USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 469 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 46 LYS NZ :NH3+ 176:sc= 0.171 (180deg=-0.00794) USER MOD Set 1.2: A 53 THR OG1 : rot -140:sc= 0.162 USER MOD Set 2.1: A 3 TYR OH : rot 80:sc= -1.62! USER MOD Set 2.2: A 45 TYR OH : rot 180:sc= -0.869 USER MOD Single : A 1 THR N :NH3+ -177:sc= 1.34 (180deg=1.27) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00536 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= -0.0171 (180deg=-0.196) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 0.00792 (180deg=0.00323) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.47!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0608 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.173) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.53 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.795 -15.146 2.481 1.00 0.00 N ATOM 2 CA THR A 1 3.315 -14.855 1.104 1.00 0.00 C ATOM 3 C THR A 1 3.833 -13.506 0.617 1.00 0.00 C ATOM 4 O THR A 1 3.627 -12.479 1.266 1.00 0.00 O ATOM 5 CB THR A 1 1.786 -14.862 1.111 1.00 0.00 C ATOM 6 OG1 THR A 1 1.292 -15.810 2.037 1.00 0.00 O ATOM 7 CG2 THR A 1 1.183 -15.178 -0.240 1.00 0.00 C ATOM 0 H1 THR A 1 3.471 -16.091 2.769 1.00 0.00 H new ATOM 0 H2 THR A 1 4.834 -15.116 2.500 1.00 0.00 H new ATOM 0 H3 THR A 1 3.416 -14.435 3.138 1.00 0.00 H new ATOM 0 HA THR A 1 3.691 -15.618 0.423 1.00 0.00 H new ATOM 0 HB THR A 1 1.494 -13.850 1.392 1.00 0.00 H new ATOM 0 HG1 THR A 1 0.312 -15.797 2.027 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.096 -15.167 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 1 1.504 -14.431 -0.966 1.00 0.00 H new ATOM 0 HG23 THR A 1 1.514 -16.165 -0.564 1.00 0.00 H new ATOM 17 N THR A 2 4.506 -13.516 -0.528 1.00 0.00 N ATOM 18 CA THR A 2 5.055 -12.290 -1.103 1.00 0.00 C ATOM 19 C THR A 2 3.950 -11.417 -1.687 1.00 0.00 C ATOM 20 O THR A 2 3.247 -11.825 -2.612 1.00 0.00 O ATOM 21 CB THR A 2 6.077 -12.625 -2.189 1.00 0.00 C ATOM 22 OG1 THR A 2 6.911 -13.704 -1.779 1.00 0.00 O ATOM 23 CG2 THR A 2 6.973 -11.463 -2.553 1.00 0.00 C ATOM 0 H THR A 2 4.685 -14.357 -1.077 1.00 0.00 H new ATOM 0 HA THR A 2 5.548 -11.736 -0.304 1.00 0.00 H new ATOM 0 HB THR A 2 5.487 -12.891 -3.066 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.557 -13.905 -2.487 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.673 -11.772 -3.329 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.365 -10.636 -2.921 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.528 -11.141 -1.672 1.00 0.00 H new ATOM 31 N TYR A 3 3.807 -10.217 -1.142 1.00 0.00 N ATOM 32 CA TYR A 3 2.789 -9.283 -1.607 1.00 0.00 C ATOM 33 C TYR A 3 3.395 -8.237 -2.538 1.00 0.00 C ATOM 34 O TYR A 3 4.606 -8.007 -2.523 1.00 0.00 O ATOM 35 CB TYR A 3 2.131 -8.577 -0.424 1.00 0.00 C ATOM 36 CG TYR A 3 0.979 -9.328 0.198 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.910 -10.715 0.160 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.045 -8.636 0.827 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.150 -11.392 0.733 1.00 0.00 C ATOM 40 CE2 TYR A 3 -1.108 -9.303 1.403 1.00 0.00 C ATOM 41 CZ TYR A 3 -1.157 -10.680 1.353 1.00 0.00 C ATOM 42 OH TYR A 3 -2.215 -11.349 1.926 1.00 0.00 O ATOM 0 H TYR A 3 4.383 -9.866 -0.377 1.00 0.00 H new ATOM 0 HA TYR A 3 2.039 -9.855 -2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.886 -8.399 0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.775 -7.601 -0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.697 -11.273 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.010 -7.557 0.867 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.190 -12.471 0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.897 -8.749 1.890 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.946 -11.698 2.801 1.00 0.00 H new ATOM 52 N LYS A 4 2.545 -7.597 -3.340 1.00 0.00 N ATOM 53 CA LYS A 4 2.999 -6.568 -4.271 1.00 0.00 C ATOM 54 C LYS A 4 2.101 -5.332 -4.208 1.00 0.00 C ATOM 55 O LYS A 4 0.878 -5.442 -4.156 1.00 0.00 O ATOM 56 CB LYS A 4 3.033 -7.122 -5.698 1.00 0.00 C ATOM 57 CG LYS A 4 4.333 -6.828 -6.432 1.00 0.00 C ATOM 58 CD LYS A 4 4.977 -8.099 -6.962 1.00 0.00 C ATOM 59 CE LYS A 4 4.619 -8.340 -8.419 1.00 0.00 C ATOM 60 NZ LYS A 4 5.279 -7.357 -9.323 1.00 0.00 N ATOM 0 H LYS A 4 1.541 -7.773 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 4 4.007 -6.271 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.880 -8.201 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.202 -6.700 -6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.138 -6.146 -7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.025 -6.322 -5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.060 -8.029 -6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.654 -8.949 -6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.915 -9.350 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.538 -8.278 -8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.283 -7.727 -10.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.758 -6.457 -9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.258 -7.199 -9.009 1.00 0.00 H new ATOM 74 N LEU A 5 2.724 -4.156 -4.208 1.00 0.00 N ATOM 75 CA LEU A 5 1.991 -2.893 -4.146 1.00 0.00 C ATOM 76 C LEU A 5 2.264 -2.022 -5.352 1.00 0.00 C ATOM 77 O LEU A 5 3.392 -1.942 -5.838 1.00 0.00 O ATOM 78 CB LEU A 5 2.378 -2.069 -2.916 1.00 0.00 C ATOM 79 CG LEU A 5 1.475 -0.855 -2.653 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.007 -1.250 -2.685 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.826 -0.194 -1.329 1.00 0.00 C ATOM 0 H LEU A 5 3.738 -4.051 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 5 0.939 -3.175 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.359 -2.717 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.405 -1.723 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 5 1.647 -0.132 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.610 -0.372 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.238 -1.662 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.185 -2.000 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.173 0.663 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.694 -0.911 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.863 0.140 -1.353 1.00 0.00 H new ATOM 93 N ILE A 6 1.235 -1.321 -5.787 1.00 0.00 N ATOM 94 CA ILE A 6 1.369 -0.394 -6.885 1.00 0.00 C ATOM 95 C ILE A 6 0.609 0.883 -6.551 1.00 0.00 C ATOM 96 O ILE A 6 -0.607 0.858 -6.369 1.00 0.00 O ATOM 97 CB ILE A 6 0.848 -0.981 -8.211 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.383 -2.400 -8.411 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.243 -0.090 -9.378 1.00 0.00 C ATOM 100 CD1 ILE A 6 2.890 -2.464 -8.547 1.00 0.00 C ATOM 0 H ILE A 6 0.296 -1.379 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 6 2.430 -0.183 -7.021 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.240 -1.026 -8.168 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.076 -3.018 -7.567 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.927 -2.829 -9.303 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.867 -0.519 -10.307 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.816 0.903 -9.238 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.329 -0.014 -9.427 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.199 -3.500 -8.686 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.203 -1.873 -9.408 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.354 -2.065 -7.645 1.00 0.00 H new ATOM 112 N LEU A 7 1.332 1.991 -6.438 1.00 0.00 N ATOM 113 CA LEU A 7 0.712 3.261 -6.086 1.00 0.00 C ATOM 114 C LEU A 7 0.610 4.195 -7.283 1.00 0.00 C ATOM 115 O LEU A 7 1.557 4.351 -8.054 1.00 0.00 O ATOM 116 CB LEU A 7 1.494 3.939 -4.960 1.00 0.00 C ATOM 117 CG LEU A 7 1.838 3.032 -3.779 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.987 2.103 -4.139 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.187 3.864 -2.554 1.00 0.00 C ATOM 0 H LEU A 7 2.341 2.035 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.301 3.045 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.419 4.342 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.913 4.785 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 7 0.965 2.423 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.219 1.464 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.702 1.484 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.865 2.694 -4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.429 3.203 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.046 4.497 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.336 4.489 -2.284 1.00 0.00 H new ATOM 131 N ASN A 8 -0.553 4.824 -7.417 1.00 0.00 N ATOM 132 CA ASN A 8 -0.801 5.760 -8.507 1.00 0.00 C ATOM 133 C ASN A 8 -1.570 6.976 -7.999 1.00 0.00 C ATOM 134 O ASN A 8 -2.756 6.884 -7.681 1.00 0.00 O ATOM 135 CB ASN A 8 -1.581 5.076 -9.633 1.00 0.00 C ATOM 136 CG ASN A 8 -0.722 4.822 -10.856 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.019 3.814 -10.936 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.776 5.736 -11.817 1.00 0.00 N ATOM 0 H ASN A 8 -1.341 4.702 -6.781 1.00 0.00 H new ATOM 0 HA ASN A 8 0.160 6.092 -8.900 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.983 4.130 -9.271 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.432 5.697 -9.912 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.221 5.618 -12.665 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.373 6.556 -11.708 1.00 0.00 H new ATOM 145 N LEU A 9 -0.886 8.113 -7.918 1.00 0.00 N ATOM 146 CA LEU A 9 -1.509 9.345 -7.438 1.00 0.00 C ATOM 147 C LEU A 9 -1.720 10.337 -8.583 1.00 0.00 C ATOM 148 O LEU A 9 -2.632 11.162 -8.537 1.00 0.00 O ATOM 149 CB LEU A 9 -0.655 9.986 -6.326 1.00 0.00 C ATOM 150 CG LEU A 9 0.544 10.809 -6.812 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.141 11.606 -5.663 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.596 9.903 -7.434 1.00 0.00 C ATOM 0 H LEU A 9 0.096 8.209 -8.177 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.485 9.088 -7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.296 10.630 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.290 9.196 -5.670 1.00 0.00 H new ATOM 0 HG LEU A 9 0.197 11.507 -7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.991 12.185 -6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.387 12.282 -5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.473 10.924 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.439 10.504 -7.773 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.939 9.182 -6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.164 9.373 -8.283 1.00 0.00 H new ATOM 164 N LYS A 10 -0.876 10.252 -9.606 1.00 0.00 N ATOM 165 CA LYS A 10 -0.986 11.144 -10.749 1.00 0.00 C ATOM 166 C LYS A 10 0.039 10.782 -11.828 1.00 0.00 C ATOM 167 O LYS A 10 -0.295 10.119 -12.807 1.00 0.00 O ATOM 168 CB LYS A 10 -0.795 12.599 -10.310 1.00 0.00 C ATOM 169 CG LYS A 10 -2.089 13.390 -10.252 1.00 0.00 C ATOM 170 CD LYS A 10 -1.886 14.835 -10.661 1.00 0.00 C ATOM 171 CE LYS A 10 -3.202 15.517 -10.993 1.00 0.00 C ATOM 172 NZ LYS A 10 -3.853 16.084 -9.785 1.00 0.00 N ATOM 0 H LYS A 10 -0.113 9.578 -9.665 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.984 11.029 -11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.325 12.615 -9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.109 13.091 -10.999 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.827 12.927 -10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.493 13.352 -9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.390 15.375 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.225 14.878 -11.527 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.026 16.312 -11.717 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.874 14.800 -11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.748 16.540 -10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.045 15.322 -9.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.223 16.788 -9.349 1.00 0.00 H new ATOM 186 N GLN A 11 1.275 11.220 -11.629 1.00 0.00 N ATOM 187 CA GLN A 11 2.341 10.942 -12.585 1.00 0.00 C ATOM 188 C GLN A 11 3.540 10.292 -11.902 1.00 0.00 C ATOM 189 O GLN A 11 4.672 10.395 -12.379 1.00 0.00 O ATOM 190 CB GLN A 11 2.780 12.233 -13.279 1.00 0.00 C ATOM 191 CG GLN A 11 1.623 13.070 -13.799 1.00 0.00 C ATOM 192 CD GLN A 11 1.419 12.922 -15.291 1.00 0.00 C ATOM 193 OE1 GLN A 11 1.639 13.866 -16.061 1.00 0.00 O ATOM 194 NE2 GLN A 11 1.001 11.736 -15.717 1.00 0.00 N ATOM 0 H GLN A 11 1.565 11.767 -10.818 1.00 0.00 H new ATOM 0 HA GLN A 11 1.950 10.247 -13.328 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.364 12.831 -12.579 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.438 11.982 -14.111 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.709 12.780 -13.281 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.804 14.119 -13.564 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.832 10.985 -15.048 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.849 11.576 -16.713 1.00 0.00 H new ATOM 203 N ALA A 12 3.286 9.623 -10.786 1.00 0.00 N ATOM 204 CA ALA A 12 4.340 8.954 -10.032 1.00 0.00 C ATOM 205 C ALA A 12 3.945 7.531 -9.674 1.00 0.00 C ATOM 206 O ALA A 12 3.032 7.316 -8.878 1.00 0.00 O ATOM 207 CB ALA A 12 4.683 9.746 -8.783 1.00 0.00 C ATOM 0 H ALA A 12 2.355 9.528 -10.380 1.00 0.00 H new ATOM 0 HA ALA A 12 5.226 8.903 -10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.471 9.233 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.027 10.741 -9.066 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.798 9.834 -8.153 1.00 0.00 H new ATOM 213 N LYS A 13 4.634 6.561 -10.261 1.00 0.00 N ATOM 214 CA LYS A 13 4.353 5.154 -9.998 1.00 0.00 C ATOM 215 C LYS A 13 5.318 4.603 -8.955 1.00 0.00 C ATOM 216 O LYS A 13 6.535 4.643 -9.135 1.00 0.00 O ATOM 217 CB LYS A 13 4.469 4.336 -11.302 1.00 0.00 C ATOM 218 CG LYS A 13 5.873 4.321 -11.882 1.00 0.00 C ATOM 219 CD LYS A 13 5.862 3.916 -13.342 1.00 0.00 C ATOM 220 CE LYS A 13 5.406 5.063 -14.235 1.00 0.00 C ATOM 221 NZ LYS A 13 5.221 4.630 -15.646 1.00 0.00 N ATOM 0 H LYS A 13 5.393 6.722 -10.923 1.00 0.00 H new ATOM 0 HA LYS A 13 3.336 5.071 -9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.153 3.311 -11.108 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.782 4.747 -12.042 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.321 5.309 -11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.495 3.629 -11.315 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.861 3.596 -13.640 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.200 3.061 -13.479 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.469 5.469 -13.854 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.141 5.867 -14.