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 107 THR OG1 : rot -127:sc= 0.936 USER MOD Set 1.2: A 112 HIS :FLIP no HD1:sc= -3.57! C(o=-4.6!,f=-2.6!) USER MOD Set 2.1: A 7 LYS NZ :NH3+ 176:sc= 1.13 (180deg=-0.00974) USER MOD Set 2.2: A 81 SER OG : rot -67:sc= 1.01 USER MOD Set 3.1: A 12 HIS : no HD1:sc= 0.343 K(o=2.1,f=-9.8!) USER MOD Set 3.2: A 66 SER OG : rot -52:sc= 1.28 USER MOD Set 3.3: A 68 CYS SG : rot 130:sc= 0.454 USER MOD Set 3.4: A 70 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 16 LYS NZ :NH3+ 157:sc= 2.38 (180deg=1.03) USER MOD Set 4.2: A 22 ASN : amide:sc= 0.956 K(o=3.3,f=-14!) USER MOD Single : A 18 SER OG : rot -79:sc= 1.22 USER MOD Single : A 20 SER OG : rot 61:sc= 1.2 USER MOD Single : A 25 SER OG : rot 180:sc= 0.237 USER MOD Single : A 28 THR OG1 : rot 141:sc= 0.31 USER MOD Single : A 31 SER OG : rot -36:sc= 0.516 USER MOD Single : A 32 THR OG1 : rot -161:sc= -0.296 USER MOD Single : A 36 THR OG1 : rot -89:sc= 1.45 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -125:sc= -0.593 (180deg=-2.17!) USER MOD Single : A 45 GLN :FLIP amide:sc=-0.00533 F(o=-1.7,f=-0.0053) USER MOD Single : A 46 LYS NZ :NH3+ -145:sc= -0.0558 (180deg=-0.346) USER MOD Single : A 48 SER OG : rot 180:sc=-0.00072 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 177:sc= -1.34! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 56:sc= 0.779 USER MOD Single : A 64 GLN : amide:sc= 0.978 K(o=0.98,f=-0.0037) 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 -136:sc= -0.647 (180deg=-2.82!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -170:sc= -0.0315 (180deg=-0.175) USER MOD Single : A 97 LYS NZ :NH3+ -172:sc= -0.0129 (180deg=-0.109) USER MOD Single : A 102 SER OG : rot 120:sc= 1.01 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 11:sc= -1.65! USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 7 -18.866 -5.343 -3.331 1.00 0.57 N ATOM 47 CA LYS A 7 -17.800 -4.596 -3.977 1.00 0.51 C ATOM 48 C LYS A 7 -17.355 -3.416 -3.123 1.00 0.42 C ATOM 49 O LYS A 7 -18.173 -2.643 -2.622 1.00 0.60 O ATOM 50 CB LYS A 7 -18.242 -4.117 -5.361 1.00 0.64 C ATOM 51 CG LYS A 7 -18.334 -5.233 -6.392 1.00 0.92 C ATOM 52 CD LYS A 7 -16.957 -5.724 -6.813 1.00 0.87 C ATOM 53 CE LYS A 7 -17.040 -6.794 -7.892 1.00 1.10 C ATOM 54 NZ LYS A 7 -17.616 -8.067 -7.381 1.00 1.19 N ATOM 0 HA LYS A 7 -16.948 -5.266 -4.094 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.215 -3.632 -5.275 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -17.540 -3.363 -5.716 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -18.906 -6.064 -5.979 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -18.877 -4.876 -7.267 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -16.369 -4.883 -7.180 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -16.433 -6.124 -5.945 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -17.650 -6.428 -8.718 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -16.043 -6.983 -8.291 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -17.716 -8.743 -8.165 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -16.986 -8.467 -6.657 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -18.550 -7.882 -6.963 1.00 1.19 H new ATOM 68 N LEU A 8 -16.051 -3.315 -2.960 1.00 0.33 N ATOM 69 CA LEU A 8 -15.408 -2.256 -2.206 1.00 0.26 C ATOM 70 C LEU A 8 -14.388 -1.591 -3.130 1.00 0.22 C ATOM 71 O LEU A 8 -14.071 -2.142 -4.185 1.00 0.22 O ATOM 72 CB LEU A 8 -14.720 -2.883 -0.984 1.00 0.25 C ATOM 73 CG LEU A 8 -14.706 -2.065 0.314 1.00 0.33 C ATOM 74 CD1 LEU A 8 -14.334 -2.957 1.488 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.725 -0.909 0.229 1.00 0.81 C ATOM 0 H LEU A 8 -15.392 -3.984 -3.358 1.00 0.33 H new ATOM 0 HA LEU A 8 -16.121 -1.509 -1.857 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.205 -3.837 -0.776 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.687 -3.103 -1.255 1.00 0.25 H new ATOM 0 HG LEU A 8 -15.706 -1.658 0.461 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -14.327 -2.368 2.405 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -15.064 -3.761 1.580 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -13.344 -3.383 1.322 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -13.740 -0.350 1.165 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.721 -1.296 0.053 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -14.009 -0.250 -0.592 1.00 0.81 H new ATOM 87 N ARG A 9 -13.883 -0.424 -2.764 1.00 0.24 N ATOM 88 CA ARG A 9 -12.864 0.239 -3.562 1.00 0.23 C ATOM 89 C ARG A 9 -11.871 0.949 -2.656 1.00 0.20 C ATOM 90 O ARG A 9 -12.263 1.724 -1.782 1.00 0.21 O ATOM 91 CB ARG A 9 -13.489 1.245 -4.527 1.00 0.25 C ATOM 92 CG ARG A 9 -12.457 1.924 -5.408 1.00 0.26 C ATOM 93 CD ARG A 9 -13.056 3.024 -6.261 1.00 0.34 C ATOM 94 NE ARG A 9 -12.018 3.737 -7.004 1.00 0.49 N ATOM 95 CZ ARG A 9 -12.251 4.525 -8.048 1.00 0.81 C ATOM 96 NH1 ARG A 9 -13.495 4.758 -8.453 1.00 1.06 N ATOM 97 NH2 ARG A 9 -11.232 5.096 -8.678 1.00 0.98 N ATOM 0 H ARG A 9 -14.160 0.082 -1.923 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.345 -0.522 -4.145 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -14.219 0.735 -5.155 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -14.030 2.001 -3.958 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.669 2.342 -4.782 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.990 1.181 -6.054 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.778 2.597 -6.957 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.600 3.724 -5.628 1.00 0.34 H new ATOM 0 HE ARG A 9 -11.051 3.622 -6.701 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -14.280 4.331 -7.961 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.665 5.364 -9.255 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -10.277 4.929 -8.360 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -11.403 5.702 -9.480 1.00 0.98 H new ATOM 111 N ALA A 10 -10.589 0.679 -2.854 1.00 0.20 N ATOM 112 CA ALA A 10 -9.557 1.295 -2.038 1.00 0.17 C ATOM 113 C ALA A 10 -8.250 1.464 -2.810 1.00 0.16 C ATOM 114 O ALA A 10 -7.951 0.699 -3.726 1.00 0.17 O ATOM 115 CB ALA A 10 -9.327 0.464 -0.784 1.00 0.22 C ATOM 0 H ALA A 10 -10.241 0.040 -3.569 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.900 2.290 -1.756 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.552 0.930 -0.176 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.252 0.406 -0.211 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -9.011 -0.540 -1.066 1.00 0.22 H new ATOM 121 N ALA A 11 -7.484 2.477 -2.427 1.00 0.17 N ATOM 122 CA ALA A 11 -6.177 2.732 -3.014 1.00 0.18 C ATOM 123 C ALA A 11 -5.099 2.237 -2.063 1.00 0.17 C ATOM 124 O ALA A 11 -5.201 2.441 -0.855 1.00 0.19 O ATOM 125 CB ALA A 11 -5.995 4.219 -3.299 1.00 0.20 C ATOM 0 H ALA A 11 -7.751 3.143 -1.702 1.00 0.17 H new ATOM 0 HA ALA A 11 -6.099 2.198 -3.961 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -5.011 4.388 -3.737 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.765 4.553 -3.995 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -6.079 4.781 -2.369 1.00 0.20 H new ATOM 131 N HIS A 12 -4.071 1.595 -2.594 1.00 0.16 N ATOM 132 CA HIS A 12 -3.089 0.937 -1.743 1.00 0.16 C ATOM 133 C HIS A 12 -1.664 1.164 -2.240 1.00 0.15 C ATOM 134 O HIS A 12 -1.432 1.363 -3.430 1.00 0.19 O ATOM 135 CB HIS A 12 -3.374 -0.566 -1.667 1.00 0.17 C ATOM 136 CG HIS A 12 -2.959 -1.337 -2.885 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.675 -1.345 -4.057 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.885 -2.134 -3.100 1.00 0.22 C