USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 847 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 16 LYS NZ :NH3+ 167:sc= 2.37 (180deg=0.89) USER MOD Set 1.2: A 22 ASN : amide:sc= 1.06 K(o=2.7,f=-13!) USER MOD Set 1.3: A 109 SER OG : rot -1:sc= -0.677! USER MOD Set 2.1: A 7 LYS NZ :NH3+ -168:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 81 SER OG : rot 82:sc= 2.39 USER MOD Set 3.1: A 12 HIS : no HD1:sc= 0.518 K(o=0.079,f=-13!) USER MOD Set 3.2: A 66 SER OG : rot -56:sc= 1.32 USER MOD Set 3.3: A 68 CYS SG : rot 131:sc= 0.611 USER MOD Set 3.4: A 70 SER OG : rot 180:sc= 0 USER MOD Set 3.5: A 107 THR OG1 : rot -122:sc= 0.835 USER MOD Set 3.6: A 112 HIS :FLIP no HD1:sc= -3.21! C(o=-1.8!,f=0.079!) USER MOD Set 4.1: A 25 SER OG : rot 180:sc= 0.228 USER MOD Set 4.2: A 28 THR OG1 : rot -79:sc= 0.267 USER MOD Single : A 18 SER OG : rot -78:sc= 1.13 USER MOD Single : A 20 SER OG : rot -71:sc= 1.83 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0931 USER MOD Single : A 32 THR OG1 : rot -155:sc= -0.624 USER MOD Single : A 36 THR OG1 : rot -88:sc= 1.63 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= -0.0231 (180deg=-0.225) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 176:sc= -0.197 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 88:sc= -0.591! USER MOD Single : A 64 GLN : amide:sc= 1.15 K(o=1.1,f=-0.16) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0358 USER MOD Single : A 85 MET CE :methyl -129:sc= -2.79 (180deg=-3.91!) USER MOD Single : A 86 MET CE :methyl -158:sc= -0.118 (180deg=-0.68) USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= -0.0473 (180deg=-0.315) USER MOD Single : A 97 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.084) USER MOD Single : A 102 SER OG : rot 130:sc= 1.01 USER MOD Single : A 106 GLN : amide:sc= -0.0554 X(o=-0.055,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 7 -18.801 -5.113 -2.944 1.00 0.57 N ATOM 47 CA LYS A 7 -17.895 -4.330 -3.774 1.00 0.51 C ATOM 48 C LYS A 7 -17.413 -3.078 -3.055 1.00 0.42 C ATOM 49 O LYS A 7 -18.192 -2.180 -2.731 1.00 0.60 O ATOM 50 CB LYS A 7 -18.559 -3.960 -5.103 1.00 0.64 C ATOM 51 CG LYS A 7 -18.147 -4.845 -6.275 1.00 0.92 C ATOM 52 CD LYS A 7 -17.957 -6.293 -5.854 1.00 0.87 C ATOM 53 CE LYS A 7 -17.988 -7.236 -7.047 1.00 1.10 C ATOM 54 NZ LYS A 7 -17.862 -8.663 -6.640 1.00 1.19 N ATOM 0 HA LYS A 7 -17.023 -4.951 -3.979 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.641 -4.015 -4.983 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -18.317 -2.924 -5.341 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -18.906 -4.791 -7.055 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -17.220 -4.468 -6.706 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -17.006 -6.398 -5.332 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -18.740 -6.572 -5.149 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -18.921 -7.097 -7.594 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -17.177 -6.982 -7.730 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -17.684 -9.249 -7.480 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -17.071 -8.765 -5.973 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -18.743 -8.973 -6.182 1.00 1.19 H new ATOM 68 N LEU A 8 -16.119 -3.050 -2.816 1.00 0.33 N ATOM 69 CA LEU A 8 -15.450 -1.938 -2.162 1.00 0.26 C ATOM 70 C LEU A 8 -14.446 -1.348 -3.150 1.00 0.22 C ATOM 71 O LEU A 8 -14.092 -2.006 -4.120 1.00 0.22 O ATOM 72 CB LEU A 8 -14.727 -2.475 -0.921 1.00 0.25 C ATOM 73 CG LEU A 8 -14.643 -1.561 0.310 1.00 0.33 C ATOM 74 CD1 LEU A 8 -14.049 -2.337 1.469 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.796 -0.330 0.050 1.00 0.81 C ATOM 0 H LEU A 8 -15.489 -3.810 -3.074 1.00 0.33 H new ATOM 0 HA LEU A 8 -16.157 -1.167 -1.858 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.221 -3.399 -0.619 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.710 -2.738 -1.213 1.00 0.25 H new ATOM 0 HG LEU A 8 -15.654 -1.228 0.545 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -13.987 -1.692 2.345 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -14.682 -3.196 1.694 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -13.050 -2.682 1.202 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -13.765 0.287 0.948 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.784 -0.634 -0.216 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -14.230 0.244 -0.769 1.00 0.81 H new ATOM 87 N ARG A 9 -14.012 -0.124 -2.931 1.00 0.24 N ATOM 88 CA ARG A 9 -12.948 0.460 -3.729 1.00 0.23 C ATOM 89 C ARG A 9 -11.908 1.077 -2.810 1.00 0.20 C ATOM 90 O ARG A 9 -12.255 1.816 -1.885 1.00 0.21 O ATOM 91 CB ARG A 9 -13.495 1.524 -4.679 1.00 0.25 C ATOM 92 CG ARG A 9 -12.409 2.216 -5.484 1.00 0.26 C ATOM 93 CD ARG A 9 -12.959 3.348 -6.331 1.00 0.34 C ATOM 94 NE ARG A 9 -11.891 4.196 -6.863 1.00 0.49 N ATOM 95 CZ ARG A 9 -12.101 5.327 -7.531 1.00 0.81 C ATOM 96 NH1 ARG A 9 -13.336 5.769 -7.727 1.00 1.06 N ATOM 97 NH2 ARG A 9 -11.071 6.017 -7.998 1.00 0.98 N ATOM 0 H ARG A 9 -14.380 0.490 -2.204 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.492 -0.328 -4.328 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -14.207 1.061 -5.362 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -14.044 2.269 -4.103 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.650 2.607 -4.807 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.917 1.488 -6.129 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.541 2.936 -7.155 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.639 3.953 -5.732 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.926 3.901 -6.712 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -14.130 5.241 -7.365 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.492 6.637 -8.240 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -10.120 5.681 -7.845 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -11.229 6.885 -8.511 1.00 0.98 H new ATOM 111 N ALA A 10 -10.639 0.787 -3.054 1.00 0.20 N ATOM 112 CA ALA A 10 -9.589 1.252 -2.168 1.00 0.17 C ATOM 113 C ALA A 10 -8.275 1.469 -2.911 1.00 0.16 C ATOM 114 O ALA A 10 -7.992 0.800 -3.904 1.00 0.17 O ATOM 115 CB ALA A 10 -9.401 0.260 -1.029 1.00 0.22 C ATOM 0 H ALA A 10 -10.316 0.237 -3.850 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.893 2.217 -1.762 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.611 0.613 -0.366 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.332 0.169 -0.469 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -9.125 -0.713 -1.436 1.00 0.22 H new ATOM 121 N ALA A 11 -7.483 2.411 -2.417 1.00 0.17 N ATOM 122 CA ALA A 11 -6.170 2.700 -2.983 1.00 0.18 C ATOM 123 C ALA A 11 -5.088 2.215 -2.030 1.00 0.17 C ATOM 124 O ALA A 11 -5.184 2.434 -0.824 1.00 0.19 O ATOM 125 CB ALA A 11 -6.016 4.192 -3.256 1.00 0.20 C ATOM 0 H ALA A 11 -7.730 2.994 -1.617 1.00 0.17 H new ATOM 0 HA ALA A 11 -6.070 2.175 -3.933 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -5.030 4.385 -3.678 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.782 4.514 -3.962 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -6.127 4.746 -2.324 1.00 0.20 H new ATOM 131 N HIS A 12 -4.060 1.567 -2.558 1.00 0.16 N ATOM 132 CA HIS A 12 -3.072 0.917 -1.707 1.00 0.16 C ATOM 133 C HIS A 12 -1.651 1.125 -2.225 1.00 0.15 C ATOM 134 O HIS A 12 -1.437 1.367 -3.410 1.00 0.19 O ATOM 135 CB HIS A 12 -3.366 -0.582 -1.609 1.00 0.17 C ATOM 136 CG HIS A 12 -2.992 -1.368 -2.830 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.736 -1.372 -3.986 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.939 -2.184 -3.063 1.00 0.22 C ATOM 139 CE1 HIS A 12 -3.155 -2.159 -4.871 1.00 0.23 C ATOM 140 NE2 HIS A 12 -2.065 -2.664 -4.338 1.00 0.21 N ATOM 0 H HIS A 12 -3.888 1.477 -3.559 1.00 0.16 H new ATOM 0 HA HIS A 12 -3.142 1.373 -0.719 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.831 -0.990 -0.751 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.430 -0.719 -1.415 1.00 0.17 H new ATOM 0 HD2 HIS A 12 -1.144 -2.415 -2.369 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.516 -2.356 -5.870 1.00 0.23 H new ATOM 0 HE2 HIS A 12 -1.420 -3.307 -4.798 1.00 0.21 H new ATOM 149 N LEU A 13 -0.688 0.999 -1.325 1.00 0.15 N ATOM 150 CA LEU A 13 0.722 1.100 -1.677 1.00 0.14 C ATOM 151 C LEU A 13 1.432 -0.173 -1.215 1.00 0.16 C ATOM 152 O LEU A 13 1.032 -0.776 -0.219 1.00 0.24 O ATOM 153 CB LEU A 13 1.332 2.355 -1.025 1.00 0.15 C ATOM 154 CG LEU A 13 2.604 2.913 -1.682 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.788 4.377 -1.322 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.834 2.128 -1.256 1.00 0.18 C ATOM 0 H LEU A 13 -0.859 0.825 -0.335 1.00 0.15 H new ATOM 0 HA LEU A 13 0.842 1.197 -2.756 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.576 3.140 -1.021 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.558 2.124 0.016 1.00 0.15 H new ATOM 0 HG LEU A 13 2.487 2.817 -2.761 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.693 4.757 -1.795 1.00 0.16 H new ATOM 0 HD12 LEU A 13 1.928 4.949 -1.672 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.875 4.478 -0.240 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.718 2.547 -1.737 1.00 0.18 H new ATOM 0 HD22 LEU A 13 3.947 2.189 -0.174 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.720 1.085 -1.551 1.00 0.18 H new ATOM 168 N LEU A 14 2.447 -0.602 -1.956 1.00 0.13 N ATOM 169 CA LEU A 14 3.177 -1.826 -1.637 1.00 0.14 C ATOM 170 C LEU A 14 4.683 -1.588 -1.665 1.00 0.16 C ATOM 171 O LEU A 14 5.232 -1.198 -2.688 1.00 0.27 O ATOM 172 CB LEU A 14 2.807 -2.934 -2.633 1.00 0.16 C ATOM 173 CG LEU A 14 3.661 -4.211 -2.572 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.663 -4.816 -1.176 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.153 -5.229 -3.579 1.00 0.27 C ATOM 0 H LEU A 14 2.786 -0.118 -2.787 1.00 0.13 H new ATOM 0 HA LEU A 14 2.897 -2.136 -0.630 1.00 0.14 H new ATOM 0 HB2 LEU A 14 1.765 -3.210 -2.468 1.00 0.16 H new ATOM 0 HB3 LEU A 14 2.873 -2.525 -3.641 1.00 0.16 H new ATOM 0 HG LEU A 14 4.686 -3.937 -2.820 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.277 -5.717 -1.171 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.071 -4.095 -0.468 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.643 -5.070 -0.888 1.00 0.18 H new ATOM 0 HD21 LEU A 14 3.765 -6.129 -3.527 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.117 -5.481 -3.351 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.211 -4.808 -4.583 1.00 0.27 H new ATOM 187 N VAL A 15 5.341 -1.828 -0.544 1.00 0.13 N ATOM 188 CA VAL A 15 6.792 -1.711 -0.471 1.00 0.13 C ATOM 189 C VAL A 15 7.418 -3.096 -0.338 1.00 0.13 C ATOM 190 O VAL A 15 6.891 -3.957 0.370 1.00 0.15 O ATOM 191 CB VAL A 15 7.241 -0.825 0.718 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.758 -0.721 0.779 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.625 0.560 0.618 1.00 0.15 C ATOM 0 H VAL A 15 4.895 -2.106 0.331 1.00 0.13 H new ATOM 0 HA VAL A 15 7.130 -1.235 -1.391 1.00 0.13 H new ATOM 0 HB VAL A 15 6.892 -1.297 1.636 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.046 -0.094 1.623 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.186 -1.716 0.904 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.130 -0.279 -0.145 1.00 0.13 H new ATOM 0 HG21 VAL A 15 6.953 1.166 1.463 1.00 0.15 H new ATOM 0 HG22 VAL A 15 6.941 1.032 -0.312 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.538 0.477 0.632 1.00 0.15 H new ATOM 203 N LYS A 16 8.517 -3.313 -1.045 1.00 0.15 N ATOM 204 CA LYS A 16 9.253 -4.564 -0.959 1.00 0.17 C ATOM 205 C LYS A 16 10.601 -4.322 -0.300 1.00 0.16 C ATOM 206 O LYS A 16 11.145 -3.220 -0.368 1.00 0.24 O ATOM 207 CB LYS A 16 9.448 -5.178 -2.348 1.00 0.23 C ATOM 208 CG LYS A 16 8.161 -5.638 -3.007 1.00 0.26 C ATOM 209 CD LYS A 16 7.560 -6.831 -2.284 1.00 0.37 C ATOM 210 CE LYS A 16 6.258 -7.276 -2.930 1.00 0.48 C ATOM 211 NZ LYS A 16 6.440 -7.662 -4.354 1.00 0.62 N ATOM 0 H LYS A 16 8.921 -2.633 -1.689 1.00 0.15 H new ATOM 0 HA LYS A 16 8.677 -5.265 -0.355 1.00 0.17 H new ATOM 0 HB2 LYS A 16 9.932 -4.445 -2.993 1.00 0.23 H new ATOM 0 HB3 LYS A 16 10.126 -6.028 -2.266 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.443 -4.818 -3.017 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.357 -5.902 -4.046 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.271 -7.657 -2.290 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.380 -6.572 -1.241 1.00 0.37 H new ATOM 0 HE2 LYS A 16 5.850 -8.121 -2.376 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.528 -6.469 -2.865 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 5.591 -8.161 -4.690 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 6.590 -6.808 -4.929 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.266 -8.287 -4.441 1.00 0.62 H new ATOM 225 N PHE A 17 11.145 -5.355 0.312 1.00 0.17 N ATOM 226 CA PHE A 17 12.388 -5.241 1.053 1.00 0.17 C ATOM 227 C PHE A 17 13.213 -6.506 0.898 1.00 0.19 C ATOM 228 O PHE A 17 12.708 -7.525 0.440 1.00 0.21 O ATOM 229 CB PHE A 17 12.122 -4.928 2.532 1.00 0.17 C ATOM 230 CG PHE A 17 11.221 -5.899 3.253 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.726 -7.063 3.812 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.870 -5.624 3.399 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.900 -7.936 4.498 1.00 0.23 C ATOM 234 CE2 PHE A 17 9.042 -6.489 4.089 1.00 0.23 C ATOM 235 CZ PHE A 17 9.555 -7.646 4.638 1.00 0.25 C ATOM 0 H PHE A 17 10.742 -6.292 0.311 1.00 0.17 H new ATOM 0 HA PHE A 17 12.959 -4.409 0.641 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.078 -4.891 3.054 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.682 -3.933 2.601 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.777 -7.291 3.711 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.460 -4.723 2.968 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.305 -8.842 4.923 1.00 0.23 H new ATOM 0 HE2 PHE A 17 7.992 -6.259 4.199 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.908 -8.323 5.176 1.00 0.25 H new ATOM 245 N SER A 18 14.493 -6.420 1.207 1.00 0.22 N ATOM 246 CA SER A 18 15.372 -7.572 1.114 1.00 0.26 C ATOM 247 C SER A 18 14.800 -8.755 1.903 1.00 0.30 C ATOM 248 O SER A 18 14.801 -8.757 3.135 1.00 0.30 O ATOM 249 CB SER A 18 16.766 -7.190 1.631 1.00 0.29 C ATOM 250 OG SER A 18 16.693 -6.595 2.918 1.00 1.04 O ATOM 0 H SER A 18 14.948 -5.564 1.525 1.00 0.22 H new ATOM 0 HA SER A 18 15.452 -7.880 0.071 1.00 0.26 H new ATOM 0 HB2 SER A 18 17.396 -8.078 1.674 1.00 0.29 H new ATOM 0 HB3 SER A 18 17.238 -6.497 0.934 1.00 0.29 H new ATOM 0 HG SER A 18 16.411 -5.660 2.831 1.00 1.04 H new ATOM 256 N GLY A 19 14.318 -9.764 1.182 1.00 0.35 N ATOM 257 CA GLY A 19 13.742 -10.929 1.826 1.00 0.45 C ATOM 258 C GLY A 19 12.220 -10.921 1.830 1.00 0.42 C ATOM 259 O GLY A 19 11.597 -11.778 2.457 1.00 0.53 O ATOM 0 H GLY A 19 14.317 -9.794 0.162 1.00 0.35 H new ATOM 0 HA2 GLY A 19 14.093 -11.827 1.318 1.00 0.45 H new ATOM 0 HA3 GLY A 19 14.101 -10.983 2.854 1.00 0.45 H new ATOM 263 N SER A 20 11.613 -9.972 1.125 1.00 0.34 N ATOM 264 CA SER A 20 10.163 -9.846 1.098 1.00 0.41 C ATOM 265 C SER A 20 9.549 -10.764 0.041 1.00 0.40 C ATOM 266 O SER A 20 8.748 -10.317 -0.784 1.00 0.45 O ATOM 267 CB SER A 20 9.775 -8.388 0.823 1.00 0.51 C ATOM 268 OG SER A 20 10.236 -7.948 -0.445 1.00 0.70 O ATOM 0 H SER A 20 12.106 -9.278 0.564 1.00 0.34 H new ATOM 0 HA SER A 20 9.773 -10.147 2.071 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.691 -8.286 0.871 1.00 0.51 H new ATOM 0 HB3 SER A 20 10.190 -7.749 1.602 1.00 0.51 H new ATOM 0 HG SER A 20 11.211 -7.851 -0.423 1.00 0.70 H new ATOM 274 N ARG A 21 9.955 -12.037 0.059 1.00 0.43 N ATOM 275 CA ARG A 21 9.509 -13.047 -0.910 1.00 0.49 C ATOM 276 C ARG A 21 10.128 -12.794 -2.290 1.00 0.51 C ATOM 277 O ARG A 21 10.405 -13.726 -3.044 1.00 0.60 O ATOM 278 CB ARG A 21 7.978 -13.094 -1.001 1.00 0.58 C ATOM 279 CG ARG A 21 7.461 -14.179 -1.923 1.00 1.25 C ATOM 280 CD ARG A 21 5.945 -14.183 -1.982 1.00 1.25 C ATOM 281 NE ARG A 21 5.449 -15.149 -2.962 1.00 2.28 N ATOM 282 CZ ARG A 21 4.192 -15.207 -3.395 1.00 2.47 C ATOM 283 NH1 ARG A 21 3.281 -14.359 -2.934 1.00 1.89 N ATOM 284 NH2 ARG A 21 3.847 -16.118 -4.294 1.00 3.49 N ATOM 0 H ARG A 21 10.609 -12.401 0.753 1.00 0.43 H new ATOM 0 HA ARG A 21 9.853 -14.019 -0.556 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.567 -13.250 -0.003 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.613 -12.128 -1.349 1.00 0.58 H new ATOM 0 HG2 ARG A 21 7.865 -14.030 -2.924 1.00 1.25 H new ATOM 0 HG3 ARG A 21 7.815 -15.150 -1.578 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.542 -14.422 -0.998 1.00 1.25 H new ATOM 0 HD3 ARG A 21 5.587 -13.186 -2.239 1.00 1.25 H new ATOM 0 HE ARG A 21 6.113 -15.825 -3.340 1.00 2.28 H new ATOM 0 HH11 ARG A 21 3.542 -13.656 -2.243 1.00 1.89 H new ATOM 0 HH12 ARG A 21 2.320 -14.410 -3.271 1.00 1.89 H new ATOM 0 HH21 ARG A 21 4.544 -16.771 -4.651 1.00 3.49 H new ATOM 0 HH22 ARG A 21 2.885 -16.166 -4.628 1.00 3.49 H new ATOM 298 N ASN A 22 10.334 -11.528 -2.604 1.00 0.51 N ATOM 299 CA ASN A 22 11.008 -11.115 -3.820 1.00 0.62 C ATOM 300 C ASN A 22 11.687 -9.770 -3.582 1.00 0.58 C ATOM 301 O ASN A 22 11.031 -8.783 -3.254 1.00 0.64 O ATOM 302 CB ASN A 22 10.023 -11.039 -4.996 1.00 0.87 C ATOM 303 CG ASN A 22 8.775 -10.226 -4.690 1.00 0.93 C ATOM 304 OD1 ASN A 22 8.744 -9.009 -4.868 1.00 1.77 O ATOM 305 ND2 ASN A 22 7.725 -10.905 -4.249 1.00 0.80 N ATOM 0 H ASN A 22 10.035 -10.750 -2.016 1.00 0.51 H new ATOM 0 HA ASN A 22 11.764 -11.855 -4.082 1.00 0.62 H new ATOM 0 HB2 ASN A 22 10.530 -10.602 -5.856 1.00 0.87 H new ATOM 0 HB3 ASN A 22 9.728 -12.050 -5.279 1.00 0.87 H new ATOM 0 HD21 ASN A 22 6.852 -10.418 -4.045 1.00 0.80 H new ATOM 0 HD22 ASN A 22 7.790 -11.914 -4.114 1.00 0.80 H new ATOM 312 N PRO A 23 13.021 -9.721 -3.697 1.00 0.55 N ATOM 313 CA PRO A 23 13.789 -8.517 -3.405 1.00 0.61 C ATOM 314 C PRO A 23 13.880 -7.560 -4.593 1.00 0.79 C ATOM 315 O PRO A 23 14.970 -7.179 -5.009 1.00 1.71 O ATOM 316 CB PRO A 23 15.163 -9.078 -3.062 1.00 0.66 C ATOM 317 CG PRO A 23 15.291 -10.301 -3.910 1.00 0.73 C ATOM 318 CD PRO A 23 13.893 -10.838 -4.110 1.00 0.57 C ATOM 0 HA PRO A 23 13.333 -7.921 -2.615 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.952 -8.358 -3.282 1.00 0.66 H new ATOM 0 HB3 PRO A 23 15.239 -9.320 -2.002 1.00 0.66 H new ATOM 0 HG2 PRO A 23 15.754 -10.062 -4.867 1.00 0.73 H new ATOM 0 HG3 PRO A 23 15.925 -11.043 -3.426 1.00 0.73 H new ATOM 0 HD2 PRO A 23 13.718 -11.119 -5.149 1.00 0.57 H new ATOM 0 HD3 PRO A 23 13.716 -11.727 -3.505 1.00 0.57 H new ATOM 326 N VAL A 24 12.730 -7.162 -5.118 1.00 0.39 N ATOM 327 CA VAL A 24 12.650 -6.186 -6.204 1.00 0.36 C ATOM 328 C VAL A 24 11.390 -5.339 -6.039 1.00 0.32 C ATOM 329 O VAL A 24 10.282 -5.866 -6.073 1.00 0.35 O ATOM 330 CB VAL A 24 12.598 -6.840 -7.608 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.683 -5.771 -8.693 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.699 -7.877 -7.792 1.00 0.48 C ATOM 0 H VAL A 24 11.822 -7.505 -4.805 1.00 0.39 H new ATOM 0 HA VAL A 24 13.556 -5.583 -6.142 1.00 0.36 H new ATOM 0 HB VAL A 24 11.644 -7.360 -7.695 1.00 0.42 H new ATOM 0 HG11 VAL A 24 12.645 -6.245 -9.674 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.845 -5.081 -8.591 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.619 -5.222 -8.591 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.627 -8.311 -8.789 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.672 -7.400 -7.674 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.587 -8.663 -7.045 1.00 0.48 H new ATOM 342 N SER A 25 11.558 -4.043 -5.824 1.00 0.32 N ATOM 343 CA SER A 25 10.425 -3.136 -5.746 1.00 0.32 C ATOM 344 C SER A 25 10.317 -2.326 -7.036 1.00 0.32 C ATOM 345 O SER A 25 11.292 -2.210 -7.775 1.00 0.36 O ATOM 346 CB SER A 25 10.597 -2.206 -4.541 1.00 0.42 C ATOM 347 OG SER A 25 11.817 -1.488 -4.620 1.00 1.12 O ATOM 0 H SER A 25 12.467 -3.597 -5.701 1.00 0.32 H new ATOM 0 HA SER A 25 9.507 -3.710 -5.621 1.00 0.32 H new ATOM 0 HB2 SER A 25 9.762 -1.507 -4.496 1.00 0.42 H new ATOM 0 HB3 SER A 25 10.574 -2.790 -3.621 1.00 0.42 H new ATOM 0 HG SER A 25 11.902 -0.901 -3.840 1.00 1.12 H new ATOM 353 N ARG A 26 9.133 -1.775 -7.314 1.00 0.32 N ATOM 354 CA ARG A 26 8.964 -0.842 -8.429 1.00 0.34 C ATOM 355 C ARG A 26 9.636 0.482 -8.096 1.00 0.37 C ATOM 356 O ARG A 26 9.746 1.374 -8.936 1.00 0.44 O ATOM 357 CB ARG A 26 7.487 -0.610 -8.755 1.00 0.39 C ATOM 358 CG ARG A 26 6.781 -1.814 -9.373 1.00 0.52 C ATOM 359 CD ARG A 26 7.442 -2.277 -10.658 1.00 0.82 C ATOM 360 NE ARG A 26 8.646 -3.073 -10.408 1.00 1.21 N ATOM 361 CZ ARG A 26 9.596 -3.300 -11.316 1.00 1.88 C ATOM 362 NH1 ARG A 26 9.480 -2.802 -12.541 1.00 2.47 N ATOM 363 NH2 ARG A 26 10.653 -4.038 -10.999 1.00 2.54 N ATOM 0 H ARG A 26 8.281 -1.958 -6.784 1.00 0.32 H new ATOM 0 HA ARG A 26 9.432 -1.283 -9.309 1.00 0.34 H new ATOM 0 HB2 ARG A 26 6.965 -0.328 -7.840 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.407 0.234 -9.440 1.00 0.39 H new ATOM 0 HG2 ARG A 26 6.773 -2.635 -8.656 1.00 0.52 H new ATOM 0 HG3 ARG A 26 5.741 -1.557 -9.575 1.00 0.52 H new ATOM 0 HD2 ARG A 26 6.732 -2.868 -11.237 1.00 0.82 H new ATOM 0 HD3 ARG A 26 7.702 -1.409 -11.263 1.00 0.82 H new ATOM 0 HE ARG A 26 8.765 -3.480 -9.480 1.00 1.21 H new ATOM 0 HH11 ARG A 26 8.663 -2.244 -12.790 1.00 2.47 H new ATOM 0 HH12 ARG A 26 10.208 -2.977 -13.234 1.00 2.47 H new ATOM 0 HH21 ARG A 26 10.738 -4.431 -10.062 1.00 2.54 H new ATOM 0 HH22 ARG A 26 11.380 -4.212 -11.693 1.00 2.54 H new ATOM 377 N ARG A 27 10.092 0.589 -6.857 1.00 0.36 N ATOM 378 CA ARG A 27 10.779 1.773 -6.389 1.00 0.44 C ATOM 379 C ARG A 27 12.235 1.738 -6.826 1.00 0.53 C ATOM 380 O ARG A 27 12.824 2.767 -7.151 1.00 0.73 O ATOM 381 CB ARG A 27 10.683 1.853 -4.866 1.00 0.52 C ATOM 382 CG ARG A 27 10.721 3.269 -4.329 1.00 0.55 C ATOM 383 CD ARG A 27 12.128 3.779 -4.074 1.00 0.70 C ATOM 384 NE ARG A 27 12.686 3.227 -2.841 1.00 0.91 N ATOM 385 CZ ARG A 27 13.982 3.023 -2.624 1.00 1.12 C ATOM 386 NH1 ARG A 27 14.879 3.353 -3.548 1.00 1.77 N ATOM 387 NH2 ARG A 27 14.379 2.514 -1.465 1.00 1.63 N ATOM 0 H ARG A 27 9.994 -0.143 -6.153 1.00 0.36 H new ATOM 0 HA ARG A 27 10.309 2.657 -6.821 1.00 0.44 H new ATOM 0 HB2 ARG A 27 9.758 1.376 -4.543 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.504 1.285 -4.428 1.00 0.52 H new ATOM 0 HG2 ARG A 27 10.225 3.932 -5.038 1.00 0.55 H new ATOM 0 HG3 ARG A 27 10.153 3.313 -3.400 1.00 0.55 H new ATOM 0 HD2 ARG A 27 12.769 3.514 -4.915 1.00 0.70 H new ATOM 0 HD3 ARG A 27 12.116 4.867 -4.013 1.00 0.70 H new ATOM 0 HE ARG A 27 12.036 2.981 -2.095 1.00 0.91 H new ATOM 0 HH11 ARG A 27 14.575 3.765 -4.430 1.00 1.77 H new ATOM 0 HH12 ARG A 27 15.872 3.194 -3.375 1.00 1.77 H new ATOM 0 HH21 ARG A 27 13.692 2.282 -0.748 1.00 1.63 H new ATOM 0 HH22 ARG A 27 15.371 2.355 -1.291 1.00 1.63 H new ATOM 401 N THR A 28 12.811 0.545 -6.830 1.00 0.45 N ATOM 402 CA THR A 28 14.196 0.378 -7.231 1.00 0.53 C ATOM 403 C THR A 28 14.286 -0.160 -8.654 1.00 0.55 C ATOM 404 O THR A 28 15.186 0.193 -9.415 1.00 0.67 O ATOM 405 CB THR A 28 14.921 -0.582 -6.273 1.00 0.55 C ATOM 406 OG1 THR A 28 14.324 -1.884 -6.331 1.00 0.55 O ATOM 407 CG2 THR A 28 14.847 -0.072 -4.846 1.00 0.53 C ATOM 0 H THR A 28 12.340 -0.319 -6.560 1.00 0.45 H new ATOM 0 HA THR A 28 14.676 1.356 -7.192 1.00 0.53 H new ATOM 0 HB THR A 28 15.965 -0.640 -6.582 1.00 0.55 H new ATOM 0 HG1 THR A 28 13.503 -1.892 -5.795 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.366 -0.766 -4.184 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.318 0.909 -4.785 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.803 0.008 -4.542 1.00 0.53 H new ATOM 415 N GLY A 29 13.336 -1.010 -9.008 1.00 0.47 N ATOM 416 CA GLY A 29 13.267 -1.553 -10.351 1.00 0.52 C ATOM 417 C GLY A 29 14.132 -2.784 -10.537 1.00 0.58 C ATOM 418 O GLY A 29 13.695 -3.767 -11.137 1.00 0.82 O ATOM 0 H GLY A 29 12.601 -1.338 -8.381 1.00 0.47 H new ATOM 0 HA2 GLY A 29 12.232 -1.805 -10.583 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.576 -0.788 -11.063 1.00 0.52 H new ATOM 422 N ASP A 30 15.353 -2.739 -10.020 1.00 0.53 N ATOM 423 CA ASP A 30 16.292 -3.842 -10.181 1.00 0.58 C ATOM 424 C ASP A 30 16.195 -4.792 -8.999 1.00 0.55 C ATOM 425 O ASP A 30 15.846 -5.960 -9.158 1.00 0.84 O ATOM 426 CB ASP A 30 17.730 -3.334 -10.302 1.00 0.67 C ATOM 427 CG ASP A 30 17.907 -2.268 -11.362 1.00 1.31 C ATOM 428 OD1 ASP A 30 17.697 -2.577 -12.554 1.00 1.69 O ATOM 429 OD2 ASP A 30 18.242 -1.116 -11.014 1.00 2.10 O ATOM 0 H ASP A 30 15.717 -1.950 -9.485 1.00 0.53 H new ATOM 0 HA ASP A 30 16.029 -4.368 -11.099 1.00 0.58 H new ATOM 0 HB2 ASP A 30 18.048 -2.934 -9.339 1.00 0.67 H new ATOM 0 HB3 ASP A 30 18.386 -4.174 -10.530 1.00 0.67 H new ATOM 434 N SER A 31 16.532 -4.296 -7.815 1.00 0.53 N ATOM 435 CA SER A 31 16.408 -5.072 -6.590 1.00 0.50 C ATOM 436 C SER A 31 16.210 -4.154 -5.390 1.00 0.42 C ATOM 437 O SER A 31 16.645 -3.006 -5.398 1.00 0.48 O ATOM 438 CB SER A 31 17.639 -5.934 -6.365 1.00 0.62 C ATOM 439 OG SER A 31 17.917 -6.749 -7.491 1.00 1.08 O ATOM 0 H SER A 31 16.896 -3.353 -7.678 1.00 0.53 H new ATOM 0 HA SER A 31 15.537 -5.719 -6.697 1.00 0.50 H new ATOM 0 HB2 SER A 31 18.498 -5.296 -6.156 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.488 -6.563 -5.488 1.00 0.62 H new ATOM 0 HG SER A 31 18.715 -7.290 -7.315 1.00 1.08 H new ATOM 445 N THR A 32 15.533 -4.659 -4.374 1.00 0.34 N ATOM 446 CA THR A 32 15.340 -3.920 -3.133 1.00 0.29 C ATOM 447 C THR A 32 16.060 -4.656 -2.000 1.00 0.27 C ATOM 448 O THR A 32 15.631 -4.665 -0.849 1.00 0.28 O ATOM 449 CB THR A 32 13.829 -3.728 -2.827 1.00 0.27 C ATOM 450 OG1 THR A 32 13.626 -2.902 -1.682 1.00 0.27 O ATOM 451 CG2 THR A 32 13.127 -5.057 -2.619 1.00 0.29 C ATOM 0 H THR A 32 15.104 -5.584 -4.382 1.00 0.34 H new ATOM 0 HA THR A 32 15.767 -2.922 -3.232 1.00 0.29 H new ATOM 0 HB THR A 32 13.398 -3.235 -3.698 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.755 -3.107 -1.281 1.00 0.27 H new ATOM 0 HG21 THR A 32 12.072 -4.882 -2.407 1.00 0.29 H new ATOM 0 HG22 THR A 32 13.221 -5.663 -3.520 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.583 -5.582 -1.780 1.00 0.29 H new ATOM 459 N ALA A 33 17.187 -5.264 -2.354 1.00 0.31 N ATOM 460 CA ALA A 33 17.919 -6.140 -1.451 1.00 0.32 C ATOM 461 C ALA A 33 18.783 -5.356 -0.464 1.00 0.34 C ATOM 462 O ALA A 33 19.373 -5.933 0.449 1.00 0.37 O ATOM 463 CB