USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 429 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 23 GLN : amide:sc= -0.111 K(o=0.58,f=-8.6!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -178:sc= 0.686 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.678 K(o=0.68,f=-3.3!) USER MOD Single : A 14 ASN : amide:sc= 0.315 K(o=0.32,f=-2.8) USER MOD Single : A 20 MET CE :methyl -175:sc= -0.309 (180deg=-0.352) USER MOD Single : A 21 MET CE :methyl -115:sc= -2.15! (180deg=-2.57!) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0409 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.906 K(o=0.91,f=-0.047) USER MOD Single : A 41 ASN : amide:sc= 0.634 K(o=0.63,f=-4.3!) USER MOD Single : A 47 ASN : amide:sc= 0.298 K(o=0.3,f=-0.85) USER MOD Single : A 52 MET CE :methyl 158:sc= -0.137 (180deg=-0.692) USER MOD Single : A 56 LYS NZ :NH3+ -111:sc= 0.982 (180deg=-0.283!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 3 3.047 2.636 7.382 1.00 0.00 N ATOM 71 CA ILE A 3 3.267 3.216 6.102 1.00 0.00 C ATOM 72 C ILE A 3 2.465 2.460 5.047 1.00 0.00 C ATOM 73 O ILE A 3 2.808 1.352 4.631 1.00 0.00 O ATOM 74 CB ILE A 3 4.781 3.330 5.767 1.00 0.00 C ATOM 75 CG1 ILE A 3 5.013 3.872 4.340 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.513 2.015 6.026 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.473 4.110 3.992 1.00 0.00 C ATOM 0 HA ILE A 3 2.904 4.244 6.111 1.00 0.00 H new ATOM 0 HB ILE A 3 5.214 4.065 6.446 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.591 3.168 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.467 4.809 4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.569 2.132 5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.412 1.743 7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.081 1.230 5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.547 4.490 2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.898 4.839 4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.023 3.172 4.070 1.00 0.00 H new ATOM 89 N LEU A 4 1.354 3.051 4.674 1.00 0.00 N ATOM 90 CA LEU A 4 0.455 2.477 3.712 1.00 0.00 C ATOM 91 C LEU A 4 1.088 2.462 2.339 1.00 0.00 C ATOM 92 O LEU A 4 1.312 3.520 1.729 1.00 0.00 O ATOM 93 CB LEU A 4 -0.861 3.248 3.689 1.00 0.00 C ATOM 94 CG LEU A 4 -1.602 3.391 5.032 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.947 4.070 4.835 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.757 2.043 5.728 1.00 0.00 C ATOM 0 H LEU A 4 1.049 3.954 5.037 1.00 0.00 H new ATOM 0 HA LEU A 4 0.246 1.448 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.663 4.247 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.530 2.758 2.982 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.998 4.024 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.453 4.161 5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.795 5.062 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.559 3.475 4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.284 2.180 6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.326 1.367 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.772 1.617 5.920 1.00 0.00 H new ATOM 108 N GLY A 5 1.386 1.281 1.877 1.00 0.00 N ATOM 109 CA GLY A 5 2.045 1.123 0.619 1.00 0.00 C ATOM 110 C GLY A 5 3.366 0.407 0.780 1.00 0.00 C ATOM 111 O GLY A 5 3.913 -0.114 -0.171 1.00 0.00 O ATOM 0 H GLY A 5 1.179 0.407 2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.405 0.562 -0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.211 2.101 0.167 1.00 0.00 H new ATOM 115 N ASP A 6 3.878 0.377 1.984 1.00 0.00 N ATOM 116 CA ASP A 6 5.122 -0.292 2.239 1.00 0.00 C ATOM 117 C ASP A 6 4.904 -1.489 3.149 1.00 0.00 C ATOM 118 O ASP A 6 4.943 -1.407 4.377 1.00 0.00 O ATOM 119 CB ASP A 6 6.158 0.681 2.754 1.00 0.00 C ATOM 120 CG ASP A 6 7.439 0.032 3.110 1.00 0.00 C ATOM 121 OD1 ASP A 6 7.977 -0.739 2.298 1.00 0.00 O ATOM 122 OD2 ASP A 6 7.964 0.311 4.178 1.00 0.00 O ATOM 0 H ASP A 6 3.450 0.810 2.802 1.00 0.00 H new ATOM 0 HA ASP A 6 5.520 -0.687 1.304 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.342 1.442 1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.762 1.194 3.630 1.00 0.00 H new ATOM 127 N LEU A 7 4.637 -2.584 2.498 1.00 0.00 N ATOM 128 CA LEU A 7 4.213 -3.834 3.088 1.00 0.00 C ATOM 129 C LEU A 7 5.360 -4.611 3.694 1.00 0.00 C ATOM 130 O LEU A 7 5.195 -5.296 4.703 1.00 0.00 O ATOM 131 CB LEU A 7 3.513 -4.701 2.026 1.00 0.00 C ATOM 132 CG LEU A 7 2.092 -4.290 1.556 1.00 0.00 C ATOM 133 CD1 LEU A 7 2.042 -2.931 0.886 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.563 -5.320 0.616 1.00 0.00 C ATOM 0 H LEU A 7 4.712 -2.638 1.482 1.00 0.00 H new ATOM 0 HA LEU A 7 3.522 -3.588 3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.157 -4.733 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.453 -5.718 2.415 1.00 0.00 H new ATOM 0 HG LEU A 7 1.477 -4.221 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.018 -2.711 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.386 -2.168 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.686 -2.935 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.565 -5.032 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.223 -5.398 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.514 -6.284 1.123 1.00 0.00 H new ATOM 146 N ASN A 8 6.514 -4.526 3.075 1.00 0.00 N ATOM 147 CA ASN A 8 7.689 -5.261 3.556 1.00 0.00 C ATOM 148 C ASN A 8 8.490 -4.429 4.541 1.00 0.00 C ATOM 149 O ASN A 8 9.488 -4.897 5.107 1.00 0.00 O ATOM 150 CB ASN A 8 8.564 -5.766 2.394 1.00 0.00 C ATOM 151 CG ASN A 8 9.239 -4.675 1.591 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.764 -3.545 1.497 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.301 -5.019 0.944 1.00 0.00 N ATOM 0 H ASN A 8 6.677 -3.962 2.241 1.00 0.00 H new ATOM 0 HA ASN A 8 7.328 -6.143 4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.330 -6.430 2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.945 -6.362 1.723 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.768 -4.346 0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.674 -5.964 1.041 1.00 0.00 H new ATOM 160 N ASP A 9 8.020 -3.202 4.747 1.00 0.00 N ATOM 161 CA ASP A 9 8.585 -2.255 5.701 1.00 0.00 C ATOM 162 C ASP A 9 10.049 -1.933 5.379 1.00 0.00 C ATOM 163 O ASP A 9 10.986 -2.332 6.077 1.00 0.00 O ATOM 164 CB ASP A 9 8.348 -2.694 7.165 1.00 0.00 C ATOM 165 CG ASP A 9 8.846 -1.706 8.201 1.00 0.00 C ATOM 166 OD1 ASP A 9 8.162 -0.706 8.454 1.00 0.00 