ATOM 139 CE1 HIS A 12 -3.061 -2.119 -4.932 1.00 0.23 C ATOM 140 NE2 HIS A 12 -1.975 -2.608 -4.378 1.00 0.21 N ATOM 0 H HIS A 12 -3.895 1.515 -3.595 1.00 0.16 H new ATOM 0 HA HIS A 12 -3.174 1.377 -0.749 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.860 -0.978 -0.799 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.442 -0.713 -1.505 1.00 0.17 H new ATOM 0 HD2 HIS A 12 -1.101 -2.354 -2.391 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.397 -2.318 -5.939 1.00 0.23 H new ATOM 0 HE2 HIS A 12 -1.310 -3.237 -4.827 1.00 0.21 H new ATOM 149 N LEU A 13 -0.719 1.108 -1.316 1.00 0.15 N ATOM 150 CA LEU A 13 0.694 1.221 -1.644 1.00 0.14 C ATOM 151 C LEU A 13 1.403 -0.051 -1.180 1.00 0.16 C ATOM 152 O LEU A 13 1.009 -0.649 -0.179 1.00 0.24 O ATOM 153 CB LEU A 13 1.288 2.475 -0.974 1.00 0.15 C ATOM 154 CG LEU A 13 2.580 3.028 -1.592 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.762 4.490 -1.223 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.792 2.233 -1.134 1.00 0.18 C ATOM 0 H LEU A 13 -0.908 0.983 -0.321 1.00 0.15 H new ATOM 0 HA LEU A 13 0.830 1.328 -2.720 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.535 3.263 -0.993 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.481 2.244 0.074 1.00 0.15 H new ATOM 0 HG LEU A 13 2.494 2.937 -2.675 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.683 4.866 -1.669 1.00 0.16 H new ATOM 0 HD12 LEU A 13 1.916 5.067 -1.596 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.818 4.587 -0.139 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.692 2.648 -1.588 1.00 0.18 H new ATOM 0 HD22 LEU A 13 3.874 2.288 -0.049 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.680 1.192 -1.437 1.00 0.18 H new ATOM 168 N LEU A 14 2.411 -0.480 -1.927 1.00 0.13 N ATOM 169 CA LEU A 14 3.137 -1.706 -1.613 1.00 0.14 C ATOM 170 C LEU A 14 4.638 -1.470 -1.636 1.00 0.16 C ATOM 171 O LEU A 14 5.199 -1.117 -2.669 1.00 0.27 O ATOM 172 CB LEU A 14 2.776 -2.807 -2.617 1.00 0.16 C ATOM 173 CG LEU A 14 3.620 -4.091 -2.536 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.592 -4.695 -1.139 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.126 -5.101 -3.557 1.00 0.27 C ATOM 0 H LEU A 14 2.747 0.005 -2.759 1.00 0.13 H new ATOM 0 HA LEU A 14 2.848 -2.020 -0.610 1.00 0.14 H new ATOM 0 HB2 LEU A 14 1.729 -3.074 -2.474 1.00 0.16 H new ATOM 0 HB3 LEU A 14 2.866 -2.398 -3.623 1.00 0.16 H new ATOM 0 HG LEU A 14 4.654 -3.828 -2.759 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.199 -5.600 -1.122 1.00 0.18 H new ATOM 0 HD12 LEU A 14 3.992 -3.976 -0.424 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.565 -4.942 -0.870 1.00 0.18 H new ATOM 0 HD21 LEU A 14 3.729 -6.007 -3.493 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.083 -5.344 -3.353 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.211 -4.678 -4.558 1.00 0.27 H new ATOM 187 N VAL A 15 5.280 -1.669 -0.502 1.00 0.13 N ATOM 188 CA VAL A 15 6.726 -1.555 -0.421 1.00 0.13 C ATOM 189 C VAL A 15 7.344 -2.943 -0.344 1.00 0.13 C ATOM 190 O VAL A 15 6.875 -3.799 0.409 1.00 0.15 O ATOM 191 CB VAL A 15 7.177 -0.722 0.802 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.693 -0.606 0.848 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.546 0.658 0.771 1.00 0.15 C ATOM 0 H VAL A 15 4.824 -1.911 0.378 1.00 0.13 H new ATOM 0 HA VAL A 15 7.066 -1.038 -1.318 1.00 0.13 H new ATOM 0 HB VAL A 15 6.843 -1.238 1.703 1.00 0.13 H new ATOM 0 HG11 VAL A 15 8.987 -0.016 1.716 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.132 -1.601 0.920 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.048 -0.118 -0.059 1.00 0.13 H new ATOM 0 HG21 VAL A 15 6.876 1.228 1.639 1.00 0.15 H new ATOM 0 HG22 VAL A 15 6.848 1.176 -0.139 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.460 0.562 0.791 1.00 0.15 H new ATOM 203 N LYS A 16 8.370 -3.165 -1.145 1.00 0.15 N ATOM 204 CA LYS A 16 9.086 -4.426 -1.135 1.00 0.17 C ATOM 205 C LYS A 16 10.429 -4.252 -0.447 1.00 0.16 C ATOM 206 O LYS A 16 11.115 -3.251 -0.648 1.00 0.24 O ATOM 207 CB LYS A 16 9.294 -4.940 -2.563 1.00 0.23 C ATOM 208 CG LYS A 16 8.018 -5.395 -3.248 1.00 0.26 C ATOM 209 CD LYS A 16 7.511 -6.698 -2.659 1.00 0.37 C ATOM 210 CE LYS A 16 6.174 -7.104 -3.253 1.00 0.48 C ATOM 211 NZ LYS A 16 6.271 -7.424 -4.700 1.00 0.62 N ATOM 0 H LYS A 16 8.727 -2.483 -1.814 1.00 0.15 H new ATOM 0 HA LYS A 16 8.493 -5.158 -0.587 1.00 0.17 H new ATOM 0 HB2 LYS A 16 9.752 -4.151 -3.159 1.00 0.23 H new ATOM 0 HB3 LYS A 16 9.998 -5.772 -2.540 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.253 -4.625 -3.145 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.201 -5.522 -4.315 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.242 -7.486 -2.838 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.412 -6.594 -1.579 1.00 0.37 H new ATOM 0 HE2 LYS A 16 5.790 -7.972 -2.717 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.456 -6.297 -3.110 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 5.483 -8.046 -4.972 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 6.225 -6.545 -5.254 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.173 -7.906 -4.889 1.00 0.62 H new ATOM 225 N PHE A 17 10.787 -5.223 0.367 1.00 0.17 N ATOM 226 CA PHE A 17 12.054 -5.219 1.072 1.00 0.17 C ATOM 227 C PHE A 17 12.736 -6.566 0.890 1.00 0.19 C ATOM 228 O PHE A 17 12.108 -7.525 0.441 1.00 0.21 O ATOM 229 CB PHE A 17 11.862 -4.899 2.562 1.00 0.17 C ATOM 230 CG PHE A 17 10.998 -5.872 3.320 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.522 -7.061 3.804 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.661 -5.591 3.556 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.731 -7.952 4.503 1.00 0.23 C ATOM 234 CE2 PHE A 17 8.867 -6.478 4.257 1.00 0.23 C ATOM 235 CZ PHE A 17 9.401 -7.660 4.730 1.00 0.25 C ATOM 0 H PHE A 17 10.207 -6.040 0.560 1.00 0.17 H new ATOM 0 HA PHE A 17 12.687 -4.437 0.653 1.00 0.17 H new ATOM 0 HB2 PHE A 17 12.842 -4.860 3.038 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.425 -3.904 2.650 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.563 -7.294 3.632 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.236 -4.669 3.188 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.152 -8.876 4.871 1.00 0.23 H new ATOM 0 HE2 PHE A 17 7.827 -6.246 4.435 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.780 -8.354 5.276 1.00 0.25 H new ATOM 245 N SER A 18 14.024 -6.619 1.170 1.00 0.22 N ATOM 246 CA SER A 18 14.763 -7.867 1.106 1.00 0.26 C ATOM 247 C SER A 18 14.066 -8.941 1.950 1.00 0.30 C ATOM 248 O SER A 18 14.042 -8.868 3.180 1.00 0.30 O ATOM 249 CB SER A 18 16.200 -7.635 1.584 1.00 0.29 C ATOM 250 OG SER A 18 16.229 -7.033 2.870 1.00 1.04 O ATOM 0 H SER A 18 14.582 -5.811 1.445 1.00 0.22 H new ATOM 0 HA SER A 18 14.792 -8.220 0.075 1.00 0.26 H new ATOM 0 HB2 SER A 18 16.733 -8.585 1.614 1.00 0.29 H new ATOM 0 HB3 SER A 18 16.724 -6.998 0.871 1.00 0.29 H new ATOM 0 HG SER A 18 16.052 -6.073 2.786 1.00 1.04 H new ATOM 256 N GLY A 19 13.479 -9.924 1.278 1.00 0.35 N ATOM 257 CA GLY A 19 12.749 -10.962 1.976 1.00 0.45 C ATOM 258 C GLY A 19 11.244 -10.856 1.798 1.00 0.42 C ATOM 259 O GLY A 19 10.488 -11.581 2.441 1.00 0.53 O ATOM 0 H GLY A 19 13.496 -10.020 0.263 1.00 0.35 H new ATOM 0 HA2 GLY A 19 13.083 -11.936 1.618 1.00 0.45 H new ATOM 0 HA3 GLY A 19 12.987 -10.914 3.039 1.00 0.45 H new ATOM 263 N SER A 20 10.801 -9.961 0.922 1.00 0.34 N ATOM 264 CA SER A 20 9.375 -9.778 0.667 1.00 0.41 C ATOM 265 C SER A 20 8.852 -10.776 -0.362 1.00 0.40 C ATOM 266 O SER A 20 8.037 -10.419 -1.217 1.00 0.45 O ATOM 267 