USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 740 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 SER OG : rot -146:sc= 1.15 USER MOD Set 1.2: A 48 THR OG1 : rot -34:sc= 0.184 USER MOD Set 1.3: A 105 GLN : amide:sc= -0.25 K(o=1.1,f=-4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -2.65 F(o=-5.8!,f=-2.6) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -90:sc= -0.0317 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.1) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc=-0.00126 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.45) USER MOD Single : A 69 TYR OH : rot 160:sc= -0.738 USER MOD Single : A 73 SER OG : rot -25:sc= 0.479 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 76 LYS NZ :NH3+ 170:sc=-0.000132 (180deg=-0.101) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -2.94! K(o=-2.9!,f=-3.7) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -3.21! C(o=-3.2!,f=-9.9!) USER MOD Single : A 108 MET CE :methyl -145:sc= -3.42! (180deg=-5.59!) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -0.954 F(o=-1.9,f=-0.95) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -159:sc= -0.0711 (180deg=-0.409) USER MOD Single : A 121 SER OG : rot 45:sc= 0.654 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 30 -6.303 28.818 -7.467 1.00 0.00 N ATOM 2 CA GLY A 30 -6.970 29.890 -6.751 1.00 0.00 C ATOM 3 C GLY A 30 -7.542 29.433 -5.424 1.00 0.00 C ATOM 4 O GLY A 30 -8.706 29.695 -5.120 1.00 0.00 O ATOM 0 HA2 GLY A 30 -6.264 30.702 -6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.772 30.292 -7.370 1.00 0.00 H new ATOM 8 N SER A 31 -6.724 28.747 -4.633 1.00 0.00 N ATOM 9 CA SER A 31 -7.158 28.248 -3.333 1.00 0.00 C ATOM 10 C SER A 31 -6.037 28.366 -2.305 1.00 0.00 C ATOM 11 O SER A 31 -4.860 28.215 -2.632 1.00 0.00 O ATOM 12 CB SER A 31 -7.608 26.790 -3.448 1.00 0.00 C ATOM 13 OG SER A 31 -6.496 25.922 -3.585 1.00 0.00 O ATOM 0 H SER A 31 -5.757 28.524 -4.869 1.00 0.00 H new ATOM 0 HA SER A 31 -7.999 28.856 -3.000 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.183 26.513 -2.564 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.269 26.677 -4.307 1.00 0.00 H new ATOM 0 HG SER A 31 -6.810 24.996 -3.655 1.00 0.00 H new ATOM 19 N SER A 32 -6.413 28.637 -1.059 1.00 0.00 N ATOM 20 CA SER A 32 -5.441 28.780 0.019 1.00 0.00 C ATOM 21 C SER A 32 -4.411 27.656 -0.026 1.00 0.00 C ATOM 22 O SER A 32 -3.209 27.895 0.079 1.00 0.00 O ATOM 23 CB SER A 32 -6.148 28.785 1.375 1.00 0.00 C ATOM 24 OG SER A 32 -5.311 29.321 2.385 1.00 0.00 O ATOM 0 H SER A 32 -7.384 28.762 -0.771 1.00 0.00 H new ATOM 0 HA SER A 32 -4.923 29.730 -0.116 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.064 29.372 1.309 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.439 27.769 1.641 1.00 0.00 H new ATOM 0 HG SER A 32 -5.787 29.315 3.242 1.00 0.00 H new ATOM 30 N GLY A 33 -4.892 26.427 -0.184 1.00 0.00 N ATOM 31 CA GLY A 33 -4.001 25.282 -0.240 1.00 0.00 C ATOM 32 C GLY A 33 -2.731 25.574 -1.014 1.00 0.00 C ATOM 33 O GLY A 33 -2.738 26.366 -1.956 1.00 0.00 O ATOM 0 H GLY A 33 -5.883 26.203 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.743 24.976 0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.521 24.443 -0.703 1.00 0.00 H new ATOM 37 N SER A 34 -1.637 24.934 -0.615 1.00 0.00 N ATOM 38 CA SER A 34 -0.351 25.133 -1.275 1.00 0.00 C ATOM 39 C SER A 34 -0.086 24.028 -2.293 1.00 0.00 C ATOM 40 O SER A 34 -0.412 22.864 -2.060 1.00 0.00 O ATOM 41 CB SER A 34 0.776 25.172 -0.241 1.00 0.00 C ATOM 42 OG SER A 34 0.927 23.915 0.395 1.00 0.00 O ATOM 0 H SER A 34 -1.615 24.273 0.162 1.00 0.00 H new ATOM 0 HA SER A 34 -0.384 26.087 -1.801 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.711 25.452 -0.727 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.563 25.938 0.505 1.00 0.00 H new ATOM 0 HG SER A 34 1.654 23.965 1.050 1.00 0.00 H new ATOM 48 N SER A 35 0.508 24.401 -3.421 1.00 0.00 N ATOM 49 CA SER A 35 0.815 23.444 -4.477 1.00 0.00 C ATOM 50 C SER A 35 1.847 22.424 -4.003 1.00 0.00 C ATOM 51 O SER A 35 3.041 22.568 -4.260 1.00 0.00 O ATOM 52 CB SER A 35 1.333 24.171 -5.719 1.00 0.00 C ATOM 53 OG SER A 35 1.091 23.413 -6.892 1.00 0.00 O ATOM 0 H SER A 35 0.787 25.360 -3.628 1.00 0.00 H new ATOM 0 HA SER A 35 -0.103 22.915 -4.731 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.848 25.143 -5.804 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.402 24.356 -5.616 1.00 0.00 H new ATOM 0 HG SER A 35 1.430 23.900 -7.672 1.00 0.00 H new ATOM 59 N GLY A 36 1.375 21.393 -3.308 1.00 0.00 N ATOM 60 CA GLY A 36 2.268 20.364 -2.809 1.00 0.00 C ATOM 61 C GLY A 36 1.623 19.506 -1.739 1.00 0.00 C ATOM 62 O GLY A 36 2.267 19.138 -0.757 1.00 0.00 O ATOM 0 H GLY A 36 0.390 21.252 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.585 19.730 -3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.165 20.831 -2.404 1.00 0.00 H new ATOM 66 N SER A 37 0.346 19.187 -1.929 1.00 0.00 N ATOM 67 CA SER A 37 -0.388 18.371 -0.969 1.00 0.00 C ATOM 68 C SER A 37 -0.882 17.081 -1.619 1.00 0.00 C ATOM 69 O SER A 37 -1.703 17.109 -2.535 1.00 0.00 O ATOM 70 CB SER A 37 -1.573 19.155 -0.402 1.00 0.00 C ATOM 71 OG SER A 37 -1.158 20.415 0.097 1.00 0.00 O ATOM 0 H SER A 37 -0.201 19.481 -2.738 1.00 0.00 H new ATOM 0 HA SER A 37 0.290 18.112 -0.156 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.324 19.297 -1.179 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.044 18.581 0.396 1.00 0.00 H new ATOM 0 HG SER A 37 -1.933 20.898 0.452 1.00 0.00 H new ATOM 77 N GLY A 38 -0.374 15.951 -1.136 1.00 0.00 N ATOM 78 CA GLY A 38 -0.774 14.666 -1.680 1.00 0.00 C ATOM 79 C GLY A 38 -0.522 13.524 -0.716 1.00 0.00 C ATOM 80 O GLY A 38 -0.090 12.445 -1.122 1.00 0.00 O ATOM 0 H GLY A 38 0.307 15.902 -0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.834 14.696 -1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.230 14.482 -2.606 1.00 0.00 H new ATOM 84 N ARG A 39 -0.789 13.762 0.564 1.00 0.00 N ATOM 85 CA ARG A 39 -0.585 12.746 1.589 1.00 0.00 C ATOM 86 C ARG A 39 -1.676 11.681 1.523 1.00 0.00 C ATOM 87 O ARG A 39 -2.863 11.998 1.441 1.00 0.00 O ATOM 88 CB ARG A 39 -0.566 13.387 2.977 1.00 0.00 C ATOM 89 CG ARG A 39 0.345 12.677 3.964 1.00 0.00 C ATOM 90 CD ARG A 39 0.926 13.646 4.982 1.00 0.00 C ATOM 91 NE ARG A 39 0.095 13.746 6.179 1.00 0.00 N ATOM 92 CZ ARG A 39 -0.152 12.724 6.990 1.00 0.00 C ATOM 93 NH1 ARG A 39 0.367 11.531 6.736 1.00 0.00 N ATOM 94 NH2 ARG A 39 -0.918 12.895 8.060 1.00 0.00 N ATOM 0 H ARG A 39 -1.147 14.650 0.916 1.00 0.00 H new ATOM 0 HA ARG A 39 0.377 12.268 1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.247 14.425 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.580 13.399 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.214 11.897 4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.155 12.185 3.425 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.928 13.320 5.262 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.027 14.632 4.528 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.318 14.651 6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.958 11.396 5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.175 10.748 7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.318 13.812 8.260 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.107 12.109 8.682 1.00 0.00 H new ATOM 108 N LEU A 40 -1.266 10.418 1.559 1.00 0.00 N ATOM 109 CA LEU A 40 -2.208 9.306 1.504 1.00 0.00 C ATOM 110 C LEU A 40 -1.801 8.198 2.471 1.00 0.00 C ATOM 111 O LEU A 40 -0.642 7.784 2.505 1.00 0.00 O ATOM 112 CB LEU A 40 -2.289 8.751 0.080 1.00 0.00 C ATOM 113 CG LEU A 40 -2.735 9.737 -1.000 1.00 0.00 C ATOM 114 CD1 LEU A 40 -2.442 9.181 -2.384 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.216 10.055 -0.853 1.00 0.00 C ATOM 0 H LEU A 40 -0.287 10.138 1.626 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.189 9.678 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.308 8.363 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.978 7.906 0.079 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.171 10.662 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.766 9.896 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.371 9.005 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.978 8.242 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.516 10.758 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.797 9.138 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.398 10.497 0.127 1.00 0.00 H new ATOM 127 N PHE A 41 -2.762 7.721 3.254 1.00 0.00 N ATOM 128 CA PHE A 41 -2.505 6.661 4.221 1.00 0.00 C ATOM 129 C PHE A 41 -2.760 5.288 3.604 1.00 0.00 C ATOM 130 O PHE A 41 -3.831 5.032 3.054 1.00 0.00 O ATOM 131 CB PHE A 41 -3.383 6.847 5.460 1.00 0.00 C ATOM 132 CG PHE A 41 -3.320 5.691 6.418 1.00 0.00 C ATOM 133 CD1 PHE A 41 -2.101 5.215 6.871 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.482 5.082 6.865 1.00 0.00 C ATOM 135 CE1 PHE A 41 -2.040 4.152 7.753 1.00 0.00 C ATOM 136 CE2 PHE A 41 -4.427 4.019 7.747 1.00 0.00 C ATOM 137 CZ PHE A 41 -3.205 3.553 8.191 1.00 0.00 C ATOM 0 H PHE A 41 -3.727 8.052 3.238 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.457 6.719 4.515 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.078 7.756 5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.416 6.992 5.145 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.187 5.680 6.531 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.440 5.442 6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.083 3.791 8.099 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.339 3.553 8.089 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.160 2.722 8.879 1.00 0.00 H new ATOM 147 N VAL A 42 -1.768 4.409 3.701 1.00 0.00 N ATOM 148 CA VAL A 42 -1.884 3.063 3.153 1.00 0.00 C ATOM 149 C VAL A 42 -1.479 2.014 4.183 1.00 0.00 C ATOM 150 O VAL A 42 -0.571 2.235 4.985 1.00 0.00 O ATOM 151 CB VAL A 42 -1.014 2.892 1.894 1.00 0.00 C ATOM 152 CG1 VAL A 42 -1.354 1.591 1.182 1.00 0.00 C ATOM 153 CG2 VAL A 42 -1.189 4.081 0.961 1.00 0.00 C ATOM 0 H VAL A 42 -0.875 4.605 4.154 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.931 2.920 2.884 1.00 0.00 H new ATOM 0 HB VAL A 42 0.032 2.849 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.729 1.488 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.173 0.751 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.403 1.601 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.567 3.944 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.234 4.158 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.891 4.994 1.476 1.00 0.00 H new ATOM 163 N ARG A 43 -2.158 0.872 4.155 1.00 0.00 N ATOM 164 CA ARG A 43 -1.869 -0.212 5.087 1.00 0.00 C ATOM 165 C ARG A 43 -1.964 -1.567 4.392 1.00 0.00 C ATOM 166 O ARG A 43 -2.332 -1.650 3.221 1.00 0.00 O ATOM 167 CB ARG A 43 -2.836 -0.165 6.272 1.00 0.00 C ATOM 168 CG ARG A 43 -4.288 -0.390 5.882 1.00 0.00 C ATOM 169 CD ARG A 43 -5.218 -0.216 7.072 1.00 0.00 C ATOM 170 NE ARG A 43 -6.468 -0.951 6.903 1.00 0.00 N ATOM 171 CZ ARG A 43 -7.561 -0.719 7.621 1.00 0.00 C ATOM 172 NH1 ARG A 43 -7.557 0.224 8.553 1.00 0.00 N ATOM 173 NH2 ARG A 43 -8.660 -1.431 7.408 1.00 0.00 N ATOM 0 H ARG A 43 -2.912 0.673 3.497 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.850 -0.082 5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.543 -0.922 7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.747 0.803 