ALA A 33 18.770 -7.112 -2.253 1.00 0.37 C ATOM 0 H ALA A 33 17.617 -5.163 -3.273 1.00 0.31 H new ATOM 0 HA ALA A 33 17.190 -6.697 -0.863 1.00 0.32 H new ATOM 0 HB1 ALA A 33 19.316 -7.765 -1.572 1.00 0.37 H new ATOM 0 HB2 ALA A 33 18.127 -7.713 -2.896 1.00 0.37 H new ATOM 0 HB3 ALA A 33 19.478 -6.555 -2.867 1.00 0.37 H new ATOM 469 N ASP A 34 18.846 -4.045 -0.641 1.00 0.35 N ATOM 470 CA ASP A 34 19.660 -3.192 0.228 1.00 0.40 C ATOM 471 C ASP A 34 18.818 -2.628 1.362 1.00 0.36 C ATOM 472 O ASP A 34 19.330 -2.264 2.421 1.00 0.43 O ATOM 473 CB ASP A 34 20.285 -2.034 -0.554 1.00 0.49 C ATOM 474 CG ASP A 34 21.260 -2.493 -1.618 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.400 -2.859 -1.264 1.00 1.31 O ATOM 476 OD2 ASP A 34 20.888 -2.511 -2.811 1.00 2.21 O ATOM 0 H ASP A 34 18.346 -3.544 -1.376 1.00 0.35 H new ATOM 0 HA ASP A 34 20.458 -3.812 0.636 1.00 0.40 H new ATOM 0 HB2 ASP A 34 19.493 -1.451 -1.023 1.00 0.49 H new ATOM 0 HB3 ASP A 34 20.800 -1.371 0.141 1.00 0.49 H new ATOM 481 N VAL A 35 17.519 -2.560 1.132 1.00 0.31 N ATOM 482 CA VAL A 35 16.590 -2.027 2.113 1.00 0.28 C ATOM 483 C VAL A 35 15.934 -3.167 2.888 1.00 0.25 C ATOM 484 O VAL A 35 15.539 -4.180 2.312 1.00 0.25 O ATOM 485 CB VAL A 35 15.536 -1.097 1.446 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.433 -1.365 -0.048 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.170 -1.235 2.102 1.00 0.26 C ATOM 0 H VAL A 35 17.080 -2.871 0.265 1.00 0.31 H new ATOM 0 HA VAL A 35 17.146 -1.414 2.822 1.00 0.28 H new ATOM 0 HB VAL A 35 15.877 -0.072 1.591 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.689 -0.700 -0.486 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.400 -1.186 -0.517 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.136 -2.401 -0.212 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.461 -0.570 1.609 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.825 -2.265 2.011 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.244 -0.969 3.156 1.00 0.26 H new ATOM 497 N THR A 36 15.848 -3.004 4.200 1.00 0.25 N ATOM 498 CA THR A 36 15.330 -4.046 5.073 1.00 0.27 C ATOM 499 C THR A 36 13.860 -3.807 5.347 1.00 0.23 C ATOM 500 O THR A 36 13.310 -2.821 4.872 1.00 0.20 O ATOM 501 CB THR A 36 16.081 -4.061 6.411 1.00 0.31 C ATOM 502 OG1 THR A 36 15.967 -2.776 7.036 1.00 0.30 O ATOM 503 CG2 THR A 36 17.548 -4.407 6.208 1.00 0.39 C ATOM 0 H THR A 36 16.133 -2.153 4.686 1.00 0.25 H new ATOM 0 HA THR A 36 15.469 -5.004 4.571 1.00 0.27 H new ATOM 0 HB THR A 36 15.637 -4.823 7.051 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.695 -2.197 6.728 1.00 0.30 H new ATOM 0 HG21 THR A 36 18.058 -4.411 7.172 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.629 -5.393 5.750 1.00 0.39 H new ATOM 0 HG23 THR A 36 18.010 -3.665 5.556 1.00 0.39 H new ATOM 511 N TYR A 37 13.223 -4.674 6.121 1.00 0.26 N ATOM 512 CA TYR A 37 11.833 -4.445 6.478 1.00 0.27 C ATOM 513 C TYR A 37 11.722 -3.157 7.293 1.00 0.23 C ATOM 514 O TYR A 37 10.735 -2.437 7.197 1.00 0.23 O ATOM 515 CB TYR A 37 11.238 -5.639 7.242 1.00 0.38 C ATOM 516 CG TYR A 37 11.593 -5.705 8.710 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.831 -6.169 9.134 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.675 -5.311 9.674 1.00 1.16 C ATOM 519 CE1 TYR A 37 13.143 -6.239 10.478 1.00 0.74 C ATOM 520 CE2 TYR A 37 10.981 -5.375 11.019 1.00 1.53 C ATOM 521 CZ TYR A 37 12.215 -5.840 11.415 1.00 1.12 C ATOM 522 OH TYR A 37 12.519 -5.912 12.755 1.00 1.50 O ATOM 0 H TYR A 37 13.636 -5.524 6.506 1.00 0.26 H new ATOM 0 HA TYR A 37 11.253 -4.338 5.562 1.00 0.27 H new ATOM 0 HB2 TYR A 37 10.153 -5.605 7.148 1.00 0.38 H new ATOM 0 HB3 TYR A 37 11.571 -6.559 6.762 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.561 -6.480 8.402 1.00 0.68 H new ATOM 0 HD2 TYR A 37 9.705 -4.948 9.367 1.00 1.16 H new ATOM 0 HE1 TYR A 37 14.109 -6.605 10.793 1.00 0.74 H new ATOM 0 HE2 TYR A 37 10.256 -5.062 11.756 1.00 1.53 H new ATOM 0 HH TYR A 37 11.757 -5.592 13.281 1.00 1.50 H new ATOM 532 N GLU A 38 12.773 -2.853 8.052 1.00 0.23 N ATOM 533 CA GLU A 38 12.812 -1.639 8.854 1.00 0.24 C ATOM 534 C GLU A 38 12.979 -0.418 7.967 1.00 0.24 C ATOM 535 O GLU A 38 12.271 0.571 8.125 1.00 0.26 O ATOM 536 CB GLU A 38 13.950 -1.692 9.870 1.00 0.29 C ATOM 537 CG GLU A 38 13.773 -2.757 10.930 1.00 0.35 C ATOM 538 CD GLU A 38 14.865 -2.712 11.974 1.00 0.67 C ATOM 539 OE1 GLU A 38 14.755 -1.906 12.917 1.00 0.93 O ATOM 540 OE2 GLU A 38 15.836 -3.484 11.854 1.00 0.96 O ATOM 0 H GLU A 38 13.608 -3.434 8.126 1.00 0.23 H new ATOM 0 HA GLU A 38 11.866 -1.565 9.390 1.00 0.24 H new ATOM 0 HB2 GLU A 38 14.887 -1.870 9.343 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.037 -0.720 10.356 1.00 0.29 H new ATOM 0 HG2 GLU A 38 12.805 -2.628 11.414 1.00 0.35 H new ATOM 0 HG3 GLU A 38 13.765 -3.739 10.458 1.00 0.35 H new ATOM 547 N ASP A 39 13.910 -0.494 7.021 1.00 0.24 N ATOM 548 CA ASP A 39 14.124 0.607 6.085 1.00 0.26 C ATOM 549 C ASP A 39 12.915 0.754 5.175 1.00 0.22 C ATOM 550 O ASP A 39 12.619 1.839 4.678 1.00 0.23 O ATOM 551 CB ASP A 39 15.380 0.389 5.240 1.00 0.31 C ATOM 552 CG ASP A 39 16.654 0.414 6.056 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.080 1.512 6.474 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.245 -0.663 6.270 1.00 0.82 O ATOM 0 H ASP A 39 14.523 -1.297 6.882 1.00 0.24 H new ATOM 0 HA ASP A 39 14.261 1.518 6.667 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.303 -0.569 4.726 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.432 1.160 4.471 1.00 0.31 H new ATOM 559 N ALA A 40 12.224 -0.354 4.962 1.00 0.19 N ATOM 560 CA ALA A 40 11.000 -0.360 4.176 1.00 0.18 C ATOM 561 C ALA A 40 9.879 0.326 4.938 1.00 0.16 C ATOM 562 O ALA A 40 9.124 1.112 4.371 1.00 0.17 O ATOM 563 CB ALA A 40 10.605 -1.781 3.810 1.00 0.18 C ATOM 0 H ALA A 40 12.493 -1.268 5.326 1.00 0.19 H new ATOM 0 HA ALA A 40 11.180 0.192 3.254 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.687 -1.764 3.222 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.402 -2.241 3.225 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.443 -2.359 4.720 1.00 0.18 H new ATOM 569 N ILE A 41 9.777 0.030 6.230 1.00 0.16 N ATOM 570 CA ILE A 41 8.822 0.715 7.087 1.00 0.18 C ATOM 571 C ILE A 41 9.192 2.180 7.186 1.00 0.20 C ATOM 572 O ILE A 41 8.327 3.051 7.184 1.00 0.21 O ATOM 573 CB ILE A 41 8.752 0.095 8.506 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.221 -1.338 8.440 1.00 0.24 C ATOM 575 CG2 ILE A 41 7.874 0.944 9.419 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.232 -2.061 9.770 1.00 0.30 C ATOM 0 H ILE A 41 10.342 -0.676 6.702 1.00 0.16 H new ATOM 0 HA ILE A 41 7.836 0.604 6.636 1.00 0.18 H new ATOM 0 HB ILE A 41 9.760 0.072 8.919 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.201 -1.319 8.057 1.00 0.24 H new ATOM 0 HG13 ILE A 41 8.819 -1.904 7.726 1.00 0.24 H new ATOM 0 HG21 ILE A 41 7.837 0.493 10.411 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.290 1.949 9.493 1.00 0.27 H new ATOM 0 HG23 ILE A 41 6.866 0.998 9.007 1.00 0.27 H new ATOM 0 HD11 ILE A 41 7.841 -3.070 9.639 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.253 -2.114 10.147 1.00 0.30 H new ATOM 0 HD13 ILE A 41 7.610 -1.520 10.483 1.00 0.30 H new ATOM 588 N LYS A 42 10.489 2.441 7.223 1.00 0.22 N ATOM 589 CA LYS A 42 10.999 3.796 7.264 1.00 0.28 C ATOM 590 C LYS A 42 10.576 4.556 6.012 1.00 0.28 C ATOM 591 O LYS A 42 10.407 5.774 6.034 1.00 0.37 O ATOM 592 CB LYS A 42 12.523 3.773 7.373 1.00 0.31 C ATOM 593 CG LYS A 42 13.146 5.143 7.570 1.00 0.85 C ATOM 594 CD LYS A 42 14.662 5.064 7.593 1.00 1.14 C ATOM 595 CE LYS A 42 15.284 6.437 7.782 1.00 1.46 C ATOM 596 NZ LYS A 42 14.883 7.056 9.074 1.00 2.32 N ATOM 0 H LYS A 42 11.212 1.721 7.225 1.00 0.22 H new ATOM 0 HA LYS A 42 10.587 4.303 8.137 1.00 0.28 H new ATOM 0 HB2 LYS A 42 12.808 3.132 8.207 1.00 0.31 H new ATOM 0 HB3 LYS A 42 12.935 3.324 6.470 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.827 5.808 6.768 1.00 0.85 H new ATOM 0 HG3 LYS A 42 12.788 5.576 8.504 1.00 0.85 H new ATOM 0 HD2 LYS A 42 14.982 4.404 8.399 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.020 4.626 6.661 1.00 1.14 H new ATOM 0 HE2 LYS A 42 16.370 6.352 7.742 1.00 1.46 H new ATOM 0 HE3 LYS A 42 14.985 7.087 6.960 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 15.500 7.868 9.276 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 13.896 7.378 9.013 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 14.972 6.355 9.837 1.00 2.32 H new ATOM 610 N GLU A 43 10.386 3.817 4.929 1.00 0.22 N ATOM 611 CA GLU A 43 10.015 4.410 3.657 1.00 0.25 C ATOM 612 C GLU A 43 8.503 4.527 3.557 1.00 0.18 C ATOM 613 O GLU A 43 7.971 5.591 3.234 1.00 0.18 O ATOM 614 CB GLU A 43 10.576 3.580 2.499 1.00 0.33 C ATOM 615 CG GLU A 43 10.130 4.059 1.127 1.00 0.34 C ATOM 616 CD GLU A 43 10.987 3.511 0.004 1.00 0.55 C ATOM 617 OE1 GLU A 43 12.056 2.942 0.296 1.00 1.02 O ATOM 618 OE2 GLU A 43 10.579 3.614 -1.176 1.00 0.94 O ATOM 0 H GLU A 43 10.484 2.802 4.908 1.00 0.22 H new ATOM 0 HA GLU A 43 10.442 5.411 3.595 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.665 3.600 2.544 1.00 0.33 H new ATOM 0 HB3 GLU A 43 10.271 2.542 2.628 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.094 3.764 0.964 1.00 0.34 H new ATOM 0 HG3 GLU A 43 10.159 5.148 1.101 1.00 0.34 H new ATOM 625 N LEU A 44 7.816 3.438 3.875 1.00 0.16 N ATOM 626 CA LEU A 44 6.363 3.409 3.807 1.00 0.15 C ATOM 627 C LEU A 44 5.775 4.444 4.760 1.00 0.14 C ATOM 628 O LEU A 44 4.770 5.079 4.456 1.00 0.16 O ATOM 629 CB LEU A 44 5.821 2.018 4.148 1.00 0.13 C ATOM 630 CG LEU A 44 4.322 1.830 3.890 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.011 1.987 2.413 1.00 0.17 C ATOM 632 CD2 LEU A 44 3.855 0.472 4.377 1.00 0.14 C ATOM 0 H LEU A 44 8.242 2.564 4.182 1.00 0.16 H new ATOM 0 HA LEU A 44 6.067 3.648 2.786 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.371 1.277 3.567 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.023 1.813 5.199 1.00 0.13 H new ATOM 0 HG LEU A 44 3.787 2.600 4.446 1.00 0.15 H new ATOM 0 HD11 LEU A 44 2.942 1.850 2.250 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.304 2.984 2.084 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.564 1.240 1.843 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.788 0.363 4.183 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.402 -0.311 3.851 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.039 0.386 5.448 1.00 0.14 H new ATOM 644 N GLN A 45 6.422 4.610 5.911 1.00 0.14 N ATOM 645 CA GLN A 45 5.992 5.583 6.910 1.00 0.14 C ATOM 646 C GLN A 45 6.092 7.008 6.395 1.00 0.17 C ATOM 647 O GLN A 45 5.245 7.833 6.711 1.00 0.27 O ATOM 648 CB GLN A 45 6.807 5.428 8.193 1.00 0.16 C ATOM 649 CG GLN A 45 6.134 4.538 9.221 1.00 0.22 C ATOM 650 CD GLN A 45 5.085 5.282 10.022 1.00 0.36 C ATOM 651 OE1 GLN A 45 3.856 5.291 9.532 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 5.379 5.851 11.072 1.00 0.44 N flip ATOM 0 H GLN A 45 7.252 4.079 6.175 1.00 0.14 H new ATOM 0 HA GLN A 45 4.942 5.383 7.126 1.00 0.14 H new ATOM 0 HB2 GLN A 45 7.785 5.014 7.947 1.00 0.16 H new ATOM 0 HB3 GLN A 45 6.978 6.412 8.629 1.00 0.16 H new ATOM 0 HG2 GLN A 45 5.670 3.690 8.717 1.00 0.22 H new ATOM 0 HG3 GLN A 45 6.887 4.134 9.898 1.00 0.22 H new ATOM 0 HE21 GLN A 45 6.338 5.821 11.417 1.00 0.44 H new ATOM 0 HE22 GLN A 45 4.663 6.353 11.598 1.00 0.44 H new ATOM 661 N LYS A 46 7.111 7.298 5.597 1.00 0.14 N ATOM 662 CA LYS A 46 7.276 8.641 5.053 1.00 0.17 C ATOM 663 C LYS A 46 6.184 8.941 4.036 1.00 0.18 C ATOM 664 O LYS A 46 5.578 10.010 4.060 1.00 0.21 O ATOM 665 CB LYS A 46 8.651 8.808 4.403 1.00 0.22 C ATOM 666 CG LYS A 46 9.808 8.816 5.390 1.00 0.27 C ATOM 667 CD LYS A 46 11.130 9.061 4.678 1.00 0.39 C ATOM 668 CE LYS A 46 12.288 9.158 5.654 1.00 0.49 C ATOM 669 NZ LYS A 46 13.567 9.480 4.964 1.00 1.31 N ATOM 0 H LYS A 46 7.829 6.631 5.314 1.00 0.14 H new ATOM 0 HA LYS A 46 7.198 9.347 5.880 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.803 8.000 3.688 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.663 9.740 3.838 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.646 9.590 6.140 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.846 7.863 5.919 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.317 8.252 3.971 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.065 9.982 4.099 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.073 9.925 6.398 1.00 0.49 H new ATOM 0 HE3 LYS A 46 12.392 8.215 6.190 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 14.334 9.538 5.664 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 13.785 8.735 4.272 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 13.477 10.393 4.473 1.00 1.31 H new ATOM 683 N TRP A 47 5.938 7.999 3.139 1.00 0.16 N ATOM 684 CA TRP A 47 4.880 8.157 2.153 1.00 0.19 C ATOM 685 C TRP A 47 3.508 8.179 2.816 1.00 0.19 C ATOM 686 O TRP A 47 2.697 9.048 2.520 1.00 0.22 O ATOM 687 CB TRP A 47 4.985 7.063 1.093 1.00 0.20 C ATOM 688 CG TRP A 47 6.309 7.113 0.402 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.244 6.122 0.325 1.00 0.18 C ATOM 690 CD2 TRP A 47 6.866 8.246 -0.270 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.346 6.572 -0.361 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.135 7.872 -0.734 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.408 9.543 -0.527 1.00 0.41 C ATOM 694 CZ2 TRP A 47 8.955 8.747 -1.432 1.00 0.43 C ATOM 695 CZ3 TRP A 47 7.223 10.409 -1.226 1.00 0.52 C ATOM 696 CH2 TRP A 47 8.486 10.008 -1.671 1.00 0.52 C ATOM 0 H TRP A 47 6.453 7.121 3.073 1.00 0.16 H new ATOM 0 HA TRP A 47 5.004 9.119 1.656 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.850 6.087 1.558 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.185 7.181 0.363 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.134 5.132 0.741 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.185 6.026 -0.560 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.434 9.860 -0.184 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 9.932 8.441 -1.775 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 6.880 11.412 -1.433 1.00 0.52 H new ATOM 0 HH2 TRP A 47 9.103 10.708 -2.214 1.00 0.52 H new ATOM 707 N SER A 48 3.269 7.247 3.733 1.00 0.17 N ATOM 708 CA SER A 48 2.036 7.230 4.512 1.00 0.19 C ATOM 709 C SER A 48 1.880 8.552 5.269 1.00 0.20 C ATOM 710 O SER A 48 0.775 9.070 5.415 1.00 0.28 O ATOM 711 CB SER A 48 2.055 6.035 5.483 1.00 0.23 C ATOM 712 OG SER A 48 0.872 5.947 6.264 1.00 0.82 O ATOM 0 H SER A 48 3.916 6.491 3.955 1.00 0.17 H new ATOM 0 HA SER A 48 1.182 7.118 3.844 1.00 0.19 H new ATOM 0 HB2 SER A 48 2.181 5.113 4.916 1.00 0.23 H new ATOM 0 HB3 SER A 48 2.917 6.123 6.144 1.00 0.23 H new ATOM 0 HG SER A 48 0.932 5.173 6.862 1.00 0.82 H new ATOM 718 N GLN A 49 3.008 9.105 5.714 1.00 0.17 N ATOM 719 CA GLN A 49 3.024 10.393 6.393 1.00 0.17 C ATOM 720 C GLN A 49 2.602 11.501 5.442 1.00 0.18 C ATOM 721 O GLN A 49 1.659 12.233 5.715 1.00 0.21 O ATOM 722 CB GLN A 49 4.426 10.704 6.921 1.00 0.19 C ATOM 723 CG GLN A 49 4.447 11.824 7.942 1.00 0.23 C ATOM 724 CD GLN A 49 5.851 12.297 8.259 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.505 11.776 9.164 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.324 13.286 7.517 1.00 0.45 N ATOM 0 H GLN A 49 3.927 8.674 5.614 1.00 0.17 H new ATOM 0 HA GLN A 49 2.324 10.340 7.226 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.845 9.804 7.371 1.00 0.19 H new ATOM 0 HB3 GLN A 49 5.071 10.972 6.084 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.861 12.663 7.567 1.00 0.23 H new ATOM 0 HG3 GLN A 49 3.966 11.484 8.859 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.749 13.689 6.777 1.00 0.45 H new ATOM 0 HE22 GLN A 49 7.264 13.645 7.685 1.00 0.45 H new ATOM 735 N ARG A 50 3.306 11.608 4.320 1.00 0.16 N ATOM 736 CA ARG A 50 3.065 12.675 3.354 1.00 0.16 C ATOM 737 C ARG A 50 1.658 12.601 2.776 1.00 0.14 C ATOM 738 O ARG A 50 0.997 13.625 2.606 1.00 0.15 O ATOM 739 CB ARG A 50 4.087 12.617 2.224 1.00 0.15 C ATOM 740 CG ARG A 50 5.508 12.892 2.662 1.00 0.19 C ATOM 741 CD ARG A 50 6.470 12.729 1.503 1.00 0.20 C ATOM 742 NE ARG A 50 7.848 13.023 1.884 1.00 0.27 N ATOM 743 CZ ARG A 50 8.819 13.294 1.016 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.557 13.333 -0.286 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.049 13.538 1.449 1.00 0.42 N ATOM 0 H ARG A 50 4.052 10.965 4.056 1.00 0.16 H new ATOM 0 HA ARG A 50 3.167 13.621 3.885 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.045 11.631 1.761 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.808 13.341 1.458 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.581 13.904 3.061 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.783 12.211 3.467 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.410 11.709 1.124 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.171 13.390 0.689 1.00 0.20 H new ATOM 0 HE ARG A 50 8.081 13.021 2.877 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.610 13.155 -0.621 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.303 13.541 -0.950 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.251 13.518 2.449 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.793 13.746 0.782 1.00 0.42 H new ATOM 759 N ILE A 51 1.215 11.392 2.458 1.00 0.13 N ATOM 760 CA ILE A 51 -0.140 11.173 1.967 1.00 0.13 C ATOM 761 C ILE A 51 -1.170 11.627 3.004 1.00 0.16 C ATOM 762 O ILE A 51 -2.230 12.156 2.658 1.00 0.20 O ATOM 763 CB ILE A 51 -0.370 9.681 1.618 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.559 9.248 0.479 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.819 9.433 1.229 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.518 7.760 0.197 1.00 0.13 C ATOM 0 H ILE A 51 1.777 10.544 2.532 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.264 11.766 1.061 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.143 9.089 2.504 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.286 9.789 -0.427 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.581 9.535 0.726 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.956 8.379 0.988 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.470 9.703 2.060 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -2.071 10.039 0.359 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.200 7.526 -0.621 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.820 7.212 1.090 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.495 7.470 -0.081 1.00 0.13 H new ATOM 778 N ALA A 52 -0.838 11.435 4.275 1.00 0.16 N ATOM 779 CA ALA A 52 -1.722 11.819 5.366 1.00 0.20 C ATOM 780 C ALA A 52 -1.634 13.316 5.659 1.00 0.22 C ATOM 781 O ALA A 52 -2.642 13.963 5.941 1.00 0.27 O ATOM 782 CB ALA A 52 -1.389 11.014 6.615 1.00 0.21 C ATOM 0 H ALA A 52 0.041 11.014 4.575 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.746 11.602 5.062 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.055 11.308 7.426 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.517 9.951 6.408 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.356 11.205 6.907 1.00 0.21 H new ATOM 788 N SER A 53 -0.427 13.865 5.587 1.00 0.22 N ATOM 789 CA SER A 53 -0.201 15.267 5.917 1.00 0.26 C ATOM 790 C SER A 53 -0.670 16.188 4.793 1.00 0.28 C ATOM 791 O SER A 53 -1.089 17.318 5.040 1.00 0.35 O ATOM 792 CB SER A 53 1.284 15.505 6.206 1.00 0.28 C ATOM 793 OG SER A 53 2.086 15.109 5.103 1.00 0.26 O ATOM 0 H SER A 53 0.412 13.359 5.302 1.00 0.22 H new ATOM 0 HA SER A 53 -0.785 15.501 6.807 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.452 16.560 6.422 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.580 14.947 7.094 1.00 0.28 H new ATOM 0 HG SER A 53 3.024 15.324 5.287 1.00 0.26 H new ATOM 799 N GLY A 54 -0.609 15.699 3.563 1.00 0.25 N ATOM 800 CA GLY A 54 -1.031 16.498 2.432 1.00 0.28 C ATOM 801 C GLY A 54 0.141 16.993 1.615 1.00 0.26 C ATOM 802 O GLY A 54 -0.017 17.845 0.740 1.00 0.30 O ATOM 0 H GLY A 54 -0.275 14.764 3.328 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.691 15.906 1.797 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.610 17.350 2.787 1.00 0.28 H new ATOM 806 N GLU A 55 1.323 16.466 1.910 1.00 0.23 N ATOM 807 CA GLU A 55 2.524 16.799 1.156 1.00 0.23 C ATOM 808 C GLU A 55 2.415 16.257 -0.265 1.00 0.20 C ATOM 809 O GLU A 55 2.581 16.992 -1.240 1.00 0.24 O ATOM 810 CB GLU A 55 3.757 16.228 1.854 1.00 0.24 C ATOM 811 CG GLU A 55 4.043 16.878 3.198 1.00 0.42 C ATOM 812 CD GLU A 55 5.129 16.160 3.971 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.302 16.224 3.550 1.00 0.54 O ATOM 814 OE2 GLU A 55 4.814 15.525 4.999 1.00 0.65 O ATOM 0 H GLU A 55 1.475 15.803 2.670 1.00 0.23 H new ATOM 0 HA GLU A 55 2.625 17.883 1.108 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.620 15.156 1.998 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.624 16.354 1.206 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.339 17.915 3.040 1.00 0.42 H new ATOM 0 HG3 GLU A 55 3.129 16.894 3.792 1.00 0.42 H new ATOM 821 N VAL A 56 2.111 14.973 -0.373 1.00 0.17 N ATOM 822 CA VAL A 56 1.873 14.349 -1.666 1.00 0.15 C ATOM 823 C VAL A 56 0.600 13.532 -1.613 1.00 0.15 C ATOM 824 O VAL A 56 0.170 13.112 -0.539 1.00 0.19 O ATOM 825 CB VAL A 56 3.037 13.437 -2.132 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.262 14.258 -2.494 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.394 12.403 -1.078 1.00 0.15 C ATOM 0 H VAL A 56 2.023 14.340 0.422 1.00 0.17 H new ATOM 0 HA VAL A 56 1.788 15.160 -2.389 1.00 0.15 H new ATOM 0 HB VAL A 56 2.694 12.909 -3.022 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.063 13.593 -2.817 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.013 14.946 -3.302 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.590 14.825 -1.623 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.214 11.782 -1.440 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.699 12.908 -0.161 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.526 11.776 -0.875 1.00 0.15 H new ATOM 837 N SER A 57 -0.006 13.317 -2.765 1.00 0.13 N ATOM 838 CA SER A 57 -1.215 12.528 -2.839 1.00 0.15 C ATOM 839 C SER A 57 -0.856 11.057 -2.964 1.00 0.15 C ATOM 840 O SER A 57 0.269 10.731 -3.356 1.00 0.18 O ATOM 841 CB SER A 57 -2.072 12.986 -4.019 1.00 0.22 C ATOM 842 OG SER A 57 -2.429 14.353 -3.881 1.00 0.97 O ATOM 0 H SER A 57 0.321 13.679 -3.661 1.00 0.13 H new ATOM 0 HA SER A 57 -1.796 12.667 -1.927 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.525 12.841 -4.950 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.972 12.375 -4.080 1.00 0.22 H new ATOM 0 HG SER A 57 -2.976 14.627 -4.647 1.00 0.97 H new ATOM 848 N PHE A 58 -1.790 10.177 -2.626 1.00 0.16 N ATOM 849 CA PHE A 58 -1.529 8.742 -2.638 1.00 0.16 C ATOM 850 C PHE A 58 -0.957 8.320 -3.990 1.00 0.18 C ATOM 851 O PHE A 58 0.022 7.572 -4.061 1.00 0.19 O ATOM 852 CB PHE A 58 -2.818 7.973 -2.344 1.00 0.18 C ATOM 853 CG PHE A 58 -2.594 6.648 -1.673 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.994 5.604 -2.353 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.985 6.450 -0.359 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.787 4.388 -1.736 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.781 5.236 0.263 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.181 4.204 -0.425 1.00 0.22 C ATOM 0 H PHE A 58 -2.736 10.431 -2.340 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.797 8.511 -1.864 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.460 8.586 -1.711 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.354 7.810 -3.279 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.684 5.742 -3.378 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.455 7.256 0.185 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.317 3.580 -2.278 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -3.091 5.095 1.288 1.00 0.21 H new ATOM 0 HZ PHE A 58 -2.019 3.253 0.060 1.00 0.22 H new ATOM 868 N GLU A 59 -1.556 8.853 -5.050 1.00 0.20 N ATOM 869 CA GLU A 59 -1.156 8.546 -6.417 1.00 0.22 C ATOM 870 C GLU A 59 0.317 8.854 -6.667 1.00 0.24 C ATOM 871 O GLU A 59 1.021 8.055 -7.287 1.00 0.31 O ATOM 872 CB GLU A 59 -2.017 9.330 -7.402 1.00 0.27 C ATOM 873 CG GLU A 59 -3.503 9.067 -7.251 1.00 0.36 C ATOM 874 CD GLU A 59 -4.334 9.912 -8.187 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.679 11.052 -7.814 1.00 0.96 O ATOM 876 OE2 GLU A 59 -4.638 9.444 -9.304 1.00 1.72 O ATOM 0 H GLU A 59 -2.333 9.510 -4.984 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.302 7.476 -6.565 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -1.829 10.395 -7.268 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.713 9.078 -8.418 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.704 8.013 -7.442 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.802 9.267 -6.222 1.00 0.36 H new ATOM 883 N GLU A 60 0.783 10.003 -6.178 1.00 0.23 N ATOM 884 CA GLU A 60 2.160 10.425 -6.410 1.00 0.24 C ATOM 885 C GLU A 60 3.135 9.416 -5.822 1.00 0.23 C ATOM 886 O GLU A 60 4.096 9.012 -6.473 1.00 0.26 O ATOM 887 CB GLU A 60 2.416 11.803 -5.799 1.00 0.25 C ATOM 888 CG GLU A 60 1.521 12.896 -6.362 1.00 0.29 C ATOM 889 CD GLU A 60 1.801 13.193 -7.823 1.00 1.18 C ATOM 890 OE1 GLU A 60 1.309 12.440 -8.687 1.00 2.09 O ATOM 891 OE2 GLU A 60 2.518 14.171 -8.114 1.00 1.24 O ATOM 0 H GLU A 60 0.229 10.654 -5.622 1.00 0.23 H new ATOM 0 HA GLU A 60 2.315 10.483 -7.487 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.270 11.745 -4.720 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.458 12.077 -5.965 1.00 0.25 H new ATOM 0 HG2 GLU A 60 0.478 12.599 -6.250 1.00 0.29 H new ATOM 0 HG3 GLU A 60 1.657 13.807 -5.779 1.00 0.29 H new ATOM 898 N ALA A 61 2.872 9.002 -4.595 1.00 0.22 N ATOM 899 CA ALA A 61 3.733 8.049 -3.920 1.00 0.23 C ATOM 900 C ALA A 61 3.634 6.671 -4.568 1.00 0.22 C ATOM 901 O ALA A 61 4.643 6.080 -4.938 1.00 0.26 O ATOM 902 CB ALA A 61 3.376 7.971 -2.443 1.00 0.24 C ATOM 0 H ALA A 61 2.069 9.311 -4.047 1.00 0.22 H new ATOM 0 HA ALA A 61 4.763 8.392 -4.013 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.029 7.252 -1.948 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.503 8.952 -1.986 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.339 7.652 -2.336 1.00 0.24 H new ATOM 908 N ALA A 62 2.412 6.189 -4.737 1.00 0.20 N ATOM 909 CA ALA A 62 2.172 4.830 -5.208 1.00 0.20 C ATOM 910 C ALA A 62 2.777 4.567 -6.588 1.00 0.21 C ATOM 911 