CB SER A 20 9.115 -8.360 0.174 1.00 0.51 C ATOM 268 OG SER A 20 9.416 -7.413 1.173 1.00 0.70 O ATOM 0 H SER A 20 11.408 -9.350 0.376 1.00 0.34 H new ATOM 0 HA SER A 20 8.847 -9.950 1.605 1.00 0.41 H new ATOM 0 HB2 SER A 20 9.719 -8.163 -0.712 1.00 0.51 H new ATOM 0 HB3 SER A 20 8.071 -8.261 -0.123 1.00 0.51 H new ATOM 0 HG SER A 20 10.365 -7.477 1.409 1.00 0.70 H new ATOM 274 N ARG A 21 9.343 -12.015 -0.286 1.00 0.43 N ATOM 275 CA ARG A 21 8.940 -13.096 -1.187 1.00 0.49 C ATOM 276 C ARG A 21 9.531 -12.892 -2.586 1.00 0.51 C ATOM 277 O ARG A 21 9.865 -13.851 -3.283 1.00 0.60 O ATOM 278 CB ARG A 21 7.413 -13.209 -1.229 1.00 0.58 C ATOM 279 CG ARG A 21 6.900 -14.427 -1.967 1.00 1.25 C ATOM 280 CD ARG A 21 5.408 -14.589 -1.755 1.00 1.25 C ATOM 281 NE ARG A 21 4.897 -15.818 -2.354 1.00 2.28 N ATOM 282 CZ ARG A 21 4.488 -16.872 -1.649 1.00 2.47 C ATOM 283 NH1 ARG A 21 4.559 -16.862 -0.321 1.00 1.89 N ATOM 284 NH2 ARG A 21 4.014 -17.943 -2.272 1.00 3.49 N ATOM 0 H ARG A 21 10.036 -12.298 0.407 1.00 0.43 H new ATOM 0 HA ARG A 21 9.336 -14.037 -0.804 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.033 -13.231 -0.207 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.007 -12.314 -1.701 1.00 0.58 H new ATOM 0 HG2 ARG A 21 7.113 -14.331 -3.032 1.00 1.25 H new ATOM 0 HG3 ARG A 21 7.422 -15.318 -1.617 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.192 -14.591 -0.687 1.00 1.25 H new ATOM 0 HD3 ARG A 21 4.887 -13.733 -2.184 1.00 1.25 H new ATOM 0 HE ARG A 21 4.850 -15.873 -3.371 1.00 2.28 H new ATOM 0 HH11 ARG A 21 4.928 -16.044 0.164 1.00 1.89 H new ATOM 0 HH12 ARG A 21 4.244 -17.672 0.213 1.00 1.89 H new ATOM 0 HH21 ARG A 21 3.963 -17.960 -3.291 1.00 3.49 H new ATOM 0 HH22 ARG A 21 3.701 -18.750 -1.732 1.00 3.49 H new ATOM 298 N ASN A 22 9.651 -11.634 -2.984 1.00 0.51 N ATOM 299 CA ASN A 22 10.346 -11.258 -4.202 1.00 0.62 C ATOM 300 C ASN A 22 11.056 -9.921 -3.983 1.00 0.58 C ATOM 301 O ASN A 22 10.422 -8.884 -3.793 1.00 0.64 O ATOM 302 CB ASN A 22 9.381 -11.200 -5.397 1.00 0.87 C ATOM 303 CG ASN A 22 8.176 -10.301 -5.176 1.00 0.93 C ATOM 304 OD1 ASN A 22 8.214 -9.105 -5.461 1.00 1.77 O ATOM 305 ND2 ASN A 22 7.086 -10.879 -4.686 1.00 0.80 N ATOM 0 H ASN A 22 9.266 -10.843 -2.467 1.00 0.51 H new ATOM 0 HA ASN A 22 11.092 -12.016 -4.440 1.00 0.62 H new ATOM 0 HB2 ASN A 22 9.926 -10.851 -6.274 1.00 0.87 H new ATOM 0 HB3 ASN A 22 9.033 -12.209 -5.619 1.00 0.87 H new ATOM 0 HD21 ASN A 22 6.241 -10.328 -4.534 1.00 0.80 H new ATOM 0 HD22 ASN A 22 7.093 -11.874 -4.462 1.00 0.80 H new ATOM 312 N PRO A 23 12.395 -9.942 -3.956 1.00 0.55 N ATOM 313 CA PRO A 23 13.201 -8.772 -3.613 1.00 0.61 C ATOM 314 C PRO A 23 13.426 -7.808 -4.784 1.00 0.79 C ATOM 315 O PRO A 23 14.562 -7.527 -5.158 1.00 1.71 O ATOM 316 CB PRO A 23 14.520 -9.396 -3.169 1.00 0.66 C ATOM 317 CG PRO A 23 14.636 -10.647 -3.975 1.00 0.73 C ATOM 318 CD PRO A 23 13.233 -11.122 -4.245 1.00 0.57 C ATOM 0 HA PRO A 23 12.711 -8.154 -2.860 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.358 -8.725 -3.356 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.516 -9.612 -2.101 1.00 0.66 H new ATOM 0 HG2 PRO A 23 15.166 -10.458 -4.908 1.00 0.73 H new ATOM 0 HG3 PRO A 23 15.203 -11.404 -3.434 1.00 0.73 H new ATOM 0 HD2 PRO A 23 13.115 -11.452 -5.277 1.00 0.57 H new ATOM 0 HD3 PRO A 23 12.968 -11.966 -3.608 1.00 0.57 H new ATOM 326 N VAL A 24 12.337 -7.282 -5.333 1.00 0.39 N ATOM 327 CA VAL A 24 12.391 -6.274 -6.394 1.00 0.36 C ATOM 328 C VAL A 24 11.221 -5.310 -6.236 1.00 0.32 C ATOM 329 O VAL A 24 10.069 -5.734 -6.235 1.00 0.35 O ATOM 330 CB VAL A 24 12.317 -6.885 -7.816 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.477 -5.793 -8.868 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.360 -7.975 -8.018 1.00 0.48 C ATOM 0 H VAL A 24 11.390 -7.540 -5.057 1.00 0.39 H new ATOM 0 HA VAL A 24 13.351 -5.767 -6.293 1.00 0.36 H new ATOM 0 HB VAL A 24 11.336 -7.347 -7.927 1.00 0.42 H new ATOM 0 HG11 VAL A 24 12.423 -6.235 -9.863 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.680 -5.058 -8.754 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.443 -5.304 -8.740 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.275 -8.378 -9.027 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.356 -7.556 -7.877 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.197 -8.773 -7.294 1.00 0.48 H new ATOM 342 N SER A 25 11.516 -4.029 -6.067 1.00 0.32 N ATOM 343 CA SER A 25 10.476 -3.016 -5.940 1.00 0.32 C ATOM 344 C SER A 25 10.360 -2.209 -7.235 1.00 0.32 C ATOM 345 O SER A 25 11.341 -2.068 -7.962 1.00 0.36 O ATOM 346 CB SER A 25 10.811 -2.088 -4.767 1.00 0.42 C ATOM 347 OG SER A 25 9.801 -1.112 -4.575 1.00 1.12 O ATOM 0 H SER A 25 12.468 -3.665 -6.015 1.00 0.32 H new ATOM 0 HA SER A 25 9.520 -3.505 -5.752 1.00 0.32 H new ATOM 0 HB2 SER A 25 10.928 -2.677 -3.857 1.00 0.42 H new ATOM 0 HB3 SER A 25 11.765 -1.595 -4.952 1.00 0.42 H new ATOM 0 HG SER A 25 10.042 -0.536 -3.819 1.00 1.12 H new ATOM 353 N ARG A 26 9.165 -1.673 -7.516 1.00 0.32 N ATOM 354 CA ARG A 26 8.979 -0.743 -8.631 1.00 0.34 C ATOM 355 C ARG A 26 9.708 0.560 -8.341 1.00 0.37 C ATOM 356 O ARG A 26 9.830 1.429 -9.203 1.00 0.44 O ATOM 357 CB ARG A 26 7.500 -0.438 -8.894 1.00 0.39 C ATOM 358 CG ARG A 26 6.699 -1.588 -9.499 1.00 0.52 C ATOM 359 CD ARG A 26 7.416 -2.245 -10.661 1.00 0.82 C ATOM 360 NE ARG A 26 8.234 -3.372 -10.217 1.00 1.21 N ATOM 361 CZ ARG A 26 9.098 -4.018 -10.994 1.00 1.88 C ATOM 362 NH1 ARG A 26 9.305 -3.620 -12.243 1.00 2.47 N ATOM 363 NH2 ARG A 26 9.761 -5.063 -10.518 1.00 2.54 N ATOM 0 H ARG A 26 8.316 -1.869 -6.986 1.00 0.32 H new ATOM 0 HA ARG A 26 9.388 -1.222 -9.521 1.00 0.34 H new ATOM 0 HB2 ARG A 26 7.033 -0.146 -7.954 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.435 0.420 -9.563 1.00 0.39 H new ATOM 0 HG2 ARG A 26 6.502 -2.334 -8.729 1.00 0.52 H new ATOM 0 HG3 ARG A 26 5.732 -1.215 -9.837 1.00 0.52 H new ATOM 0 HD2 ARG A 26 6.685 -2.590 -11.393 1.00 0.82 H new ATOM 0 HD3 ARG A 26 8.047 -1.511 -11.162 1.00 0.82 H new ATOM 0 HE ARG A 26 8.136 -3.682 -9.250 1.00 1.21 H new ATOM 0 HH11 ARG A 26 8.800 -2.814 -12.612 1.00 2.47 H new ATOM 0 HH12 ARG A 26 9.969 -4.120 -12.834 1.00 2.47 H new ATOM 0 HH21 ARG A 26 9.608 -5.370 -9.557 1.00 2.54 H new ATOM 0 HH22 ARG A 26 10.424 -5.560 -11.112 1.00 2.54 H new ATOM 377 N ARG A 27 10.175 0.687 -7.107 1.00 0.36 N ATOM 378 CA ARG A 27 10.936 1.847 -6.688 1.00 0.44 C ATOM 379 C ARG A 27 12.354 1.755 -7.229 1.00 0.53 C ATOM 380 O ARG A 27 12.959 2.759 -7.598 1.00 0.73 O ATOM 381 CB ARG A 27 10.986 1.927 -5.164 1.00 0.52 C ATOM 382 CG ARG A 27 11.223 3.330 -4.635 1.00 0.55 C ATOM 383 CD ARG A 27 12.039 3.322 -3.353 1.00 0.70 C ATOM 384 NE ARG A 27 13.429 2.953 -3.605 1.00 0.91 N ATOM 385 CZ ARG A 27 14.292 2.572 -2.666 1.00 1.12 C ATOM 386 NH1 ARG A 27 13.925 2.512 -1.391 1.00 1.77 N ATOM 387 NH2 ARG A 27 15.536 2.270 -3.011 1.00 1.63 N ATOM 0 H ARG A 27 10.036 -0.009 -6.374 1.00 0.36 H new ATOM 0 HA ARG A 27 10.449 2.741 -7.078 1.00 0.44 H new ATOM 0 HB2 ARG A 27 10.048 1.549 -4.758 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.778 1.272 -4.800 1.00 0.52 H new ATOM 0 HG2 ARG A 27 11.741 3.920 -5.391 1.00 0.55 H new ATOM 0 HG3 ARG A 27 10.265 3.816 -4.452 1.00 0.55 H new ATOM 0 HD2 ARG A 27 12.002 4.308 -2.891 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.598 2.621 -2.644 1.00 0.70 H new ATOM 0 HE ARG A 27 13.762 2.990 -4.568 1.00 0.91 H new ATOM 0 HH11 ARG A 27 12.973 2.759 -1.122 1.00 1.77 H new ATOM 0 HH12 ARG A 27 14.595 2.219 -0.681 1.00 1.77 H new ATOM 0 HH21 ARG A 27 