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.911 5.440 -16.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.121 4.267 -16.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.501 3.880 -15.688 1.00 0.00 H new ATOM 235 N GLU A 14 4.765 4.090 -7.863 1.00 0.00 N ATOM 236 CA GLU A 14 5.577 3.532 -6.786 1.00 0.00 C ATOM 237 C GLU A 14 5.291 2.044 -6.604 1.00 0.00 C ATOM 238 O GLU A 14 4.227 1.556 -6.983 1.00 0.00 O ATOM 239 CB GLU A 14 5.314 4.284 -5.478 1.00 0.00 C ATOM 240 CG GLU A 14 6.377 5.319 -5.149 1.00 0.00 C ATOM 241 CD GLU A 14 6.369 6.490 -6.113 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.932 6.351 -7.213 1.00 0.00 O ATOM 243 OE2 GLU A 14 5.796 7.542 -5.762 1.00 0.00 O ATOM 0 H GLU A 14 3.759 4.048 -7.699 1.00 0.00 H new ATOM 0 HA GLU A 14 6.627 3.649 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.344 4.778 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.253 3.565 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.219 5.687 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.358 4.845 -5.167 1.00 0.00 H new ATOM 250 N GLU A 15 6.249 1.329 -6.024 1.00 0.00 N ATOM 251 CA GLU A 15 6.100 -0.105 -5.793 1.00 0.00 C ATOM 252 C GLU A 15 6.393 -0.458 -4.337 1.00 0.00 C ATOM 253 O GLU A 15 7.013 0.320 -3.612 1.00 0.00 O ATOM 254 CB GLU A 15 7.034 -0.888 -6.719 1.00 0.00 C ATOM 255 CG GLU A 15 7.021 -0.394 -8.157 1.00 0.00 C ATOM 256 CD GLU A 15 6.437 -1.411 -9.119 1.00 0.00 C ATOM 257 OE1 GLU A 15 7.103 -2.436 -9.375 1.00 0.00 O ATOM 258 OE2 GLU A 15 5.315 -1.182 -9.617 1.00 0.00 O ATOM 0 H GLU A 15 7.137 1.718 -5.705 1.00 0.00 H new ATOM 0 HA GLU A 15 5.068 -0.378 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.051 -0.826 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.750 -1.940 -6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.443 0.529 -8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.039 -0.153 -8.463 1.00 0.00 H new ATOM 265 N ALA A 16 5.948 -1.639 -3.919 1.00 0.00 N ATOM 266 CA ALA A 16 6.162 -2.105 -2.560 1.00 0.00 C ATOM 267 C ALA A 16 5.840 -3.590 -2.461 1.00 0.00 C ATOM 268 O ALA A 16 4.909 -4.076 -3.096 1.00 0.00 O ATOM 269 CB ALA A 16 5.294 -1.310 -1.579 1.00 0.00 C ATOM 0 H ALA A 16 5.434 -2.292 -4.510 1.00 0.00 H new ATOM 0 HA ALA A 16 7.209 -1.952 -2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.466 -1.672 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.555 -0.253 -1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.243 -1.439 -1.836 1.00 0.00 H new ATOM 275 N ILE A 17 6.614 -4.302 -1.664 1.00 0.00 N ATOM 276 CA ILE A 17 6.407 -5.734 -1.481 1.00 0.00 C ATOM 277 C ILE A 17 6.544 -6.125 -0.022 1.00 0.00 C ATOM 278 O ILE A 17 7.383 -5.588 0.699 1.00 0.00 O ATOM 279 CB ILE A 17 7.401 -6.573 -2.299 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.797 -5.947 -2.257 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.920 -6.728 -3.735 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.840 -6.744 -3.010 1.00 0.00 C ATOM 0 H ILE A 17 7.393 -3.916 -1.131 1.00 0.00 H new ATOM 0 HA ILE A 17 5.395 -5.939 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 17 7.460 -7.566 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.748 -4.942 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.110 -5.845 -1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.638 -7.325 -4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.950 -7.225 -3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.827 -5.745 -4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.804 -6.241 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.917 -7.742 -2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.550 -6.824 -4.058 1.00 0.00 H new ATOM 294 N LYS A 18 5.708 -7.060 0.410 1.00 0.00 N ATOM 295 CA LYS A 18 5.740 -7.513 1.793 1.00 0.00 C ATOM 296 C LYS A 18 5.460 -9.008 1.900 1.00 0.00 C ATOM 297 O LYS A 18 4.561 -9.532 1.244 1.00 0.00 O ATOM 298 CB LYS A 18 4.724 -6.723 2.617 1.00 0.00 C ATOM 299 CG LYS A 18 4.690 -5.248 2.258 1.00 0.00 C ATOM 300 CD LYS A 18 5.925 -4.508 2.755 1.00 0.00 C ATOM 301 CE LYS A 18 6.261 -3.328 1.857 1.00 0.00 C ATOM 302 NZ LYS A 18 7.679 -2.898 2.011 1.00 0.00 N ATOM 0 H LYS A 18 5.005 -7.516 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 18 6.742 -7.338 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.732 -7.151 2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.962 -6.829 3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.615 -5.141 1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.798 -4.792 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.756 -4.156 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.772 -5.193 2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.075 -3.598 0.818 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.601 -2.493 2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.828 -2.003 1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.893 -2.762 3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.308 -3.628 1.619 1.00 0.00 H new ATOM 316 N GLU A 19 6.237 -9.686 2.739 1.00 0.00 N ATOM 317 CA GLU A 19 6.076 -11.114 2.943 1.00 0.00 C ATOM 318 C GLU A 19 5.491 -11.401 4.323 1.00 0.00 C ATOM 319 O GLU A 19 6.164 -11.231 5.340 1.00 0.00 O ATOM 320 CB GLU A 19 7.425 -11.829 2.788 1.00 0.00 C ATOM 321 CG GLU A 19 7.477 -12.783 1.603 1.00 0.00 C ATOM 322 CD GLU A 19 7.778 -14.212 2.015 1.00 0.00 C ATOM 323 OE1 GLU A 19 8.416 -14.399 3.072 1.00 0.00 O ATOM 324 OE2 GLU A 19 7.372 -15.131 1.283 1.00 0.00 O ATOM 0 H GLU A 19 6.986 -9.264 3.288 1.00 0.00 H new ATOM 0 HA GLU A 19 5.385 -11.490 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.212 -11.083 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.639 -12.385 3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.523 -12.754 1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.239 -12.443 0.901 1.00 0.00 H new ATOM 331 N ALA A 20 4.233 -11.826 4.353 1.00 0.00 N ATOM 332 CA ALA A 20 3.561 -12.131 5.610 1.00 0.00 C ATOM 333 C ALA A 20 2.619 -13.317 5.462 1.00 0.00 C ATOM 334 O ALA A 20 2.360 -13.787 4.350 1.00 0.00 O ATOM 335 CB ALA A 20 2.800 -10.914 6.104 1.00 0.00 C ATOM 0 H ALA A 20 