6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.567 0.311 5.095 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.404 -1.393 5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.716 -0.558 7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.436 0.843 7.209 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.504 -1.683 6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.714 0.773 8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.397 0.401 9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.666 -2.158 6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.499 -1.252 7.960 1.00 0.00 H new ATOM 187 N ASN A 44 -1.629 -2.625 5.122 1.00 0.00 N ATOM 188 CA ASN A 44 -1.676 -3.977 4.575 1.00 0.00 C ATOM 189 C ASN A 44 -0.540 -4.200 3.581 1.00 0.00 C ATOM 190 O ASN A 44 -0.764 -4.654 2.458 1.00 0.00 O ATOM 191 CB ASN A 44 -3.022 -4.227 3.893 1.00 0.00 C ATOM 192 CG ASN A 44 -3.430 -5.687 3.938 1.00 0.00 C ATOM 193 OD1 ASN A 44 -3.306 -6.371 2.807 1.00 0.00 O flip ATOM 194 ND2 ASN A 44 -3.853 -6.193 4.978 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.322 -2.573 6.093 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.558 -4.681 5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.789 -3.623 4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.967 -3.900 2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.932 -5.629 5.824 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.125 -7.176 4.993 1.00 0.00 H new ATOM 201 N LEU A 45 0.678 -3.880 4.001 1.00 0.00 N ATOM 202 CA LEU A 45 1.850 -4.046 3.149 1.00 0.00 C ATOM 203 C LEU A 45 2.496 -5.410 3.371 1.00 0.00 C ATOM 204 O LEU A 45 2.680 -5.843 4.509 1.00 0.00 O ATOM 205 CB LEU A 45 2.867 -2.937 3.423 1.00 0.00 C ATOM 206 CG LEU A 45 2.719 -1.668 2.583 1.00 0.00 C ATOM 207 CD1 LEU A 45 2.971 -1.968 1.114 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.338 -1.059 2.776 1.00 0.00 C ATOM 0 H LEU A 45 0.880 -3.504 4.927 1.00 0.00 H new ATOM 0 HA LEU A 45 1.525 -3.983 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.800 -2.662 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.867 -3.341 3.262 1.00 0.00 H new ATOM 0 HG LEU A 45 3.463 -0.945 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.861 -1.053 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.981 -2.358 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.251 -2.709 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.250 -0.157 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.578 -1.777 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.195 -0.806 3.827 1.00 0.00 H new ATOM 220 N SER A 46 2.841 -6.081 2.277 1.00 0.00 N ATOM 221 CA SER A 46 3.465 -7.397 2.352 1.00 0.00 C ATOM 222 C SER A 46 4.909 -7.286 2.832 1.00 0.00 C ATOM 223 O SER A 46 5.695 -6.504 2.298 1.00 0.00 O ATOM 224 CB SER A 46 3.421 -8.085 0.986 1.00 0.00 C ATOM 225 OG SER A 46 4.523 -7.696 0.184 1.00 0.00 O ATOM 0 H SER A 46 2.699 -5.735 1.328 1.00 0.00 H new ATOM 0 HA SER A 46 2.906 -7.997 3.070 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.428 -9.167 1.120 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.490 -7.833 0.478 1.00 0.00 H new ATOM 0 HG SER A 46 4.247 -7.658 -0.755 1.00 0.00 H new ATOM 231 N TYR A 47 5.251 -8.076 3.844 1.00 0.00 N ATOM 232 CA TYR A 47 6.600 -8.066 4.400 1.00 0.00 C ATOM 233 C TYR A 47 7.640 -8.291 3.307 1.00 0.00 C ATOM 234 O TYR A 47 8.759 -7.782 3.383 1.00 0.00 O ATOM 235 CB TYR A 47 6.737 -9.140 5.480 1.00 0.00 C ATOM 236 CG TYR A 47 5.473 -9.359 6.280 1.00 0.00 C ATOM 237 CD1 TYR A 47 4.846 -8.302 6.930 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.904 -10.622 6.385 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.692 -8.498 7.663 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.749 -10.827 7.115 1.00 0.00 C ATOM 241 CZ TYR A 47 3.147 -9.762 7.752 1.00 0.00 C ATOM 242 OH TYR A 47 1.996 -9.961 8.479 1.00 0.00 O ATOM 0 H TYR A 47 4.613 -8.731 4.296 1.00 0.00 H new ATOM 0 HA TYR A 47 6.775 -7.087 4.847 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.028 -10.080 5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.543 -8.860 6.159 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.269 -7.311 6.861 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.373 -11.458 5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.219 -7.666 8.164 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.320 -11.816 7.186 1.00 0.00 H new ATOM 0 HH TYR A 47 1.744 -10.907 8.440 1.00 0.00 H new ATOM 252 N THR A 48 7.263 -9.059 2.289 1.00 0.00 N ATOM 253 CA THR A 48 8.162 -9.354 1.180 1.00 0.00 C ATOM 254 C THR A 48 8.438 -8.106 0.349 1.00 0.00 C ATOM 255 O THR A 48 9.445 -8.027 -0.355 1.00 0.00 O ATOM 256 CB THR A 48 7.583 -10.449 0.264 1.00 0.00 C ATOM 257 OG1 THR A 48 6.527 -9.909 -0.537 1.00 0.00 O ATOM 258 CG2 THR A 48 7.059 -11.618 1.084 1.00 0.00 C ATOM 0 H THR A 48 6.341 -9.488 2.210 1.00 0.00 H new ATOM 0 HA THR A 48 9.095 -9.711 1.616 1.00 0.00 H new ATOM 0 HB THR A 48 8.381 -10.810 -0.385 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.046 -9.225 -0.026 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.655 -12.379 0.416 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.873 -12.045 1.670 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.273 -11.269 1.754 1.00 0.00 H new ATOM 266 N SER A 49 7.538 -7.131 0.436 1.00 0.00 N ATOM 267 CA SER A 49 7.683 -5.887 -0.310 1.00 0.00 C ATOM 268 C SER A 49 8.799 -5.028 0.277 1.00 0.00 C ATOM 269 O SER A 49 9.079 -5.090 1.474 1.00 0.00 O ATOM 270 CB SER A 49 6.367 -5.108 -0.305 1.00 0.00 C ATOM 271 OG SER A 49 6.529 -3.830 -0.897 1.00 0.00 O ATOM 0 H SER A 49 6.700 -7.179 1.016 1.00 0.00 H new ATOM 0 HA SER A 49 7.944 -6.137 -1.338 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.606 -5.670 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.011 -4.996 0.719 1.00 0.00 H new ATOM 0 HG SER A 49 6.778 -3.179 -0.208 1.00 0.00 H new ATOM 277 N SER A 50 9.432 -4.228 -0.574 1.00 0.00 N ATOM 278 CA SER A 50 10.520 -3.358 -0.142 1.00 0.00 C ATOM 279 C SER A 50 10.223 -1.903 -0.489 1.00 0.00 C ATOM 280 O SER A 50 9.401 -1.617 -1.359 1.00 0.00 O ATOM 281 CB SER A 50 11.836 -3.791 -0.790 1.00 0.00 C ATOM 282 OG SER A 50 12.945 -3.199 -0.138 1.00 0.00 O ATOM 0 H SER A 50 9.210 -4.164 -1.568 1.00 0.00 H new ATOM 0 HA SER A 50 10.612 -3.443 0.941 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.924 -4.877 -0.751 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.836 -3.509 -1.843 1.00 0.00 H new ATOM 0 HG SER A 50 13.774 -3.493 -0.570 1.00 0.00 H new ATOM 288 N GLU A 51 10.899 -0.987 0.198 1.00 0.00 N ATOM 289 CA GLU A 51 10.707 0.439 -0.038 1.00 0.00 C ATOM 290 C GLU A 51 10.734 0.753 -1.531 1.00 0.00 C ATOM 291 O GLU A 51 10.051 1.664 -1.996 1.00 0.00 O ATOM 292 CB GLU A 51 11.787 1.248 0.684 1.00 0.00 C ATOM 293 CG GLU A 51 11.374 2.677 0.991 1.00 0.00 C ATOM 294 CD GLU A 51 12.537 3.535 1.450 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.366 3.038 2.241 1.00 0.00 O ATOM 296 OE2 GLU A 51 12.619 4.704 1.017 1.00 0.00 O ATOM 0 H GLU A 51 11.584 -1.207 0.921 1.00 0.00 H new ATOM 0 HA GLU A 51 9.730 0.717 0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.044 0.745 1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.688 1.263 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.929 3.122 0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.605 2.671 1.763 1.00 0.00 H new ATOM 303 N GLU A 52 11.530 -0.010 -2.275 1.00 0.00 N ATOM 304 CA GLU A 52 11.647 0.188 -3.715 1.00 0.00 C ATOM 305 C GLU A 52 10.363 -0.225 -4.428 1.00 0.00 C ATOM 306 O GLU A 52 9.716 0.590 -5.086 1.00 0.00 O ATOM 307 CB GLU A 52 12.829 -0.611 -4.267 1.00 0.00 C ATOM 308 CG GLU A 52 13.400 -0.043 -5.556 1.00 0.00 C ATOM 309 CD GLU A 52 14.289 1.162 -5.319 1.00 0.00 C ATOM 310 OE1 GLU A 52 14.854 1.275 -4.211 1.00 0.00 O ATOM 311 OE2 GLU A 52 14.420 1.993 -6.243 1.00 0.00 O ATOM 0 H GLU A 52 12.102 -0.769 -1.905 1.00 0.00 H new ATOM 0 HA GLU A 52 11.817 1.249 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.617 -0.645 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.512 -1.639 -4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.972 -0.817 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.582 0.239 -6.218 1.00 0.00 H new ATOM 318 N ASP A 53 10.000 -1.496 -4.292 1.00 0.00 N ATOM 319 CA ASP A 53 8.793 -2.018 -4.921 1.00 0.00 C ATOM 320 C ASP A 53 7.636 -1.034 -4.778 1.00 0.00 C ATOM 321 O ASP A 53 6.943 -0.730 -5.750 1.00 0.00 O ATOM 322 CB ASP A 53 8.413 -3.365 -4.305 1.00 0.00 C ATOM 323 CG ASP A 53 9.595 -4.307 -4.197 1.00 0.00 C ATOM 324 OD1 ASP A 53 10.509 -4.210 -5.042 1.00 0.00 O ATOM 325 OD2 ASP A 53 9.606 -5.143 -3.268 1.00 0.00 O ATOM 0 H ASP A 53 10.525 -2.184 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 53 8.998 -2.158 -5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.991 -3.201 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.635 -3.831 -4.910 1.00 0.00 H new ATOM 330 N LEU A 54 7.433 -0.541 -3.562 1.00 0.00 N ATOM 331 CA LEU A 54 6.359 0.409 -3.291 1.00 0.00 C ATOM 332 C LEU A 54 6.555 1.695 -4.087 1.00 0.00 C ATOM 333 O LEU A 54 5.684 2.098 -4.857 1.00 0.00 O ATOM 334 CB LEU A 54 6.297 0.725 -1.796 1.00 0.00 C ATOM 335 CG LEU A 54 5.665 -0.348 -0.908 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.857 -0.005 0.561 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.187 -0.506 -1.232 1.00 0.00 C ATOM 0 H LEU A 54 7.998 -0.783 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 54 5.418 -0.047 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.311 0.910 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.739 1.652 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 54 6.163 -1.297 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.401 -0.779 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.922 0.056 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.386 0.954 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.754 -1.274 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.674 0.441 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.073 -0.798 -2.276 1.00 0.00 H new ATOM 349 N GLU A 55 7.706 2.332 -3.898 1.00 0.00 N ATOM 350 CA GLU A 55 8.017 3.572 -4.600 1.00 0.00 C ATOM 351 C GLU A 55 7.513 3.522 -6.040 1.00 0.00 C ATOM 352 O GLU A 55 6.752 4.387 -6.474 1.00 0.00 O ATOM 353 CB GLU A 55 9.525 3.829 -4.584 1.00 0.00 C ATOM 354 CG GLU A 55 9.997 4.609 -3.369 1.00 0.00 C ATOM 355 CD GLU A 55 11.435 5.072 -3.495 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.346 4.255 -3.246 1.00 0.00 O ATOM 357 OE2 GLU A 55 11.650 6.252 -3.843 1.00 0.00 O ATOM 0 H GLU A 55 8.438 2.010 -3.265 1.00 0.00 H new ATOM 0 HA GLU A 55 7.512 4.389 -4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.048 2.873 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.801 4.375 -5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.352 5.476 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.897 3.986 -2.480 1.00 0.00 H new ATOM 364 N LYS A 56 7.945 2.504 -6.776 1.00 0.00 N ATOM 365 CA LYS A 56 7.539 2.340 -8.167 1.00 0.00 C ATOM 366 C LYS A 56 6.024 2.206 -8.280 1.00 0.00 C ATOM 367 O LYS A 56 5.371 2.989 -8.970 1.00 0.00 O ATOM 368 CB LYS A 56 8.217 1.110 -8.775 1.00 0.00 C ATOM 369 CG LYS A 56 9.664 1.347 -9.173 1.00 0.00 C ATOM 370 CD LYS A 56 10.552 1.538 -7.956 1.00 0.00 C ATOM 371 CE LYS A 56 11.962 1.948 -8.354 1.00 0.00 C ATOM 372 NZ LYS A 56 12.009 3.346 -8.866 1.00 0.00 N ATOM 0 H LYS A 56 8.576 1.780 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 56 7.849 3.228 -8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.176 0.291 -8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.655 0.793 -9.653 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.025 0.501 -9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.727 2.227 -9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.121 2.299 -7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.589 0.612 -7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.624 1.854 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.336 1.268 -9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.999 3.658 -8.