O ALA A 62 3.524 3.609 -6.760 1.00 0.24 O ATOM 912 CB ALA A 62 0.685 4.544 -5.215 1.00 0.20 C ATOM 0 H ALA A 62 1.563 6.723 -4.553 1.00 0.20 H new ATOM 0 HA ALA A 62 2.672 4.153 -4.516 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.512 3.527 -5.568 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.289 4.650 -4.205 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.182 5.249 -5.877 1.00 0.20 H new ATOM 918 N SER A 63 2.469 5.427 -7.554 1.00 0.21 N ATOM 919 CA SER A 63 2.923 5.254 -8.937 1.00 0.23 C ATOM 920 C SER A 63 4.433 5.025 -9.043 1.00 0.24 C ATOM 921 O SER A 63 4.912 4.415 -10.000 1.00 0.27 O ATOM 922 CB SER A 63 2.537 6.479 -9.765 1.00 0.26 C ATOM 923 OG SER A 63 1.147 6.741 -9.670 1.00 1.00 O ATOM 0 H SER A 63 1.901 6.261 -7.405 1.00 0.21 H new ATOM 0 HA SER A 63 2.431 4.361 -9.323 1.00 0.23 H new ATOM 0 HB2 SER A 63 3.098 7.347 -9.420 1.00 0.26 H new ATOM 0 HB3 SER A 63 2.809 6.318 -10.808 1.00 0.26 H new ATOM 0 HG SER A 63 0.975 7.316 -8.895 1.00 1.00 H new ATOM 929 N GLN A 64 5.178 5.506 -8.063 1.00 0.24 N ATOM 930 CA GLN A 64 6.622 5.385 -8.089 1.00 0.27 C ATOM 931 C GLN A 64 7.088 4.321 -7.113 1.00 0.26 C ATOM 932 O GLN A 64 7.925 3.479 -7.429 1.00 0.29 O ATOM 933 CB GLN A 64 7.251 6.722 -7.709 1.00 0.31 C ATOM 934 CG GLN A 64 6.671 7.892 -8.472 1.00 0.35 C ATOM 935 CD GLN A 64 7.236 9.225 -8.022 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.264 9.680 -8.526 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.556 9.865 -7.086 1.00 0.35 N ATOM 0 H GLN A 64 4.806 5.983 -7.242 1.00 0.24 H new ATOM 0 HA GLN A 64 6.928 5.099 -9.095 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.114 6.890 -6.641 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.325 6.675 -7.890 1.00 0.31 H new ATOM 0 HG2 GLN A 64 6.868 7.760 -9.536 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.588 7.901 -8.347 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.709 9.450 -6.697 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.878 10.774 -6.753 1.00 0.35 H new ATOM 946 N ARG A 65 6.535 4.384 -5.919 1.00 0.26 N ATOM 947 CA ARG A 65 7.022 3.586 -4.806 1.00 0.28 C ATOM 948 C ARG A 65 6.375 2.202 -4.717 1.00 0.27 C ATOM 949 O ARG A 65 7.061 1.222 -4.427 1.00 0.32 O ATOM 950 CB ARG A 65 6.809 4.364 -3.513 1.00 0.33 C ATOM 951 CG ARG A 65 7.412 5.762 -3.564 1.00 0.37 C ATOM 952 CD ARG A 65 8.862 5.715 -4.022 1.00 0.43 C ATOM 953 NE ARG A 65 9.535 7.007 -3.951 1.00 0.58 N ATOM 954 CZ ARG A 65 10.097 7.628 -4.990 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.130 7.053 -6.187 1.00 0.59 N ATOM 956 NH2 ARG A 65 10.666 8.813 -4.824 1.00 0.86 N ATOM 0 H ARG A 65 5.742 4.984 -5.691 1.00 0.26 H new ATOM 0 HA ARG A 65 8.083 3.403 -4.973 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.741 4.440 -3.311 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.251 3.812 -2.684 1.00 0.33 H new ATOM 0 HG2 ARG A 65 6.833 6.387 -4.243 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.353 6.223 -2.578 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.406 4.996 -3.409 1.00 0.43 H new ATOM 0 HD3 ARG A 65 8.899 5.350 -5.049 1.00 0.43 H new ATOM 0 HE ARG A 65 9.579 7.469 -3.043 1.00 0.58 H new ATOM 0 HH11 ARG A 65 9.723 6.127 -6.319 1.00 0.59 H new ATOM 0 HH12 ARG A 65 10.562 7.537 -6.974 1.00 0.59 H new ATOM 0 HH21 ARG A 65 10.674 9.250 -3.902 1.00 0.86 H new ATOM 0 HH22 ARG A 65 11.096 9.288 -5.618 1.00 0.86 H new ATOM 970 N SER A 66 5.069 2.113 -4.949 1.00 0.25 N ATOM 971 CA SER A 66 4.372 0.833 -4.814 1.00 0.25 C ATOM 972 C SER A 66 4.869 -0.176 -5.846 1.00 0.23 C ATOM 973 O SER A 66 4.904 0.108 -7.041 1.00 0.24 O ATOM 974 CB SER A 66 2.847 0.998 -4.926 1.00 0.24 C ATOM 975 OG SER A 66 2.433 1.294 -6.246 1.00 0.82 O ATOM 0 H SER A 66 4.478 2.896 -5.227 1.00 0.25 H new ATOM 0 HA SER A 66 4.597 0.453 -3.817 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.359 0.082 -4.592 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.520 1.795 -4.258 1.00 0.24 H new ATOM 0 HG SER A 66 2.904 2.092 -6.565 1.00 0.82 H new ATOM 981 N ASP A 67 5.263 -1.349 -5.365 1.00 0.25 N ATOM 982 CA ASP A 67 5.744 -2.419 -6.231 1.00 0.28 C ATOM 983 C ASP A 67 4.582 -3.171 -6.875 1.00 0.31 C ATOM 984 O ASP A 67 4.764 -3.964 -7.799 1.00 0.48 O ATOM 985 CB ASP A 67 6.626 -3.388 -5.445 1.00 0.39 C ATOM 986 CG ASP A 67 7.122 -4.536 -6.302 1.00 1.59 C ATOM 987 OD1 ASP A 67 7.900 -4.285 -7.244 1.00 1.91 O ATOM 988 OD2 ASP A 67 6.746 -5.689 -6.026 1.00 2.28 O ATOM 0 H ASP A 67 5.259 -1.584 -4.373 1.00 0.25 H new ATOM 0 HA ASP A 67 6.338 -1.965 -7.024 1.00 0.28 H new ATOM 0 HB2 ASP A 67 7.479 -2.848 -5.035 1.00 0.39 H new ATOM 0 HB3 ASP A 67 6.063 -3.785 -4.600 1.00 0.39 H new ATOM 993 N CYS A 68 3.383 -2.902 -6.394 1.00 0.24 N ATOM 994 CA CYS A 68 2.193 -3.539 -6.923 1.00 0.26 C ATOM 995 C CYS A 68 1.805 -2.886 -8.241 1.00 0.27 C ATOM 996 O CYS A 68 2.247 -1.778 -8.552 1.00 0.38 O ATOM 997 CB CYS A 68 1.054 -3.425 -5.909 1.00 0.29 C ATOM 998 SG CYS A 68 -0.480 -4.249 -6.385 1.00 1.52 S ATOM 0 H CYS A 68 3.208 -2.244 -5.635 1.00 0.24 H new ATOM 0 HA CYS A 68 2.393 -4.595 -7.104 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.391 -3.839 -4.959 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.844 -2.369 -5.739 1.00 0.29 H new ATOM 0 HG CYS A 68 -0.900 -4.986 -5.400 1.00 1.52 H new ATOM 1004 N GLY A 69 0.965 -3.578 -8.999 1.00 0.26 N ATOM 1005 CA GLY A 69 0.564 -3.108 -10.315 1.00 0.25 C ATOM 1006 C GLY A 69 -0.156 -1.777 -10.263 1.00 0.22 C ATOM 1007 O GLY A 69 -0.286 -1.086 -11.276 1.00 0.25 O ATOM 0 H GLY A 69 0.549 -4.467 -8.723 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.446 -3.015 -10.948 1.00 0.25 H new ATOM 0 HA3 GLY A 69 -0.085 -3.850 -10.780 1.00 0.25 H new ATOM 1011 N SER A 70 -0.612 -1.410 -9.071 1.00 0.21 N ATOM 1012 CA SER A 70 -1.282 -0.145 -8.857 1.00 0.24 C ATOM 1013 C SER A 70 -0.344 1.047 -9.079 1.00 0.22 C ATOM 1014 O SER A 70 -0.794 2.188 -9.081 1.00 0.25 O ATOM 1015 CB SER A 70 -1.862 -0.108 -7.445 1.00 0.31 C ATOM 1016 OG SER A 70 -0.851 -0.334 -6.471 1.00 0.32 O ATOM 0 H SER A 70 -0.525 -1.983 -8.232 1.00 0.21 H new ATOM 0 HA SER A 70 -2.086 -0.061 -9.588 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.333 0.859 -7.267 1.00 0.31 H new ATOM 0 HB3 SER A 70 -2.640 -0.865 -7.348 1.00 0.31 H new ATOM 0 HG SER A 70 -1.247 -0.304 -5.575 1.00 0.32 H new ATOM 1022 N TYR A 71 0.956 0.795 -9.274 1.00 0.20 N ATOM 1023 CA TYR A 71 1.894 1.874 -9.590 1.00 0.20 C ATOM 1024 C TYR A 71 1.479 2.543 -10.903 1.00 0.22 C ATOM 1025 O TYR A 71 1.813 3.694 -11.162 1.00 0.29 O ATOM 1026 CB TYR A 71 3.349 1.360 -9.705 1.00 0.21 C ATOM 1027 CG TYR A 71 3.670 0.692 -11.027 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.277 -0.614 -11.289 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.371 1.377 -12.013 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.572 -1.217 -12.497 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.668 0.780 -13.221 1.00 0.44 C ATOM 1032 CZ TYR A 71 4.267 -0.516 -13.458 1.00 0.43 C ATOM 1033 OH TYR A 71 4.563 -1.113 -14.664 1.00 0.54 O ATOM 0 H TYR A 71 1.376 -0.133 -9.219 1.00 0.20 H new ATOM 0 HA TYR A 71 1.861 2.595 -8.773 1.00 0.20 H new ATOM 0 HB2 TYR A 71 4.031 2.198 -9.559 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.537 0.652 -8.898 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.733 -1.167 -10.537 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.688 2.393 -11.830 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.259 -2.233 -12.687 1.00 0.36 H new ATOM 0 HE2 TYR A 71 5.212 1.326 -13.977 1.00 0.44 H new ATOM 0 HH TYR A 71 5.056 -0.482 -15.229 1.00 0.54 H new ATOM 1043 N ALA A 72 0.745 1.807 -11.733 1.00 0.24 N ATOM 1044 CA ALA A 72 0.251 2.341 -12.993 1.00 0.30 C ATOM 1045 C ALA A 72 -1.171 2.872 -12.831 1.00 0.36 C ATOM 1046 O ALA A 72 -1.821 3.248 -13.801 1.00 0.49 O ATOM 1047 CB ALA A 72 0.302 1.269 -14.072 1.00 0.38 C ATOM 0 H ALA A 72 0.480 0.838 -11.553 1.00 0.24 H new ATOM 0 HA ALA A 72 0.891 3.170 -13.295 1.00 0.30 H new ATOM 0 HB1 ALA A 72 -0.070 1.680 -15.011 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.331 0.935 -14.205 1.00 0.38 H new ATOM 0 HB3 ALA A 72 -0.318 0.424 -13.775 1.00 0.38 H new ATOM 1053 N SER A 73 -1.654 2.877 -11.598 1.00 0.32 N ATOM 1054 CA SER A 73 -3.003 3.338 -11.301 1.00 0.44 C ATOM 1055 C SER A 73 -2.982 4.421 -10.223 1.00 0.49 C ATOM 1056 O SER A 73 -4.027 4.902 -9.785 1.00 0.71 O ATOM 1057 CB SER A 73 -3.852 2.158 -10.831 1.00 0.47 C ATOM 1058 OG SER A 73 -3.679 1.037 -11.681 1.00 0.62 O ATOM 0 H SER A 73 -1.128 2.565 -10.781 1.00 0.32 H new ATOM 0 HA SER A 73 -3.434 3.764 -12.207 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.577 1.891 -9.811 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.903 2.446 -10.813 1.00 0.47 H new ATOM 0 HG SER A 73 -4.231 0.294 -11.359 1.00 0.62 H new ATOM 1064 N GLY A 74 -1.783 4.801 -9.798 1.00 0.41 N ATOM 1065 CA GLY A 74 -1.647 5.754 -8.714 1.00 0.54 C ATOM 1066 C GLY A 74 -1.993 5.142 -7.372 1.00 0.45 C ATOM 1067 O GLY A 74 -2.395 5.839 -6.447 1.00 0.49 O ATOM 0 H GLY A 74 -0.901 4.465 -10.186 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -0.624 6.130 -8.688 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -2.296 6.610 -8.900 1.00 0.54 H new ATOM 1071 N GLY A 75 -1.847 3.828 -7.274 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.188 3.123 -6.053 1.00 0.32 C ATOM 1073 C GLY A 75 -3.662 2.805 -5.982 1.00 0.20 C ATOM 1074 O GLY A 75 -4.084 1.898 -5.260 1.00 0.21 O ATOM 0 H GLY A 75 -1.496 3.233 -8.024 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.614 2.199 -5.995 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -1.905 3.729 -5.192 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.436 3.540 -6.760 1.00 0.35 N ATOM 1079 CA ASP A 76 -5.883 3.433 -6.749 1.00 0.39 C ATOM 1080 C ASP A 76 -6.328 2.157 -7.421 1.00 0.32 C ATOM 1081 O ASP A 76 -5.848 1.813 -8.502 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.509 4.607 -7.476 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.986 4.762 -7.186 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -8.343 4.948 -6.005 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.796 4.685 -8.128 1.00 0.80 O ATOM 0 H ASP A 76 -4.077 4.230 -7.419 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.206 3.430 -5.708 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -5.990 5.522 -7.191 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.366 4.481 -8.549 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.230 1.453 -6.782 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.810 0.272 -7.371 1.00 0.30 C ATOM 1092 C LEU A 77 -9.287 0.480 -7.597 1.00 0.32 C ATOM 1093 O LEU A 77 -9.890 1.416 -7.069 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.584 -0.952 -6.488 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.497 -1.925 -6.962 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.209 -1.189 -7.316 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.238 -2.975 -5.891 1.00 0.94 C ATOM 0 H LEU A 77 -7.579 1.679 -5.851 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.320 0.095 -8.328 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.328 -0.611 -5.485 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.524 -1.498 -6.408 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.852 -2.420 -7.866 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.459 -1.907 -7.648 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.406 -0.474 -8.115 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.840 -0.659 -6.438 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.465 -3.662 -6.235 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.907 -2.486 -4.975 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -7.156 -3.530 -5.696 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.846 -0.376 -8.408 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.266 -0.347 -8.673 1.00 0.39 C ATOM 1111 C GLY A 78 -12.053 -1.061 -7.597 1.00 0.34 C ATOM 1112 O GLY A 78 -11.597 -1.179 -6.457 1.00 0.44 O ATOM 0 H GLY A 78 -9.338 -1.110 -8.902 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.602 0.688 -8.743 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.465 -0.812 -9.638 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.231 -1.542 -7.950 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.076 -2.235 -6.997 1.00 0.46 C ATOM 1118 C PHE A 79 -13.686 -3.703 -6.891 1.00 0.45 C ATOM 1119 O PHE A 79 -13.242 -4.314 -7.864 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.550 -2.090 -7.377 1.00 0.61 C ATOM 1121 CG PHE A 79 -16.036 -0.670 -7.302 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -15.877 0.186 -8.378 1.00 1.73 C ATOM 1123 CD2 PHE A 79 -16.663 -0.197 -6.161 1.00 2.78 C ATOM 1124 CE1 PHE A 79 -16.336 1.488 -8.318 1.00 2.78 C ATOM 1125 CE2 PHE A 79 -17.122 1.103 -6.094 1.00 3.87 C ATOM 1126 CZ PHE A 79 -16.914 1.960 -7.152 1.00 3.85 C ATOM 0 H PHE A 79 -13.623 -1.465 -8.888 1.00 0.47 H new ATOM 0 HA PHE A 79 -13.930 -1.777 -6.019 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.698 -2.466 -8.389 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -16.154 -2.711 -6.715 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -15.389 -0.168 -9.274 1.00 1.73 H new ATOM 0 HD2 PHE A 79 -16.794 -0.853 -5.313 1.00 2.78 H new ATOM 0 HE1 PHE A 79 -16.244 2.135 -9.178 1.00 2.78 H new ATOM 0 HE2 PHE A 79 -17.643 1.448 -5.213 1.00 3.87 H new ATOM 0 HZ PHE A 79 -17.201 2.998 -7.072 1.00 3.85 H new ATOM 1136 N PHE A 80 -13.859 -4.256 -5.702 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.484 -5.628 -5.413 1.00 0.45 C ATOM 1138 C PHE A 80 -14.443 -6.185 -4.388 1.00 0.46 C ATOM 1139 O PHE A 80 -15.173 -5.437 -3.749 1.00 0.55 O ATOM 1140 CB PHE A 80 -12.045 -5.718 -4.880 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.833 -5.100 -3.517 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.847 -3.723 -3.343 1.00 1.01 C ATOM 1143 CD2 PHE A 80 -11.607 -5.903 -2.409 1.00 0.89 C ATOM 1144 CE1 PHE A 80 -11.642 -3.165 -2.092 1.00 1.28 C ATOM 1145 CE2 PHE A 80 -11.404 -5.349 -1.160 1.00 1.19 C ATOM 1146 CZ PHE A 80 -11.420 -3.979 -1.003 1.00 1.31 C ATOM 0 H PHE A 80 -14.265 -3.763 -4.907 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.532 -6.206 -6.336 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -11.754 -6.767 -4.837 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.378 -5.231 -5.592 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.020 -3.079 -4.193 1.00 1.01 H new ATOM 0 HD2 PHE A 80 -11.589 -6.977 -2.524 1.00 0.89 H new ATOM 0 HE1 PHE A 80 -11.656 -2.092 -1.970 1.00 1.28 H new ATOM 0 HE2 PHE A 80 -11.233 -5.989 -0.307 1.00 1.19 H new ATOM 0 HZ PHE A 80 -11.259 -3.545 -0.027 1.00 1.31 H new ATOM 1156 N SER A 81 -14.434 -7.484 -4.228 1.00 0.50 N ATOM 1157 CA SER A 81 -15.334 -8.130 -3.296 1.00 0.55 C ATOM 1158 C SER A 81 -14.667 -8.235 -1.928 1.00 0.52 C ATOM 1159 O SER A 81 -13.442 -8.304 -1.835 1.00 0.54 O ATOM 1160 CB SER A 81 -15.694 -9.514 -3.828 1.00 0.69 C ATOM 1161 OG SER A 81 -15.754 -9.502 -5.245 1.00 1.17 O ATOM 0 H SER A 81 -13.814 -8.119 -4.730 1.00 0.50 H new ATOM 0 HA SER A 81 -16.246 -7.543 -3.190 1.00 0.55 H new ATOM 0 HB2 SER A 81 -14.953 -10.242 -3.496 1.00 0.69 H new ATOM 0 HB3 SER A 81 -16.655 -9.828 -3.420 1.00 0.69 H new ATOM 0 HG SER A 81 -14.849 -9.583 -5.611 1.00 1.17 H new ATOM 1167 N SER A 82 -15.465 -8.209 -0.873 1.00 0.59 N ATOM 1168 CA SER A 82 -14.943 -8.351 0.476 1.00 0.63 C ATOM 1169 C SER A 82 -14.201 -9.677 0.629 1.00 0.59 C ATOM 1170 O SER A 82 -14.808 -10.747 0.596 1.00 0.63 O ATOM 1171 CB SER A 82 -16.095 -8.253 1.478 1.00 0.77 C ATOM 1172 OG SER A 82 -17.257 -8.897 0.975 1.00 1.19 O ATOM 0 H SER A 82 -16.477 -8.091 -0.925 1.00 0.59 H new ATOM 0 HA SER A 82 -14.232 -7.549 0.673 1.00 0.63 H new ATOM 0 HB2 SER A 82 -15.801 -8.710 2.423 1.00 0.77 H new ATOM 0 HB3 SER A 82 -16.315 -7.206 1.685 1.00 0.77 H new ATOM 0 HG SER A 82 -17.981 -8.824 1.631 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.889 -9.599 0.795 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.085 -10.798 0.895 1.00 0.62 C ATOM 1180 C GLY A 83 -11.396 -11.146 -0.411 1.00 0.64 C ATOM 1181 O GLY A 83 -10.963 -12.278 -0.608 1.00 0.79 O ATOM 0 H GLY A 83 -12.367 -8.725 0.862 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.334 -10.664 1.674 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -12.717 -11.631 1.202 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.301 -10.173 -1.311 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.696 -10.393 -2.620 1.00 0.62 C ATOM 1187 C GLU A 84 -9.259 -9.854 -2.659 1.00 0.58 C ATOM 1188 O GLU A 84 -8.686 -9.644 -3.733 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.547 -9.704 -3.691 1.00 0.73 C ATOM 1190 CG GLU A 84 -11.301 -10.192 -5.107 1.00 1.17 C ATOM 1191 CD GLU A 84 -12.036 -9.354 -6.132 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -13.281 -9.422 -6.173 1.00 1.43 O ATOM 1193 OE2 GLU A 84 -11.373 -8.639 -6.914 1.00 1.55 O ATOM 0 H GLU A 84 -11.636 -9.222 -1.157 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.657 -11.465 -2.814 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -12.600 -9.850 -3.449 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -11.357 -8.631 -3.653 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -10.232 -10.168 -5.318 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -11.619 -11.231 -5.193 1.00 1.17 H new ATOM 1200 N MET A 85 -8.670 -9.637 -1.489 1.00 0.47 N ATOM 1201 CA MET A 85 -7.330 -9.066 -1.414 1.00 0.44 C ATOM 1202 C MET A 85 -6.397 -9.964 -0.615 1.00 0.47 C ATOM 1203 O MET A 85 -5.963 -11.010 -1.095 1.00 0.73 O ATOM 1204 CB MET A 85 -7.363 -7.670 -0.786 1.00 0.39 C ATOM 1205 CG MET A 85 -8.073 -6.628 -1.626 1.00 0.37 C ATOM 1206 SD MET A 85 -7.273 -6.367 -3.219 1.00 0.39 S ATOM 1207 CE MET A 85 -8.365 -5.150 -3.944 1.00 0.39 C ATOM 0 H MET A 85 -9.095 -9.846 -0.585 1.00 0.47 H new ATOM 0 HA MET A 85 -6.953 -8.985 -2.433 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.853 -7.732 0.186 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.340 -7.340 -0.607 1.00 0.39 H new ATOM 0 HG2 MET A 85 -9.105 -6.938 -1.788 1.00 0.37 H new ATOM 0 HG3 MET A 85 -8.105 -5.685 -1.080 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.662 -5.475 -4.941 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.252 -5.039 -3.320 1.00 0.39 H new ATOM 0 HE3 MET A 85 -7.848 -4.193 -4.013 1.00 0.39 H new ATOM 1217 N MET A 86 -6.100 -9.543 0.605 1.00 0.33 N ATOM 1218 CA MET A 86 -5.295 -10.320 1.532 1.00 0.35 C ATOM 1219 C MET A 86 -5.880 -10.154 2.917 1.00 0.40 C ATOM 1220 O MET A 86 -6.491 -9.121 3.196 1.00 0.76 O ATOM 1221 CB MET A 86 -3.836 -9.862 1.530 1.00 0.33 C ATOM 1222 CG MET A 86 -3.153 -10.045 0.187 1.00 0.43 C ATOM 1223 SD MET A 86 -2.725 -11.764 -0.156 1.00 1.16 S ATOM 1224 CE MET A 86 -1.449 -12.044 1.067 1.00 1.39 C ATOM 0 H MET A 86 -6.413 -8.648 0.981 1.00 0.33 H new ATOM 0 HA MET A 86 -5.310 -11.366 1.226 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.792 -8.810 1.812 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.286 -10.419 2.289 1.00 0.33 H new ATOM 0 HG2 MET A 86 -3.808 -9.675 -0.601 1.00 0.43 H new ATOM 0 HG3 MET A 86 -2.248 -9.438 0.160 1.00 0.43 H new ATOM 0 HE1 MET A 86 -0.823 -12.880 0.755 1.00 1.39 H new ATOM 0 HE2 MET A 86 -0.836 -11.148 1.165 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.910 -12.275 2.027 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.692 -11.141 3.775 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.290 -11.127 5.106 1.00 0.32 C ATOM 1236 C LYS A 87 -6.022 -9.814 5.864 1.00 0.27 C ATOM 1237 O LYS A 87 -6.975 -9.142 6.255 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.819 -12.336 5.921 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.255 -12.303 7.381 1.00 0.97 C ATOM 1240 CD LYS A 87 -5.790 -13.537 8.139 1.00 1.46 C ATOM 1241 CE LYS A 87 -6.511 -14.792 7.673 1.00 2.00 C ATOM 1242 NZ LYS A 87 -7.974 -14.721 7.936 1.00 2.37 N ATOM 0 H LYS A 87 -5.128 -11.967 3.576 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.370 -11.193 4.970 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -6.202 -13.246 5.458 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.731 -12.390 5.878 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -5.853 -11.410 7.860 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -7.341 -12.232 7.434 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -4.716 -13.663 8.003 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -5.962 -13.394 9.206 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -6.340 -14.934 6.606 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -6.093 -15.661 8.181 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -8.384 -15.675 7.879 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -8.137 -14.330 8.886 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -8.425 -14.108 7.227 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.750 -9.397 6.059 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.450 -8.198 6.846 1.00 0.25 C ATOM 1258 C PRO A 88 -4.711 -6.920 6.058 1.00 0.22 C ATOM 1259 O PRO A 88 -5.035 -5.875 6.624 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.963 -8.352 7.158 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.413 -9.112 6.001 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.517 -10.019 5.521 1.00 0.27 C ATOM 0 HA PRO A 88 -5.075 -8.114 7.735 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.477 -7.382 7.262 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.808 -8.888 8.094 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -2.095 -8.435 5.208 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.537 -9.690 6.297 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.541 -10.077 4.433 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.388 -11.036 5.892 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.587 -7.033 4.741 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.785 -5.913 3.833 1.00 0.17 C ATOM 1272 C PHE A 89 -6.251 -5.500 3.833 1.00 0.18 C ATOM 1273 O PHE A 89 -6.584 -4.364 4.148 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.344 -6.350 2.425 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.531 -5.343 1.315 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.788 -5.093 0.785 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.442 -4.682 0.773 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -5.956 -4.199 -0.255 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.604 -3.793 -0.275 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.865 -3.551 -0.789 1.00 0.19 C ATOM 0 H PHE A 89 -4.346 -7.907 4.273 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.193 -5.055 4.152 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.289 -6.619 2.467 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -4.893 -7.254 2.161 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.648 -5.605 1.191 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.455 -4.862 1.173 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.943 -4.009 -0.649 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.745 -3.288 -0.692 1.00 0.20 H new ATOM 0 HZ PHE A 89 -4.993 -2.856 -1.606 1.00 0.19 H new ATOM 1290 N GLU A 90 -7.114 -6.457 3.518 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.550 -6.222 3.432 1.00 0.24 C ATOM 1292 C GLU A 90 -9.104 -5.866 4.799 1.00 0.25 C ATOM 1293 O GLU A 90 -9.969 -5.002 4.925 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.237 -7.471 2.884 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.712 -7.287 2.561 1.00 0.34 C ATOM 1296 CD GLU A 90 -11.619 -7.836 3.644 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -11.874 -9.055 3.661 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -12.085 -7.044 4.483 1.00 1.78 O ATOM 0 H GLU A 90 -6.839 -7.418 3.315 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.741 -5.387 2.758 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.717 -7.790 1.981 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.135 -8.276 3.612 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.920 -6.226 2.421 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -10.938 -7.783 1.617 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.578 -6.528 5.816 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.965 -6.252 7.193 1.00 0.29 C ATOM 1307 C ASP A 91 -8.727 -4.784 7.534 1.00 0.25 C ATOM 1308 O ASP A 91 -9.489 -4.181 8.286 1.00 0.30 O ATOM 1309 CB ASP A 91 -8.189 -7.145 8.160 1.00 0.35 C ATOM 1310 CG ASP A 91 -8.599 -6.934 9.600 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -9.612 -7.526 10.027 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -7.904 -6.186 10.315 1.00 0.54 O ATOM 0 H ASP A 91 -7.879 -7.264 5.715 1.00 0.25 H new ATOM 0 HA ASP A 91 -10.029 -6.467 7.295 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -8.346 -8.189 7.890 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -7.122 -6.946 8.057 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.676 -4.210 6.958 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.374 -2.803 7.167 1.00 0.19 C ATOM 1319 C ALA A 92 -8.270 -1.925 6.301 1.00 0.18 C ATOM 1320 O ALA A 92 -8.564 -0.787 6.659 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.911 -2.519 6.868 1.00 0.22 C ATOM 0 H ALA A 92 -7.022 -4.697 6.345 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.566 -2.567 8.214 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.705 -1.461 7.030 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.282 -3.116 7.528 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.695 -2.776 5.831 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.724 -2.476 5.178 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.565 -1.740 4.242 1.00 0.19 C ATOM 1329 C VAL A 93 -10.958 -1.558 4.827 1.00 0.19 C ATOM 1330 O VAL A 93 -11.591 -0.519 4.658 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.691 -2.460 2.878 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.455 -1.597 1.890 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.327 -2.832 2.316 1.00 0.21 C ATOM 0 H VAL A 93 -8.521 -3.435 4.895 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.088 -0.774 4.077 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.247 -3.384 3.040 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.534 -2.119 0.936 