3.659 -11.967 3.522 1.00 0.00 H new ATOM 0 HA ALA A 20 4.323 -12.399 6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.302 -11.153 7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.495 -10.089 6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.056 -10.624 5.362 1.00 0.00 H new ATOM 341 N VAL A 21 2.112 -13.804 6.589 1.00 0.00 N ATOM 342 CA VAL A 21 1.199 -14.942 6.587 1.00 0.00 C ATOM 343 C VAL A 21 -0.220 -14.505 6.241 1.00 0.00 C ATOM 344 O VAL A 21 -0.994 -15.269 5.664 1.00 0.00 O ATOM 345 CB VAL A 21 1.192 -15.661 7.953 1.00 0.00 C ATOM 346 CG1 VAL A 21 0.696 -14.726 9.046 1.00 0.00 C ATOM 347 CG2 VAL A 21 0.342 -16.918 7.894 1.00 0.00 C ATOM 0 H VAL A 21 2.317 -13.429 7.515 1.00 0.00 H new ATOM 0 HA VAL A 21 1.556 -15.636 5.826 1.00 0.00 H new ATOM 0 HB VAL A 21 2.214 -15.954 8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.698 -15.250 10.002 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.352 -13.857 9.107 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.318 -14.400 8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.351 -17.409 8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.682 -16.653 7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.746 -17.596 7.142 1.00 0.00 H new ATOM 357 N ASP A 22 -0.555 -13.275 6.599 1.00 0.00 N ATOM 358 CA ASP A 22 -1.876 -12.732 6.331 1.00 0.00 C ATOM 359 C ASP A 22 -1.799 -11.643 5.261 1.00 0.00 C ATOM 360 O ASP A 22 -0.937 -11.684 4.385 1.00 0.00 O ATOM 361 CB ASP A 22 -2.484 -12.183 7.626 1.00 0.00 C ATOM 362 CG ASP A 22 -3.974 -12.445 7.722 1.00 0.00 C ATOM 363 OD1 ASP A 22 -4.584 -12.794 6.690 1.00 0.00 O ATOM 364 OD2 ASP A 22 -4.532 -12.301 8.830 1.00 0.00 O ATOM 0 H ASP A 22 0.074 -12.631 7.079 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.519 -13.528 5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.982 -12.637 8.481 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.302 -11.110 7.683 1.00 0.00 H new ATOM 369 N ALA A 23 -2.703 -10.673 5.336 1.00 0.00 N ATOM 370 CA ALA A 23 -2.734 -9.579 4.372 1.00 0.00 C ATOM 371 C ALA A 23 -2.749 -8.225 5.073 1.00 0.00 C ATOM 372 O ALA A 23 -2.109 -7.274 4.623 1.00 0.00 O ATOM 373 CB ALA A 23 -3.945 -9.716 3.462 1.00 0.00 C ATOM 0 H ALA A 23 -3.425 -10.622 6.055 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.828 -9.634 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.957 -8.894 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.891 -10.663 2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.855 -9.689 4.061 1.00 0.00 H new ATOM 379 N GLY A 24 -3.484 -8.142 6.179 1.00 0.00 N ATOM 380 CA GLY A 24 -3.569 -6.899 6.924 1.00 0.00 C ATOM 381 C GLY A 24 -2.205 -6.333 7.277 1.00 0.00 C ATOM 382 O GLY A 24 -2.053 -5.128 7.480 1.00 0.00 O ATOM 0 H GLY A 24 -4.022 -8.914 6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.121 -6.165 6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.136 -7.067 7.840 1.00 0.00 H new ATOM 386 N ILE A 25 -1.207 -7.206 7.347 1.00 0.00 N ATOM 387 CA ILE A 25 0.148 -6.787 7.674 1.00 0.00 C ATOM 388 C ILE A 25 0.760 -5.998 6.518 1.00 0.00 C ATOM 389 O ILE A 25 1.388 -4.955 6.725 1.00 0.00 O ATOM 390 CB ILE A 25 1.047 -8.001 8.011 1.00 0.00 C ATOM 391 CG1 ILE A 25 0.633 -8.617 9.351 1.00 0.00 C ATOM 392 CG2 ILE A 25 2.516 -7.595 8.049 1.00 0.00 C ATOM 393 CD1 ILE A 25 0.604 -7.623 10.493 1.00 0.00 C ATOM 0 H ILE A 25 -1.312 -8.207 7.182 1.00 0.00 H new ATOM 0 HA ILE A 25 0.090 -6.147 8.554 1.00 0.00 H new ATOM 0 HB ILE A 25 0.918 -8.747 7.227 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.355 -9.065 9.245 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.324 -9.423 9.599 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.128 -8.465 8.288 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.810 -7.201 7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.662 -6.829 8.810 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.302 -8.130 11.409 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.597 -7.193 10.626 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.108 -6.829 10.267 1.00 0.00 H new ATOM 405 N ALA A 26 0.577 -6.497 5.301 1.00 0.00 N ATOM 406 CA ALA A 26 1.122 -5.828 4.131 1.00 0.00 C ATOM 407 C ALA A 26 0.497 -4.456 3.933 1.00 0.00 C ATOM 408 O ALA A 26 1.204 -3.480 3.685 1.00 0.00 O ATOM 409 CB ALA A 26 0.941 -6.665 2.881 1.00 0.00 C ATOM 0 H ALA A 26 0.061 -7.354 5.102 1.00 0.00 H new ATOM 0 HA ALA A 26 2.190 -5.698 4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.359 -6.136 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.454 -7.619 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.121 -6.844 2.713 1.00 0.00 H new ATOM 415 N GLU A 27 -0.829 -4.372 4.048 1.00 0.00 N ATOM 416 CA GLU A 27 -1.505 -3.085 3.877 1.00 0.00 C ATOM 417 C GLU A 27 -0.932 -2.075 4.860 1.00 0.00 C ATOM 418 O GLU A 27 -0.835 -0.886 4.561 1.00 0.00 O ATOM 419 CB GLU A 27 -3.023 -3.187 4.060 1.00 0.00 C ATOM 420 CG GLU A 27 -3.433 -3.658 5.437 1.00 0.00 C ATOM 421 CD GLU A 27 -4.899 -4.034 5.514 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.359 -4.808 4.647 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.589 -3.556 6.439 1.00 0.00 O ATOM 0 H GLU A 27 -1.444 -5.159 4.254 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.328 -2.758 2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.470 -2.211 3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.426 -3.873 3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.826 -4.519 5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.225 -2.871 6.162 1.00 0.00 H new ATOM 430 N LYS A 28 -0.531 -2.567 6.033 1.00 0.00 N ATOM 431 CA LYS A 28 0.057 -1.708 7.050 1.00 0.00 C ATOM 432 C LYS A 28 1.360 -1.111 6.535 1.00 0.00 C ATOM 433 O LYS A 28 1.694 0.030 6.848 1.00 0.00 O ATOM 434 CB LYS A 28 0.310 -2.490 8.340 1.00 0.00 C ATOM 435 CG LYS A 28 -0.949 -3.100 8.935 1.00 0.00 C ATOM 436 CD LYS A 28 -1.408 -2.345 10.173 1.00 0.00 C ATOM 437 CE LYS A 28 -2.874 -1.954 10.076 1.00 0.00 C ATOM 438 NZ LYS A 28 -3.753 -2.905 10.812 1.00 0.00 N ATOM 0 H LYS A 28 -0.604 -3.550 6.297 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.644 -0.902 7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.029 -3.284 8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.765 -1.826 9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.744 -3.094 8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.762 -4.142 9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.253 -2.965 11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.799 -1.450 10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.009 -0.950 10.478 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.172 -1.921 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.744 -2.603 10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.644 -3.859 10.