O ATOM 167 OD2 ASP A 9 9.924 -1.934 8.809 1.00 0.00 O ATOM 0 H ASP A 9 7.215 -2.830 4.242 1.00 0.00 H new ATOM 0 HA ASP A 9 8.046 -1.314 5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.280 -2.853 7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.840 -3.653 7.329 1.00 0.00 H new ATOM 172 N ASP A 10 10.239 -1.341 4.235 1.00 0.00 N ATOM 173 CA ASP A 10 11.558 -0.945 3.789 1.00 0.00 C ATOM 174 C ASP A 10 11.635 0.566 3.596 1.00 0.00 C ATOM 175 O ASP A 10 12.691 1.113 3.257 1.00 0.00 O ATOM 176 CB ASP A 10 12.039 -1.730 2.534 1.00 0.00 C ATOM 177 CG ASP A 10 11.218 -1.544 1.272 1.00 0.00 C ATOM 178 OD1 ASP A 10 11.220 -2.443 0.412 1.00 0.00 O ATOM 179 OD2 ASP A 10 10.488 -0.574 1.126 1.00 0.00 O ATOM 0 H ASP A 10 9.490 -1.116 3.581 1.00 0.00 H new ATOM 0 HA ASP A 10 12.257 -1.215 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.067 -1.437 2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.054 -2.792 2.779 1.00 0.00 H new ATOM 184 N GLY A 11 10.511 1.230 3.822 1.00 0.00 N ATOM 185 CA GLY A 11 10.447 2.671 3.779 1.00 0.00 C ATOM 186 C GLY A 11 10.030 3.242 2.443 1.00 0.00 C ATOM 187 O GLY A 11 9.864 4.460 2.310 1.00 0.00 O ATOM 0 H GLY A 11 9.622 0.779 4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.746 3.013 4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.425 3.073 4.042 1.00 0.00 H new ATOM 191 N VAL A 12 9.817 2.398 1.464 1.00 0.00 N ATOM 192 CA VAL A 12 9.541 2.878 0.126 1.00 0.00 C ATOM 193 C VAL A 12 8.573 1.957 -0.637 1.00 0.00 C ATOM 194 O VAL A 12 8.636 0.727 -0.511 1.00 0.00 O ATOM 195 CB VAL A 12 10.893 3.092 -0.659 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.757 1.850 -0.622 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.671 3.547 -2.095 1.00 0.00 C ATOM 0 H VAL A 12 9.828 1.383 1.563 1.00 0.00 H new ATOM 0 HA VAL A 12 9.035 3.840 0.210 1.00 0.00 H new ATOM 0 HB VAL A 12 11.420 3.895 -0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.680 2.032 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.994 1.602 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.220 1.019 -1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.634 3.679 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.090 2.795 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.130 4.493 -2.097 1.00 0.00 H new ATOM 207 N VAL A 13 7.637 2.561 -1.357 1.00 0.00 N ATOM 208 CA VAL A 13 6.732 1.838 -2.212 1.00 0.00 C ATOM 209 C VAL A 13 7.481 1.315 -3.462 1.00 0.00 C ATOM 210 O VAL A 13 7.743 2.043 -4.428 1.00 0.00 O ATOM 211 CB VAL A 13 5.479 2.703 -2.585 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.608 2.910 -1.362 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.870 4.071 -3.150 1.00 0.00 C ATOM 0 H VAL A 13 7.491 3.571 -1.358 1.00 0.00 H new ATOM 0 HA VAL A 13 6.354 0.973 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 13 4.932 2.158 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.740 3.512 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.276 1.943 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.181 3.424 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.970 4.635 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.451 4.619 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.468 3.935 -4.051 1.00 0.00 H new ATOM 223 N ASN A 14 7.880 0.079 -3.383 1.00 0.00 N ATOM 224 CA ASN A 14 8.662 -0.568 -4.414 1.00 0.00 C ATOM 225 C ASN A 14 8.019 -1.854 -4.897 1.00 0.00 C ATOM 226 O ASN A 14 6.961 -2.244 -4.409 1.00 0.00 O ATOM 227 CB ASN A 14 10.123 -0.803 -3.982 1.00 0.00 C ATOM 228 CG ASN A 14 10.317 -1.519 -2.652 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.459 -2.262 -2.150 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.456 -1.349 -2.098 1.00 0.00 N ATOM 0 H ASN A 14 7.671 -0.525 -2.588 1.00 0.00 H new ATOM 0 HA ASN A 14 8.683 0.123 -5.257 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.623 -1.380 -4.760 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.626 0.163 -3.929 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.675 -1.829 -1.225 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.146 -0.733 -2.529 1.00 0.00 H new ATOM 237 N GLY A 15 8.707 -2.554 -5.813 1.00 0.00 N ATOM 238 CA GLY A 15 8.170 -3.775 -6.415 1.00 0.00 C ATOM 239 C GLY A 15 8.067 -4.916 -5.432 1.00 0.00 C ATOM 240 O GLY A 15 7.288 -5.841 -5.623 1.00 0.00 O ATOM 0 H GLY A 15 9.634 -2.292 -6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.183 -3.567 -6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.807 -4.075 -7.247 1.00 0.00 H new ATOM 244 N ARG A 16 8.824 -4.814 -4.353 1.00 0.00 N ATOM 245 CA ARG A 16 8.837 -5.820 -3.301 1.00 0.00 C ATOM 246 C ARG A 16 7.499 -5.846 -2.580 1.00 0.00 C ATOM 247 O ARG A 16 7.054 -6.889 -2.119 1.00 0.00 O ATOM 248 CB ARG A 16 9.931 -5.513 -2.298 1.00 0.00 C ATOM 249 CG ARG A 16 11.342 -5.536 -2.848 1.00 0.00 C ATOM 250 CD ARG A 16 11.700 -6.898 -3.409 1.00 0.00 C ATOM 251 NE ARG A 16 13.132 -7.001 -3.674 1.00 0.00 N ATOM 252 CZ ARG A 16 13.735 -7.931 -4.414 1.00 0.00 C ATOM 253 NH1 ARG A 16 13.026 -8.822 -5.095 1.00 0.00 N ATOM 254 NH2 ARG A 16 15.054 -7.959 -4.457 1.00 0.00 N ATOM 0 H ARG A 16 9.450 -4.028 -4.180 1.00 0.00 H new ATOM 0 HA ARG A 16 9.022 -6.791 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.742 -4.529 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.865 -6.233 -1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.441 -4.783 -3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 16 12.045 -5.271 -2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.401 -7.674 -2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.144 -7.072 -4.330 1.00 0.00 H new ATOM 0 HE ARG A 16 13.730 -6.291 -3.251 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.007 -8.800 -5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.500 -9.529 -5.658 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.596 -7.275 -3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.531 -8.664 -5.019 1.00 0.00 H new ATOM 268 N ASP A 17 6.858 -4.693 -2.514 1.00 0.00 N ATOM 269 CA ASP A 17 5.567 -4.550 -1.865 1.00 0.00 C ATOM 270 C ASP A 17 4.509 -5.264 -2.654 1.00 0.00 C ATOM 271 O ASP A 17 3.642 -5.914 -2.081 1.00 0.00 O ATOM 272 CB ASP A 17 5.198 -3.090 -1.701 1.00 0.00 C ATOM 273 CG ASP A 17 6.192 -2.354 -0.856 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.902 -1.480 -1.351 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.392 -2.691 0.312 1.00 0.00 O ATOM 0 H ASP A 17 7.220 -3.826 -2.911 1.00 0.00 H new ATOM 0 HA ASP A 17 5.635 -4.997 -0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.136 -2.619 -2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.210 -3.014 -1.248 1.00 0.00 H new ATOM 280 N ILE A 18 4.602 -5.146 -3.985 1.00 0.00 N ATOM 281 CA ILE A 18 3.724 -5.849 -4.942 1.00 0.00 C ATOM 282 C ILE A 18 3.703 -7.341 -4.639 1.00 0.00 C ATOM 283 O ILE A 18 2.641 -7.958 -4.591 1.00 0.00 O ATOM 284 CB ILE A 18 4.188 -5.629 -6.442 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.842 -4.232 -6.967 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.582 -6.674 -7.393 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.391 -3.078 -6.209 1.00 0.00 C ATOM 0 H ILE A 18 5.297 -4.553 -4.438 1.00 0.00 H new ATOM 0 HA ILE A 18 2.724 -5.431 -4.829 1.00 0.00 H new ATOM 0 HB ILE A 18 5.272 -5.740 -6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.192 -4.160 -7.997 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.756 -4.137 -6.992 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.927 -6.484 -8.409 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.894 -7.672 -7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.494 -6.608 -7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.074 -2.148 -6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.022 -3.108 -5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.480 -3.130 -6.205 1.00 0.00 H new ATOM 299 N VAL A 19 4.879 -7.882 -4.410 1.00 0.00 N ATOM 300 CA VAL A 19 5.067 -9.291 -4.090 1.00 0.00 C ATOM 301 C VAL A 19 4.250 -9.651 -2.865 1.00 0.00 C ATOM 302 O VAL A 19 3.391 -10.517 -2.925 1.00 0.00 O ATOM 303 CB VAL A 19 6.558 -9.591 -3.791 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.810 -11.080 -3.586 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.447 -9.026 -4.877 1.00 0.00 C ATOM 0 H VAL A 19 5.750 -7.352 -4.440 1.00 0.00 H new ATOM 0 HA VAL A 19 4.744 -9.880 -4.949 1.00 0.00 H new ATOM 0 HB VAL A 19 6.810 -9.096 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.867 -11.245 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.216 -11.437 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.527 -11.624 -4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.489 -9.248 -4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.183 -9.476 -5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.310 -7.946 -4.934 1.00 0.00 H new ATOM 315 N MET A 20 4.473 -8.896 -1.799 1.00 0.00 N ATOM 316 CA MET A 20 3.855 -9.124 -0.487 1.00 0.00 C ATOM 317 C MET A 20 2.326 -9.009 -0.572 1.00 0.00 C ATOM 318 O MET A 20 1.592 -9.781 0.058 1.00 0.00 O ATOM 319 CB MET A 20 4.370 -8.088 0.507 1.00 0.00 C ATOM 320 CG MET A 20 5.883 -7.935 0.551 1.00 0.00 C ATOM 321 SD MET A 20 6.758 -9.372 1.192 1.00 0.00 S ATOM 322 CE MET A 20 6.385 -9.243 2.939 1.00 0.00 C ATOM 0 H MET A 20 5.099 -8.091 -1.815 1.00 0.00 H new ATOM 0 HA MET A 20 4.117 -10.130 -0.158 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.929 -7.122 0.262 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.018 -8.356 1.503 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.244 -7.724 -0.456 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.131 -7.070 1.166 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.930 -10.013 3.485 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.683 -8.260 3.303 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.314 -9.378 3.093 1.00 0.00 H new ATOM 332 N MET A 21 1.881 -8.027 -1.359 1.00 0.00 N ATOM 333 CA MET A 21 0.461 -7.729 -1.624 1.00 0.00 C ATOM 334 C MET A 21 -0.225 -8.966 -2.120 1.00 0.00 C ATOM 335 O MET A 21 -1.155 -9.483 -1.500 1.00 0.00 O ATOM 336 CB MET A 21 0.395 -6.696 -2.754 1.00 0.00 C ATOM 337 CG MET A 21 -0.976 -6.083 -3.115 1.00 0.00 C ATOM 338 SD MET A 21 -1.561 -4.722 -2.055 1.00 0.00 S ATOM 339 CE MET A 21 -2.021 -5.499 -0.520 1.00 0.00 C ATOM 0 H MET A 21 2.514 -7.394 -1.847 1.00 0.00 H new ATOM 0 HA MET A 21 -0.013 -7.366 -0.712 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.066 -5.877 -2.494 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.796 -7.163 -3.653 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.928 -5.720 -4.142 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.722 -6.878 -3.093 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.095 -5.393 -0.366 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.762 -6.557 -0.556 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.488 -5.023 0.303 1.00 0.00 H new ATOM 349 N ARG A 22 0.319 -9.463 -3.206 1.00 0.00 N ATOM 350 CA ARG A 22 -0.211 -10.570 -3.950 1.00 0.00 C ATOM 351 C ARG A 22 -0.209 -11.853 -3.145 1.00 0.00 C ATOM 352 O ARG A 22 -1.091 -12.679 -3.318 1.00 0.00 O ATOM 353 CB ARG A 22 0.587 -10.726 -5.219 1.00 0.00 C ATOM 354 CG ARG A 22 0.502 -9.537 -6.153 1.00 0.00 C ATOM 355 CD ARG A 22 1.429 -9.736 -7.323 1.00 0.00 C ATOM 356 NE ARG A 22 1.035 -10.909 -8.080 1.00 0.00 N ATOM 357 CZ ARG A 22 1.768 -11.518 -9.025 1.00 0.00 C ATOM 358 NH1 ARG A 22 2.953 -11.029 -9.381 1.00 0.00 N ATOM 359 NH2 ARG A 22 1.316 -12.617 -9.613 1.00 0.00 N ATOM 0 H ARG A 22 1.178 -9.088 -3.608 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.254 -10.362 -4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.632 -10.897 -4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.240 -11.614 -5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.522 -9.414 -6.506 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.767 -8.625 -5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.409 -8.856 -7.966 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.454 -9.850 -6.969 1.00 0.00 H new ATOM 0 HE ARG A 22 0.118 -11.307 -7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.311 -10.185 -8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.503 -11.498 -10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.409 -13.001 -9.347 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.875 -13.078 -10.331 1.00 0.00 H new ATOM 373 N GLN A 23 0.774 -11.999 -2.253 1.00 0.00 N ATOM 374 CA GLN A 23 0.861 -13.158 -1.377 1.00 0.00 C ATOM 375 C GLN A 23 -0.362 -13.228 -0.496 1.00 0.00 C ATOM 376 O GLN A 23 -1.129 -14.189 -0.546 1.00 0.00 O ATOM 377 CB GLN A 23 2.070 -13.050 -0.455 1.00 0.00 C ATOM 378 CG GLN A 23 3.388 -12.909 -1.155 1.00 0.00 C ATOM 379 CD GLN A 23 3.737 -14.143 -1.929 1.00 0.00 C ATOM 380 OE1 GLN A 23 3.433 -15.243 -1.521 1.00 0.00 O ATOM 381 NE2 GLN A 23 4.291 -13.990 -3.069 1.00 0.00 N ATOM 0 H GLN A 23 