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.454 -1.397 2.278 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.926 -0.655 1.745 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.453 -3.336 1.358 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.733 -1.929 2.176 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.816 -3.498 3.011 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.425 -2.576 5.533 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.733 -2.521 6.157 1.00 0.27 C ATOM 1345 C ARG A 94 -12.649 -1.795 7.496 1.00 0.25 C ATOM 1346 O ARG A 94 -13.658 -1.579 8.165 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.308 -3.940 6.319 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.498 -4.872 7.218 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.811 -4.650 8.689 1.00 1.03 C ATOM 1350 NE ARG A 94 -12.030 -5.521 9.566 1.00 0.98 N ATOM 1351 CZ ARG A 94 -12.451 -5.952 10.758 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -13.658 -5.621 11.205 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -11.663 -6.717 11.499 1.00 1.70 N ATOM 0 H ARG A 94 -10.917 -3.447 5.687 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.411 -1.959 5.515 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.318 -3.862 6.721 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.392 -4.395 5.332 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -12.711 -5.908 6.953 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -11.434 -4.711 7.044 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -12.613 -3.609 8.946 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -13.873 -4.824 8.861 1.00 1.03 H new ATOM 0 HE ARG A 94 -11.107 -5.818 9.248 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -14.269 -5.034 10.637 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -13.973 -5.954 12.116 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -10.737 -6.976 11.159 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -11.982 -7.047 12.410 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.438 -1.406 7.874 1.00 0.23 N ATOM 1368 CA ALA A 95 -11.212 -0.754 9.154 1.00 0.25 C ATOM 1369 C ALA A 95 -11.162 0.763 9.003 1.00 0.26 C ATOM 1370 O ALA A 95 -10.800 1.478 9.938 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.932 -1.268 9.791 1.00 0.26 C ATOM 0 H ALA A 95 -10.597 -1.532 7.310 1.00 0.23 H new ATOM 0 HA ALA A 95 -12.051 -0.996 9.807 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.777 -0.770 10.748 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -10.011 -2.344 9.950 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -9.089 -1.059 9.133 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.520 1.252 7.824 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.541 2.685 7.566 1.00 0.19 C ATOM 1379 C LEU A 96 -12.690 3.068 6.646 1.00 0.21 C ATOM 1380 O LEU A 96 -13.148 2.269 5.826 1.00 0.28 O ATOM 1381 CB LEU A 96 -10.202 3.157 6.979 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.446 2.149 6.117 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.976 2.153 4.700 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.963 2.455 6.125 1.00 0.28 C ATOM 0 H LEU A 96 -11.800 0.676 7.030 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.695 3.186 8.521 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.387 4.048 6.380 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.554 3.456 7.803 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.600 1.155 6.538 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.423 1.428 4.103 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -11.033 1.888 4.706 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.854 3.147 4.269 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.438 1.727 5.506 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.796 3.457 5.729 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.586 2.402 7.146 1.00 0.28 H new ATOM 1396 N LYS A 97 -13.164 4.293 6.814 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.216 4.841 5.978 1.00 0.31 C ATOM 1398 C LYS A 97 -13.591 5.571 4.788 1.00 0.28 C ATOM 1399 O LYS A 97 -12.371 5.718 4.716 1.00 0.25 O ATOM 1400 CB LYS A 97 -15.103 5.788 6.813 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.250 6.450 6.051 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.248 5.434 5.515 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.295 6.087 4.619 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.070 7.132 5.335 1.00 1.61 N ATOM 0 H LYS A 97 -12.829 4.933 7.534 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.845 4.037 5.596 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.520 5.226 7.648 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.472 6.569 7.238 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.765 7.150 6.709 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -15.845 7.031 5.222 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.718 4.665 4.953 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.743 4.936 6.349 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -17.804 6.530 3.752 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.977 5.324 4.244 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -19.856 7.454 4.735 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -19.449 6.738 6.220 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -18.449 7.937 5.552 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.430 5.987 3.853 1.00 0.32 N ATOM 1419 CA ILE A 98 -14.014 6.758 2.690 1.00 0.32 C ATOM 1420 C ILE A 98 -13.082 7.904 3.100 1.00 0.32 C ATOM 1421 O ILE A 98 -13.448 8.755 3.913 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.254 7.339 1.953 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -16.018 6.267 1.154 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.848 8.471 1.017 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -16.373 5.009 1.913 1.00 0.90 C ATOM 0 H ILE A 98 -15.432 5.797 3.880 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.476 6.088 2.019 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.920 7.722 2.726 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -16.938 6.711 0.774 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -15.417 5.989 0.288 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.732 8.861 0.513 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -14.377 9.268 1.593 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -14.144 8.095 0.275 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -16.908 4.325 1.254 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -15.461 4.530 2.270 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -17.006 5.263 2.763 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.872 7.895 2.558 1.00 0.30 N ATOM 1438 CA GLY A 99 -10.934 8.968 2.821 1.00 0.32 C ATOM 1439 C GLY A 99 -9.936 8.637 3.912 1.00 0.32 C ATOM 1440 O GLY A 99 -8.970 9.375 4.119 1.00 0.46 O ATOM 0 H GLY A 99 -11.523 7.163 1.940 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.394 9.203 1.903 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.487 9.864 3.104 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.148 7.529 4.610 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.269 7.156 5.708 1.00 0.19 C ATOM 1446 C ASP A 100 -8.167 6.232 5.233 1.00 0.15 C ATOM 1447 O ASP A 100 -8.392 5.369 4.385 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.049 6.498 6.845 1.00 0.22 C ATOM 1449 CG ASP A 100 -10.756 7.507 7.723 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.065 8.280 8.422 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.004 7.520 7.743 1.00 0.37 O ATOM 0 H ASP A 100 -10.914 6.878 4.437 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.817 8.073 6.087 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.782 5.808 6.427 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.366 5.906 7.455 1.00 0.22 H new ATOM 1456 N ILE A 101 -6.975 6.428 5.782 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.810 5.634 5.417 1.00 0.16 C ATOM 1458 C ILE A 101 -5.406 4.747 6.589 1.00 0.16 C ATOM 1459 O ILE A 101 -5.557 5.134 7.750 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.610 6.530 5.046 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.067 7.727 4.207 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.562 5.724 4.287 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -3.973 8.740 3.951 1.00 0.21 C ATOM 0 H ILE A 101 -6.789 7.139 6.490 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.080 5.029 4.551 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.165 6.905 5.968 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.447 7.366 3.251 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -5.896 8.220 4.714 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.721 6.369 4.032 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.212 4.902 4.912 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -4.002 5.323 3.374 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.369 9.559 3.351 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.608 9.129 4.901 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.153 8.262 3.416 1.00 0.21 H new ATOM 1475 N SER A 102 -4.905 3.566 6.284 1.00 0.16 N ATOM 1476 CA SER A 102 -4.492 2.621 7.303 1.00 0.19 C ATOM 1477 C SER A 102 -3.033 2.844 7.674 1.00 0.18 C ATOM 1478 O SER A 102 -2.248 3.344 6.864 1.00 0.22 O ATOM 1479 CB SER A 102 -4.677 1.191 6.789 1.00 0.25 C ATOM 1480 OG SER A 102 -3.831 0.934 5.679 1.00 0.92 O ATOM 0 H SER A 102 -4.773 3.236 5.328 1.00 0.16 H new ATOM 0 HA SER A 102 -5.108 2.772 8.189 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.459 0.483 7.588 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.717 1.036 6.501 1.00 0.25 H new ATOM 0 HG SER A 102 -3.340 0.099 5.828 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.655 2.498 8.909 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.257 2.500 9.327 1.00 0.23 C ATOM 1488 C PRO A 103 -0.474 1.390 8.632 1.00 0.20 C ATOM 1489 O PRO A 103 -1.068 0.506 8.011 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.330 2.251 10.835 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.624 1.546 11.041 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.560 2.093 10.001 1.00 0.28 C ATOM 0 HA PRO A 103 -0.744 3.428 9.074 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.491 1.646 11.177 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.296 3.187 11.393 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.504 0.468 10.930 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -3.010 1.722 12.045 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -4.278 1.342 9.671 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -4.135 2.938 10.381 1.00 0.28 H new ATOM 1500 N ILE A 104 0.852 1.462 8.722 1.00 0.17 N ATOM 1501 CA ILE A 104 1.743 0.455 8.131 1.00 0.15 C ATOM 1502 C ILE A 104 1.279 -0.974 8.436 1.00 0.14 C ATOM 1503 O ILE A 104 1.439 -1.464 9.556 1.00 0.20 O ATOM 1504 CB ILE A 104 3.191 0.607 8.648 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.657 2.066 8.559 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.130 -0.305 7.867 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.593 2.648 7.165 1.00 0.17 C ATOM 0 H ILE A 104 1.342 2.216 9.204 1.00 0.17 H new ATOM 0 HA ILE A 104 1.711 0.625 7.055 1.00 0.15 H new ATOM 0 HB ILE A 104 3.211 0.312 9.697 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.043 2.674 9.224 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.682 2.132 8.922 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.147 -0.187 8.242 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.816 -1.342 7.989 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.100 -0.039 6.810 1.00 0.15 H new ATOM 0 HD11 ILE A 104 3.939 3.682 7.186 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.229 2.066 6.498 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.565 2.616 6.804 1.00 0.17 H new ATOM 1519 N VAL A 105 0.708 -1.632 7.435 1.00 0.13 N ATOM 1520 CA VAL A 105 0.268 -3.016 7.564 1.00 0.15 C ATOM 1521 C VAL A 105 1.141 -3.930 6.703 1.00 0.15 C ATOM 1522 O VAL A 105 1.254 -3.741 5.491 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.233 -3.175 7.187 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.563 -2.429 5.908 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.623 -4.642 7.046 1.00 1.04 C ATOM 0 H VAL A 105 0.537 -1.224 6.516 1.00 0.13 H new ATOM 0 HA VAL A 105 0.376 -3.308 8.609 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.811 -2.742 8.003 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.619 -2.560 5.672 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.350 -1.368 6.040 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.958 -2.822 5.091 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.678 -4.714 6.782 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -1.021 -5.105 6.264 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.449 -5.157 7.991 1.00 1.04 H new ATOM 1535 N GLN A 106 1.786 -4.898 7.340 1.00 0.18 N ATOM 1536 CA GLN A 106 2.646 -5.831 6.630 1.00 0.20 C ATOM 1537 C GLN A 106 1.840 -6.996 6.071 1.00 0.23 C ATOM 1538 O GLN A 106 0.754 -7.314 6.559 1.00 0.29 O ATOM 1539 CB GLN A 106 