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.568 3.386 -9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.493 3.972 -8.215 1.00 0.00 H new ATOM 386 N LEU A 57 5.470 1.210 -7.596 1.00 0.00 N ATOM 387 CA LEU A 57 4.031 0.974 -7.618 1.00 0.00 C ATOM 388 C LEU A 57 3.264 2.292 -7.671 1.00 0.00 C ATOM 389 O LEU A 57 2.581 2.586 -8.652 1.00 0.00 O ATOM 390 CB LEU A 57 3.606 0.173 -6.386 1.00 0.00 C ATOM 391 CG LEU A 57 2.101 0.071 -6.138 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.405 -0.562 -7.332 1.00 0.00 C ATOM 393 CD2 LEU A 57 1.822 -0.726 -4.872 1.00 0.00 C ATOM 0 H LEU A 57 5.996 0.553 -7.020 1.00 0.00 H new ATOM 0 HA LEU A 57 3.796 0.401 -8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.008 -0.836 -6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.069 0.623 -5.508 1.00 0.00 H new ATOM 0 HG LEU A 57 1.705 1.078 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.334 -0.626 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.576 0.048 -8.219 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.804 -1.563 -7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.746 -0.788 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.232 -1.730 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.288 -0.231 -4.020 1.00 0.00 H new ATOM 405 N PHE A 58 3.385 3.083 -6.610 1.00 0.00 N ATOM 406 CA PHE A 58 2.704 4.371 -6.536 1.00 0.00 C ATOM 407 C PHE A 58 3.260 5.341 -7.574 1.00 0.00 C ATOM 408 O PHE A 58 2.511 5.922 -8.359 1.00 0.00 O ATOM 409 CB PHE A 58 2.850 4.969 -5.134 1.00 0.00 C ATOM 410 CG PHE A 58 2.247 4.117 -4.054 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.878 4.117 -3.837 1.00 0.00 C ATOM 412 CD2 PHE A 58 3.048 3.316 -3.256 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.321 3.335 -2.843 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.497 2.532 -2.261 1.00 0.00 C ATOM 415 CZ PHE A 58 1.131 2.540 -2.055 1.00 0.00 C ATOM 0 H PHE A 58 3.948 2.855 -5.790 1.00 0.00 H new ATOM 0 HA PHE A 58 1.647 4.207 -6.746 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.908 5.118 -4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.379 5.952 -5.116 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.240 4.735 -4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.116 3.304 -3.414 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.747 3.345 -2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.133 1.914 -1.645 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.697 1.926 -1.280 1.00 0.00 H new ATOM 425 N SER A 59 4.578 5.510 -7.572 1.00 0.00 N ATOM 426 CA SER A 59 5.235 6.412 -8.511 1.00 0.00 C ATOM 427 C SER A 59 4.553 6.368 -9.874 1.00 0.00 C ATOM 428 O SER A 59 4.284 7.405 -10.480 1.00 0.00 O ATOM 429 CB SER A 59 6.713 6.044 -8.655 1.00 0.00 C ATOM 430 OG SER A 59 7.245 6.538 -9.872 1.00 0.00 O ATOM 0 H SER A 59 5.212 5.034 -6.931 1.00 0.00 H new ATOM 0 HA SER A 59 5.157 7.426 -8.118 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.276 6.452 -7.816 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.827 4.961 -8.618 1.00 0.00 H new ATOM 0 HG SER A 59 8.191 6.291 -9.940 1.00 0.00 H new ATOM 436 N ALA A 60 4.276 5.159 -10.352 1.00 0.00 N ATOM 437 CA ALA A 60 3.623 4.978 -11.642 1.00 0.00 C ATOM 438 C ALA A 60 2.522 6.012 -11.851 1.00 0.00 C ATOM 439 O ALA A 60 2.471 6.679 -12.885 1.00 0.00 O ATOM 440 CB ALA A 60 3.056 3.571 -11.754 1.00 0.00 C ATOM 0 H ALA A 60 4.494 4.290 -9.864 1.00 0.00 H new ATOM 0 HA ALA A 60 4.371 5.120 -12.422 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.571 3.450 -12.723 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.863 2.845 -11.659 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.327 3.408 -10.960 1.00 0.00 H new ATOM 446 N TYR A 61 1.643 6.140 -10.863 1.00 0.00 N ATOM 447 CA TYR A 61 0.541 7.092 -10.940 1.00 0.00 C ATOM 448 C TYR A 61 1.062 8.519 -11.083 1.00 0.00 C ATOM 449 O TYR A 61 0.514 9.319 -11.840 1.00 0.00 O ATOM 450 CB TYR A 61 -0.343 6.982 -9.696 1.00 0.00 C ATOM 451 CG TYR A 61 -1.091 5.671 -9.599 1.00 0.00 C ATOM 452 CD1 TYR A 61 -2.345 5.521 -10.180 1.00 0.00 C ATOM 453 CD2 TYR A 61 -0.546 4.585 -8.926 1.00 0.00 C ATOM 454 CE1 TYR A 61 -3.033 4.326 -10.094 1.00 0.00 C ATOM 455 CE2 TYR A 61 -1.227 3.386 -8.836 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.469 3.261 -9.422 1.00 0.00 C ATOM 457 OH TYR A 61 -3.151 2.069 -9.333 1.00 0.00 O ATOM 0 H TYR A 61 1.672 5.597 -10.000 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.052 6.851 -11.822 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.277 7.103 -8.808 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.062 7.802 -9.697 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.789 6.352 -10.707 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.426 4.679 -8.465 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.007 4.226 -10.550 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.789 2.551 -8.309 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.615 1.422 -8.828 1.00 0.00 H new ATOM 467 N GLY A 62 2.125 8.830 -10.348 1.00 0.00 N ATOM 468 CA GLY A 62 2.704 10.160 -10.407 1.00 0.00 C ATOM 469 C GLY A 62 3.980 10.273 -9.596 1.00 0.00 C ATOM 470 O GLY A 62 4.434 9.311 -8.977 1.00 0.00 O ATOM 0 H GLY A 62 2.596 8.185 -9.713 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.913 10.416 -11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.978 10.886 -10.040 1.00 0.00 H new ATOM 474 N PRO A 63 4.580 11.473 -9.595 1.00 0.00 N ATOM 475 CA PRO A 63 5.820 11.736 -8.859 1.00 0.00 C ATOM 476 C PRO A 63 5.610 11.731 -7.349 1.00 0.00 C ATOM 477 O PRO A 63 4.706 12.390 -6.834 1.00 0.00 O ATOM 478 CB PRO A 63 6.226 13.133 -9.337 1.00 0.00 C ATOM 479 CG PRO A 63 4.950 13.772 -9.765 1.00 0.00 C ATOM 480 CD PRO A 63 4.094 12.664 -10.311 1.00 0.00 C ATOM 0 HA PRO A 63 6.574 10.971 -9.044 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.705 13.701 -8.539 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.937 13.078 -10.161 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.460 14.266 -8.926 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.131 14.535 -10.522 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.036 12.843 -10.121 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.211 12.560 -11.390 1.00 0.00 H new ATOM 488 N LEU A 64 6.451 10.982 -6.643 1.00 0.00 N ATOM 489 CA LEU A 64 6.358 10.891 -5.189 1.00 0.00 C ATOM 490 C LEU A 64 7.186 11.984 -4.521 1.00 0.00 C ATOM 491 O LEU A 64 8.339 12.213 -4.886 1.00 0.00 O ATOM 492 CB LEU A 64 6.829 9.515 -4.714 1.00 0.00 C ATOM 493 CG LEU A 64 6.020 8.319 -5.217 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.681 7.015 -4.798 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.591 8.385 -4.700 1.00 0.00 C ATOM 0 H LEU A 64 7.204 10.430 -7.053 1.00 0.00 H new ATOM 0 HA LEU A 64 5.314 11.028 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.866 9.382 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.816 9.505 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 64 5.992 8.356 -6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.092 6.174 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.685 6.965 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.740 6.970 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.031 7.526 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.598 8.374 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.119 9.303 -5.051 1.00 0.00 H new ATOM 507 N SER A 65 6.591 12.653 -3.539 1.00 0.00 N ATOM 508 CA SER A 65 7.274 13.723 -2.820 1.00 0.00 C ATOM 509 C SER A 65 8.099 13.162 -1.666 1.00 0.00 C ATOM 510 O SER A 65 9.178 13.667 -1.358 1.00 0.00 O ATOM 511 CB SER A 65 6.259 14.738 -2.290 1.00 0.00 C ATOM 512 OG SER A 65 6.892 15.722 -1.492 1.00 0.00 O ATOM 0 H SER A 65 5.638 12.474 -3.223 1.00 0.00 H new ATOM 0 HA SER A 65 7.948 14.223 -3.516 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.748 15.216 -3.126 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.498 14.224 -1.703 1.00 0.00 H new ATOM 0 HG SER A 65 6.223 16.360 -1.167 1.00 0.00 H new ATOM 518 N GLU A 66 7.582 12.113 -1.032 1.00 0.00 N ATOM 519 CA GLU A 66 8.270 11.484 0.088 1.00 0.00 C ATOM 520 C GLU A 66 7.588 10.177 0.481 1.00 0.00 C ATOM 521 O GLU A 66 6.359 10.086 0.501 1.00 0.00 O ATOM 522 CB GLU A 66 8.310 12.432 1.289 1.00 0.00 C ATOM 523 CG GLU A 66 9.003 11.843 2.506 1.00 0.00 C ATOM 524 CD GLU A 66 10.492 12.130 2.526 1.00 0.00 C ATOM 525 OE1 GLU A 66 11.248 11.389 1.863 1.00 0.00 O ATOM 526 OE2 GLU A 66 10.900 13.095 3.205 1.00 0.00 O ATOM 0 H GLU A 66 6.690 11.682 -1.275 1.00 0.00 H new ATOM 0 HA GLU A 66 9.290 11.262 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.821 13.350 0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.290 12.706 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.547 12.247 3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.844 10.765 2.523 1.00 0.00 H new ATOM 533 N LEU A 67 8.392 9.167 0.793 1.00 0.00 N ATOM 534 CA LEU A 67 7.867 7.863 1.185 1.00 0.00 C ATOM 535 C LEU A 67 8.280 7.517 2.612 1.00 0.00 C ATOM 536 O LEU A 67 9.380 7.854 3.050 1.00 0.00 O ATOM 537 CB LEU A 67 8.360 6.782 0.222 1.00 0.00 C ATOM 538 CG LEU A 67 7.817 5.373 0.460 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.399 5.250 -0.077 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.725 4.335 -0.184 1.00 0.00 C ATOM 0 H LEU A 67 9.410 9.225 0.782 1.00 0.00 H new ATOM 0 HA LEU A 67 6.779 7.909 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.101 7.083 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.448 6.744 0.276 1.00 0.00 H new ATOM 0 HG LEU A 67 7.794 5.190 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.029 4.240 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.754 5.968 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.397 5.454 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.323 3.338 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.780 4.516 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.723 4.407 0.248 1.00 0.00 H new ATOM 552 N HIS A 68 7.392 6.839 3.331 1.00 0.00 N ATOM 553 CA HIS A 68 7.665 6.443 4.709 1.00 0.00 C ATOM 554 C HIS A 68 7.392 4.956 4.911 1.00 0.00 C ATOM 555 O HIS A 68 6.243 4.540 5.056 1.00 0.00 O ATOM 556 CB HIS A 68 6.814 7.266 5.676 1.00 0.00 C ATOM 557 CG HIS A 68 6.682 6.646 7.033 1.00 0.00 C ATOM 558 ND1 HIS A 68 7.759 6.169 7.751 1.00 0.00 N ATOM 559 CD2 HIS A 68 5.592 6.429 7.805 1.00 0.00 C ATOM 560 CE1 HIS A 68 7.336 5.683 8.904 1.00 0.00 C ATOM 561 NE2 HIS A 68 6.024 5.829 8.962 1.00 0.00 N ATOM 0 H HIS A 68 6.477 6.552 2.983 1.00 0.00 H new ATOM 0 HA HIS A 68 8.719 6.632 4.914 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.253 8.258 5.780 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.820 