15.823 2.331 -3.988 1.00 1.63 H new ATOM 0 HH22 ARG A 27 16.206 1.977 -2.300 1.00 1.63 H new ATOM 401 N THR A 28 12.878 0.536 -7.278 1.00 0.45 N ATOM 402 CA THR A 28 14.254 0.319 -7.688 1.00 0.53 C ATOM 403 C THR A 28 14.321 -0.249 -9.098 1.00 0.55 C ATOM 404 O THR A 28 15.218 0.078 -9.872 1.00 0.67 O ATOM 405 CB THR A 28 14.958 -0.654 -6.721 1.00 0.55 C ATOM 406 OG1 THR A 28 14.323 -1.938 -6.758 1.00 0.55 O ATOM 407 CG2 THR A 28 14.907 -0.135 -5.299 1.00 0.53 C ATOM 0 H THR A 28 12.369 -0.315 -7.038 1.00 0.45 H new ATOM 0 HA THR A 28 14.759 1.285 -7.669 1.00 0.53 H new ATOM 0 HB THR A 28 15.997 -0.740 -7.039 1.00 0.55 H new ATOM 0 HG1 THR A 28 15.004 -2.641 -6.706 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.410 -0.839 -4.636 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.406 0.833 -5.247 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.868 -0.024 -4.989 1.00 0.53 H new ATOM 415 N GLY A 29 13.351 -1.089 -9.425 1.00 0.47 N ATOM 416 CA GLY A 29 13.292 -1.697 -10.741 1.00 0.52 C ATOM 417 C GLY A 29 14.144 -2.948 -10.850 1.00 0.58 C ATOM 418 O GLY A 29 13.736 -3.931 -11.473 1.00 0.82 O ATOM 0 H GLY A 29 12.596 -1.364 -8.797 1.00 0.47 H new ATOM 0 HA2 GLY A 29 12.257 -1.946 -10.975 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.621 -0.973 -11.486 1.00 0.52 H new ATOM 422 N ASP A 30 15.323 -2.923 -10.240 1.00 0.53 N ATOM 423 CA ASP A 30 16.246 -4.047 -10.309 1.00 0.58 C ATOM 424 C ASP A 30 16.025 -5.006 -9.139 1.00 0.55 C ATOM 425 O ASP A 30 15.616 -6.148 -9.339 1.00 0.84 O ATOM 426 CB ASP A 30 17.705 -3.555 -10.356 1.00 0.67 C ATOM 427 CG ASP A 30 18.129 -2.796 -9.112 1.00 1.31 C ATOM 428 OD1 ASP A 30 17.703 -1.637 -8.941 1.00 1.69 O ATOM 429 OD2 ASP A 30 18.864 -3.371 -8.283 1.00 2.10 O ATOM 0 H ASP A 30 15.662 -2.133 -9.691 1.00 0.53 H new ATOM 0 HA ASP A 30 16.047 -4.594 -11.231 1.00 0.58 H new ATOM 0 HB2 ASP A 30 18.365 -4.412 -10.491 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.835 -2.912 -11.226 1.00 0.67 H new ATOM 434 N SER A 31 16.294 -4.547 -7.926 1.00 0.53 N ATOM 435 CA SER A 31 16.097 -5.355 -6.736 1.00 0.50 C ATOM 436 C SER A 31 15.893 -4.467 -5.518 1.00 0.42 C ATOM 437 O SER A 31 16.270 -3.297 -5.526 1.00 0.48 O ATOM 438 CB SER A 31 17.292 -6.285 -6.518 1.00 0.62 C ATOM 439 OG SER A 31 18.519 -5.586 -6.651 1.00 1.08 O ATOM 0 H SER A 31 16.653 -3.610 -7.741 1.00 0.53 H new ATOM 0 HA SER A 31 15.203 -5.963 -6.877 1.00 0.50 H new ATOM 0 HB2 SER A 31 17.231 -6.732 -5.526 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.256 -7.102 -7.239 1.00 0.62 H new ATOM 0 HG SER A 31 18.438 -4.914 -7.360 1.00 1.08 H new ATOM 445 N THR A 32 15.270 -5.014 -4.492 1.00 0.34 N ATOM 446 CA THR A 32 15.128 -4.313 -3.224 1.00 0.29 C ATOM 447 C THR A 32 15.765 -5.152 -2.112 1.00 0.27 C ATOM 448 O THR A 32 15.322 -5.168 -0.965 1.00 0.28 O ATOM 449 CB THR A 32 13.644 -3.994 -2.922 1.00 0.27 C ATOM 450 OG1 THR A 32 13.518 -3.183 -1.758 1.00 0.27 O ATOM 451 CG2 THR A 32 12.825 -5.260 -2.750 1.00 0.29 C ATOM 0 H THR A 32 14.852 -5.944 -4.509 1.00 0.34 H new ATOM 0 HA THR A 32 15.646 -3.356 -3.282 1.00 0.29 H new ATOM 0 HB THR A 32 13.258 -3.444 -3.780 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.602 -3.245 -1.414 1.00 0.27 H new ATOM 0 HG21 THR A 32 11.788 -4.997 -2.539 1.00 0.29 H new ATOM 0 HG22 THR A 32 12.871 -5.850 -3.665 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.227 -5.844 -1.922 1.00 0.29 H new ATOM 459 N ALA A 33 16.838 -5.840 -2.478 1.00 0.31 N ATOM 460 CA ALA A 33 17.499 -6.789 -1.595 1.00 0.32 C ATOM 461 C ALA A 33 18.403 -6.094 -0.574 1.00 0.34 C ATOM 462 O ALA A 33 18.956 -6.740 0.318 1.00 0.37 O ATOM 463 CB ALA A 33 18.299 -7.782 -2.420 1.00 0.37 C ATOM 0 H ALA A 33 17.274 -5.755 -3.396 1.00 0.31 H new ATOM 0 HA ALA A 33 16.728 -7.315 -1.033 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.793 -8.492 -1.756 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.630 -8.319 -3.092 1.00 0.37 H new ATOM 0 HB3 ALA A 33 19.049 -7.249 -3.004 1.00 0.37 H new ATOM 469 N ASP A 34 18.555 -4.786 -0.707 1.00 0.35 N ATOM 470 CA ASP A 34 19.422 -4.027 0.193 1.00 0.40 C ATOM 471 C ASP A 34 18.616 -3.359 1.299 1.00 0.36 C ATOM 472 O ASP A 34 19.133 -3.087 2.380 1.00 0.43 O ATOM 473 CB ASP A 34 20.209 -2.966 -0.582 1.00 0.49 C ATOM 474 CG ASP A 34 21.180 -2.208 0.304 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.256 -2.759 0.623 1.00 1.31 O ATOM 476 OD2 ASP A 34 20.869 -1.062 0.696 1.00 2.21 O ATOM 0 H ASP A 34 18.094 -4.226 -1.424 1.00 0.35 H new ATOM 0 HA ASP A 34 20.121 -4.730 0.647 1.00 0.40 H new ATOM 0 HB2 ASP A 34 20.758 -3.444 -1.393 1.00 0.49 H new ATOM 0 HB3 ASP A 34 19.513 -2.263 -1.040 1.00 0.49 H new ATOM 481 N VAL A 35 17.346 -3.113 1.031 1.00 0.31 N ATOM 482 CA VAL A 35 16.480 -2.455 1.998 1.00 0.28 C ATOM 483 C VAL A 35 15.781 -3.499 2.865 1.00 0.25 C ATOM 484 O VAL A 35 15.310 -4.524 2.368 1.00 0.25 O ATOM 485 CB VAL A 35 15.462 -1.499 1.306 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.454 -1.700 -0.203 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.058 -1.661 1.874 1.00 0.26 C ATOM 0 H VAL A 35 16.890 -3.358 0.152 1.00 0.31 H new ATOM 0 HA VAL A 35 17.097 -1.830 2.644 1.00 0.28 H new ATOM 0 HB VAL A 35 15.789 -0.480 1.514 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.734 -1.019 -0.657 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.448 -1.497 -0.602 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.175 -2.728 -0.432 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.379 -0.977 1.365 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.721 -2.687 1.724 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.069 -1.435 2.940 1.00 0.26 H new ATOM 497 N THR A 36 15.745 -3.246 4.166 1.00 0.25 N ATOM 498 CA THR A 36 15.191 -4.194 5.116 1.00 0.27 C ATOM 499 C THR A 36 13.740 -3.858 5.380 1.00 0.23 C ATOM 500 O THR A 36 13.234 -2.875 4.842 1.00 0.20 O ATOM 501 CB THR A 36 15.959 -4.162 6.449 1.00 0.31 C ATOM 502 OG1 THR A 36 15.938 -2.834 6.988 1.00 0.30 O ATOM 503 CG2 THR A 36 17.397 -4.625 6.264 1.00 0.39 C ATOM 0 H THR A 36 16.096 -2.386 4.587 1.00 0.25 H new ATOM 0 HA THR A 36 15.279 -5.192 4.686 1.00 0.27 H new ATOM 0 HB THR A 36 15.470 -4.845 7.144 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.701 -2.327 6.639 1.00 0.30 H new ATOM 0 HG21 THR A 36 17.916 -4.592 7.222 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.404 -5.646 5.882 1.00 0.39 H new ATOM 0 HG23 THR A 36 17.902 -3.969 5.555 1.00 0.39 H new ATOM 511 N TYR A 37 13.063 -4.634 6.213 1.00 0.26 N ATOM 512 CA TYR A 37 11.691 -4.305 6.551 1.00 0.27 C ATOM 513 C TYR A 37 11.662 -2.982 7.313 1.00 0.23 C ATOM 514 O TYR A 37 10.688 -2.242 7.248 1.00 0.23 O ATOM 515 CB TYR A 37 11.015 -5.436 7.345 1.00 0.38 C ATOM 516 CG TYR A 37 11.279 -5.439 8.837 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.483 -5.896 9.358 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.303 -5.006 9.724 1.00 1.16 C ATOM 519 CE1 TYR A 37 12.705 -5.919 10.722 1.00 0.74 C ATOM 520 CE2 TYR A 37 10.520 -5.020 11.087 1.00 1.53 C ATOM 521 CZ TYR A 37 11.720 -5.479 11.580 1.00 1.12 C ATOM 522 OH TYR A 37 11.933 -5.505 12.938 1.00 1.50 O ATOM 0 H TYR A 37 13.431 -5.475 6.657 1.00 0.26 H new ATOM 0 HA TYR A 37 11.118 -4.193 5.631 1.00 0.27 H new ATOM 0 HB2 TYR A 37 9.939 -5.374 7.185 1.00 0.38 H new ATOM 0 HB3 TYR A 37 11.344 -6.391 6.934 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.257 -6.238 8.687 1.00 0.68 H new ATOM 0 HD2 TYR A 37 9.357 -4.652 9.341 1.00 1.16 H new ATOM 0 HE1 TYR A 37 13.645 -6.280 11.113 1.00 0.74 H new