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.486 -2.918 11.817 1.00 0.00 H new ATOM 452 N TYR A 29 2.084 -1.887 5.730 1.00 0.00 N ATOM 453 CA TYR A 29 3.345 -1.423 5.150 1.00 0.00 C ATOM 454 C TYR A 29 3.100 -0.668 3.878 1.00 0.00 C ATOM 455 O TYR A 29 3.773 0.314 3.562 1.00 0.00 O ATOM 456 CB TYR A 29 4.263 -2.585 4.825 1.00 0.00 C ATOM 457 CG TYR A 29 5.324 -2.757 5.881 1.00 0.00 C ATOM 458 CD1 TYR A 29 5.980 -1.636 6.368 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.669 -3.997 6.399 1.00 0.00 C ATOM 460 CE1 TYR A 29 6.944 -1.729 7.332 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.640 -4.108 7.374 1.00 0.00 C ATOM 462 CZ TYR A 29 7.274 -2.970 7.838 1.00 0.00 C ATOM 463 OH TYR A 29 8.247 -3.072 8.811 1.00 0.00 O ATOM 0 H TYR A 29 1.821 -2.836 5.465 1.00 0.00 H new ATOM 0 HA TYR A 29 3.813 -0.777 5.893 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.678 -3.501 4.742 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.735 -2.419 3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.722 -0.664 5.975 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.173 -4.885 6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.442 -0.842 7.694 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.903 -5.077 7.772 1.00 0.00 H new ATOM 0 HH TYR A 29 8.361 -4.012 9.062 1.00 0.00 H new ATOM 473 N PHE A 30 2.118 -1.141 3.162 1.00 0.00 N ATOM 474 CA PHE A 30 1.727 -0.551 1.920 1.00 0.00 C ATOM 475 C PHE A 30 1.249 0.854 2.212 1.00 0.00 C ATOM 476 O PHE A 30 1.571 1.800 1.499 1.00 0.00 O ATOM 477 CB PHE A 30 0.633 -1.414 1.296 1.00 0.00 C ATOM 478 CG PHE A 30 1.113 -2.773 0.833 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.452 -3.033 0.586 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.205 -3.775 0.600 1.00 0.00 C ATOM 481 CE1 PHE A 30 2.862 -4.260 0.115 1.00 0.00 C ATOM 482 CE2 PHE A 30 0.604 -5.006 0.118 1.00 0.00 C ATOM 483 CZ PHE A 30 1.938 -5.244 -0.127 1.00 0.00 C ATOM 0 H PHE A 30 1.564 -1.954 3.430 1.00 0.00 H new ATOM 0 HA PHE A 30 2.552 -0.498 1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.167 -1.551 2.023 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.205 -0.882 0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.185 -2.261 0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.842 -3.597 0.797 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.910 -4.447 -0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.127 -5.779 -0.066 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.256 -6.203 -0.509 1.00 0.00 H new ATOM 493 N LYS A 31 0.526 0.977 3.320 1.00 0.00 N ATOM 494 CA LYS A 31 0.050 2.262 3.778 1.00 0.00 C ATOM 495 C LYS A 31 1.186 2.971 4.509 1.00 0.00 C ATOM 496 O LYS A 31 1.190 4.195 4.632 1.00 0.00 O ATOM 497 CB LYS A 31 -1.169 2.099 4.695 1.00 0.00 C ATOM 498 CG LYS A 31 -0.839 1.547 6.075 1.00 0.00 C ATOM 499 CD LYS A 31 -2.089 1.077 6.800 1.00 0.00 C ATOM 500 CE LYS A 31 -3.073 2.216 7.010 1.00 0.00 C ATOM 501 NZ LYS A 31 -4.398 1.726 7.480 1.00 0.00 N ATOM 0 H LYS A 31 0.260 0.193 3.915 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.265 2.860 2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.656 3.067 4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.887 1.436 4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.139 0.717 5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.342 2.316 6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.567 0.283 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.813 0.651 7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.666 2.917 7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.199 2.764 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.040 2.533 7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.798 1.076 6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.282 1.225 8.384 1.00 0.00 H new ATOM 515 N LEU A 32 2.170 2.186 4.978 1.00 0.00 N ATOM 516 CA LEU A 32 3.321 2.761 5.676 1.00 0.00 C ATOM 517 C LEU A 32 4.154 3.593 4.707 1.00 0.00 C ATOM 518 O LEU A 32 4.548 4.716 5.020 1.00 0.00 O ATOM 519 CB LEU A 32 4.182 1.678 6.340 1.00 0.00 C ATOM 520 CG LEU A 32 4.867 2.115 7.636 1.00 0.00 C ATOM 521 CD1 LEU A 32 3.840 2.328 8.737 1.00 0.00 C ATOM 522 CD2 LEU A 32 5.899 1.085 8.062 1.00 0.00 C ATOM 0 H LEU A 32 2.189 1.170 4.887 1.00 0.00 H new ATOM 0 HA LEU A 32 2.946 3.407 6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.555 0.812 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.945 1.354 5.632 1.00 0.00 H new ATOM 0 HG LEU A 32 5.377 3.061 7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.346 2.638 9.651 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.135 3.101 8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.302 1.397 8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.378 1.410 8.986 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.409 0.125 8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.652 0.980 7.281 1.00 0.00 H new ATOM 534 N ILE A 33 4.400 3.048 3.516 1.00 0.00 N ATOM 535 CA ILE A 33 5.164 3.761 2.507 1.00 0.00 C ATOM 536 C ILE A 33 4.246 4.612 1.635 1.00 0.00 C ATOM 537 O ILE A 33 4.619 5.708 1.219 1.00 0.00 O ATOM 538 CB ILE A 33 5.977 2.807 1.608 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.836 3.606 0.621 1.00 0.00 C ATOM 540 CG2 ILE A 33 5.052 1.855 0.863 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.488 4.832 1.231 1.00 0.00 C ATOM 0 H ILE A 33 4.082 2.121 3.233 1.00 0.00 H new ATOM 0 HA ILE A 33 5.863 4.403 3.042 1.00 0.00 H new ATOM 0 HB ILE A 33 6.638 2.215 2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.612 2.955 0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.214 3.916 -0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.644 1.190 0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.483 1.264 1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.366 2.428 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.079 5.345 0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.717 5.505 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.137 4.528 2.052 1.00 0.00 H new ATOM 553 N ALA A 34 3.039 4.117 1.368 1.00 0.00 N ATOM 554 CA ALA A 34 2.085 4.860 0.558 1.00 0.00 C ATOM 555 C ALA A 34 1.776 6.199 1.212 1.00 0.00 C ATOM 556 O ALA A 34 1.497 7.185 0.532 1.00 0.00 O ATOM 557 CB ALA A 34 0.813 4.055 0.357 1.00 0.00 C ATOM 0 H ALA A 34 2.703 3.212 1.699 1.00 0.00 H new ATOM 0 HA ALA A 34 2.527 5.044 -0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.112 4.627 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.051 3.119 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.361 3.840 1.326 1.00 0.00 H new ATOM 563 N ASN A 35 1.846 6.226 2.541 1.00 0.00 N ATOM 564 CA ASN A 35 1.594 7.446 3.295 1.00 0.00 C ATOM 565 C ASN A 35 2.882 8.247 3.438 1.00 0.00 C ATOM 566 O ASN A 35 2.862 9.477 3.474 1.00 0.00 O ATOM 567 CB ASN A 35 1.027 7.114 4.676 1.00 0.00 C ATOM 568 CG ASN A 35 0.404 8.321 5.351 1.00 0.00 C ATOM 569 OD1 ASN A 35 0.716 9.464 5.017 1.00 0.00 O ATOM 570 ND2 ASN A 35 -0.481 8.072 6.310 1.00 0.00 N ATOM 0 H ASN A 35 2.075 5.415 3.116 1.00 0.00 H new ATOM 0 HA ASN A 35 0.862 8.044 2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.278 6.328 