7.401 5.249 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.572 6.681 7.557 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.957 5.241 9.669 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.429 5.543 9.740 1.00 0.00 H new ATOM 570 N TYR A 69 8.456 4.160 4.920 1.00 0.00 N ATOM 571 CA TYR A 69 8.331 2.719 5.101 1.00 0.00 C ATOM 572 C TYR A 69 8.973 2.277 6.413 1.00 0.00 C ATOM 573 O TYR A 69 10.172 2.010 6.487 1.00 0.00 O ATOM 574 CB TYR A 69 8.976 1.978 3.929 1.00 0.00 C ATOM 575 CG TYR A 69 8.396 0.602 3.689 1.00 0.00 C ATOM 576 CD1 TYR A 69 7.022 0.404 3.651 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.223 -0.499 3.500 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.487 -0.851 3.432 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.697 -1.757 3.280 1.00 0.00 C ATOM 580 CZ TYR A 69 7.329 -1.928 3.247 1.00 0.00 C ATOM 581 OH TYR A 69 6.801 -3.180 3.029 1.00 0.00 O ATOM 0 H TYR A 69 9.415 4.489 4.804 1.00 0.00 H new ATOM 0 HA TYR A 69 7.270 2.474 5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.860 2.575 3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.046 1.885 4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.360 1.245 3.795 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.295 -0.369 3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.416 -0.988 3.406 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.353 -2.602 3.135 1.00 0.00 H new ATOM 0 HH TYR A 69 7.475 -3.750 2.603 1.00 0.00 H new ATOM 591 N PRO A 70 8.155 2.197 7.473 1.00 0.00 N ATOM 592 CA PRO A 70 8.620 1.787 8.802 1.00 0.00 C ATOM 593 C PRO A 70 8.993 0.309 8.854 1.00 0.00 C ATOM 594 O PRO A 70 8.303 -0.536 8.284 1.00 0.00 O ATOM 595 CB PRO A 70 7.413 2.066 9.701 1.00 0.00 C ATOM 596 CG PRO A 70 6.237 1.995 8.790 1.00 0.00 C ATOM 597 CD PRO A 70 6.715 2.501 7.457 1.00 0.00 C ATOM 0 HA PRO A 70 9.523 2.319 9.101 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.338 1.331 10.502 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.489 3.045 10.173 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.867 0.973 8.710 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.415 2.603 9.166 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.208 2.001 6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.531 3.569 7.343 1.00 0.00 H new ATOM 605 N ILE A 71 10.088 0.004 9.543 1.00 0.00 N ATOM 606 CA ILE A 71 10.551 -1.372 9.671 1.00 0.00 C ATOM 607 C ILE A 71 10.990 -1.673 11.100 1.00 0.00 C ATOM 608 O ILE A 71 11.606 -0.837 11.760 1.00 0.00 O ATOM 609 CB ILE A 71 11.721 -1.663 8.714 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.364 -1.232 7.290 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.080 -3.141 8.751 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.355 -2.137 6.619 1.00 0.00 C ATOM 0 H ILE A 71 10.671 0.691 10.021 1.00 0.00 H new ATOM 0 HA ILE A 71 9.710 -2.014 9.409 1.00 0.00 H new ATOM 0 HB ILE A 71 12.589 -1.089 9.040 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.969 -0.216 7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.273 -1.206 6.689 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.909 -3.331 8.069 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.372 -3.419 9.764 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.217 -3.733 8.447 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.150 -1.771 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.755 -3.149 6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.431 -2.144 7.198 1.00 0.00 H new ATOM 624 N ASP A 72 10.670 -2.874 11.570 1.00 0.00 N ATOM 625 CA ASP A 72 11.034 -3.288 12.920 1.00 0.00 C ATOM 626 C ASP A 72 12.548 -3.418 13.059 1.00 0.00 C ATOM 627 O ASP A 72 13.232 -3.846 12.130 1.00 0.00 O ATOM 628 CB ASP A 72 10.362 -4.617 13.268 1.00 0.00 C ATOM 629 CG ASP A 72 10.110 -4.766 14.755 1.00 0.00 C ATOM 630 OD1 ASP A 72 11.094 -4.862 15.517 1.00 0.00 O ATOM 631 OD2 ASP A 72 8.927 -4.789 15.157 1.00 0.00 O ATOM 0 H ASP A 72 10.160 -3.577 11.036 1.00 0.00 H new ATOM 0 HA ASP A 72 10.688 -2.522 13.614 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.416 -4.693 12.733 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.990 -5.439 12.925 1.00 0.00 H new ATOM 636 N SER A 73 13.064 -3.044 14.226 1.00 0.00 N ATOM 637 CA SER A 73 14.498 -3.114 14.485 1.00 0.00 C ATOM 638 C SER A 73 14.900 -4.514 14.938 1.00 0.00 C ATOM 639 O SER A 73 16.086 -4.820 15.068 1.00 0.00 O ATOM 640 CB SER A 73 14.896 -2.087 15.547 1.00 0.00 C ATOM 641 OG SER A 73 16.270 -2.200 15.875 1.00 0.00 O ATOM 0 H SER A 73 12.511 -2.690 15.006 1.00 0.00 H new ATOM 0 HA SER A 73 15.022 -2.887 13.557 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.688 -1.082 15.181 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.292 -2.232 16.443 1.00 0.00 H new ATOM 0 HG SER A 73 16.580 -3.109 15.678 1.00 0.00 H new ATOM 647 N LEU A 74 13.905 -5.360 15.177 1.00 0.00 N ATOM 648 CA LEU A 74 14.153 -6.729 15.615 1.00 0.00 C ATOM 649 C LEU A 74 13.878 -7.720 14.489 1.00 0.00 C ATOM 650 O LEU A 74 14.766 -8.463 14.070 1.00 0.00 O ATOM 651 CB LEU A 74 13.282 -7.063 16.828 1.00 0.00 C ATOM 652 CG LEU A 74 13.068 -5.930 17.832 1.00 0.00 C ATOM 653 CD1 LEU A 74 11.982 -6.300 18.831 1.00 0.00 C ATOM 654 CD2 LEU A 74 14.368 -5.603 18.552 1.00 0.00 C ATOM 0 H LEU A 74 12.918 -5.122 15.075 1.00 0.00 H new ATOM 0 HA LEU A 74 15.203 -6.809 15.896 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.307 -7.394 16.470 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.732 -7.906 17.352 1.00 0.00 H new ATOM 0 HG LEU A 74 12.745 -5.043 17.287 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.844 -5.482 19.538 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.047 -6.484 18.301 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.276 -7.200 19.371 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.197 -4.794 19.263 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.721 -6.486 19.085 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.119 -5.294 17.825 1.00 0.00 H new ATOM 666 N THR A 75 12.641 -7.726 14.001 1.00 0.00 N ATOM 667 CA THR A 75 12.249 -8.624 12.923 1.00 0.00 C ATOM 668 C THR A 75 12.779 -8.136 11.580 1.00 0.00 C ATOM 669 O THR A 75 12.833 -8.892 10.610 1.00 0.00 O ATOM 670 CB THR A 75 10.717 -8.764 12.837 1.00 0.00 C ATOM 671 OG1 THR A 75 10.148 -7.577 12.273 1.00 0.00 O ATOM 672 CG2 THR A 75 10.119 -9.015 14.213 1.00 0.00 C ATOM 0 H THR A 75 11.894 -7.118 14.336 1.00 0.00 H new ATOM 0 HA THR A 75 12.683 -9.598 13.150 1.00 0.00 H new ATOM 0 HB THR A 75 10.487 -9.616 12.197 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.174 -7.674 12.220 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.037 -9.110 14.127 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.533 -9.934 14.627 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.359 -8.180 14.872 1.00 0.00 H new ATOM 680 N LYS A 76 13.171 -6.867 11.530 1.00 0.00 N ATOM 681 CA LYS A 76 13.699 -6.277 10.306 1.00 0.00 C ATOM 682 C LYS A 76 12.656 -6.306 9.193 1.00 0.00 C ATOM 683 O LYS A 76 12.992 -6.430 8.015 1.00 0.00 O ATOM 684 CB LYS A 76 14.958 -7.022 9.858 1.00 0.00 C ATOM 685 CG LYS A 76 16.109 -6.919 10.844 1.00 0.00 C ATOM 686 CD LYS A 76 16.677 -5.510 10.892 1.00 0.00 C ATOM 687 CE LYS A 76 17.826 -5.406 11.883 1.00 0.00 C ATOM 688 NZ LYS A 76 19.010 -6.195 11.444 1.00 0.00 N ATOM 0 H LYS A 76 13.133 -6.227 12.324 1.00 0.00 H new ATOM 0 HA LYS A 76 13.953 -5.238 10.515 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.713 -8.073 9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.280 -6.628 8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.766 -7.208 11.837 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.895 -7.620 10.562 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.024 -5.222 9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.890 -4.809 11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.110 -4.360 12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.496 -5.759 12.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.824 -5.967 12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.797 -7.210 11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.237 -5.960 10.457 1.00 0.00 H new ATOM 702 N LYS A 77 11.389 -6.188 9.574 1.00 0.00 N ATOM 703 CA LYS A 77 10.295 -6.197 8.609 1.00 0.00 C ATOM 704 C LYS A 77 9.199 -5.219 9.019 1.00 0.00 C ATOM 705 O LYS A 77 8.992 -4.942 10.201 1.00 0.00 O ATOM 706 CB LYS A 77 9.714 -7.607 8.480 1.00 0.00 C ATOM 707 CG LYS A 77 10.660 -8.597 7.822 1.00 0.00 C ATOM 708 CD LYS A 77 9.930 -9.853 7.375 1.00 0.00 C ATOM 709 CE LYS A 77 10.865 -11.051 7.318 1.00 0.00 C ATOM 710 NZ LYS A 77 10.441 -12.038 6.287 1.00 0.00 N ATOM 0 H LYS A 77 11.094 -6.085 10.545 1.00 0.00 H new ATOM 0 HA LYS A 77 10.693 -5.884 7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.450 -7.974 9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.791 -7.559 7.901 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.139 -8.128 6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.452 -8.865 8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.110 -10.062 8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.488 -9.688 6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.878 -10.711 7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.894 -11.535 8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.104 -12.839 6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.485 -12.382 6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.438 -11.583 5.352 1.00 0.00 H new ATOM 724 N PRO A 78 8.478 -4.685 8.022 1.00 0.00 N ATOM 725 CA PRO A 78 7.389 -3.732 8.256 1.00 0.00 C ATOM 726 C PRO A 78 6.178 -4.384 8.913 1.00 0.00 C ATOM 727 O PRO A 78 5.812 -5.512 8.582 1.00 0.00 O ATOM 728 CB PRO A 78 7.037 -3.244 6.848 1.00 0.00 C ATOM 729 CG PRO A 78 7.460 -4.352 5.947 1.00 0.00 C ATOM 730 CD PRO A 78 8.670 -4.970 6.591 1.00 0.00 C ATOM 0 HA PRO A 78 7.685 -2.934 8.937 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.970 -3.043 6.754 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.559 -2.317 6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.663 -5.086 5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.697 -3.977 4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.724 -6.041 6.399 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.594 -4.531 6.214 1.00 0.00 H new ATOM 738 N LYS A 79 5.559 -3.668 9.845 1.00 0.00 N ATOM 739 CA LYS A 79 4.387 -4.177 10.548 1.00 0.00 C ATOM 740 C LYS A 79 3.200 -4.311 9.600 1.00 0.00 C ATOM 741 O LYS A 79 2.222 -4.993 9.906 1.00 0.00 O ATOM 742 CB LYS A 79 4.022 -3.250 11.710 1.00 0.00 C ATOM 743 CG LYS A 79 4.969 -3.358 12.894 1.00 0.00 C ATOM 744 CD LYS A 79 5.069 -2.043 13.649 1.00 0.00 C ATOM 745 CE LYS A 79 6.151 -2.095 14.716 1.00 0.00 C ATOM 746 NZ LYS A 79 5.867 -1.160 15.840 1.00 0.00 N ATOM 0 H LYS A 79 5.849 -2.733 10.131 1.00 0.00 H new ATOM 0 HA LYS A 79 4.630 -5.164 10.940 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.015 -2.220 11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.010 -3.479 12.043 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.622 -4.141 13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.958 -3.654 12.544 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.285 -1.236 12.949 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.109 -1.815 14.113 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.233 -3.111 15.101 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.113 -1.845 14.