1.524 -11.320 -2.122 1.00 0.00 H new ATOM 0 HA GLN A 23 0.944 -14.042 -2.009 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.931 -12.192 0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.105 -13.936 0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.352 -12.054 -1.830 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.169 -12.705 -0.423 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.539 -13.056 -3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.485 -14.802 -3.655 1.00 0.00 H new ATOM 390 N TYR A 24 -0.565 -12.176 0.276 1.00 0.00 N ATOM 391 CA TYR A 24 -1.622 -12.136 1.249 1.00 0.00 C ATOM 392 C TYR A 24 -2.987 -12.216 0.575 1.00 0.00 C ATOM 393 O TYR A 24 -3.858 -12.970 1.010 1.00 0.00 O ATOM 394 CB TYR A 24 -1.493 -10.875 2.069 1.00 0.00 C ATOM 395 CG TYR A 24 -2.365 -10.861 3.291 1.00 0.00 C ATOM 396 CD1 TYR A 24 -1.886 -11.318 4.507 1.00 0.00 C ATOM 397 CD2 TYR A 24 -3.664 -10.399 3.228 1.00 0.00 C ATOM 398 CE1 TYR A 24 -2.684 -11.309 5.624 1.00 0.00 C ATOM 399 CE2 TYR A 24 -4.464 -10.385 4.326 1.00 0.00 C ATOM 400 CZ TYR A 24 -3.974 -10.842 5.532 1.00 0.00 C ATOM 401 OH TYR A 24 -4.770 -10.828 6.646 1.00 0.00 O ATOM 0 H TYR A 24 0.003 -11.329 0.240 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.537 -13.000 1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.453 -10.754 2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.744 -10.018 1.444 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.873 -11.686 4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.053 -10.041 2.286 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.301 -11.666 6.569 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.477 -10.018 4.255 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.651 -10.468 6.414 1.00 0.00 H new ATOM 411 N LEU A 25 -3.133 -11.456 -0.488 1.00 0.00 N ATOM 412 CA LEU A 25 -4.365 -11.429 -1.320 1.00 0.00 C ATOM 413 C LEU A 25 -4.723 -12.815 -1.867 1.00 0.00 C ATOM 414 O LEU A 25 -5.897 -13.160 -1.976 1.00 0.00 O ATOM 415 CB LEU A 25 -4.239 -10.462 -2.503 1.00 0.00 C ATOM 416 CG LEU A 25 -4.115 -8.967 -2.201 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.933 -8.208 -3.489 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.337 -8.436 -1.471 1.00 0.00 C ATOM 0 H LEU A 25 -2.405 -10.824 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.157 -11.087 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.366 -10.758 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.111 -10.602 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.249 -8.827 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.845 -7.143 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.029 -8.553 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.794 -8.378 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.210 -7.371 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.223 -8.588 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.456 -8.967 -0.527 1.00 0.00 H new ATOM 430 N ALA A 26 -3.711 -13.601 -2.195 1.00 0.00 N ATOM 431 CA ALA A 26 -3.906 -14.948 -2.728 1.00 0.00 C ATOM 432 C ALA A 26 -4.300 -15.933 -1.634 1.00 0.00 C ATOM 433 O ALA A 26 -4.679 -17.078 -1.915 1.00 0.00 O ATOM 434 CB ALA A 26 -2.644 -15.428 -3.411 1.00 0.00 C ATOM 0 H ALA A 26 -2.732 -13.329 -2.101 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.719 -14.900 -3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.802 -16.432 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.394 -14.753 -4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.825 -15.444 -2.692 1.00 0.00 H new ATOM 440 N GLY A 27 -4.223 -15.500 -0.403 1.00 0.00 N ATOM 441 CA GLY A 27 -4.534 -16.347 0.688 1.00 0.00 C ATOM 442 C GLY A 27 -3.305 -16.991 1.254 1.00 0.00 C ATOM 443 O GLY A 27 -3.375 -18.073 1.848 1.00 0.00 O ATOM 0 H GLY A 27 -3.943 -14.554 -0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.034 -15.770 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.233 -17.118 0.363 1.00 0.00 H new ATOM 447 N LYS A 28 -2.160 -16.373 1.028 1.00 0.00 N ATOM 448 CA LYS A 28 -0.921 -16.858 1.580 1.00 0.00 C ATOM 449 C LYS A 28 -0.604 -16.053 2.812 1.00 0.00 C ATOM 450 O LYS A 28 -0.942 -14.866 2.894 1.00 0.00 O ATOM 451 CB LYS A 28 0.231 -16.751 0.569 1.00 0.00 C ATOM 452 CG LYS A 28 -0.102 -17.350 -0.785 1.00 0.00 C ATOM 453 CD LYS A 28 1.060 -17.245 -1.741 1.00 0.00 C ATOM 454 CE LYS A 28 2.233 -18.106 -1.296 1.00 0.00 C ATOM 455 NZ LYS A 28 3.362 -18.004 -2.235 1.00 0.00 N ATOM 0 H LYS A 28 -2.069 -15.530 0.462 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.033 -17.913 1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.495 -15.701 0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.109 -17.253 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.379 -18.397 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.968 -16.839 -1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.741 -17.551 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.379 -16.205 -1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.556 -17.797 -0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.915 -19.146 -1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.132 -18.629 -1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.050 -18.289 -3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.703 -17.022 -2.263 1.00 0.00 H new ATOM 469 N THR A 29 0.007 -16.674 3.754 1.00 0.00 N ATOM 470 CA THR A 29 0.357 -16.012 4.977 1.00 0.00 C ATOM 471 C THR A 29 1.815 -15.627 4.887 1.00 0.00 C ATOM 472 O THR A 29 2.698 -16.485 4.860 1.00 0.00 O ATOM 473 CB THR A 29 0.098 -16.906 6.199 1.00 0.00 C ATOM 474 OG1 THR A 29 -1.237 -17.442 6.100 1.00 0.00 O ATOM 475 CG2 THR A 29 0.202 -16.089 7.477 1.00 0.00 C ATOM 0 H THR A 29 0.283 -17.655 3.708 1.00 0.00 H new ATOM 0 HA THR A 29 -0.264 -15.126 5.108 1.00 0.00 H new ATOM 0 HB THR A 29 0.836 -17.707 6.224 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.417 -18.017 6.873 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.017 -16.733 8.337 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.201 -15.660 7.554 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.537 -15.288 7.458 1.00 0.00 H new ATOM 483 N VAL A 30 2.056 -14.355 4.804 1.00 0.00 N ATOM 484 CA VAL A 30 3.365 -13.859 4.544 1.00 0.00 C ATOM 485 C VAL A 30 4.067 -13.572 5.860 1.00 0.00 C ATOM 486 O VAL A 30 3.667 -12.674 6.603 1.00 0.00 O ATOM 487 CB VAL A 30 3.305 -12.559 3.712 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.517 -12.430 2.813 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.009 -12.434 2.916 1.00 0.00 C ATOM 0 H VAL A 30 1.345 -13.632 4.916 1.00 0.00 H new ATOM 0 HA VAL A 30 3.913 -14.613 3.980 1.00 0.00 H new ATOM 0 HB VAL A 30 3.317 -11.730 4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.448 -11.506 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.421 -12.412 3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.556 -13.279 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.018 -11.503 2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.921 -13.276 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.160 -12.434 3.600 1.00 0.00 H new ATOM 499 N SER A 31 5.065 -14.348 6.160 1.00 0.00 N ATOM 500 CA SER A 31 5.836 -14.172 7.353 1.00 0.00 C ATOM 501 C SER A 31 6.735 -12.948 7.182 1.00 0.00 C ATOM 502 O SER A 31 7.567 -12.898 6.273 1.00 0.00 O ATOM 503 CB SER A 31 6.674 -15.440 7.617 1.00 0.00 C ATOM 504 OG SER A 31 7.434 -15.345 8.823 1.00 0.00 O ATOM 0 H SER A 31 5.369 -15.128 5.578 1.00 0.00 H new ATOM 0 HA SER A 31 5.180 -14.013 8.209 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.013 -16.305 7.674 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.348 -15.609 6.777 1.00 0.00 H new ATOM 0 HG SER A 31 7.948 -16.170 8.952 1.00 0.00 H new ATOM 510 N GLY A 32 6.520 -11.947 8.015 1.00 0.00 N ATOM 511 CA GLY A 32 7.350 -10.767 7.977 1.00 0.00 C ATOM 512 C GLY A 32 6.701 -9.588 7.292 1.00 0.00 C ATOM 513 O GLY A 32 7.347 -8.562 7.085 1.00 0.00 O ATOM 0 H GLY A 32 5.783 -11.931 8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.611 -10.484 8.997 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.282 -11.006 7.464 1.00 0.00 H new ATOM 517 N ILE A 33 5.433 -9.716 6.943 1.00 0.00 N ATOM 518 CA ILE A 33 4.727 -8.637 6.297 1.00 0.00 C ATOM 519 C ILE A 33 4.108 -7.741 7.361 1.00 0.00 C ATOM 520 O ILE A 33 3.756 -8.220 8.463 1.00 0.00 O ATOM 521 CB ILE A 33 3.608 -9.180 5.326 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.122 -8.083 4.373 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.403 -9.770 6.095 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.166 -8.597 3.299 1.00 0.00 C ATOM 0 H ILE A 33 4.877 -10.557 7.098 1.00 0.00 H new ATOM 0 HA ILE A 33 5.435 -8.067 5.696 1.00 0.00 H new ATOM 0 HB ILE A 33 4.066 -9.982 4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.624 -7.304 4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.984 -7.621 3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.659 -10.131 5.384 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.740 -10.598 6.719 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.960 -8.998 6.724 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.860 -7.770 2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.668 -9.355 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.287 -9.033 3.773 1.00 0.00 H new ATOM 536 N ASP A 34 4.024 -6.473 7.083 1.00 0.00 N ATOM 537 CA ASP A 34 3.308 -5.575 7.961 1.00 0.00 C ATOM 538 C ASP A 34 1.900 -5.599 7.463 1.00 0.00 C ATOM 539 O ASP A 34 1.594 -4.934 6.484 1.00 0.00 O ATOM 540 CB ASP A 34 3.822 -4.132 7.878 1.00 0.00 C ATOM 541 CG ASP A 34 3.294 -3.256 9.009 1.00 0.00 C ATOM 542 OD1 ASP A 34 2.069 -3.128 9.184 1.00 0.00 O ATOM 543 OD2 ASP A 34 4.116 -2.652 9.729 1.00 0.00 O ATOM 0 H ASP A 34 4.438 -6.032 6.261 1.00 0.00 H new ATOM 0 HA ASP A 34 3.425 -5.891 8.998 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.912 -4.136 7.905 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.528 -3.700 6.921 1.00 0.00 H new ATOM 548 N LYS A 35 1.051 -6.393 8.098 1.00 0.00 N ATOM 549 CA LYS A 35 -0.313 -6.628 7.624 1.00 0.00 C ATOM 550 C LYS A 35 -1.136 -5.327 7.554 1.00 0.00 C ATOM 551 O LYS A 35 -2.052 -5.191 6.740 1.00 0.00 O ATOM 552 CB LYS A 35 -1.027 -7.624 8.530 1.00 0.00 C ATOM 553 CG LYS A 35 -2.299 -8.187 7.914 1.00 0.00 C ATOM 554 CD LYS A 35 -3.177 -8.883 8.939 1.00 0.00 C ATOM 555 CE LYS A 35 -2.477 -10.054 9.602 1.00 0.00 C ATOM 556 NZ LYS A 35 -3.322 -10.666 10.634 1.00 0.00 N ATOM 0 H LYS A 35 1.284 -6.894 8.956 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.232 -7.034 6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.349 -8.445 8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.272 -7.136 9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.862 -7.379 7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.037 -8.892 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.479 -8.165 9.702 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.087 -9.235 8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.220 -10.800 8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.542 -9.716 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.816 -11.464 11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.546 -9.959 11.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.204 -11.010 10.202 1.00 0.00 H new ATOM 570 N ASN A 36 -0.749 -4.364 8.357 1.00 0.00 N ATOM 571 CA ASN A 36 -1.457 -3.116 8.486 1.00 0.00 C ATOM 572 C ASN A 36 -1.164 -2.226 7.288 1.00 0.00 C ATOM 573 O ASN A 36 -1.979 -1.378 6.916 1.00 0.00 O ATOM 574 CB ASN A 36 -0.998 -2.378 9.747 1.00 0.00 C ATOM 575 CG ASN A 36 -0.905 -3.255 10.979 1.00 0.00 C ATOM 576 OD1 ASN A 36 -1.871 -3.435 11.719 1.00 0.00 O ATOM 577 ND2 ASN A 36 0.276 -3.774 11.226 1.00 0.00 N ATOM 0 H ASN A 36 0.080 -4.428 8.948 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.523 -3.334 8.544 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.022 -1.931 9.558 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.690 -1.560 9.948 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.417 -4.350 12.056 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.053 -3.601 10.588 1.00 0.00 H new ATOM 584 N ALA A 37 -0.024 -2.457 6.641 1.00 0.00 N ATOM 585 CA ALA A 37 0.429 -1.601 5.561 1.00 0.00 C ATOM 586 C ALA A 37 -0.215 -1.978 4.240 1.00 0.00 C ATOM 587 O ALA A 37 -0.012 -1.299 3.227 1.00 0.00 O ATOM 588 CB ALA A 37 1.934 -1.652 5.462 1.00 0.00 C ATOM 0 H ALA A 37 0.601 -3.235 6.851 1.00 0.00 H new ATOM 0 HA ALA A 37 0.124 -0.579 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.267 -1.007 4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.372 -1.310 6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.251 -2.676 5.266 1.00 0.00 H new ATOM 594 N LEU A 38 -1.000 -3.048 4.264 1.00 0.00 N ATOM 595 CA LEU A 38 -1.689 -3.540 3.082 1.00 0.00 C ATOM 596 C LEU A 38 -2.927 -2.766 2.816 1.00 0.00 C ATOM 597 O LEU A 38 -3.354 -2.688 1.696 1.00 0.00 O ATOM 598 CB LEU A 38 -2.077 -5.016 3.184 1.00 0.00 C ATOM 599 CG LEU A 38 -0.988 -6.061 3.031 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.001 -5.992 4.118 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.592 -7.423 2.968 1.00 0.00 C ATOM 0 H LEU A 38 -1.176 -3.598 5.105 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.975 -3.418 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.549 -5.169 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.835 -5.213 2.426 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.462 -5.854 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.761 -6.758 3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.472 -5.009 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.496 -6.158 5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.802 -8.166 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.148 -7.617 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.267 -7.482 2.115 1.00 0.00 H new ATOM 613 N ASP A 39 -3.517 -2.195 3.846 1.00 0.00 N ATOM 614 CA ASP A 39 -4.741 -1.436 3.675 1.00 0.00 C ATOM 615 C ASP A 39 -4.406 -0.015 3.279 1.00 0.00 C ATOM 616 O ASP A 39 -4.403 0.910 4.080 1.00 0.00 O ATOM 617 CB ASP A 39 -5.631 -1.522 4.908 1.00 0.00 C ATOM 618 CG ASP A 39 -6.920 -0.732 4.783 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.632 -0.855 3.747 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.272 -0.001 5.737 1.00 0.00 O ATOM 0 H ASP A 39 -3.172 -2.241 4.805 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.326 -1.873 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.873 -2.568 5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.075 -1.160 5.773 1.00 0.00 H new ATOM 625 N ILE A 40 -4.025 0.094 2.044 1.00 0.00 N ATOM 626 CA ILE A 40 -3.535 1.299 1.443 1.00 0.00 C ATOM 627 C ILE A 40 -4.648 2.295 1.166 1.00 0.00 C ATOM 628 O ILE A 40 -4.464 3.497 1.315 1.00 0.00 O ATOM 629 CB ILE A 40 -2.736 0.970 0.158 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.703 -0.102 0.498 1.00 0.00 C ATOM 631 CG2 ILE A 40 -2.026 2.225 -0.353 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.054 -0.749 -0.687 1.00 0.00 C ATOM 0 H ILE A 40 -4.048 -0.692 1.395 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.863 1.777 2.156 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.412 0.612 -0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.927 0.345 1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.186 -0.874 1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.467 1.984 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.764 2.995 -0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.340 2.592 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.337 -1.496 -0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.815 -1.231 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.537 0.008 -1.277 1.00 0.00 H new ATOM 644 N ASN A 41 -5.815 1.806 0.794 1.00 0.00 N ATOM 645 CA ASN A 41 -6.930 2.711 0.498 1.00 0.00 C ATOM 646 C ASN A 41 -7.604 3.167 1.800 1.00 0.00 C ATOM 647 O ASN A 41 -8.428 4.081 1.801 1.00 0.00 O ATOM 648 CB ASN A 41 -7.963 2.073 -0.467 1.00 0.00 C ATOM 649 CG ASN A 41 -8.904 1.070 0.182 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.579 0.419 1.153 1.00 0.00 O ATOM 651 ND2 ASN A 41 -10.059 0.909 -0.363 1.00 0.00 N ATOM 0 H ASN A 41 -6.023 0.813 0.689 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.519 3.583 -0.012 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.557 2.868 -0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.426 1.577 -1.276 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.714 0.228 0.021 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.320 1.463 -1.179 1.00 0.00 H new ATOM 658 N GLY A 42 -7.218 2.524 2.903 1.00 0.00 N ATOM 659 CA GLY A 42 -7.752 2.848 4.207 1.00 0.00 C ATOM 660 C GLY A 42 -9.235 2.541 4.365 1.00 0.00 C ATOM 661 O GLY A 42 -10.029 3.447 4.628 1.00 0.00 O ATOM 0 H GLY A 42 -6.531 1.770 2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.195 2.295 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.589 3.908 4.402 1.00 0.00 H new ATOM 665 N ASP A 43 -9.615 1.289 4.174 1.00 0.00 N ATOM 666 CA ASP A 43 -11.015 0.886 4.368 1.00 0.00 C ATOM 667 C ASP A 43 -11.173 -0.095 5.519 1.00 0.00 C ATOM 668 O ASP A 43 -12.292 -0.325 5.994 1.00 0.00 O ATOM 669 CB ASP A 43 -11.720 0.353 3.085 1.00 0.00 C ATOM 670 CG ASP A 43 -11.081 -0.859 2.430 1.00 0.00 C ATOM 671 OD1 ASP A 43 -11.227 -1.034 1.210 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.350 -1.617 3.066 1.00 0.00 O ATOM 0 H ASP A 43 -8.990 0.536 3.888 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.529 1.812 4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.751 0.104 3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.757 1.160 2.353 1.00 0.00 H new ATOM 677 N GLY A 44 -10.067 -0.676 5.961 1.00 0.00 N ATOM 678 CA GLY A 44 -10.106 -1.612 7.064 1.00 0.00 C ATOM 679 C GLY A 44 -10.044 -3.068 6.624 1.00 0.00 C ATOM 680 O GLY A 44 -10.103 -3.975 7.450 1.00 0.00 O ATOM 0 H GLY A 44 -9.138 -0.514 5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.271 -1.407 7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.020 -1.451 7.635 1.00 0.00 H new ATOM 684 N ALA A 45 -9.951 -3.293 5.335 1.00 0.00 N ATOM 685 CA ALA A 45 -9.855 -4.638 4.799 1.00 0.00 C ATOM 686 C ALA A 45 -8.751 -4.695 3.771 1.00 0.00 C ATOM 687 O ALA A 45 -8.428 -3.688 3.157 1.00 0.00 O ATOM 688 CB ALA A 45 -11.176 -5.050 4.163 1.00 0.00 C ATOM 0 H ALA A 45 -9.939 -2.557 4.629 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.629 -5.328 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.089 -6.061 3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.966 -5.022 4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.421 -4.362 3.354 1.00 0.00 H new ATOM 694 N VAL A 46 -8.173 -5.837 3.585 1.00 0.00 N ATOM 695 CA VAL A 46 -7.156 -6.011 2.616 1.00 0.00 C ATOM 696 C VAL A 46 -7.823 -6.521 1.347 1.00 0.00 C ATOM 697 O VAL A 46 -8.245 -7.678 1.269 1.00 0.00 O ATOM 698 CB VAL A 46 -6.103 -7.015 3.097 1.00 0.00 C ATOM 699 CG1 VAL A 46 -5.028 -7.109 2.078 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.519 -6.604 4.445 1.00 0.00 C ATOM 0 H VAL A 46 -8.401 -6.681 4.111 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.644 -5.066 2.437 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.577 -7.988 