ATOM 0 HE2 TYR A 37 9.752 -4.673 11.763 1.00 1.53 H new ATOM 0 HH TYR A 37 11.141 -5.160 13.400 1.00 1.50 H new ATOM 532 N GLU A 38 12.769 -2.666 7.987 1.00 0.23 N ATOM 533 CA GLU A 38 12.891 -1.410 8.716 1.00 0.24 C ATOM 534 C GLU A 38 13.104 -0.249 7.753 1.00 0.24 C ATOM 535 O GLU A 38 12.480 0.801 7.892 1.00 0.26 O ATOM 536 CB GLU A 38 14.043 -1.466 9.718 1.00 0.29 C ATOM 537 CG GLU A 38 13.875 -2.532 10.785 1.00 0.35 C ATOM 538 CD GLU A 38 14.957 -2.461 11.837 1.00 0.67 C ATOM 539 OE1 GLU A 38 16.127 -2.762 11.517 1.00 0.96 O ATOM 540 OE2 GLU A 38 14.640 -2.124 12.999 1.00 0.93 O ATOM 0 H GLU A 38 13.593 -3.265 8.041 1.00 0.23 H new ATOM 0 HA GLU A 38 11.961 -1.253 9.263 1.00 0.24 H new ATOM 0 HB2 GLU A 38 14.973 -1.648 9.179 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.140 -0.494 10.201 1.00 0.29 H new ATOM 0 HG2 GLU A 38 12.901 -2.418 11.260 1.00 0.35 H new ATOM 0 HG3 GLU A 38 13.889 -3.517 10.318 1.00 0.35 H new ATOM 547 N ASP A 39 13.981 -0.442 6.766 1.00 0.24 N ATOM 548 CA ASP A 39 14.215 0.584 5.745 1.00 0.26 C ATOM 549 C ASP A 39 12.948 0.787 4.933 1.00 0.22 C ATOM 550 O ASP A 39 12.649 1.887 4.466 1.00 0.23 O ATOM 551 CB ASP A 39 15.355 0.194 4.798 1.00 0.31 C ATOM 552 CG ASP A 39 16.682 0.003 5.495 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.237 0.985 6.023 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.178 -1.142 5.520 1.00 0.82 O ATOM 0 H ASP A 39 14.536 -1.290 6.651 1.00 0.24 H new ATOM 0 HA ASP A 39 14.496 1.504 6.257 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.089 -0.729 4.283 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.462 0.965 4.035 1.00 0.31 H new ATOM 559 N ALA A 40 12.210 -0.299 4.777 1.00 0.19 N ATOM 560 CA ALA A 40 10.946 -0.283 4.058 1.00 0.18 C ATOM 561 C ALA A 40 9.882 0.451 4.860 1.00 0.16 C ATOM 562 O ALA A 40 9.061 1.173 4.301 1.00 0.17 O ATOM 563 CB ALA A 40 10.495 -1.699 3.751 1.00 0.18 C ATOM 0 H ALA A 40 12.469 -1.215 5.144 1.00 0.19 H new ATOM 0 HA ALA A 40 11.092 0.247 3.117 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.548 -1.670 3.213 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.247 -2.195 3.137 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.366 -2.250 4.683 1.00 0.18 H new ATOM 569 N ILE A 41 9.894 0.256 6.174 1.00 0.16 N ATOM 570 CA ILE A 41 9.021 1.016 7.055 1.00 0.18 C ATOM 571 C ILE A 41 9.411 2.484 7.012 1.00 0.20 C ATOM 572 O ILE A 41 8.552 3.361 7.016 1.00 0.21 O ATOM 573 CB ILE A 41 9.064 0.500 8.514 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.432 -0.890 8.603 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.349 1.461 9.455 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.523 -1.519 9.976 1.00 0.30 C ATOM 0 H ILE A 41 10.495 -0.418 6.648 1.00 0.16 H new ATOM 0 HA ILE A 41 7.999 0.889 6.699 1.00 0.18 H new ATOM 0 HB ILE A 41 10.108 0.436 8.820 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.383 -0.820 8.315 1.00 0.24 H new ATOM 0 HG13 ILE A 41 8.918 -1.546 7.881 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.394 1.074 10.473 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.833 2.437 9.415 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.307 1.561 9.151 1.00 0.27 H new ATOM 0 HD11 ILE A 41 8.053 -2.502 9.958 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.570 -1.623 10.260 1.00 0.30 H new ATOM 0 HD13 ILE A 41 8.011 -0.886 10.701 1.00 0.30 H new ATOM 588 N LYS A 42 10.711 2.745 6.914 1.00 0.22 N ATOM 589 CA LYS A 42 11.196 4.112 6.799 1.00 0.28 C ATOM 590 C LYS A 42 10.741 4.737 5.491 1.00 0.28 C ATOM 591 O LYS A 42 10.767 5.954 5.323 1.00 0.37 O ATOM 592 CB LYS A 42 12.713 4.178 6.901 1.00 0.31 C ATOM 593 CG LYS A 42 13.209 4.236 8.331 1.00 0.85 C ATOM 594 CD LYS A 42 14.720 4.409 8.408 1.00 1.14 C ATOM 595 CE LYS A 42 15.179 5.733 7.797 1.00 1.46 C ATOM 596 NZ LYS A 42 15.462 5.624 6.337 1.00 2.32 N ATOM 0 H LYS A 42 11.441 2.033 6.912 1.00 0.22 H new ATOM 0 HA LYS A 42 10.773 4.676 7.630 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.143 3.306 6.408 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.070 5.056 6.363 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.723 5.063 8.849 1.00 0.85 H new ATOM 0 HG3 LYS A 42 12.923 3.322 8.851 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.037 4.362 9.450 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.206 3.583 7.889 1.00 1.14 H new ATOM 0 HE2 LYS A 42 14.411 6.489 7.959 1.00 1.46 H new ATOM 0 HE3 LYS A 42 16.076 6.075 8.313 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 16.430 5.954 6.145 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 15.369 4.632 6.038 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 14.785 6.210 5.808 1.00 2.32 H new ATOM 610 N GLU A 43 10.339 3.892 4.562 1.00 0.22 N ATOM 611 CA GLU A 43 9.794 4.346 3.304 1.00 0.25 C ATOM 612 C GLU A 43 8.296 4.556 3.461 1.00 0.18 C ATOM 613 O GLU A 43 7.790 5.672 3.344 1.00 0.18 O ATOM 614 CB GLU A 43 10.057 3.308 2.209 1.00 0.33 C ATOM 615 CG GLU A 43 9.663 3.772 0.821 1.00 0.34 C ATOM 616 CD GLU A 43 10.828 4.361 0.052 1.00 0.55 C ATOM 617 OE1 GLU A 43 11.907 3.729 0.016 1.00 1.02 O ATOM 618 OE2 GLU A 43 10.672 5.460 -0.513 1.00 0.94 O ATOM 0 H GLU A 43 10.382 2.878 4.660 1.00 0.22 H new ATOM 0 HA GLU A 43 10.272 5.283 3.019 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.117 3.053 2.210 1.00 0.33 H new ATOM 0 HB3 GLU A 43 9.509 2.396 2.446 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.252 2.930 0.263 1.00 0.34 H new ATOM 0 HG3 GLU A 43 8.872 4.517 0.902 1.00 0.34 H new ATOM 625 N LEU A 44 7.611 3.466 3.786 1.00 0.16 N ATOM 626 CA LEU A 44 6.158 3.447 3.853 1.00 0.15 C ATOM 627 C LEU A 44 5.628 4.467 4.863 1.00 0.14 C ATOM 628 O LEU A 44 4.618 5.118 4.614 1.00 0.16 O ATOM 629 CB LEU A 44 5.667 2.039 4.215 1.00 0.13 C ATOM 630 CG LEU A 44 4.173 1.795 3.995 1.00 0.15 C ATOM 631 CD1 LEU A 44 3.813 1.976 2.535 1.00 0.17 C ATOM 632 CD2 LEU A 44 3.786 0.403 4.448 1.00 0.14 C ATOM 0 H LEU A 44 8.048 2.572 4.010 1.00 0.16 H new ATOM 0 HA LEU A 44 5.774 3.722 2.871 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.228 1.313 3.626 1.00 0.13 H new ATOM 0 HB3 LEU A 44 5.900 1.848 5.263 1.00 0.13 H new ATOM 0 HG LEU A 44 3.622 2.525 4.589 1.00 0.15 H new ATOM 0 HD11 LEU A 44 2.746 1.798 2.399 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.054 2.993 2.224 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.379 1.268 1.930 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.720 0.250 4.283 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.351 -0.335 3.879 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.009 0.291 5.509 1.00 0.14 H new ATOM 644 N GLN A 45 6.330 4.618 5.987 1.00 0.14 N ATOM 645 CA GLN A 45 5.890 5.517 7.058 1.00 0.14 C ATOM 646 C GLN A 45 5.977 6.978 6.655 1.00 0.17 C ATOM 647 O GLN A 45 5.209 7.803 7.140 1.00 0.27 O ATOM 648 CB GLN A 45 6.705 5.285 8.330 1.00 0.16 C ATOM 649 CG GLN A 45 6.020 4.364 9.320 1.00 0.22 C ATOM 650 CD GLN A 45 4.902 5.054 10.079 1.00 0.36 C ATOM 651 OE1 GLN A 45 3.704 5.042 9.517 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 5.116 5.603 11.156 1.00 0.44 N flip ATOM 0 H GLN A 45 7.205 4.131 6.180 1.00 0.14 H new ATOM 0 HA GLN A 45 4.843 5.285 7.251 1.00 0.14 H new ATOM 0 HB2 GLN A 45 7.673 4.863 8.061 1.00 0.16 H new ATOM 0 HB3 GLN A 45 6.898 6.244 8.810 1.00 0.16 H new ATOM 0 HG2 GLN A 45 5.616 3.502 8.790 1.00 0.22 H new ATOM 0 HG3 GLN A 45 6.757 3.986 10.029 1.00 0.22 H new ATOM 0 HE21 GLN A 45 6.054 5.591 11.557 1.00 0.44 H new ATOM 0 HE22 GLN A 45 4.356 6.071 11.650 1.00 0.44 H new ATOM 