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.628 -1.225 16.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.814 -0.187 15.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.961 -1.414 16.283 1.00 0.00 H new ATOM 760 N GLY A 80 3.292 -3.657 8.446 1.00 0.00 N ATOM 761 CA GLY A 80 2.219 -3.718 7.470 1.00 0.00 C ATOM 762 C GLY A 80 1.506 -2.391 7.309 1.00 0.00 C ATOM 763 O GLY A 80 0.277 -2.342 7.243 1.00 0.00 O ATOM 0 H GLY A 80 4.091 -3.086 8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.625 -4.028 6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.500 -4.479 7.772 1.00 0.00 H new ATOM 767 N PHE A 81 2.277 -1.310 7.248 1.00 0.00 N ATOM 768 CA PHE A 81 1.711 0.025 7.096 1.00 0.00 C ATOM 769 C PHE A 81 2.768 1.012 6.610 1.00 0.00 C ATOM 770 O PHE A 81 3.952 0.869 6.913 1.00 0.00 O ATOM 771 CB PHE A 81 1.120 0.505 8.423 1.00 0.00 C ATOM 772 CG PHE A 81 2.155 0.977 9.405 1.00 0.00 C ATOM 773 CD1 PHE A 81 3.142 0.116 9.858 1.00 0.00 C ATOM 774 CD2 PHE A 81 2.141 2.280 9.873 1.00 0.00 C ATOM 775 CE1 PHE A 81 4.095 0.547 10.761 1.00 0.00 C ATOM 776 CE2 PHE A 81 3.092 2.717 10.777 1.00 0.00 C ATOM 777 CZ PHE A 81 4.071 1.850 11.220 1.00 0.00 C ATOM 0 H PHE A 81 3.295 -1.333 7.302 1.00 0.00 H new ATOM 0 HA PHE A 81 0.918 -0.026 6.350 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.420 1.317 8.227 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.549 -0.307 8.872 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.167 -0.903 9.501 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.379 2.963 9.528 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.858 -0.134 11.108 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.069 3.735 11.136 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.816 2.190 11.924 1.00 0.00 H new ATOM 787 N ALA A 82 2.331 2.014 5.855 1.00 0.00 N ATOM 788 CA ALA A 82 3.238 3.026 5.328 1.00 0.00 C ATOM 789 C ALA A 82 2.481 4.287 4.925 1.00 0.00 C ATOM 790 O ALA A 82 1.250 4.305 4.910 1.00 0.00 O ATOM 791 CB ALA A 82 4.015 2.473 4.142 1.00 0.00 C ATOM 0 H ALA A 82 1.354 2.147 5.594 1.00 0.00 H new ATOM 0 HA ALA A 82 3.941 3.293 6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.688 3.240 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.595 1.606 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.319 2.176 3.357 1.00 0.00 H new ATOM 797 N PHE A 83 3.223 5.339 4.599 1.00 0.00 N ATOM 798 CA PHE A 83 2.621 6.605 4.198 1.00 0.00 C ATOM 799 C PHE A 83 3.228 7.105 2.890 1.00 0.00 C ATOM 800 O PHE A 83 4.429 7.360 2.807 1.00 0.00 O ATOM 801 CB PHE A 83 2.810 7.655 5.295 1.00 0.00 C ATOM 802 CG PHE A 83 1.758 7.600 6.365 1.00 0.00 C ATOM 803 CD1 PHE A 83 1.777 6.599 7.323 1.00 0.00 C ATOM 804 CD2 PHE A 83 0.749 8.549 6.413 1.00 0.00 C ATOM 805 CE1 PHE A 83 0.809 6.546 8.308 1.00 0.00 C ATOM 806 CE2 PHE A 83 -0.221 8.501 7.396 1.00 0.00 C ATOM 807 CZ PHE A 83 -0.190 7.499 8.346 1.00 0.00 C ATOM 0 H PHE A 83 4.243 5.340 4.605 1.00 0.00 H new ATOM 0 HA PHE A 83 1.555 6.439 4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.790 7.518 5.753 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.805 8.647 4.842 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.557 5.852 7.300 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.721 9.335 5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.834 5.760 9.048 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.002 9.246 7.421 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.945 7.461 9.117 1.00 0.00 H new ATOM 817 N VAL A 84 2.387 7.243 1.869 1.00 0.00 N ATOM 818 CA VAL A 84 2.838 7.713 0.565 1.00 0.00 C ATOM 819 C VAL A 84 2.417 9.158 0.325 1.00 0.00 C ATOM 820 O VAL A 84 1.228 9.478 0.321 1.00 0.00 O ATOM 821 CB VAL A 84 2.284 6.833 -0.571 1.00 0.00 C ATOM 822 CG1 VAL A 84 2.757 7.345 -1.923 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.694 5.382 -0.369 1.00 0.00 C ATOM 0 H VAL A 84 1.390 7.036 1.921 1.00 0.00 H new ATOM 0 HA VAL A 84 3.926 7.651 0.566 1.00 0.00 H new ATOM 0 HB VAL A 84 1.195 6.886 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.355 6.711 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.409 8.368 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.846 7.324 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.294 4.774 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.782 5.309 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.301 5.022 0.582 1.00 0.00 H new ATOM 833 N THR A 85 3.400 10.030 0.124 1.00 0.00 N ATOM 834 CA THR A 85 3.132 11.442 -0.116 1.00 0.00 C ATOM 835 C THR A 85 3.463 11.828 -1.553 1.00 0.00 C ATOM 836 O THR A 85 4.615 11.748 -1.979 1.00 0.00 O ATOM 837 CB THR A 85 3.939 12.338 0.843 1.00 0.00 C ATOM 838 OG1 THR A 85 3.938 11.773 2.159 1.00 0.00 O ATOM 839 CG2 THR A 85 3.358 13.743 0.888 1.00 0.00 C ATOM 0 H THR A 85 4.390 9.783 0.123 1.00 0.00 H new ATOM 0 HA THR A 85 2.068 11.596 0.063 1.00 0.00 H new ATOM 0 HB THR A 85 4.963 12.397 0.475 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.454 12.348 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.944 14.357 1.571 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.387 14.181 -0.110 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.325 13.699 1.235 1.00 0.00 H new ATOM 847 N PHE A 86 2.445 12.248 -2.297 1.00 0.00 N ATOM 848 CA PHE A 86 2.628 12.646 -3.688 1.00 0.00 C ATOM 849 C PHE A 86 2.960 14.132 -3.789 1.00 0.00 C ATOM 850 O PHE A 86 2.719 14.897 -2.856 1.00 0.00 O ATOM 851 CB PHE A 86 1.367 12.338 -4.499 1.00 0.00 C ATOM 852 CG PHE A 86 1.214 10.883 -4.839 1.00 0.00 C ATOM 853 CD1 PHE A 86 0.646 10.002 -3.934 1.00 0.00 C ATOM 854 CD2 PHE A 86 1.639 10.397 -6.065 1.00 0.00 C ATOM 855 CE1 PHE A 86 0.504 8.663 -4.244 1.00 0.00 C ATOM 856 CE2 PHE A 86 1.499 9.059 -6.381 1.00 0.00 C ATOM 857 CZ PHE A 86 0.932 8.190 -5.469 1.00 0.00 C ATOM 0 H PHE A 86 1.485 12.322 -1.960 1.00 0.00 H new ATOM 0 HA PHE A 86 3.463 12.076 -4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.493 12.665 -3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.387 12.918 -5.421 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.310 10.366 -2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.085 11.071 -6.781 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.059 7.987 -3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.833 8.693 -7.341 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.824 7.144 -5.713 1.00 0.00 H new ATOM 867 N MET A 87 3.516 14.532 -4.928 1.00 0.00 N ATOM 868 CA MET A 87 3.882 15.925 -5.151 1.00 0.00 C ATOM 869 C MET A 87 2.650 16.766 -5.470 1.00 0.00 C ATOM 870 O MET A 87 2.496 17.877 -4.962 1.00 0.00 O ATOM 871 CB MET A 87 4.895 16.032 -6.293 1.00 0.00 C ATOM 872 CG MET A 87 6.323 15.731 -5.868 1.00 0.00 C ATOM 873 SD MET A 87 7.531 16.167 -7.133 1.00 0.00 S ATOM 874 CE MET A 87 8.616 17.251 -6.208 1.00 0.00 C ATOM 0 H MET A 87 3.723 13.911 -5.710 1.00 0.00 H new ATOM 0 HA MET A 87 4.335 16.307 -4.236 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.608 15.343 -7.088 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.853 17.037 -6.712 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.548 16.278 -4.952 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.413 14.670 -5.636 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.417 17.604 -6.857 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.048 18.104 -5.836 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.044 16.706 -5.367 1.00 0.00 H new ATOM 884 N PHE A 88 1.774 16.230 -6.313 1.00 0.00 N ATOM 885 CA PHE A 88 0.556 16.932 -6.700 1.00 0.00 C ATOM 886 C PHE A 88 -0.680 16.190 -6.201 1.00 0.00 C ATOM 887 O PHE A 88 -0.693 14.965 -6.078 1.00 0.00 O ATOM 888 CB PHE A 88 0.493 17.087 -8.221 1.00 0.00 C ATOM 889 CG PHE A 88 1.682 17.797 -8.801 1.00 0.00 C ATOM 890 CD1 PHE A 88 2.814 17.091 -9.174 1.00 0.00 C ATOM 891 CD2 PHE A 88 1.668 19.172 -8.974 1.00 0.00 C ATOM 892 CE1 PHE A 88 3.910 17.741 -9.709 1.00 0.00 C ATOM 893 CE2 PHE A 88 2.761 19.828 -9.508 1.00 0.00 C ATOM 894 CZ PHE A 88 3.884 19.112 -9.875 1.00 0.00 C ATOM 0 H PHE A 88 1.885 15.311 -6.742 1.00 0.00 H new ATOM 0 HA PHE A 88 0.574 17.921 -6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.412 16.100 -8.676 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.412 17.635 -8.485 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.840 16.019 -9.045 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.793 19.737 -8.688 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.785 17.178 -9.997 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.737 20.900 -9.638 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.740 19.623 -10.291 1.00 0.00 H new ATOM 904 N PRO A 89 -1.746 16.950 -5.906 1.00 0.00 N ATOM 905 CA PRO A 89 -3.008 16.387 -5.416 1.00 0.00 C ATOM 906 C PRO A 89 -3.746 15.595 -6.490 1.00 0.00 C ATOM 907 O PRO A 89 -4.241 14.498 -6.235 1.00 0.00 O ATOM 908 CB PRO A 89 -3.815 17.623 -5.014 1.00 0.00 C ATOM 909 CG PRO A 89 -3.262 18.725 -5.850 1.00 0.00 C ATOM 910 CD PRO A 89 -1.802 18.416 -6.030 1.00 0.00 C ATOM 0 HA PRO A 89 -2.850 15.681 -4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.879 17.479 -5.202 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.705 17.839 -3.951 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.771 18.778 -6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.399 19.691 -5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.437 18.751 -7.001 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.191 18.907 -5.273 1.00 0.00 H new ATOM 918 N GLU A 90 -3.815 16.159 -7.692 1.00 0.00 N ATOM 919 CA GLU A 90 -4.493 15.505 -8.805 1.00 0.00 C ATOM 920 C GLU A 90 -4.125 14.025 -8.872 1.00 0.00 C ATOM 921 O GLU A 90 -4.997 13.159 -8.933 1.00 0.00 O ATOM 922 CB GLU A 90 -4.135 16.191 -10.125 1.00 0.00 C ATOM 923 CG GLU A 90 -2.645 16.206 -10.419 1.00 0.00 C ATOM 924 CD GLU A 90 -2.275 17.191 -11.511 1.00 0.00 C ATOM 925 OE1 GLU A 90 -2.701 18.361 -11.422 1.00 0.00 O ATOM 926 OE2 GLU A 90 -1.561 16.791 -12.454 1.00 0.00 O ATOM 0 H GLU A 90 -3.410 17.067 -7.920 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.567 15.588 -8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.652 15.684 -10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.503 17.217 -10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.101 16.458 -9.508 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.327 15.206 -10.714 1.00 0.00 H new ATOM 933 N HIS A 91 -2.825 13.744 -8.862 1.00 0.00 N ATOM 934 CA HIS A 91 -2.340 12.370 -8.922 1.00 0.00 C ATOM 935 C HIS A 91 -2.698 11.611 -7.648 1.00 0.00 C ATOM 936 O HIS A 91 -3.121 10.457 -7.699 1.00 0.00 O ATOM 937 CB HIS A 91 -0.826 12.350 -9.134 1.00 0.00 C ATOM 938 CG HIS A 91 -0.365 13.241 -10.246 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.779 14.006 -10.173 1.00 0.00 N ATOM 940 CD2 HIS A 91 -0.901 13.484 -11.466 1.00 0.00 C ATOM 941 CE1 HIS A 91 0.927 14.683 -11.297 1.00 0.00 C ATOM 942 NE2 HIS A 91 -0.079 14.384 -12.099 1.00 0.00 N ATOM 0 H HIS A 91 -2.090 14.449 -8.813 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.824 11.877 -9.765 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.334 12.652 -8.210 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.510 11.328 -9.344 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.806 13.051 -11.866 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.733 15.365 -11.522 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.222 14.760 -13.036 1.00 0.00 H new ATOM 951 N ALA A 92 -2.524 12.268 -6.506 1.00 0.00 N ATOM 952 CA ALA A 92 -2.829 11.656 -5.218 1.00 0.00 C ATOM 953 C ALA A 92 -4.259 11.128 -5.187 1.00 0.00 C ATOM 954 O ALA A 92 -4.585 10.235 -4.405 1.00 0.00 O ATOM 955 CB ALA A 92 -2.609 12.656 -4.093 1.00 0.00 C ATOM 0 H ALA A 92 -2.173 13.224 -6.446 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.154 10.812 -5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.841 12.185 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.569 12.982 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.260 13.518 -4.240 1.00 0.00 H new ATOM 961 N VAL A 93 -5.110 11.687 -6.042 1.00 0.00 N ATOM 962 CA VAL A 93 -6.506 11.272 -6.112 1.00 0.00 C ATOM 963 C VAL A 93 -6.673 10.056 -7.017 1.00 0.00 C ATOM 964 O VAL A 93 -7.351 9.092 -6.662 1.00 0.00 O ATOM 965 CB VAL A 93 -7.405 12.410 -6.629 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.836 11.924 -6.804 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.350 13.602 -5.686 1.00 0.00 C ATOM 0 H VAL A 93 -4.857 12.428 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.810 11.012 -5.098 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.034 12.728 -7.603 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.456 12.742 -7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.857 11.104 -7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.222 11.577 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.991 14.397 -6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.695 13.300 -4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.324 13.965 -5.617 1.00 0.00 H new ATOM 977 N LYS A 94 -6.050 10.108 -8.189 1.00 0.00 N ATOM 978 CA LYS A 94 -6.127 9.011 -9.147 1.00 0.00 C ATOM 979 C LYS A 94 -5.697 7.697 -8.504 1.00 0.00 C ATOM 980 O LYS A 94 -6.372 6.677 -8.643 1.00 0.00 O ATOM 981 CB LYS A 94 -5.248 9.307 -10.364 1.00 0.00 C ATOM 982 CG LYS A 94 -5.188 8.165 -11.363 1.00 0.00 C ATOM 983 CD LYS A 94 -3.971 8.277 -12.266 1.00 0.00 C ATOM 984 CE LYS A 94 -3.812 7.044 -13.143 1.00 0.00 C ATOM 985 NZ LYS A 94 -4.539 7.185 -14.435 1.00 0.00 N ATOM 0 H LYS A 94 -5.485 10.899 -8.499 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.164 8.915 -9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.625 10.198 -10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.238 9.535 -10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.160 7.215 -10.830 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.093 8.163 -11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.063 9.163 -12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.076 8.410 -11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.754 6.872 -13.339 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.184 6.169 -12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.406 6.325 -15.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.553 7.324 -14.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.167 8.005 -14.955 1.00 0.00 H new ATOM 999 N ALA A 95 -4.571 7.729 -7.798 1.00 0.00 N ATOM 1000 CA ALA A 95 -4.054 6.541 -7.131 1.00 0.00 C ATOM 1001 C ALA A 95 -5.030 6.036 -6.074 1.00 0.00 C ATOM 1002 O ALA A 95 -5.381 4.856 -6.053 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.699 6.836 -6.503 1.00 0.00 C ATOM 0 H ALA A 95 -4.000 8.565 -7.674 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.933 5.758 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.324 5.940 -6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.997 7.142 -7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.804 7.637 -5.772 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.464 6.935 -5.199 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.398 6.579 -4.137 1.00 0.00 C ATOM 1011 C TYR A 96 -7.665 5.956 -4.712 1.00 0.00 C ATOM 1012 O TYR A 96 -8.400 5.259 -4.013 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.754 7.814 -3.308 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.079 7.698 -2.587 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.299 6.691 -1.656 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.110 8.595 -2.838 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.507 6.580 -0.996 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.321 8.493 -2.182 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.515 7.484 -1.262 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.720 7.378 -0.606 1.00 0.00 O ATOM 0 H TYR A 96 -5.184 7.916 -5.204 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.914 5.844 -3.493 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.966 7.990 -2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.781 8.685 -3.962 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.512 5.983 -1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.962 9.386 -3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.662 5.790 -0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.112 9.199 -2.388 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.320 8.092 -0.907 1.00 0.00 H new ATOM 1030 N ALA A 97 -7.914 6.212 -5.992 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.091 5.674 -6.664 1.00 0.00 C ATOM 1032 C ALA A 97 -8.817 4.281 -7.220 1.00 0.00 C ATOM 1033 O ALA A 97 -9.709 3.435 -7.266 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.537 6.610 -7.777 1.00 0.00 C ATOM 0 H ALA A 97 -7.317 6.789 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.892 5.592 -5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.416 6.196 -8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.782 7.585 -7.356 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.732 6.721 -8.504 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.577 4.050 -7.641 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.188 2.759 -8.196 1.00 0.00 C ATOM 1042 C GLU A 98 -6.600 1.857 -7.114 1.00 0.00 C ATOM 1043 O GLU A 98 -7.116 0.771 -6.847 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.172 2.949 -9.324 1.00 0.00 C ATOM 1045 CG GLU A 98 -6.776 3.512 -10.599 1.00 0.00 C ATOM 1046 CD GLU A 98 -6.038 3.060 -11.844 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -6.165 1.873 -12.211 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -5.332 3.893 -12.451 1.00 0.00 O ATOM 0 H GLU A 98 -6.826 4.739 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.081 2.281 -8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.382 3.617 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.705 1.990 -9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.820 3.205 -10.668 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.767 4.601 -10.551 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.517 2.315 -6.494 1.00 0.00 N ATOM 1056 CA VAL A 99 -4.858 1.551 -5.441 1.00 0.00 C ATOM 1057 C VAL A 99 -5.869 1.026 -4.428 1.00 0.00 C ATOM 1058 O VAL A 99 -5.951 -0.177 -4.183 1.00 0.00 O ATOM 1059 CB VAL A 99 -3.805 2.402 -4.706 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.072 1.565 -3.668 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.827 3.013 -5.697 1.00 0.00 C ATOM 0 H VAL A 99 -5.077 3.211 -6.703 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.362 0.709 -5.924 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.316 3.214 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.332 2.183 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.786 1.181 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.572 0.731 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.091 3.611 -5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.320 2.219 -6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.368 3.648 -6.398 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.639 1.937 -3.843 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.648 1.567 -2.857 1.00 0.00 C ATOM 1073 C ASP A 100 -8.508 0.414 -3.366 1.00 0.00 C ATOM 1074 O ASP A 100 -9.510 0.628 -4.047 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.531 2.769 -2.522 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.624 2.427 -1.529 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.321 1.750 -0.524 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.781 2.836 -1.756 1.00 0.00 O ATOM 0 H ASP A 100 -6.584 2.937 -4.035 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.134 1.242 -1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.912 3.568 -2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -8.983 3.150 -3.438 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.107 -0.809 -3.032 1.00 0.00 N ATOM 1084 CA GLY A 101 -8.852 -1.977 -3.465 1.00 0.00 C ATOM 1085 C GLY A 101 -8.073 -2.830 -4.447 1.00 0.00 C ATOM 1086 O GLY A 101 -8.657 -3.611 -5.198 1.00 0.00 O ATOM 0 H GLY A 101 -7.280 -1.012 -2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.116 -2.579 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.786 -1.658 -3.927 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.753 -2.678 -4.443 1.00 0.00 N ATOM 1091 CA GLN A 102 -5.894 -3.439 -5.343 1.00 0.00 C ATOM 1092 C GLN A 102 -5.044 -4.440 -4.568 1.00 0.00 C ATOM 1093 O GLN A 102 -4.637 -4.179 -3.436 1.00 0.00 O ATOM 1094 CB GLN A 102 -4.992 -2.496 -6.141 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.718 -2.108 -5.408 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.738 -1.364 -6.295 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -2.322 -0.249 -5.980 1.00 0.00 O ATOM 1098 NE2 GLN A 102 -2.365 -1.979 -7.411 1.00 0.00 N ATOM 0 H GLN A 102 -6.255 -2.035 -3.827 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.532 -3.990 -6.033 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.727 -2.972 -7.085 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.550 -1.592 -6.385 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.972 -1.485 -4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.240 -3.006 -5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.735 -2.903 -7.632 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.708 -1.527 -8.047 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.780 -5.587 -5.184 1.00 0.00 N ATOM 1108 CA VAL A 103 -3.977 -6.628 -4.552 1.00 0.00 C ATOM 1109 C VAL A 103 -2.514 -6.521 -4.967 1.00 0.00 C ATOM 1110 O VAL A 103 -2.195 -6.495 -6.156 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.499 -8.033 -4.907 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.665 -9.102 -4.218 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.967 -8.165 -4.532 1.00 0.00 C ATOM 0 H VAL A 103 -5.110 -5.820 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.058 -6.480 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.409 -8.175 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.048 -10.088 -4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.627 -9.018 -4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.721 -8.967 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.320 -9.164 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.085 -8.004 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.550 -7.422 -5.077 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.627 -6.460 -3.979 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.196 -6.356 -4.241 1.00 0.00 C ATOM 1125 C PHE A 104 0.564 -7.495 -3.569 1.00 0.00 C ATOM 1126 O PHE A 104 0.892 -7.422 -2.385 1.00 0.00 O ATOM 1127 CB PHE A 104 0.338 -5.010 -3.747 1.00 0.00 C ATOM 1128 CG PHE A 104 1.822 -4.854 -3.918 1.00 0.00 