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.273 -7.821 2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.452 -7.445 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.569 -6.130 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.775 -7.337 4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.048 -5.625 4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.316 -6.556 5.187 1.00 0.00 H new ATOM 710 N ASN A 47 -7.969 -5.655 0.399 1.00 0.00 N ATOM 711 CA ASN A 47 -8.698 -5.947 -0.794 1.00 0.00 C ATOM 712 C ASN A 47 -7.974 -5.470 -2.034 1.00 0.00 C ATOM 713 O ASN A 47 -6.949 -4.801 -1.936 1.00 0.00 O ATOM 714 CB ASN A 47 -10.153 -5.411 -0.687 1.00 0.00 C ATOM 715 CG ASN A 47 -10.290 -4.013 -0.065 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.448 -3.121 -0.231 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.319 -3.824 0.701 1.00 0.00 N ATOM 0 H ASN A 47 -7.581 -4.712 0.430 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.764 -7.030 -0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.591 -5.392 -1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.740 -6.114 -0.095 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.443 -2.930 1.177 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -12.004 -4.569 0.828 1.00 0.00 H new ATOM 724 N GLY A 48 -8.515 -5.807 -3.211 1.00 0.00 N ATOM 725 CA GLY A 48 -7.881 -5.440 -4.490 1.00 0.00 C ATOM 726 C GLY A 48 -7.810 -3.945 -4.718 1.00 0.00 C ATOM 727 O GLY A 48 -7.066 -3.480 -5.568 1.00 0.00 O ATOM 0 H GLY A 48 -9.385 -6.330 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.873 -5.853 -4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.437 -5.899 -5.308 1.00 0.00 H new ATOM 731 N ARG A 49 -8.581 -3.195 -3.944 1.00 0.00 N ATOM 732 CA ARG A 49 -8.565 -1.745 -3.988 1.00 0.00 C ATOM 733 C ARG A 49 -7.198 -1.260 -3.541 1.00 0.00 C ATOM 734 O ARG A 49 -6.655 -0.313 -4.089 1.00 0.00 O ATOM 735 CB ARG A 49 -9.588 -1.176 -3.028 1.00 0.00 C ATOM 736 CG ARG A 49 -10.939 -1.830 -3.086 1.00 0.00 C ATOM 737 CD ARG A 49 -11.913 -1.107 -2.193 1.00 0.00 C ATOM 738 NE ARG A 49 -13.240 -1.707 -2.210 1.00 0.00 N ATOM 739 CZ ARG A 49 -14.119 -1.657 -1.207 1.00 0.00 C ATOM 740 NH1 ARG A 49 -13.750 -1.249 0.007 1.00 0.00 N ATOM 741 NH2 ARG A 49 -15.353 -2.074 -1.407 1.00 0.00 N ATOM 0 H ARG A 49 -9.238 -3.580 -3.265 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.792 -1.423 -5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.201 -1.264 -2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.706 -0.112 -3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.307 -1.828 -4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.859 -2.872 -2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.532 -1.106 -1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.985 -0.066 -2.508 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.520 -2.205 -3.055 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.784 -0.970 0.179 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.433 -1.216 0.764 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.629 -2.431 -2.322 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.032 -2.040 -0.647 1.00 0.00 H new ATOM 755 N ASP A 50 -6.639 -1.968 -2.559 1.00 0.00 N ATOM 756 CA ASP A 50 -5.350 -1.643 -1.985 1.00 0.00 C ATOM 757 C ASP A 50 -4.279 -2.007 -2.951 1.00 0.00 C ATOM 758 O ASP A 50 -3.308 -1.305 -3.087 1.00 0.00 O ATOM 759 CB ASP A 50 -5.119 -2.410 -0.706 1.00 0.00 C ATOM 760 CG ASP A 50 -6.175 -2.195 0.316 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.362 -1.079 0.795 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.890 -3.129 0.685 1.00 0.00 O ATOM 0 H ASP A 50 -7.079 -2.788 -2.142 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.331 -0.575 -1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.059 -3.474 -0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.155 -2.120 -0.287 1.00 0.00 H new ATOM 767 N LEU A 51 -4.485 -3.126 -3.630 1.00 0.00 N ATOM 768 CA LEU A 51 -3.593 -3.579 -4.693 1.00 0.00 C ATOM 769 C LEU A 51 -3.485 -2.515 -5.764 1.00 0.00 C ATOM 770 O LEU A 51 -2.394 -2.163 -6.181 1.00 0.00 O ATOM 771 CB LEU A 51 -4.107 -4.895 -5.295 1.00 0.00 C ATOM 772 CG LEU A 51 -3.437 -5.410 -6.590 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.943 -5.649 -6.418 1.00 0.00 C ATOM 774 CD2 LEU A 51 -4.105 -6.685 -7.025 1.00 0.00 C ATOM 0 H LEU A 51 -5.276 -3.748 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.603 -3.756 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.008 -5.671 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.172 -4.778 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.556 -4.638 -7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.522 -6.010 -7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.455 -4.716 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.781 -6.393 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.634 -7.049 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.004 -7.435 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.162 -6.496 -7.213 1.00 0.00 H new ATOM 786 N MET A 52 -4.622 -1.979 -6.171 1.00 0.00 N ATOM 787 CA MET A 52 -4.648 -0.929 -7.180 1.00 0.00 C ATOM 788 C MET A 52 -3.979 0.342 -6.668 1.00 0.00 C ATOM 789 O MET A 52 -3.331 1.063 -7.433 1.00 0.00 O ATOM 790 CB MET A 52 -6.064 -0.643 -7.660 1.00 0.00 C ATOM 791 CG MET A 52 -6.745 -1.855 -8.265 1.00 0.00 C ATOM 792 SD MET A 52 -8.325 -1.471 -9.033 1.00 0.00 S ATOM 793 CE MET A 52 -7.767 -0.487 -10.417 1.00 0.00 C ATOM 0 H MET A 52 -5.540 -2.252 -5.820 1.00 0.00 H new ATOM 0 HA MET A 52 -4.079 -1.290 -8.037 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.659 -0.281 -6.822 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.035 0.157 -8.400 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.085 -2.300 -9.010 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.899 -2.603 -7.487 1.00 0.00 H new ATOM 0 HE1 MET A 52 -8.529 -0.491 -11.197 1.00 0.00 H new ATOM 0 HE2 MET A 52 -7.590 0.537 -10.088 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.842 -0.906 -10.812 1.00 0.00 H new ATOM 803 N GLU A 53 -4.116 0.598 -5.375 1.00 0.00 N ATOM 804 CA GLU A 53 -3.445 1.717 -4.732 1.00 0.00 C ATOM 805 C GLU A 53 -1.948 1.503 -4.712 1.00 0.00 C ATOM 806 O GLU A 53 -1.200 2.424 -4.927 1.00 0.00 O ATOM 807 CB GLU A 53 -3.936 1.929 -3.310 1.00 0.00 C ATOM 808 CG GLU A 53 -5.350 2.455 -3.195 1.00 0.00 C ATOM 809 CD GLU A 53 -5.516 3.784 -3.880 1.00 0.00 C ATOM 