4.579 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.823 6.719 5.307 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.931 8.844 6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.710 7.109 6.555 1.00 0.00 H new ATOM 577 N ALA A 36 4.006 7.535 3.506 1.00 0.00 N ATOM 578 CA ALA A 36 5.308 8.174 3.631 1.00 0.00 C ATOM 579 C ALA A 36 5.754 8.760 2.295 1.00 0.00 C ATOM 580 O ALA A 36 6.497 9.740 2.252 1.00 0.00 O ATOM 581 CB ALA A 36 6.337 7.179 4.146 1.00 0.00 C ATOM 0 H ALA A 36 4.038 6.516 3.476 1.00 0.00 H new ATOM 0 HA ALA A 36 5.222 8.990 4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.306 7.671 4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.027 6.808 5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.416 6.344 3.450 1.00 0.00 H new ATOM 587 N LYS A 37 5.288 8.156 1.205 1.00 0.00 N ATOM 588 CA LYS A 37 5.636 8.629 -0.136 1.00 0.00 C ATOM 589 C LYS A 37 4.612 9.649 -0.625 1.00 0.00 C ATOM 590 O LYS A 37 4.970 10.721 -1.114 1.00 0.00 O ATOM 591 CB LYS A 37 5.729 7.472 -1.143 1.00 0.00 C ATOM 592 CG LYS A 37 7.033 6.696 -1.059 1.00 0.00 C ATOM 593 CD LYS A 37 7.927 6.973 -2.259 1.00 0.00 C ATOM 594 CE LYS A 37 9.397 6.980 -1.871 1.00 0.00 C ATOM 595 NZ LYS A 37 10.133 5.827 -2.461 1.00 0.00 N ATOM 0 H LYS A 37 4.672 7.343 1.221 1.00 0.00 H new ATOM 0 HA LYS A 37 6.617 9.100 -0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.897 6.788 -0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.617 7.869 -2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.559 6.965 -0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.819 5.629 -1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.755 6.216 -3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.661 7.935 -2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.856 7.912 -2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.486 6.950 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.131 5.868 -2.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.712 4.938 -2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.070 5.869 -3.498 1.00 0.00 H new ATOM 609 N THR A 38 3.334 9.302 -0.493 1.00 0.00 N ATOM 610 CA THR A 38 2.247 10.176 -0.920 1.00 0.00 C ATOM 611 C THR A 38 0.993 9.922 -0.079 1.00 0.00 C ATOM 612 O THR A 38 1.093 9.525 1.082 1.00 0.00 O ATOM 613 CB THR A 38 1.952 9.955 -2.407 1.00 0.00 C ATOM 614 OG1 THR A 38 1.244 8.745 -2.604 1.00 0.00 O ATOM 615 CG2 THR A 38 3.200 9.902 -3.264 1.00 0.00 C ATOM 0 H THR A 38 3.026 8.417 -0.091 1.00 0.00 H new ATOM 0 HA THR A 38 2.551 11.213 -0.773 1.00 0.00 H new ATOM 0 HB THR A 38 1.356 10.815 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.064 8.623 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.920 9.743 -4.305 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.744 10.842 -3.174 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.836 9.082 -2.930 1.00 0.00 H new ATOM 623 N VAL A 39 -0.185 10.147 -0.660 1.00 0.00 N ATOM 624 CA VAL A 39 -1.438 9.930 0.056 1.00 0.00 C ATOM 625 C VAL A 39 -2.643 10.093 -0.882 1.00 0.00 C ATOM 626 O VAL A 39 -2.474 10.400 -2.062 1.00 0.00 O ATOM 627 CB VAL A 39 -1.563 10.899 1.258 1.00 0.00 C ATOM 628 CG1 VAL A 39 -2.065 12.268 0.816 1.00 0.00 C ATOM 629 CG2 VAL A 39 -2.467 10.311 2.331 1.00 0.00 C ATOM 0 H VAL A 39 -0.296 10.477 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.430 8.908 0.434 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.569 11.033 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.142 12.925 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.367 12.697 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.046 12.164 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.541 11.008 3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.459 10.136 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.049 9.367 2.682 1.00 0.00 H new ATOM 639 N GLU A 40 -3.856 9.891 -0.358 1.00 0.00 N ATOM 640 CA GLU A 40 -5.067 10.019 -1.158 1.00 0.00 C ATOM 641 C GLU A 40 -5.094 9.000 -2.287 1.00 0.00 C ATOM 642 O GLU A 40 -4.094 8.780 -2.971 1.00 0.00 O ATOM 643 CB GLU A 40 -5.186 11.431 -1.732 1.00 0.00 C ATOM 644 CG GLU A 40 -6.441 11.646 -2.562 1.00 0.00 C ATOM 645 CD GLU A 40 -7.138 12.954 -2.238 1.00 0.00 C ATOM 646 OE1 GLU A 40 -7.903 12.990 -1.252 1.00 0.00 O ATOM 647 OE2 GLU A 40 -6.918 13.941 -2.971 1.00 0.00 O ATOM 0 H GLU A 40 -4.020 9.639 0.617 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.916 9.828 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.175 12.150 -0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.312 11.638 -2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.179 11.630 -3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.131 10.819 -2.392 1.00 0.00 H new ATOM 654 N GLY A 41 -6.251 8.386 -2.472 1.00 0.00 N ATOM 655 CA GLY A 41 -6.404 7.388 -3.524 1.00 0.00 C ATOM 656 C GLY A 41 -7.300 6.237 -3.115 1.00 0.00 C ATOM 657 O GLY A 41 -7.470 5.965 -1.926 1.00 0.00 O ATOM 0 H GLY A 41 -7.090 8.556 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.816 7.865 -4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.422 7.000 -3.796 1.00 0.00 H new ATOM 661 N VAL A 42 -7.869 5.551 -4.104 1.00 0.00 N ATOM 662 CA VAL A 42 -8.742 4.415 -3.837 1.00 0.00 C ATOM 663 C VAL A 42 -7.916 3.181 -3.505 1.00 0.00 C ATOM 664 O VAL A 42 -7.289 2.581 -4.377 1.00 0.00 O ATOM 665 CB VAL A 42 -9.665 4.104 -5.029 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.616 5.262 -5.276 1.00 0.00 C ATOM 667 CG2 VAL A 42 -8.853 3.793 -6.277 1.00 0.00 C ATOM 0 H VAL A 42 -7.741 5.763 -5.094 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.367 4.684 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.255 3.220 -4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.262 5.028 -6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.226 5.428 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.043 6.163 -5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.528 3.577 -7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.231 4.652 -6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.217 2.927 -6.091 1.00 0.00 H new ATOM 677 N TRP A 43 -7.907 2.826 -2.229 1.00 0.00 N ATOM 678 CA TRP A 43 -7.152 1.693 -1.748 1.00 0.00 C ATOM 679 C TRP A 43 -7.886 0.380 -2.008 1.00 0.00 C ATOM 680 O TRP A 43 -9.033 0.205 -1.597 1.00 0.00 O ATOM 681 CB TRP A 43 -6.912 1.888 -0.259 1.00 0.00 C ATOM 682 CG TRP A 43 -5.565 2.476 0.061 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.260 3.810 0.168 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.338 1.767 0.301 1.00 0.00 C ATOM 685 NE1 TRP A 43 -3.931 3.966 0.469 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.346 2.732 0.556 1.00 0.00 C ATOM 687 CE3 TRP A 43 -3.975 0.414 0.332 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -2.028 2.387 0.834 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -2.661 0.088 0.609 1.00 0.00 C ATOM 690 CH2 TRP A 43 -1.710 1.068 0.857 1.00 0.00 C ATOM 0 H TRP A 43 -8.425 3.320 -1.502 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.203 1.634 -2.281 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.688 2.539 0.144 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.009 0.927 0.245 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.964 4.618 0.035 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.455 4.858 0.606 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.707 -0.358 0.