C ATOM 1129 CD1 PHE A 104 2.425 -5.135 -5.133 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.613 -4.428 -2.864 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.791 -4.992 -5.295 1.00 0.00 C ATOM 1132 CE2 PHE A 104 3.979 -4.283 -3.019 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.568 -4.567 -4.236 1.00 0.00 C ATOM 0 H PHE A 104 -1.874 -6.481 -2.990 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.043 -6.426 -5.318 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.168 -4.208 -4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.088 -4.894 -2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.821 -5.470 -5.964 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.157 -4.207 -1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 104 4.249 -5.212 -6.248 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.585 -3.948 -2.190 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.635 -4.457 -4.359 1.00 0.00 H new ATOM 1143 N GLN A 105 0.840 -8.546 -4.334 1.00 0.00 N ATOM 1144 CA GLN A 105 1.560 -9.702 -3.812 1.00 0.00 C ATOM 1145 C GLN A 105 0.679 -10.512 -2.867 1.00 0.00 C ATOM 1146 O GLN A 105 1.173 -11.169 -1.952 1.00 0.00 O ATOM 1147 CB GLN A 105 2.830 -9.253 -3.086 1.00 0.00 C ATOM 1148 CG GLN A 105 3.579 -8.141 -3.802 1.00 0.00 C ATOM 1149 CD GLN A 105 4.995 -7.966 -3.289 1.00 0.00 C ATOM 1150 OE1 GLN A 105 5.217 -7.363 -2.238 1.00 0.00 O ATOM 1151 NE2 GLN A 105 5.962 -8.494 -4.029 1.00 0.00 N ATOM 0 H GLN A 105 0.576 -8.621 -5.316 1.00 0.00 H new ATOM 0 HA GLN A 105 1.836 -10.337 -4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.566 -8.915 -2.084 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.494 -10.110 -2.969 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.608 -8.357 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.034 -7.205 -3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.733 -8.985 -4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.935 -8.408 -3.734 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.630 -10.459 -3.095 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.559 -11.191 -2.255 1.00 0.00 C ATOM 1162 C GLY A 106 -1.895 -10.448 -0.977 1.00 0.00 C ATOM 1163 O GLY A 106 -2.298 -11.056 0.015 1.00 0.00 O ATOM 0 H GLY A 106 -1.063 -9.922 -3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.476 -11.381 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.131 -12.162 -2.005 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.727 -9.130 -0.999 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.012 -8.304 0.168 1.00 0.00 C ATOM 1169 C ARG A 107 -3.040 -7.227 -0.167 1.00 0.00 C ATOM 1170 O ARG A 107 -2.789 -6.352 -0.996 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.727 -7.655 0.686 1.00 0.00 C ATOM 1172 CG ARG A 107 0.004 -8.494 1.721 1.00 0.00 C ATOM 1173 CD ARG A 107 -0.718 -8.482 3.059 1.00 0.00 C ATOM 1174 NE ARG A 107 -0.323 -9.606 3.904 1.00 0.00 N ATOM 1175 CZ ARG A 107 -0.773 -9.790 5.140 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -1.630 -8.929 5.672 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -0.367 -10.838 5.846 1.00 0.00 N ATOM 0 H ARG A 107 -1.395 -8.611 -1.812 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.425 -8.947 0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.060 -7.468 -0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.970 -6.686 1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.092 -9.520 1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.017 -8.113 1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.506 -7.547 3.577 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.794 -8.516 2.890 1.00 0.00 H new ATOM 0 HE ARG A 107 0.334 -10.287 3.524 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.945 -8.123 5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.974 -9.073 6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.291 -11.503 5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.713 -10.979 6.795 1.00 0.00 H new ATOM 1191 N MET A 108 -4.197 -7.298 0.483 1.00 0.00 N ATOM 1192 CA MET A 108 -5.262 -6.328 0.254 1.00 0.00 C ATOM 1193 C MET A 108 -4.863 -4.950 0.773 1.00 0.00 C ATOM 1194 O MET A 108 -5.034 -4.648 1.955 1.00 0.00 O ATOM 1195 CB MET A 108 -6.554 -6.788 0.933 1.00 0.00 C ATOM 1196 CG MET A 108 -7.813 -6.309 0.230 1.00 0.00 C ATOM 1197 SD MET A 108 -7.734 -4.566 -0.226 1.00 0.00 S ATOM 1198 CE MET A 108 -7.196 -4.686 -1.930 1.00 0.00 C ATOM 0 H MET A 108 -4.421 -8.016 1.172 1.00 0.00 H new ATOM 0 HA MET A 108 -5.430 -6.257 -0.821 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.564 -7.877 0.977 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.563 -6.428 1.962 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.974 -6.908 -0.666 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.672 -6.472 0.881 1.00 0.00 H new ATOM 0 HE1 MET A 108 -6.536 -3.851 -2.163 1.00 0.00 H new ATOM 0 HE2 MET A 108 -6.660 -5.624 -2.077 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.064 -4.657 -2.589 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.331 -4.119 -0.116 1.00 0.00 N ATOM 1209 CA LEU A 109 -3.908 -2.773 0.253 1.00 0.00 C ATOM 1210 C LEU A 109 -5.113 -1.884 0.544 1.00 0.00 C ATOM 1211 O LEU A 109 -6.097 -1.892 -0.195 1.00 0.00 O ATOM 1212 CB LEU A 109 -3.065 -2.158 -0.866 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.804 -2.929 -1.257 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -1.143 -2.291 -2.469 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.832 -2.990 -0.088 1.00 0.00 C ATOM 0 H LEU A 109 -4.182 -4.354 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.305 -2.843 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.692 -2.054 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.773 -1.153 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.091 -3.948 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.247 -2.853 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.838 -2.300 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.870 -1.262 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.060 -3.542 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.551 -1.978 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.307 -3.493 0.754 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.027 -1.116 1.626 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.110 -0.218 2.014 1.00 0.00 C ATOM 1229 C HIS A 110 -5.630 1.230 2.044 1.00 0.00 C ATOM 1230 O HIS A 110 -4.815 1.607 2.886 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.662 -0.614 3.383 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.550 -1.820 3.345 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -7.536 -2.904 2.535 1.00 0.00 N flip ATOM 1234 CD2 HIS A 110 -8.605 -2.005 4.214 1.00 0.00 C flip ATOM 1235 CE1 HIS A 110 -8.571 -3.717 2.926 1.00 0.00 C flip ATOM 1236 NE2 HIS A 110 -9.200 -3.152 3.941 1.00 0.00 N flip ATOM 0 H HIS A 110 -4.220 -1.097 2.249 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.904 -0.303 1.272 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.829 -0.807 4.059 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.221 0.225 3.797 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -8.898 -1.319 4.995 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -8.829 -4.665 2.477 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -10.008 -3.536 4.431 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.141 2.037 1.120 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.765 3.444 1.042 1.00 0.00 C ATOM 1247 C VAL A 111 -6.897 4.343 1.525 1.00 0.00 C ATOM 1248 O VAL A 111 -8.036 4.224 1.072 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.385 3.844 -0.397 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -4.740 5.221 -0.415 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.460 2.804 -1.012 1.00 0.00 C ATOM 0 H VAL A 111 -6.816 1.741 0.415 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.898 3.577 1.690 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.294 3.887 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.478 5.487 -1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.440 5.956 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.839 5.209 0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.202 3.102 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.552 2.726 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.963 1.837 -1.034 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.576 5.243 2.448 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.567 6.165 2.994 1.00 0.00 C ATOM 1263 C LEU A 112 -7.094 7.610 2.868 1.00 0.00 C ATOM 1264 O LEU A 112 -5.928 7.930 3.101 1.00 0.00 O ATOM 1265 CB LEU A 112 -7.846 5.834 4.461 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.937 6.662 5.140 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -10.310 6.078 4.846 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -8.697 6.733 6.641 1.00 0.00 C ATOM 0 H LEU A 112 -5.638 5.354 2.834 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.487 6.052 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.121 4.782 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.920 5.959 5.023 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.901 7.675 4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.074 6.680 5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.483 6.079 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.358 5.055 5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.483 7.326 7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.706 5.726 7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.730 7.197 6.833 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.019 8.505 2.492 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.721 9.931 2.329 1.00 0.00 C ATOM 1282 C PRO A 113 -7.452 10.623 3.661 1.00 0.00 C ATOM 1283 O PRO A 113 -8.139 10.372 4.651 1.00 0.00 O ATOM 1284 CB PRO A 113 -8.993 10.487 1.684 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.072 9.549 2.103 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.428 8.193 2.197 1.00 0.00 C ATOM 0 HA PRO A 113 -6.820 10.095 1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.197 11.502 2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -8.902 10.526 0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.497 9.846 3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -10.888 9.544 1.380 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.879 7.588 2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.530 7.634 1.267 1.00 0.00 H new ATOM 1294 N SER A 114 -6.450 11.495 3.677 1.00 0.00 N ATOM 1295 CA SER A 114 -6.088 12.221 4.889 1.00 0.00 C ATOM 1296 C SER A 114 -5.740 13.672 4.570 1.00 0.00 C ATOM 1297 O SER A 114 -4.934 13.949 3.681 1.00 0.00 O ATOM 1298 CB SER A 114 -4.905 11.542 5.582 1.00 0.00 C ATOM 1299 OG SER A 114 -4.580 12.197 6.796 1.00 0.00 O ATOM 0 H SER A 114 -5.874 11.716 2.865 1.00 0.00 H new ATOM 0 HA SER A 114 -6.948 12.210 5.559 1.00 0.00 H new ATOM 0 HB2 SER A 114 -5.147 10.498 5.782 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.040 11.547 4.919 1.00 0.00 H new ATOM 0 HG SER A 114 -3.822 11.743 7.220 1.00 0.00 H new ATOM 1305 N THR A 115 -6.354 14.596 5.302 1.00 0.00 N ATOM 1306 CA THR A 115 -6.111 16.018 5.098 1.00 0.00 C ATOM 1307 C THR A 115 -5.790 16.716 6.415 1.00 0.00 C ATOM 1308 O THR A 115 -5.839 16.103 7.481 1.00 0.00 O ATOM 1309 CB THR A 115 -7.326 16.708 4.448 1.00 