 0.173 1.00 0.00 H new ATOM 1078 N THR A 68 7.453 2.537 -0.678 1.00 0.00 N ATOM 1079 CA THR A 68 8.800 2.898 -1.036 1.00 0.00 C ATOM 1080 C THR A 68 8.984 3.045 -2.540 1.00 0.00 C ATOM 1081 O THR A 68 9.859 3.784 -2.999 1.00 0.00 O ATOM 1082 CB THR A 68 9.758 1.856 -0.507 1.00 0.00 C ATOM 1083 OG1 THR A 68 9.071 0.586 -0.448 1.00 0.00 O ATOM 1084 CG2 THR A 68 10.225 2.255 0.849 1.00 0.00 C ATOM 0 H THR A 68 7.207 1.572 -0.898 1.00 0.00 H new ATOM 0 HA THR A 68 9.008 3.870 -0.588 1.00 0.00 H new ATOM 0 HB THR A 68 10.625 1.770 -1.162 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.791 0.408 0.474 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.916 1.504 1.231 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.732 3.218 0.790 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.369 2.336 1.519 1.00 0.00 H new ATOM 1092 N TYR A 69 8.136 2.398 -3.301 1.00 0.00 N ATOM 1093 CA TYR A 69 8.263 2.419 -4.730 1.00 0.00 C ATOM 1094 C TYR A 69 6.940 2.710 -5.378 1.00 0.00 C ATOM 1095 O TYR A 69 5.905 2.190 -4.974 1.00 0.00 O ATOM 1096 CB TYR A 69 8.831 1.075 -5.236 1.00 0.00 C ATOM 1097 CG TYR A 69 8.979 0.945 -6.759 1.00 0.00 C ATOM 1098 CD1 TYR A 69 9.912 1.698 -7.471 1.00 0.00 C ATOM 1099 CD2 TYR A 69 8.174 0.067 -7.476 1.00 0.00 C ATOM 1100 CE1 TYR A 69 10.031 1.570 -8.854 1.00 0.00 C ATOM 1101 CE2 TYR A 69 8.285 -0.066 -8.845 1.00 0.00 C ATOM 1102 CZ TYR A 69 9.211 0.681 -9.531 1.00 0.00 C ATOM 1103 OH TYR A 69 9.306 0.550 -10.917 1.00 0.00 O ATOM 0 H TYR A 69 7.350 1.850 -2.950 1.00 0.00 H new ATOM 0 HA TYR A 69 8.956 3.215 -5.003 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.809 0.920 -4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.184 0.272 -4.883 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.552 2.390 -6.943 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.443 -0.527 -6.948 1.00 0.00 H new ATOM 0 HE1 TYR A 69 10.757 2.159 -9.394 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.645 -0.756 -9.376 1.00 0.00 H new ATOM 0 HH TYR A 69 8.659 -0.117 -11.228 1.00 0.00 H new ATOM 1113 N ARG A 70 6.975 3.573 -6.337 1.00 0.00 N ATOM 1114 CA ARG A 70 5.844 3.844 -7.160 1.00 0.00 C ATOM 1115 C ARG A 70 6.160 3.259 -8.502 1.00 0.00 C ATOM 1116 O ARG A 70 7.315 3.362 -8.949 1.00 0.00 O ATOM 1117 CB ARG A 70 5.560 5.347 -7.294 1.00 0.00 C ATOM 1118 CG ARG A 70 6.728 6.194 -7.815 1.00 0.00 C ATOM 1119 CD ARG A 70 6.208 7.402 -8.571 1.00 0.00 C ATOM 1120 NE ARG A 70 5.455 6.953 -9.752 1.00 0.00 N ATOM 1121 CZ ARG A 70 4.167 7.222 -9.996 1.00 0.00 C ATOM 1122 NH1 ARG A 70 3.517 8.156 -9.292 1.00 0.00 N ATOM 1123 NH2 ARG A 70 3.546 6.580 -10.972 1.00 0.00 N ATOM 0 H ARG A 70 7.803 4.119 -6.575 1.00 0.00 H new ATOM 0 HA ARG A 70 4.948 3.409 -6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.710 5.481 -7.963 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.261 5.731 -6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.350 6.519 -6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.359 5.592 -8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.567 8.001 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.038 8.039 -8.876 1.00 0.00 H new ATOM 0 HE ARG A 70 5.955 6.391 -10.441 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.003 8.673 -8.559 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.535 8.351 -9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.049 5.889 -11.529 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.564 6.776 -11.168 1.00 0.00 H new