661 N LYS A 46 6.911 7.305 5.783 1.00 0.14 N ATOM 662 CA LYS A 46 7.064 8.681 5.349 1.00 0.17 C ATOM 663 C LYS A 46 6.056 9.003 4.259 1.00 0.18 C ATOM 664 O LYS A 46 5.495 10.096 4.221 1.00 0.21 O ATOM 665 CB LYS A 46 8.492 8.946 4.869 1.00 0.22 C ATOM 666 CG LYS A 46 9.532 8.765 5.963 1.00 0.27 C ATOM 667 CD LYS A 46 10.913 9.220 5.518 1.00 0.39 C ATOM 668 CE LYS A 46 11.952 9.004 6.611 1.00 0.49 C ATOM 669 NZ LYS A 46 11.543 9.627 7.898 1.00 1.31 N ATOM 0 H LYS A 46 7.568 6.646 5.365 1.00 0.14 H new ATOM 0 HA LYS A 46 6.873 9.335 6.200 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.722 8.273 4.043 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.556 9.962 4.480 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.231 9.329 6.846 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.573 7.715 6.254 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.206 8.672 4.622 1.00 0.39 H new ATOM 0 HD3 LYS A 46 10.880 10.276 5.249 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.107 7.935 6.758 1.00 0.49 H new ATOM 0 HE3 LYS A 46 12.906 9.423 6.292 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 12.384 9.992 8.390 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 10.885 10.410 7.711 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.074 8.916 8.495 1.00 1.31 H new ATOM 683 N TRP A 47 5.822 8.044 3.378 1.00 0.16 N ATOM 684 CA TRP A 47 4.807 8.199 2.348 1.00 0.19 C ATOM 685 C TRP A 47 3.407 8.234 2.944 1.00 0.19 C ATOM 686 O TRP A 47 2.621 9.114 2.603 1.00 0.22 O ATOM 687 CB TRP A 47 4.946 7.103 1.290 1.00 0.20 C ATOM 688 CG TRP A 47 6.282 7.169 0.629 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.204 6.170 0.503 1.00 0.18 C ATOM 690 CD2 TRP A 47 6.866 8.334 0.041 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.328 6.651 -0.117 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.141 7.974 -0.414 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.431 9.650 -0.147 1.00 0.41 C ATOM 694 CZ2 TRP A 47 8.989 8.878 -1.036 1.00 0.43 C ATOM 695 CZ3 TRP A 47 7.273 10.546 -0.770 1.00 0.52 C ATOM 696 CH2 TRP A 47 8.541 10.157 -1.208 1.00 0.52 C ATOM 0 H TRP A 47 6.319 7.153 3.355 1.00 0.16 H new ATOM 0 HA TRP A 47 4.964 9.160 1.858 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.813 6.125 1.753 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.160 7.211 0.543 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.068 5.153 0.841 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.168 6.110 -0.324 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.452 9.959 0.190 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 9.971 8.581 -1.373 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 6.947 11.564 -0.922 1.00 0.52 H new ATOM 0 HH2 TRP A 47 9.179 10.881 -1.692 1.00 0.52 H new ATOM 707 N SER A 48 3.098 7.313 3.853 1.00 0.17 N ATOM 708 CA SER A 48 1.795 7.318 4.506 1.00 0.19 C ATOM 709 C SER A 48 1.634 8.591 5.331 1.00 0.20 C ATOM 710 O SER A 48 0.529 9.108 5.487 1.00 0.28 O ATOM 711 CB SER A 48 1.598 6.062 5.372 1.00 0.23 C ATOM 712 OG SER A 48 2.526 5.989 6.446 1.00 0.82 O ATOM 0 H SER A 48 3.723 6.564 4.150 1.00 0.17 H new ATOM 0 HA SER A 48 1.022 7.301 3.738 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.584 6.056 5.772 1.00 0.23 H new ATOM 0 HB3 SER A 48 1.700 5.175 4.747 1.00 0.23 H new ATOM 0 HG SER A 48 2.360 5.176 6.967 1.00 0.82 H new ATOM 718 N GLN A 49 2.754 9.106 5.829 1.00 0.17 N ATOM 719 CA GLN A 49 2.773 10.373 6.545 1.00 0.17 C ATOM 720 C GLN A 49 2.399 11.518 5.614 1.00 0.18 C ATOM 721 O GLN A 49 1.490 12.293 5.907 1.00 0.21 O ATOM 722 CB GLN A 49 4.160 10.639 7.123 1.00 0.19 C ATOM 723 CG GLN A 49 4.190 11.796 8.102 1.00 0.23 C ATOM 724 CD GLN A 49 5.596 12.285 8.371 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.274 11.796 9.274 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.045 13.255 7.589 1.00 0.45 N ATOM 0 H GLN A 49 3.667 8.659 5.747 1.00 0.17 H new ATOM 0 HA GLN A 49 2.046 10.311 7.355 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.516 9.739 7.624 1.00 0.19 H new ATOM 0 HB3 GLN A 49 4.853 10.845 6.307 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.591 12.617 7.709 1.00 0.23 H new ATOM 0 HG3 GLN A 49 3.730 11.487 9.040 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.450 13.632 6.852 1.00 0.45 H new ATOM 0 HE22 GLN A 49 6.986 13.625 7.724 1.00 0.45 H new ATOM 735 N ARG A 50 3.107 11.613 4.491 1.00 0.16 N ATOM 736 CA ARG A 50 2.904 12.700 3.539 1.00 0.16 C ATOM 737 C ARG A 50 1.531 12.632 2.890 1.00 0.14 C ATOM 738 O ARG A 50 0.900 13.659 2.664 1.00 0.15 O ATOM 739 CB ARG A 50 3.978 12.688 2.456 1.00 0.15 C ATOM 740 CG ARG A 50 5.358 13.070 2.948 1.00 0.19 C ATOM 741 CD ARG A 50 6.373 12.984 1.825 1.00 0.20 C ATOM 742 NE ARG A 50 7.704 13.407 2.251 1.00 0.27 N ATOM 743 CZ ARG A 50 8.750 13.502 1.433 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.601 13.268 0.135 1.00 0.35 N ATOM 745 NH2 ARG A 50 9.938 13.853 1.907 1.00 0.42 N ATOM 0 H ARG A 50 3.829 10.947 4.218 1.00 0.16 H new ATOM 0 HA ARG A 50 2.974 13.630 4.104 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.024 11.692 2.016 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.685 13.374 1.661 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.338 14.083 3.350 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.654 12.410 3.763 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.420 11.959 1.457 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.045 13.606 0.993 1.00 0.20 H new ATOM 0 HE ARG A 50 7.840 13.644 3.234 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.685 13.015 -0.236 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.403 13.341 -0.492 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.052 14.051 2.901 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.737 13.925 1.277 1.00 0.42 H new ATOM 759 N ILE A 51 1.083 11.428 2.572 1.00 0.13 N ATOM 760 CA ILE A 51 -0.253 11.234 2.025 1.00 0.13 C ATOM 761 C ILE A 51 -1.311 11.679 3.040 1.00 0.16 C ATOM 762 O ILE A 51 -2.358 12.222 2.676 1.00 0.20 O ATOM 763 CB ILE A 51 -0.481 9.756 1.629 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.493 9.344 0.520 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.914 9.533 1.174 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.464 7.862 0.206 1.00 0.13 C ATOM 0 H ILE A 51 1.623 10.570 2.683 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.344 11.845 1.127 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.298 9.138 2.508 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.257 9.903 -0.385 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.504 9.625 0.814 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -2.050 8.487 0.901 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.597 9.788 1.984 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -2.124 10.164 0.310 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.178 7.644 -0.588 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.730 7.296 1.099 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.537 7.578 -0.119 1.00 0.13 H new ATOM 778 N ALA A 52 -1.013 11.471 4.317 1.00 0.16 N ATOM 779 CA ALA A 52 -1.918 11.857 5.390 1.00 0.20 C ATOM 780 C ALA A 52 -1.859 13.362 5.661 1.00 0.22 C ATOM 781 O ALA A 52 -2.871 13.980 5.991 1.00 0.27 O ATOM 782 CB ALA A 52 -1.593 11.076 6.653 1.00 0.21 C ATOM 0 H ALA A 52 -0.147 11.035 4.634 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.934 11.619 5.075 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.276 11.372 7.450 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.702 