0.00 C ATOM 1310 OG1 THR A 115 -8.512 16.417 5.195 1.00 0.00 O ATOM 1311 CG2 THR A 115 -7.502 16.249 3.008 1.00 0.00 C ATOM 0 H THR A 115 -7.024 14.385 6.042 1.00 0.00 H new ATOM 0 HA THR A 115 -5.255 16.099 4.429 1.00 0.00 H new ATOM 0 HB THR A 115 -7.150 17.784 4.451 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.279 16.860 4.777 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.366 16.749 2.570 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.609 16.498 2.435 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.658 15.170 2.986 1.00 0.00 H new ATOM 1319 N ILE A 116 -5.461 18.001 6.333 1.00 0.00 N ATOM 1320 CA ILE A 116 -5.133 18.782 7.520 1.00 0.00 C ATOM 1321 C ILE A 116 -6.391 19.348 8.170 1.00 0.00 C ATOM 1322 O ILE A 116 -6.975 20.316 7.682 1.00 0.00 O ATOM 1323 CB ILE A 116 -4.177 19.941 7.184 1.00 0.00 C ATOM 1324 CG1 ILE A 116 -2.891 19.404 6.553 1.00 0.00 C ATOM 1325 CG2 ILE A 116 -3.862 20.747 8.435 1.00 0.00 C ATOM 1326 CD1 ILE A 116 -2.978 19.239 5.052 1.00 0.00 C ATOM 0 H ILE A 116 -5.414 18.523 5.458 1.00 0.00 H new ATOM 0 HA ILE A 116 -4.639 18.105 8.217 1.00 0.00 H new ATOM 0 HB ILE A 116 -4.666 20.598 6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -2.070 20.081 6.789 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -2.650 18.441 7.003 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -3.185 21.563 8.181 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -4.785 21.156 8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -3.390 20.101 9.175 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -2.031 18.855 4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -3.777 18.539 4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -3.188 20.204 4.591 1.00 0.00 H new ATOM 1338 N LYS A 117 -6.804 18.738 9.276 1.00 0.00 N ATOM 1339 CA LYS A 117 -7.991 19.182 9.998 1.00 0.00 C ATOM 1340 C LYS A 117 -7.693 20.433 10.818 1.00 0.00 C ATOM 1341 O LYS A 117 -7.218 20.347 11.951 1.00 0.00 O ATOM 1342 CB LYS A 117 -8.502 18.068 10.914 1.00 0.00 C ATOM 1343 CG LYS A 117 -9.968 18.212 11.287 1.00 0.00 C ATOM 1344 CD LYS A 117 -10.142 19.031 12.554 1.00 0.00 C ATOM 1345 CE LYS A 117 -11.612 19.273 12.863 1.00 0.00 C ATOM 1346 NZ LYS A 117 -12.251 18.084 13.490 1.00 0.00 N ATOM 0 H LYS A 117 -6.334 17.934 9.692 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.762 19.424 9.266 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -8.354 17.107 10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -7.904 18.055 11.825 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.508 18.688 10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -10.407 17.224 11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -9.674 18.513 13.391 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -9.630 19.987 12.444 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.706 20.130 13.530 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -12.139 19.526 11.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.252 18.290 13.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.184 17.272 12.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.764 17.858 14.381 1.00 0.00 H new ATOM 1360 N LYS A 118 -7.977 21.595 10.240 1.00 0.00 N ATOM 1361 CA LYS A 118 -7.743 22.865 10.918 1.00 0.00 C ATOM 1362 C LYS A 118 -8.947 23.258 11.768 1.00 0.00 C ATOM 1363 O LYS A 118 -10.091 23.006 11.393 1.00 0.00 O ATOM 1364 CB LYS A 118 -7.445 23.965 9.897 1.00 0.00 C ATOM 1365 CG LYS A 118 -6.985 25.269 10.524 1.00 0.00 C ATOM 1366 CD LYS A 118 -7.319 26.461 9.642 1.00 0.00 C ATOM 1367 CE LYS A 118 -6.364 26.567 8.463 1.00 0.00 C ATOM 1368 NZ LYS A 118 -4.973 26.868 8.902 1.00 0.00 N ATOM 0 H LYS A 118 -8.370 21.684 9.303 1.00 0.00 H new ATOM 0 HA LYS A 118 -6.881 22.744 11.574 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -6.677 23.612 9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -8.341 24.152 9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -7.458 25.392 11.498 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -5.909 25.232 10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -8.342 26.369 9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -7.273 27.376 10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -6.374 25.632 7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -6.708 27.349 7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -4.439 27.277 8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.997 27.547 9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.510 25.991 9.215 1.00 0.00 H new ATOM 1382 N GLU A 119 -8.679 23.877 12.914 1.00 0.00 N ATOM 1383 CA GLU A 119 -9.742 24.306 13.816 1.00 0.00 C ATOM 1384 C GLU A 119 -9.915 25.821 13.773 1.00 0.00 C ATOM 1385 O GLU A 119 -9.149 26.561 14.388 1.00 0.00 O ATOM 1386 CB GLU A 119 -9.439 23.856 15.247 1.00 0.00 C ATOM 1387 CG GLU A 119 -10.680 23.678 16.105 1.00 0.00 C ATOM 1388 CD GLU A 119 -11.238 24.997 16.604 1.00 0.00 C ATOM 1389 OE1 GLU A 119 -10.474 25.983 16.652 1.00 0.00 O ATOM 1390 OE2 GLU A 119 -12.438 25.042 16.947 1.00 0.00 O ATOM 0 H GLU A 119 -7.737 24.092 13.239 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.672 23.843 13.486 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.892 22.914 15.214 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.784 24.589 15.718 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -11.445 23.159 15.527 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -10.440 23.043 16.958 1.00 0.00 H new ATOM 1397 N ALA A 120 -10.927 26.275 13.040 1.00 0.00 N ATOM 1398 CA ALA A 120 -11.202 27.701 12.917 1.00 0.00 C ATOM 1399 C ALA A 120 -12.640 27.947 12.475 1.00 0.00 C ATOM 1400 O ALA A 120 -13.147 27.274 11.578 1.00 0.00 O ATOM 1401 CB ALA A 120 -10.230 28.343 11.939 1.00 0.00 C ATOM 0 H ALA A 120 -11.570 25.675 12.523 1.00 0.00 H new ATOM 0 HA ALA A 120 -11.068 28.157 13.898 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -10.447 29.408 11.857 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -9.210 28.207 12.298 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -10.336 27.875 10.960 1.00 0.00 H new ATOM 1407 N SER A 121 -13.293 28.914 13.111 1.00 0.00 N ATOM 1408 CA SER A 121 -14.675 29.246 12.786 1.00 0.00 C ATOM 1409 C SER A 121 -14.739 30.214 11.608 1.00 0.00 C ATOM 1410 O SER A 121 -14.760 31.431 11.793 1.00 0.00 O ATOM 1411 CB SER A 121 -15.375 29.856 14.002 1.00 0.00 C ATOM 1412 OG SER A 121 -14.684 31.003 14.465 1.00 0.00 O ATOM 0 H SER A 121 -12.887 29.482 13.855 1.00 0.00 H new ATOM 0 HA SER A 121 -15.187 28.326 12.505 1.00 0.00 H new ATOM 0 HB2 SER A 121 -16.398 30.125 13.740 1.00 0.00 H new ATOM 0 HB3 SER A 121 -15.435 29.116 14.800 1.00 0.00 H new ATOM 0 HG SER A 121 -14.440 31.568 13.702 1.00 0.00 H new ATOM 1418 N GLN A 122 -14.770 29.664 10.399 1.00 0.00 N ATOM 1419 CA GLN A 122 -14.831 30.478 9.191 1.00 0.00 C ATOM 1420 C GLN A 122 -15.033 29.606 7.956 1.00 0.00 C ATOM 1421 O GLN A 122 -14.212 28.739 7.656 1.00 0.00 O ATOM 1422 CB GLN A 122 -13.553 31.305 9.043 1.00 0.00 C ATOM 1423 CG GLN A 122 -13.749 32.594 8.261 1.00 0.00 C ATOM 1424 CD GLN A 122 -14.298 33.718 9.118 1.00 0.00 C ATOM 1425 OE1 GLN A 122 -13.545 34.446 9.765 1.00 0.00 O ATOM 1426 NE2 GLN A 122 -15.618 33.866 9.126 1.00 0.00 N ATOM 0 H GLN A 122 -14.754 28.658 10.230 1.00 0.00 H new ATOM 0 HA GLN A 122 -15.683 31.152 9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -13.169 31.546 10.034 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -12.794 30.700 8.546 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -12.796 32.902 7.831 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -14.429 32.410 7.430 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -16.205 33.240 8.575 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -16.045 34.606 9.684 1.00 0.00 H new ATOM 1435 N SER A 123 -16.130 29.842 7.244 1.00 0.00 N ATOM 1436 CA SER A 123 -16.441 29.075 6.043 1.00 0.00 C ATOM 1437 C SER A 123 -15.395 29.314 4.959 1.00 0.00 C ATOM 1438 O SER A 123 -14.958 28.382 4.286 1.00 0.00 O ATOM 1439 CB SER A 123 -17.830 29.449 5.520 1.00 0.00 C ATOM 1440 OG SER A 123 -18.043 28.923 4.222 1.00 0.00 O ATOM 0 H SER A 123 -16.818 30.558 7.478 1.00 0.00 H new ATOM 0 HA SER A 123 -16.431 28.017 6.304 1.00 0.00 H new ATOM 0 HB2 SER A 123 -18.593 29.069 6.200 1.00 0.00 H new ATOM 0 HB3 SER A 123 -17.934 30.534 5.498 1.00 0.00 H new ATOM 0 HG SER A 123 -18.938 29.174 3.910 1.00 0.00 H new ATOM 1446 N GLY A 124 -14.997 30.573 4.796 1.00 0.00 N ATOM 1447 CA GLY A 124 -14.006 30.913 3.793 1.00 0.00 C ATOM 1448 C GLY A 124 -14.613 31.093 2.416 1.00 0.00 C ATOM 1449 O GLY A 124 -14.328 30.339 1.485 1.00 0.00 O ATOM 0 H GLY A 124 -15.344 31.362 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -13.498 31.832 4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -13.250 30.129 3.754 1.00 0.00 H new ATOM 1453 N PRO A 125 -15.472 32.113 2.272 1.00 0.00 N ATOM 1454 CA PRO A 125 -16.140 32.412 1.002 1.00 0.00 C ATOM 1455 C PRO A 125 -15.173 32.950 -0.048 1.00 0.00 C ATOM 1456 O PRO A 125 -14.795 34.121 -0.016 1.00 0.00 O ATOM 1457 CB PRO A 125 -17.164 33.483 1.384 1.00 0.00 C ATOM 1458 CG PRO A 125 -16.599 34.132 2.600 1.00 0.00 C ATOM 1459 CD PRO A 125 -15.857 33.053 3.338 1.00 0.00 C ATOM 0 HA PRO A 125 -16.581 31.522 0.553 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -17.302 34.204 0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -18.140 33.043 1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -15.932 34.951 2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -17.390 34.556 3.219 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -14.985 33.449 3.859 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -16.486 32.574 4.088 1.00 0.00 H new ATOM 1467 N SER A 126 -14.778 32.087 -0.979 1.00 0.00 N ATOM 1468 CA SER A 126 -13.853 32.475 -2.038 1.00 0.00 C ATOM 1469 C SER A 126 -14.317 31.939 -3.388 1.00 0.00 C ATOM 1470 O SER A 126 -14.782 30.804 -3.492 1.00 0.00 O ATOM 1471 CB SER A 126 -12.446 31.960 -1.728 1.00 0.00 C ATOM 1472 OG SER A 126 -11.460 32.759 -2.358 1.00 0.00 O ATOM 0 H SER A 126 -15.084 31.115 -1.021 1.00 0.00 H new ATOM 0 HA SER A 126 -13.831 33.564 -2.087 1.00 0.00 H new ATOM 0 HB2 SER A 126 -12.285 31.960 -0.650 1.00 0.00 H new ATOM 0 HB3 SER A 126 -12.351 30.927 -2.064 1.00 0.00 H new ATOM 0 HG SER A 126 -10.570 32.410 -2.143 1.00 0.00 H new ATOM 1478 N SER A 127 -14.188 32.764 -4.422 1.00 0.00 N ATOM 1479 CA SER A 127 -14.597 32.376 -5.766 1.00 0.00 C ATOM 1480 C SER A 127 -13.610 32.896 -6.807 1.00 0.00 C ATOM 1481 O SER A 127 -13.191 34.052 -6.757 1.00 0.00 O ATOM 1482 CB SER A 127 -16.000 32.906 -6.068 1.00 0.00 C ATOM 1483 OG SER A 127 -16.985 32.180 -5.353 1.00 0.00 O ATOM 0 H SER A 127 -13.803 33.706 -4.354 1.00 0.00 H new ATOM 0 HA SER A 127 -14.609 31.287 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 127 -16.058 33.962 -5.803 1.00 0.00 H new ATOM 0 HB3 SER A 127 -16.196 32.835 -7.138 1.00 0.00 H new ATOM 0 HG SER A 127 -17.872 32.539 -5.562 1.00 0.00 H new ATOM 1489 N GLY A 128 -13.242 32.033 -7.749 1.00 0.00 N ATOM 1490 CA GLY A 128 -12.307 32.423 -8.788 1.00 0.00 C ATOM 1491 C GLY A 128 -10.995 32.931 -8.225 1.00 0.00 C ATOM 1492 O GLY A 128 -10.868 34.110 -7.896 1.00 0.00 O ATOM 0 H GLY A 128 -13.575 31.071 -7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -12.114 31.570 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -12.758 33.199 -9.406 1.00 0.00 H new TER 1496 GLY A 128