810 OE1 GLU A 53 -5.017 4.800 -3.374 1.00 0.00 O ATOM 811 OE2 GLU A 53 -6.154 3.845 -4.940 1.00 0.00 O ATOM 0 H GLU A 53 -4.692 0.039 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.682 2.606 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.872 0.982 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.263 2.625 -2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.041 1.734 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.615 2.554 -2.142 1.00 0.00 H new ATOM 818 N LEU A 54 -1.527 0.284 -4.456 1.00 0.00 N ATOM 819 CA LEU A 54 -0.118 -0.060 -4.432 1.00 0.00 C ATOM 820 C LEU A 54 0.493 0.120 -5.807 1.00 0.00 C ATOM 821 O LEU A 54 1.565 0.698 -5.947 1.00 0.00 O ATOM 822 CB LEU A 54 0.078 -1.490 -3.967 1.00 0.00 C ATOM 823 CG LEU A 54 1.520 -1.908 -3.708 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.165 -0.985 -2.695 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.560 -3.325 -3.217 1.00 0.00 C ATOM 0 H LEU A 54 -2.150 -0.499 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 54 0.381 0.608 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.494 -1.636 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.346 -2.158 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 54 2.078 -1.839 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.195 -1.298 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.155 0.036 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.610 -1.028 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.594 -3.618 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.991 -3.405 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.125 -3.983 -3.969 1.00 0.00 H new ATOM 837 N ILE A 55 -0.211 -0.368 -6.809 1.00 0.00 N ATOM 838 CA ILE A 55 0.190 -0.211 -8.205 1.00 0.00 C ATOM 839 C ILE A 55 0.299 1.279 -8.527 1.00 0.00 C ATOM 840 O ILE A 55 1.248 1.689 -9.144 1.00 0.00 O ATOM 841 CB ILE A 55 -0.802 -0.925 -9.170 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.873 -2.430 -8.828 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.375 -0.729 -10.630 1.00 0.00 C ATOM 844 CD1 ILE A 55 -1.952 -3.204 -9.570 1.00 0.00 C ATOM 0 H ILE A 55 -1.080 -0.887 -6.684 1.00 0.00 H new ATOM 0 HA ILE A 55 1.161 -0.684 -8.350 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.791 -0.484 -9.044 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.094 -2.883 -9.046 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.041 -2.537 -7.756 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.082 -1.236 -11.287 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.360 0.335 -10.865 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.621 -1.147 -10.777 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.925 -4.250 -9.265 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.929 -2.783 -9.334 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.776 -3.135 -10.644 1.00 0.00 H new ATOM 856 N LYS A 56 -0.658 2.068 -8.046 1.00 0.00 N ATOM 857 CA LYS A 56 -0.613 3.531 -8.143 1.00 0.00 C ATOM 858 C LYS A 56 0.690 4.064 -7.534 1.00 0.00 C ATOM 859 O LYS A 56 1.461 4.729 -8.213 1.00 0.00 O ATOM 860 CB LYS A 56 -1.810 4.126 -7.388 1.00 0.00 C ATOM 861 CG LYS A 56 -1.703 5.619 -7.043 1.00 0.00 C ATOM 862 CD LYS A 56 -2.829 6.058 -6.118 1.00 0.00 C ATOM 863 CE LYS A 56 -4.188 5.960 -6.778 1.00 0.00 C ATOM 864 NZ LYS A 56 -5.271 6.350 -5.858 1.00 0.00 N ATOM 0 H LYS A 56 -1.491 1.713 -7.576 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.656 3.819 -9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.707 3.974 -7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.947 3.567 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.742 5.816 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.732 6.209 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.819 5.441 -5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.655 7.086 -5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.211 6.601 -7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.353 4.939 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.837 5.512 -5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.862 6.757 -4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.880 7.056 -6.318 1.00 0.00 H new ATOM 878 N LYS A 57 0.925 3.713 -6.271 1.00 0.00 N ATOM 879 CA LYS A 57 2.075 4.173 -5.498 1.00 0.00 C ATOM 880 C LYS A 57 3.386 3.872 -6.197 1.00 0.00 C ATOM 881 O LYS A 57 4.165 4.768 -6.492 1.00 0.00 O ATOM 882 CB LYS A 57 2.094 3.506 -4.108 1.00 0.00 C ATOM 883 CG LYS A 57 0.883 3.781 -3.211 1.00 0.00 C ATOM 884 CD LYS A 57 0.643 5.263 -2.974 1.00 0.00 C ATOM 885 CE LYS A 57 1.834 5.898 -2.276 1.00 0.00 C ATOM 886 NZ LYS A 57 1.637 7.332 -2.029 1.00 0.00 N ATOM 0 H LYS A 57 0.310 3.090 -5.748 1.00 0.00 H new ATOM 0 HA LYS A 57 1.973 5.253 -5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.181 2.428 -4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.991 3.833 -3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.006 3.343 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.028 3.284 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.464 5.764 -3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.253 5.399 -2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.010 5.389 -1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.727 5.756 -2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.475 7.720 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.495 7.824 -2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.801 7.469 -1.426 1.00 0.00 H new ATOM 900 N VAL A 58 3.580 2.626 -6.502 1.00 0.00 N ATOM 901 CA VAL A 58 4.808 2.134 -7.063 1.00 0.00 C ATOM 902 C VAL A 58 4.984 2.532 -8.538 1.00 0.00 C ATOM 903 O VAL A 58 6.102 2.655 -9.014 1.00 0.00 O ATOM 904 CB VAL A 58 4.854 0.614 -6.895 1.00 0.00 C ATOM 905 CG1 VAL A 58 6.157 0.025 -7.421 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.674 0.256 -5.428 1.00 0.00 C ATOM 0 H VAL A 58 2.874 1.903 -6.366 1.00 0.00 H new ATOM 0 HA VAL A 58 5.638 2.593 -6.526 1.00 0.00 H new ATOM 0 HB VAL A 58 4.041 0.187 -7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.149 -1.056 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.258 0.255 -8.482 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.997 0.455 -6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.707 -0.827 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.474 0.709 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.712 0.629 -5.078 1.00 0.00 H new