10.009 6.459 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.568 11.286 6.957 1.00 0.21 H new ATOM 788 N SER A 53 -0.676 13.948 5.519 1.00 0.22 N ATOM 789 CA SER A 53 -0.492 15.375 5.770 1.00 0.26 C ATOM 790 C SER A 53 -0.913 16.204 4.559 1.00 0.28 C ATOM 791 O SER A 53 -1.352 17.347 4.695 1.00 0.35 O ATOM 792 CB SER A 53 0.968 15.661 6.126 1.00 0.28 C ATOM 793 OG SER A 53 1.843 15.125 5.146 1.00 0.26 O ATOM 0 H SER A 53 0.171 13.458 5.231 1.00 0.22 H new ATOM 0 HA SER A 53 -1.126 15.658 6.610 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.122 16.737 6.208 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.200 15.231 7.100 1.00 0.28 H new ATOM 0 HG SER A 53 2.768 15.360 5.370 1.00 0.26 H new ATOM 799 N GLY A 54 -0.783 15.619 3.377 1.00 0.25 N ATOM 800 CA GLY A 54 -1.169 16.301 2.161 1.00 0.28 C ATOM 801 C GLY A 54 0.029 16.815 1.391 1.00 0.26 C ATOM 802 O GLY A 54 -0.118 17.571 0.428 1.00 0.30 O ATOM 0 H GLY A 54 -0.414 14.678 3.239 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.740 15.620 1.530 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.826 17.135 2.407 1.00 0.28 H new ATOM 806 N GLU A 55 1.219 16.410 1.823 1.00 0.23 N ATOM 807 CA GLU A 55 2.455 16.791 1.150 1.00 0.23 C ATOM 808 C GLU A 55 2.495 16.187 -0.249 1.00 0.20 C ATOM 809 O GLU A 55 2.831 16.859 -1.223 1.00 0.24 O ATOM 810 CB GLU A 55 3.663 16.342 1.975 1.00 0.24 C ATOM 811 CG GLU A 55 3.745 17.031 3.328 1.00 0.42 C ATOM 812 CD GLU A 55 4.894 16.536 4.181 1.00 0.46 C ATOM 813 OE1 GLU A 55 4.698 15.568 4.947 1.00 0.65 O ATOM 814 OE2 GLU A 55 5.994 17.122 4.108 1.00 0.54 O ATOM 0 H GLU A 55 1.353 15.815 2.640 1.00 0.23 H new ATOM 0 HA GLU A 55 2.492 17.876 1.055 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.614 15.263 2.125 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.575 16.545 1.414 1.00 0.24 H new ATOM 0 HG2 GLU A 55 3.851 18.105 3.176 1.00 0.42 H new ATOM 0 HG3 GLU A 55 2.809 16.876 3.865 1.00 0.42 H new ATOM 821 N VAL A 56 2.140 14.915 -0.339 1.00 0.17 N ATOM 822 CA VAL A 56 1.946 14.257 -1.623 1.00 0.15 C ATOM 823 C VAL A 56 0.670 13.443 -1.576 1.00 0.15 C ATOM 824 O VAL A 56 0.226 13.040 -0.502 1.00 0.19 O ATOM 825 CB VAL A 56 3.121 13.330 -2.022 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.344 14.138 -2.414 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.469 12.366 -0.903 1.00 0.15 C ATOM 0 H VAL A 56 1.979 14.313 0.469 1.00 0.17 H new ATOM 0 HA VAL A 56 1.889 15.043 -2.376 1.00 0.15 H new ATOM 0 HB VAL A 56 2.797 12.749 -2.885 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.154 13.462 -2.689 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.101 14.778 -3.262 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.657 14.755 -1.572 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.297 11.730 -1.215 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.758 12.928 -0.015 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.602 11.746 -0.674 1.00 0.15 H new ATOM 837 N SER A 57 0.072 13.210 -2.728 1.00 0.13 N ATOM 838 CA SER A 57 -1.146 12.434 -2.788 1.00 0.15 C ATOM 839 C SER A 57 -0.807 10.960 -2.922 1.00 0.15 C ATOM 840 O SER A 57 0.319 10.620 -3.303 1.00 0.18 O ATOM 841 CB SER A 57 -2.018 12.894 -3.957 1.00 0.22 C ATOM 842 OG SER A 57 -2.288 14.287 -3.875 1.00 0.97 O ATOM 0 H SER A 57 0.410 13.546 -3.630 1.00 0.13 H new ATOM 0 HA SER A 57 -1.709 12.585 -1.867 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.516 12.672 -4.899 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.955 12.338 -3.957 1.00 0.22 H new ATOM 0 HG SER A 57 -2.846 14.557 -4.634 1.00 0.97 H new ATOM 848 N PHE A 58 -1.758 10.093 -2.605 1.00 0.16 N ATOM 849 CA PHE A 58 -1.532 8.656 -2.658 1.00 0.16 C ATOM 850 C PHE A 58 -0.995 8.260 -4.028 1.00 0.18 C ATOM 851 O PHE A 58 -0.017 7.516 -4.139 1.00 0.19 O ATOM 852 CB PHE A 58 -2.837 7.912 -2.367 1.00 0.18 C ATOM 853 CG PHE A 58 -2.646 6.612 -1.643 1.00 0.17 C ATOM 854 CD1 PHE A 58 -2.017 5.545 -2.258 1.00 0.18 C ATOM 855 CD2 PHE A 58 -3.100 6.459 -0.343 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.844 4.351 -1.591 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.930 5.265 0.330 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.301 4.210 -0.296 1.00 0.22 C ATOM 0 H PHE A 58 -2.696 10.361 -2.308 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.795 8.385 -1.902 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.486 8.555 -1.773 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.352 7.720 -3.308 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.658 5.648 -3.271 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.593 7.284 0.150 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.351 3.525 -2.082 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -3.289 5.158 1.343 1.00 0.21 H new ATOM 0 HZ PHE A 58 -2.166 3.274 0.226 1.00 0.22 H new ATOM 868 N GLU A 59 -1.616 8.815 -5.063 1.00 0.20 N ATOM 869 CA GLU A 59 -1.256 8.519 -6.442 1.00 0.22 C ATOM 870 C GLU A 59 0.199 8.866 -6.749 1.00 0.24 C ATOM 871 O GLU A 59 0.840 8.190 -7.556 1.00 0.31 O ATOM 872 CB GLU A 59 -2.184 9.266 -7.403 1.00 0.27 C ATOM 873 CG GLU A 59 -3.639 8.841 -7.301 1.00 0.36 C ATOM 874 CD GLU A 59 -4.528 9.560 -8.294 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.626 9.107 -9.455 1.00 1.72 O ATOM 876 OE2 GLU A 59 -5.135 10.585 -7.920 1.00 0.96 O ATOM 0 H GLU A 59 -2.382 9.482 -4.968 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.372 7.444 -6.581 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -2.112 10.336 -7.205 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.839 9.107 -8.425 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.712 7.766 -7.466 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -4.000 9.034 -6.291 1.00 0.36 H new ATOM 883 N GLU A 60 0.724 9.903 -6.101 1.00 0.23 N ATOM 884 CA GLU A 60 2.087 10.347 -6.370 1.00 0.24 C ATOM 885 C GLU A 60 3.100 9.373 -5.789 1.00 0.23 C ATOM 886 O GLU A 60 3.998 8.906 -6.488 1.00 0.26 O ATOM 887 CB GLU A 60 2.325 11.752 -5.804 1.00 0.25 C ATOM 888 CG GLU A 60 1.368 12.790 -6.359 1.00 0.29 C ATOM 889 CD GLU A 60 1.378 12.832 -7.873 1.00 1.18 C ATOM 890 OE1 GLU A 60 2.226 13.546 -8.444 1.00 1.24 O ATOM 891 OE2 GLU A 60 0.539 12.154 -8.499 1.00 2.09 O ATOM 0 H GLU A 60 0.231 10.447 -5.393 1.00 0.23 H new ATOM 0 HA GLU A 60 2.218 10.380 -7.452 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.227 11.721 -4.719 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.348 12.057 -6.023 1.00 0.25 H new ATOM 0 HG2 GLU A 60 0.358 12.573 -6.011 1.00 0.29 H new ATOM 0 HG3 GLU A 60 1.635 13.772 -5.969 1.00 0.29 H new ATOM 898 N ALA A 61 2.943 9.058 -4.514 1.00 0.22 N ATOM 899 CA ALA A 61 3.865 8.163 -3.836 1.00 0.23 C ATOM 900 C ALA A 61 3.786 6.755 -4.415 1.00 0.22 C ATOM 901 O ALA A 61 4.807 6.113 -4.654 1.00 0.26 O ATOM 902 CB ALA A 61 3.579 8.141 -2.342 1.00 0.24 C ATOM 0 H ALA A 61 2.186 9.409 -3.928 1.00 0.22 H new ATOM 0 HA ALA A 61 4.877 8.536 -3.993 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.278 7.466 -1.848 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.695 9.145 -1.935 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.559 7.796 -2.172 1.00 0.24 H new ATOM 908 N ALA A 62 2.569 6.294 -4.668 1.00 0.20 N ATOM 909 CA ALA A 62 2.342 4.933 -5.138 1.00 0.20 C ATOM 910 C ALA A 62 3.049 4.658 -6.464 1.00 0.21 C ATOM 911 O ALA A 62 3.819 3.710 -6.570 1.00 0.24 O ATOM 912 CB ALA A 62 0.853 4.669 -5.265 1.00 0.20 C ATOM 0 H ALA A 62 1.719 6.846 -4.555 1.00 0.20 H new ATOM 0 HA ALA A 62 2.767 4.253 -4.400 