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.282 3.144 1.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.368 -0.951 0.633 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.694 0.774 1.073 1.00 0.00 H new ATOM 701 N THR A 44 -7.211 -0.540 -2.692 1.00 0.00 N ATOM 702 CA THR A 44 -7.792 -1.840 -3.009 1.00 0.00 C ATOM 703 C THR A 44 -6.718 -2.924 -3.023 1.00 0.00 C ATOM 704 O THR A 44 -5.528 -2.631 -3.143 1.00 0.00 O ATOM 705 CB THR A 44 -8.502 -1.790 -4.362 1.00 0.00 C ATOM 706 OG1 THR A 44 -7.747 -1.040 -5.297 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.884 -1.175 -4.290 1.00 0.00 C ATOM 0 H THR A 44 -6.260 -0.408 -3.037 1.00 0.00 H new ATOM 0 HA THR A 44 -8.520 -2.084 -2.236 1.00 0.00 H new ATOM 0 HB THR A 44 -8.600 -2.829 -4.676 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.217 -1.021 -6.157 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.332 -1.170 -5.284 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.508 -1.759 -3.613 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.808 -0.152 -3.921 1.00 0.00 H new ATOM 715 N TYR A 45 -7.145 -4.177 -2.903 1.00 0.00 N ATOM 716 CA TYR A 45 -6.214 -5.304 -2.906 1.00 0.00 C ATOM 717 C TYR A 45 -6.766 -6.463 -3.733 1.00 0.00 C ATOM 718 O TYR A 45 -7.951 -6.787 -3.656 1.00 0.00 O ATOM 719 CB TYR A 45 -5.909 -5.757 -1.468 1.00 0.00 C ATOM 720 CG TYR A 45 -5.370 -7.168 -1.358 1.00 0.00 C ATOM 721 CD1 TYR A 45 -4.031 -7.444 -1.606 1.00 0.00 C ATOM 722 CD2 TYR A 45 -6.203 -8.222 -1.002 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.538 -8.731 -1.502 1.00 0.00 C ATOM 724 CE2 TYR A 45 -5.716 -9.511 -0.895 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.384 -9.760 -1.147 1.00 0.00 C ATOM 726 OH TYR A 45 -3.896 -11.042 -1.041 1.00 0.00 O ATOM 0 H TYR A 45 -8.126 -4.439 -2.803 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.282 -4.975 -3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.186 -5.070 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.821 -5.682 -0.875 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.365 -6.640 -1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.248 -8.031 -0.806 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.495 -8.930 -1.698 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.376 -10.319 -0.615 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.621 -11.648 -0.781 1.00 0.00 H new ATOM 736 N LYS A 46 -5.894 -7.083 -4.522 1.00 0.00 N ATOM 737 CA LYS A 46 -6.285 -8.206 -5.365 1.00 0.00 C ATOM 738 C LYS A 46 -5.835 -9.529 -4.753 1.00 0.00 C ATOM 739 O LYS A 46 -4.709 -9.649 -4.271 1.00 0.00 O ATOM 740 CB LYS A 46 -5.691 -8.050 -6.766 1.00 0.00 C ATOM 741 CG LYS A 46 -5.944 -6.686 -7.385 1.00 0.00 C ATOM 742 CD LYS A 46 -5.072 -6.460 -8.609 1.00 0.00 C ATOM 743 CE LYS A 46 -5.470 -5.194 -9.349 1.00 0.00 C ATOM 744 NZ LYS A 46 -5.214 -3.972 -8.537 1.00 0.00 N ATOM 0 H LYS A 46 -4.910 -6.825 -4.595 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.373 -8.212 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.616 -8.224 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.109 -8.818 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.994 -6.601 -7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.746 -5.908 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.027 -6.392 -8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.154 -7.316 -9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.915 -5.131 -10.285 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.528 -5.242 -9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.435 -3.127 -9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.814 -3.987 -7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.214 -3.947 -8.254 1.00 0.00 H new ATOM 758 N ASP A 47 -6.721 -10.517 -4.776 1.00 0.00 N ATOM 759 CA ASP A 47 -6.415 -11.833 -4.224 1.00 0.00 C ATOM 760 C ASP A 47 -5.824 -12.748 -5.293 1.00 0.00 C ATOM 761 O ASP A 47 -5.078 -13.668 -4.985 1.00 0.00 O ATOM 762 CB ASP A 47 -7.676 -12.471 -3.637 1.00 0.00 C ATOM 763 CG ASP A 47 -7.397 -13.815 -2.993 1.00 0.00 C ATOM 764 OD1 ASP A 47 -6.870 -13.832 -1.861 1.00 0.00 O ATOM 765 OD2 ASP A 47 -7.708 -14.845 -3.619 1.00 0.00 O ATOM 0 H ASP A 47 -7.658 -10.433 -5.171 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.678 -11.702 -3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.109 -11.799 -2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.418 -12.596 -4.426 1.00 0.00 H new ATOM 770 N GLU A 48 -6.171 -12.478 -6.548 1.00 0.00 N ATOM 771 CA GLU A 48 -5.683 -13.273 -7.673 1.00 0.00 C ATOM 772 C GLU A 48 -4.185 -13.530 -7.562 1.00 0.00 C ATOM 773 O GLU A 48 -3.699 -14.579 -7.987 1.00 0.00 O ATOM 774 CB GLU A 48 -5.989 -12.564 -8.993 1.00 0.00 C ATOM 775 CG GLU A 48 -7.473 -12.493 -9.317 1.00 0.00 C ATOM 776 CD GLU A 48 -7.788 -12.963 -10.722 1.00 0.00 C ATOM 777 OE1 GLU A 48 -7.132 -12.485 -11.671 1.00 0.00 O ATOM 778 OE2 GLU A 48 -8.693 -13.808 -10.874 1.00 0.00 O ATOM 0 H GLU A 48 -6.790 -11.712 -6.813 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.197 -14.234 -7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.585 -11.552 -8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.474 -13.082 -9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.026 -13.102 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.818 -11.466 -9.196 1.00 0.00 H new ATOM 785 N ILE A 49 -3.454 -12.576 -6.993 1.00 0.00 N ATOM 786 CA ILE A 49 -2.009 -12.719 -6.835 1.00 0.00 C ATOM 787 C ILE A 49 -1.492 -11.926 -5.640 1.00 0.00 C ATOM 788 O ILE A 49 -0.314 -11.574 -5.582 1.00 0.00 O ATOM 789 CB ILE A 49 -1.256 -12.269 -8.103 1.00 0.00 C ATOM 790 CG1 ILE A 49 -1.516 -10.789 -8.387 1.00 0.00 C ATOM 791 CG2 ILE A 49 -1.663 -13.122 -9.294 1.00 0.00 C ATOM 792 CD1 ILE A 49 -2.937 -10.490 -8.817 1.00 0.00 C ATOM 0 H ILE A 49 -3.835 -11.700 -6.635 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.821 -13.779 -6.664 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.187 -12.402 -7.934 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.288 -10.211 -7.491 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.832 -10.452 -9.166 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.122 -12.791 -10.181 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.424 -14.166 -9.092 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.735 -13.021 -9.464 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.044 -9.421 -9.000 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.164 -11.039 -9.731 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.627 -10.794 -8.030 1.00 0.00 H new ATOM 804 N LYS A 50 -2.377 -11.643 -4.687 1.00 0.00 N ATOM 805 CA LYS A 50 -2.003 -10.887 -3.493 1.00 0.00 C ATOM 806 C LYS A 50 -1.239 -9.617 -3.862 1.00 0.00 C ATOM 807 O LYS A 50 -0.011 -9.569 -3.771 1.00 0.00 O ATOM 808 CB LYS A 50 -1.153 -11.753 -2.560 1.00 0.00 C ATOM 809 CG LYS A 50 -1.650 -13.179 -2.440 1.00 0.00 C ATOM 810 CD LYS A 50 -1.868 -13.585 -0.990 1.00 0.00 C ATOM 811 CE LYS A 50 -2.855 -14.735 -0.873 1.00 0.00 C ATOM 812 NZ LYS A 50 -2.302 -15.998 -1.421 1.00 0.00 N ATOM 0 H LYS A 50 -3.357 -11.925 -4.718 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.920 -10.599 -2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.125 -11.764 -2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.136 -11.298 -1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.585 -13.285 -2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.930 -13.854 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.916 -13.875 -0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.236 -12.730 -0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.121 -14.880 0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.773 -14.481 -1.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.965 -16.394 -2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.390 -15.806 -1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.163 -16.680 -0.648 1.00 0.00 H new ATOM 826 N THR A 51 -1.971 -8.591 -4.283 1.00 0.00 N ATOM 827 CA THR A 51 -1.354 -7.329 -4.669 1.00 0.00 C ATOM 828 C THR A 51 -2.244 -6.142 -4.314 1.00 0.00 C ATOM 829 O THR A 51 -3.389 -6.055 -4.756 1.00 0.00 O ATOM 830 CB THR A 51 -1.052 -7.330 -6.170 1.00 0.00 C ATOM 831 OG1 THR A 51 -0.092 -8.322 -6.487 1.00 0.00 O ATOM 832 CG2 THR A 51 -0.528 -6.005 -6.685 1.00 0.00 C ATOM 0 H THR A 51 -2.988 -8.609 -4.365 1.00 0.00 H new ATOM 0 HA THR A 51 -0.422 -7.227 -4.113 1.00 0.00 H new ATOM 0 HB THR A 51 -2.008 -7.532 -6.652 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.087 -8.308 -7.450 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.336 -6.081 -7.755 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.268 -5.226 -6.503 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.398 -5.754 -6.168 1.00 0.00 H new ATOM 840 N PHE A 52 -1.697 -5.223 -3.527 1.00 0.00 N ATOM 841 CA PHE A 52 -2.424 -4.027 -3.124 1.00 0.00 C ATOM 842 C PHE A 52 -2.187 -2.912 -4.132 1.00 0.00 C ATOM 843 O PHE A 52 -1.090 -2.768 -4.668 1.00 0.00 O ATOM 844 CB PHE A 52 -1.986 -3.587 -1.728 1.00 0.00 C ATOM 845 CG PHE A 52 -2.980 -3.909 -0.649 1.00 0.00 C ATOM 846 CD1 PHE A 52 -3.973 -3.004 -0.310 1.00 0.00 C ATOM 847 CD2 PHE A 52 -2.917 -5.116 0.029 1.00 0.00 C ATOM 848 CE1 PHE A 52 -4.887 -3.298 0.685 1.00 0.00 C ATOM 849 CE2 PHE A 52 -3.828 -5.416 1.025 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.814 -4.506 1.353 1.00 0.00 C ATOM 0 H PHE A 52 -0.749 -5.284 -3.155 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.490 -4.253 -3.095 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.036 -4.065 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.808 -2.512 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.034 -2.059 -0.829 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.148 -5.831 -0.223 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.657 -2.585 0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.769 -6.360 1.546 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.527 -4.738 2.130 1.00 0.00 H new ATOM 860 N THR A 53 -3.222 -2.137 -4.399 1.00 0.00 N ATOM 861 CA THR A 53 -3.119 -1.043 -5.365 1.00 0.00 C ATOM 862 C THR A 53 -3.941 0.173 -4.948 1.00 0.00 C ATOM 863 O THR A 53 -5.053 0.041 -4.437 1.00 0.00 O ATOM 864 CB THR A 53 -3.569 -1.521 -6.746 1.00 0.00 C ATOM 865 OG1 THR A 53 -2.849 -2.676 -7.137 1.00 0.00 O ATOM 866 CG2 THR A 53 -3.388 -0.478 -7.828 1.00 0.00 C ATOM 0 H THR A 53 -4.141 -2.238 -3.967 1.00 0.00 H new ATOM 0 HA THR A 53 -2.073 -0.738 -5.400 1.00 0.00 H new ATOM 0 HB THR A 53 -4.633 -1.736 -6.645 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.630 -2.618 -8.091 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.726 -0.881 -8.782 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.973 0.408 -7.581 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.334 -0.209 -7.901 1.00 0.00 H new ATOM 874 N VAL A 54 -3.394 1.361 -5.202 1.00 0.00 N ATOM 875 CA VAL A 54 -4.085 2.609 -4.888 1.00 0.00 C ATOM 876 C VAL A 54 -4.222 3.470 -6.145 1.00 0.00 C ATOM 877 O VAL A 54 -3.229 3.792 -6.798 1.00 0.00 O ATOM 878 CB VAL A 54 -3.379 3.410 -3.753 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.733 4.697 -4.275 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.382 3.742 -2.651 1.00 0.00 C ATOM 0 H VAL A 54 -2.474 1.485 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.077 2.345 -4.522 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.584 2.782 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.253 5.223 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.988 4.449 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.499 5.335 -4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.882 4.302 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.192 4.343 -3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.789 2.819 -2.239 1.00 0.00 H new ATOM 890 N THR A 55 -5.455 3.832 -6.485 1.00 0.00 N ATOM 891 CA THR A 55 -5.708 4.648 -7.668 1.00 0.00 C ATOM 892 C THR A 55 -6.035 6.087 -7.283 1.00 0.00 C ATOM 893 O THR A 55 -6.732 6.333 -6.300 1.00 0.00 O ATOM 894 CB THR A 55 -6.852 4.053 -8.493 1.00 0.00 C ATOM 895 OG1 THR A 55 -7.114 2.718 -8.101 1.00 0.00 O ATOM 896 CG2 THR A 55 -6.577 4.048 -9.981 1.00 0.00 C ATOM 0 H THR A 55 -6.291 3.575 -5.961 1.00 0.00 H new ATOM 0 HA THR A 55 -4.800 4.653 -8.272 1.00 0.00 H new ATOM 0 HB THR A 55 -7.710 4.696 -8.300 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.849 2.357 -8.639 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.427 3.613 -10.507 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.421 5.070 -10.326 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.684 3.457 -10.184 1.00 0.00 H new ATOM 904 N GLU A 56 -5.523 7.033 -8.069 1.00 0.00 N ATOM 905 CA GLU A 56 -5.753 8.456 -7.822 1.00 0.00 C ATOM 906 C GLU A 56 -5.574 8.802 -6.345 1.00 0.00 C ATOM 907 O GLU A 56 -4.819 8.081 -5.658 1.00 0.00 O ATOM 908 CB GLU A 56 -7.155 8.858 -8.289 1.00 0.00 C ATOM 909 CG GLU A 56 -8.276 8.224 -7.482 1.00 0.00 C ATOM 910 CD GLU A 56 -9.636 8.804 -7.818 1.00 0.00 C ATOM 911 OE1 GLU A 56 -9.917 8.998 -9.019 1.00 0.00 O ATOM 912 OE2 GLU A 56 -10.419 9.064 -6.880 1.00 0.00 O ATOM 913 OXT GLU A 56 -6.189 9.788 -5.888 1.00 0.00 O ATOM 0 H GLU A 56 -4.944 6.839 -8.886 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.012 9.016 -8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.249 9.943 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.272 8.581 -9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.288 7.150 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.078 8.364 -6.419 1.00 0.00 H new TER 920 GLU A 56