3.740 -6.379 7.541 1.00 0.24 C ATOM 1540 CG GLN A 106 4.728 -5.341 8.037 1.00 0.25 C ATOM 1541 CD GLN A 106 5.899 -5.981 8.757 1.00 0.30 C ATOM 1542 OE1 GLN A 106 5.854 -6.195 9.968 1.00 0.55 O ATOM 1543 NE2 GLN A 106 6.954 -6.294 8.014 1.00 0.28 N ATOM 0 H GLN A 106 1.729 -5.056 8.346 1.00 0.18 H new ATOM 0 HA GLN A 106 3.107 -5.280 5.810 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.272 -6.857 8.402 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.287 -7.154 7.004 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.095 -4.756 7.194 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.222 -4.649 8.709 1.00 0.25 H new ATOM 0 HE21 GLN A 106 6.949 -6.099 7.013 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.770 -6.730 8.444 1.00 0.28 H new ATOM 1552 N THR A 107 2.383 -7.617 5.043 1.00 0.22 N ATOM 1553 CA THR A 107 1.777 -8.779 4.427 1.00 0.27 C ATOM 1554 C THR A 107 2.806 -9.891 4.288 1.00 0.34 C ATOM 1555 O THR A 107 3.925 -9.762 4.787 1.00 0.37 O ATOM 1556 CB THR A 107 1.211 -8.428 3.042 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.109 -7.537 2.368 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.167 -7.791 3.156 1.00 0.27 C ATOM 0 H THR A 107 3.260 -7.328 4.610 1.00 0.22 H new ATOM 0 HA THR A 107 0.960 -9.116 5.065 1.00 0.27 H new ATOM 0 HB THR A 107 1.109 -9.349 2.468 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.637 -6.709 2.138 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.542 -7.554 2.160 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.850 -8.486 3.645 1.00 0.27 H new ATOM 0 HG23 THR A 107 -0.097 -6.876 3.745 1.00 0.27 H new ATOM 1566 N ASP A 108 2.431 -10.971 3.612 1.00 0.40 N ATOM 1567 CA ASP A 108 3.348 -12.079 3.365 1.00 0.49 C ATOM 1568 C ASP A 108 4.598 -11.598 2.651 1.00 0.45 C ATOM 1569 O ASP A 108 5.715 -11.902 3.065 1.00 0.53 O ATOM 1570 CB ASP A 108 2.677 -13.164 2.523 1.00 0.60 C ATOM 1571 CG ASP A 108 1.588 -13.893 3.272 1.00 1.37 C ATOM 1572 OD1 ASP A 108 1.902 -14.850 4.007 1.00 2.16 O ATOM 1573 OD2 ASP A 108 0.412 -13.510 3.133 1.00 1.67 O ATOM 0 H ASP A 108 1.497 -11.104 3.224 1.00 0.40 H new ATOM 0 HA ASP A 108 3.625 -12.495 4.333 1.00 0.49 H new ATOM 0 HB2 ASP A 108 2.255 -12.712 1.625 1.00 0.60 H new ATOM 0 HB3 ASP A 108 3.430 -13.881 2.195 1.00 0.60 H new ATOM 1578 N SER A 109 4.406 -10.836 1.584 1.00 0.39 N ATOM 1579 CA SER A 109 5.526 -10.373 0.792 1.00 0.43 C ATOM 1580 C SER A 109 6.128 -9.110 1.399 1.00 0.53 C ATOM 1581 O SER A 109 7.271 -9.133 1.829 1.00 1.09 O ATOM 1582 CB SER A 109 5.075 -10.119 -0.651 1.00 0.47 C ATOM 1583 OG SER A 109 6.182 -9.992 -1.528 1.00 0.60 O ATOM 0 H SER A 109 3.491 -10.530 1.252 1.00 0.39 H new ATOM 0 HA SER A 109 6.296 -11.144 0.788 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.438 -10.939 -0.984 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.473 -9.211 -0.690 1.00 0.47 H new ATOM 0 HG SER A 109 7.015 -10.073 -1.018 1.00 0.60 H new ATOM 1589 N GLY A 110 5.361 -8.032 1.512 1.00 0.22 N ATOM 1590 CA GLY A 110 5.955 -6.798 1.960 1.00 0.19 C ATOM 1591 C GLY A 110 5.029 -5.934 2.781 1.00 0.16 C ATOM 1592 O GLY A 110 4.344 -6.410 3.683 1.00 0.24 O ATOM 0 H GLY A 110 4.363 -7.993 1.306 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.841 -7.027 2.552 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.289 -6.231 1.091 1.00 0.19 H new ATOM 1596 N LEU A 111 4.998 -4.665 2.432 1.00 0.12 N ATOM 1597 CA LEU A 111 4.342 -3.641 3.238 1.00 0.11 C ATOM 1598 C LEU A 111 3.213 -2.975 2.474 1.00 0.11 C ATOM 1599 O LEU A 111 3.264 -2.871 1.249 1.00 0.13 O ATOM 1600 CB LEU A 111 5.362 -2.581 3.639 1.00 0.12 C ATOM 1601 CG LEU A 111 5.993 -2.737 5.021 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.620 -4.110 5.193 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.030 -1.653 5.225 1.00 0.19 C ATOM 0 H LEU A 111 5.427 -4.307 1.579 1.00 0.12 H new ATOM 0 HA LEU A 111 3.925 -4.123 4.122 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.160 -2.577 2.897 1.00 0.12 H new ATOM 0 HB3 LEU A 111 4.878 -1.605 3.592 1.00 0.12 H new ATOM 0 HG LEU A 111 5.210 -2.639 5.773 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.060 -4.187 6.187 1.00 0.15 H new ATOM 0 HD12 LEU A 111 5.855 -4.877 5.074 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.396 -4.252 4.441 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.482 -1.762 6.211 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.802 -1.740 4.460 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.554 -0.675 5.151 1.00 0.19 H new ATOM 1615 N HIS A 112 2.200 -2.516 3.196 1.00 0.11 N ATOM 1616 CA HIS A 112 1.064 -1.851 2.573 1.00 0.12 C ATOM 1617 C HIS A 112 0.517 -0.723 3.440 1.00 0.14 C ATOM 1618 O HIS A 112 0.634 -0.746 4.663 1.00 0.22 O ATOM 1619 CB HIS A 112 -0.075 -2.841 2.308 1.00 0.14 C ATOM 1620 CG HIS A 112 0.196 -3.837 1.230 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.758 -5.062 1.282 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 -0.159 -3.635 -0.086 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.723 -5.581 0.013 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.165 -4.703 -0.794 1.00 0.21 N flip ATOM 0 H HIS A 112 2.142 -2.592 4.212 1.00 0.11 H new ATOM 0 HA HIS A 112 1.431 -1.437 1.634 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.293 -3.377 3.232 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.972 -2.279 2.046 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.628 -2.744 -0.477 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.093 -6.553 -0.277 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.009 -4.826 -1.795 1.00 0.21 H new ATOM 1633 N ILE A 113 -0.038 0.279 2.776 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.964 1.219 3.388 1.00 0.13 C ATOM 1635 C ILE A 113 -2.139 1.389 2.437 1.00 0.12 C ATOM 1636 O ILE A 113 -1.941 1.459 1.221 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.334 2.598 3.681 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.545 3.043 2.514 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.468 2.554 4.973 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.516 4.527 2.260 1.00 0.17 C ATOM 0 H ILE A 113 0.143 0.464 1.789 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.271 0.815 4.353 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.136 3.326 3.802 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.573 2.738 2.709 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.224 2.523 1.611 1.00 0.15 H new ATOM 0 HG21 ILE A 113 0.905 3.534 5.164 1.00 0.15 H new ATOM 0 HG22 ILE A 113 -0.188 2.282 5.800 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.263 1.814 4.883 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.165 4.765 1.417 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.504 4.837 2.032 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.866 5.055 3.147 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.352 1.402 2.964 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.533 1.452 2.117 1.00 0.11 C ATOM 1654 C ILE A 114 -5.488 2.544 2.583 1.00 0.11 C ATOM 1655 O ILE A 114 -5.602 2.807 3.776 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.301 0.101 2.098 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.348 -1.097 1.980 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.292 0.078 0.946 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.878 -1.646 3.313 1.00 0.18 C ATOM 0 H ILE A 114 -3.545 1.379 3.965 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.178 1.667 1.109 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.834 0.016 3.045 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.848 -1.892 1.427 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.478 -0.800 1.394 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.824 -0.873 0.943 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -7.006 0.893 1.064 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.757 0.198 0.004 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.209 -2.490 3.144 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.348 -0.867 3.861 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.739 -1.977 3.894 1.00 0.18 H new ATOM 1671 N LYS A 115 -6.156 3.188 1.636 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.199 4.146 1.959 1.00 0.14 C ATOM 1673 C LYS A 115 -8.475 3.763 1.219 1.00 0.15 C ATOM 1674 O LYS A 115 -8.420 3.286 0.082 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.769 5.576 1.591 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.945 5.931 0.123 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.508 7.359 -0.162 1.00 0.24 C ATOM 1678 CE LYS A 115 -7.055 7.862 -1.488 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.564 9.228 -1.805 1.00 0.61 N ATOM 0 H LYS A 115 -5.992 3.063 0.637 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.381 4.124 3.034 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.343 6.280 2.193 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.721 5.707 1.860 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.364 5.242 -0.491 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.990 5.806 -0.160 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.848 8.011 0.643 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.419 7.410 -0.175 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.764 7.177 -2.284 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -8.144 7.866 -1.454 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -6.959 9.536 -2.716 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -6.863 9.887 -1.058 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.526 9.219 -1.863 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.618 3.941 1.862 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.886 3.569 1.248 1.00 0.17 C ATOM 1695 C ARG A 116 -11.416 4.681 0.355 1.00 0.19 C ATOM 1696 O ARG A 116 -11.506 5.840 0.762 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.916 3.201 2.314 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.288 2.854 1.768 1.00 0.28 C ATOM 1699 CD ARG A 116 -14.118 2.117 2.805 1.00 0.49 C ATOM 1700 NE ARG A 116 -15.469 1.833 2.331 1.00 0.79 N ATOM 1701 CZ ARG A 116 -16.428 1.297 3.082 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -16.191 0.986 4.353 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -17.627 1.081 2.560 1.00 1.87 N ATOM 0 H ARG A 116 -9.696 4.336 2.799 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.707 2.694 0.623 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.541 2.352 2.886 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -12.015 4.035 3.009 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.804 3.765 1.466 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -13.183 2.236 0.876 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -13.623 1.182 3.066 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -14.172 2.714 3.715 1.00 0.49 H new ATOM 0 HE ARG A 116 -15.692 2.060 1.362 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -15.270 1.158 4.757 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -16.930 0.575 4.924 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -17.811 1.325 1.587 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -18.366 0.670 3.131 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.756 4.308 -0.865 1.00 0.22 N ATOM 1718 CA LEU A 117 -12.272 5.244 -1.851 1.00 0.27 C ATOM 1719 C LEU A 117 -13.793 5.193 -1.886 1.00 0.29 C ATOM 1720 O LEU A 117 -14.458 6.222 -2.017 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.711 4.905 -3.237 1.00 0.32 C ATOM 1722 CG LEU A 117 -10.328 5.476 -3.573 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -10.390 6.980 -3.738 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.309 5.110 -2.511 1.00 0.80 C ATOM 0 H LEU A 117 -11.683 3.348 -1.202 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.960 6.250 -1.572 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.664 3.820 -3.330 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.418 5.259 -3.987 1.00 0.32 H new ATOM 0 HG LEU A 117 -10.012 5.034 -4.518 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -9.397 7.361 -3.976 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -11.078 7.229 -4.546 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.740 7.434 -2.811 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.339 5.529 -2.778 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.626 5.512 -1.549 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -9.229 4.025 -2.442 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.331 3.987 -1.772 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.769 3.774 -1.802 1.00 0.30 C ATOM 1738 C ALA A 118 -16.120 2.451 -1.142 1.00 0.30 C ATOM 1739 O ALA A 118 -15.892 1.401 -1.766 1.00 1.10 O ATOM 1740 CB ALA A 118 -16.285 3.804 -3.234 1.00 0.39 C ATOM 1741 OXT ALA A 118 -16.614 2.467 0.001 1.00 1.09 O ATOM 0 H ALA A 118 -13.785 3.133 -1.657 1.00 0.26 H new ATOM 0 HA ALA A 118 -16.248 4.580 -1.246 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.363 3.643 -3.236 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -16.062 4.773 -3.681 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.800 3.018 -3.812 1.00 0.39 H new