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.693 3.650 -5.617 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.377 4.796 -4.293 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.418 5.371 -5.977 1.00 0.20 H new ATOM 918 N SER A 63 2.806 5.502 -7.459 1.00 0.21 N ATOM 919 CA SER A 63 3.343 5.303 -8.805 1.00 0.23 C ATOM 920 C SER A 63 4.864 5.113 -8.812 1.00 0.24 C ATOM 921 O SER A 63 5.414 4.477 -9.715 1.00 0.27 O ATOM 922 CB SER A 63 2.955 6.487 -9.693 1.00 0.26 C ATOM 923 OG SER A 63 3.333 6.269 -11.042 1.00 1.00 O ATOM 0 H SER A 63 2.234 6.341 -7.360 1.00 0.21 H new ATOM 0 HA SER A 63 2.908 4.384 -9.197 1.00 0.23 H new ATOM 0 HB2 SER A 63 1.878 6.648 -9.637 1.00 0.26 H new ATOM 0 HB3 SER A 63 3.433 7.394 -9.322 1.00 0.26 H new ATOM 0 HG SER A 63 2.935 5.433 -11.362 1.00 1.00 H new ATOM 929 N GLN A 64 5.542 5.641 -7.805 1.00 0.24 N ATOM 930 CA GLN A 64 6.992 5.586 -7.767 1.00 0.27 C ATOM 931 C GLN A 64 7.459 4.515 -6.802 1.00 0.26 C ATOM 932 O GLN A 64 8.390 3.762 -7.082 1.00 0.29 O ATOM 933 CB GLN A 64 7.539 6.941 -7.334 1.00 0.31 C ATOM 934 CG GLN A 64 6.887 8.092 -8.077 1.00 0.35 C ATOM 935 CD GLN A 64 7.316 9.453 -7.574 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.305 10.022 -8.039 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.557 9.998 -6.644 1.00 0.35 N ATOM 0 H GLN A 64 5.113 6.110 -7.007 1.00 0.24 H new ATOM 0 HA GLN A 64 7.361 5.341 -8.763 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.382 7.068 -6.263 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.615 6.966 -7.503 1.00 0.31 H new ATOM 0 HG2 GLN A 64 7.127 8.013 -9.137 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.804 8.005 -7.988 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.747 9.492 -6.286 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.780 10.925 -6.282 1.00 0.35 H new ATOM 946 N ARG A 65 6.806 4.471 -5.660 1.00 0.26 N ATOM 947 CA ARG A 65 7.235 3.623 -4.562 1.00 0.28 C ATOM 948 C ARG A 65 6.555 2.250 -4.537 1.00 0.27 C ATOM 949 O ARG A 65 7.218 1.246 -4.281 1.00 0.32 O ATOM 950 CB ARG A 65 6.999 4.364 -3.255 1.00 0.33 C ATOM 951 CG ARG A 65 7.672 5.728 -3.234 1.00 0.37 C ATOM 952 CD ARG A 65 9.157 5.602 -3.543 1.00 0.43 C ATOM 953 NE ARG A 65 9.933 6.764 -3.122 1.00 0.58 N ATOM 954 CZ ARG A 65 10.814 7.405 -3.891 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.976 7.063 -5.166 1.00 0.59 N ATOM 956 NH2 ARG A 65 11.531 8.399 -3.382 1.00 0.86 N ATOM 0 H ARG A 65 5.967 5.018 -5.465 1.00 0.26 H new ATOM 0 HA ARG A 65 8.296 3.415 -4.704 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.927 4.488 -3.099 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.375 3.763 -2.427 1.00 0.33 H new ATOM 0 HG2 ARG A 65 7.198 6.384 -3.964 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.537 6.190 -2.256 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.550 4.713 -3.050 1.00 0.43 H new ATOM 0 HD3 ARG A 65 9.287 5.455 -4.615 1.00 0.43 H new ATOM 0 HE ARG A 65 9.792 7.110 -2.173 1.00 0.58 H new ATOM 0 HH11 ARG A 65 10.424 6.304 -5.565 1.00 0.59 H new ATOM 0 HH12 ARG A 65 11.653 7.560 -5.745 1.00 0.59 H new ATOM 0 HH21 ARG A 65 11.407 8.670 -2.406 1.00 0.86 H new ATOM 0 HH22 ARG A 65 12.206 8.892 -3.966 1.00 0.86 H new ATOM 970 N SER A 66 5.249 2.197 -4.785 1.00 0.25 N ATOM 971 CA SER A 66 4.527 0.926 -4.711 1.00 0.25 C ATOM 972 C SER A 66 5.000 -0.032 -5.799 1.00 0.23 C ATOM 973 O SER A 66 5.076 0.335 -6.972 1.00 0.24 O ATOM 974 CB SER A 66 3.008 1.124 -4.815 1.00 0.24 C ATOM 975 OG SER A 66 2.601 1.444 -6.132 1.00 0.82 O ATOM 0 H SER A 66 4.676 3.003 -5.035 1.00 0.25 H new ATOM 0 HA SER A 66 4.745 0.493 -3.735 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.501 0.215 -4.490 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.700 1.920 -4.137 1.00 0.24 H new ATOM 0 HG SER A 66 3.126 2.203 -6.461 1.00 0.82 H new ATOM 981 N ASP A 67 5.326 -1.255 -5.401 1.00 0.25 N ATOM 982 CA ASP A 67 5.784 -2.266 -6.345 1.00 0.28 C ATOM 983 C ASP A 67 4.611 -2.996 -6.994 1.00 0.31 C ATOM 984 O ASP A 67 4.771 -3.710 -7.986 1.00 0.48 O ATOM 985 CB ASP A 67 6.713 -3.267 -5.665 1.00 0.39 C ATOM 986 CG ASP A 67 7.136 -4.381 -6.603 1.00 1.59 C ATOM 987 OD1 ASP A 67 7.877 -4.112 -7.570 1.00 1.91 O ATOM 988 OD2 ASP A 67 6.721 -5.531 -6.381 1.00 2.28 O ATOM 0 H ASP A 67 5.282 -1.571 -4.432 1.00 0.25 H new ATOM 0 HA ASP A 67 6.339 -1.750 -7.128 1.00 0.28 H new ATOM 0 HB2 ASP A 67 7.598 -2.748 -5.297 1.00 0.39 H new ATOM 0 HB3 ASP A 67 6.211 -3.695 -4.797 1.00 0.39 H new ATOM 993 N CYS A 68 3.424 -2.799 -6.449 1.00 0.24 N ATOM 994 CA CYS A 68 2.236 -3.433 -6.992 1.00 0.26 C ATOM 995 C CYS A 68 1.811 -2.711 -8.256 1.00 0.27 C ATOM 996 O CYS A 68 2.152 -1.544 -8.463 1.00 0.38 O ATOM 997 CB CYS A 68 1.105 -3.406 -5.964 1.00 0.29 C ATOM 998 SG CYS A 68 -0.441 -4.160 -6.518 1.00 1.52 S ATOM 0 H CYS A 68 3.257 -2.208 -5.635 1.00 0.24 H new ATOM 0 HA CYS A 68 2.462 -4.473 -7.230 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.440 -3.919 -5.062 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.909 -2.370 -5.687 1.00 0.29 H new ATOM 0 HG CYS A 68 -0.857 -5.005 -5.622 1.00 1.52 H new ATOM 1004 N GLY A 69 1.056 -3.423 -9.088 1.00 0.26 N ATOM 1005 CA GLY A 69 0.659 -2.925 -10.395 1.00 0.25 C ATOM 1006 C GLY A 69 -0.082 -1.609 -10.328 1.00 0.22 C ATOM 1007 O GLY A 69 -0.199 -0.902 -11.333 1.00 0.25 O ATOM 0 H GLY A 69 0.705 -4.357 -8.874 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.547 -2.804 -11.016 1.00 0.25 H new ATOM 0 HA3 GLY A 69 0.027 -3.667 -10.883 1.00 0.25 H new ATOM 1011 N SER A 70 -0.569 -1.277 -9.140 1.00 0.21 N ATOM 1012 CA SER A 70 -1.238 -0.020 -8.906 1.00 0.24 C ATOM 1013 C SER A 70 -0.301 1.175 -9.121 1.00 0.22 C ATOM 1014 O SER A 70 -0.766 2.304 -9.205 1.00 0.25 O ATOM 1015 CB SER A 70 -1.811 -0.010 -7.490 1.00 0.31 C ATOM 1016 OG SER A 70 -0.799 -0.270 -6.525 1.00 0.32 O ATOM 0 H SER A 70 -0.508 -1.876 -8.317 1.00 0.21 H new ATOM 0 HA SER A 70 -2.048 0.079 -9.629 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.271 0.957 -7.287 1.00 0.31 H new ATOM 0 HB3 SER A 70 -2.597 -0.760 -7.408 1.00 0.31 H new ATOM 0 HG SER A 70 -1.192 -0.257 -5.627 1.00 0.32 H new ATOM 1022 N TYR A 71 1.013 0.936 -9.222 1.00 0.20 N ATOM 1023 CA TYR A 71 1.960 2.022 -9.493 1.00 0.20 C ATOM 1024 C TYR A 71 1.597 2.725 -10.803 1.00 0.22 C ATOM 1025 O TYR A 71 1.837 3.916 -10.968 1.00 0.29 O ATOM 1026 CB TYR A 71 3.416 1.513 -9.562 1.00 0.21 C ATOM 1027 CG TYR A 71 3.766 0.755 -10.827 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.463 -0.591 -10.972 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.411 1.397 -11.875 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.794 -1.276 -12.126 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.741 0.721 -13.029 1.00 0.44 C ATOM 1032 CZ TYR A 71 4.432 -0.614 -13.151 1.00 0.43 C ATOM 1033 OH TYR A 71 4.767 -1.288 -14.302 1.00 0.54 O ATOM 0 H TYR A 71 1.439 0.014 -9.122 1.00 0.20 H new ATOM 0 HA TYR A 71 1.891 2.728 -8.666 1.00 0.20 H new ATOM 0 HB2 TYR A 71 4.089 2.366 -9.468 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.601 0.866 -8.705 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.960 -1.112 -10.170 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.658 2.444 -11.784 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.554 -2.324 -12.223 1.00 0.36 H new ATOM 0 HE2 TYR A 71 5.241 1.237 -13.835 1.00 0.44 H new ATOM 0 HH TYR A 71 5.210 -0.674 -14.924 1.00 0.54 H new ATOM 1043 N ALA A 72 0.983 1.988 -11.722 1.00 0.24 N ATOM 1044 CA ALA A 72 0.621 2.538 -13.018 1.00 0.30 C ATOM 1045 C ALA A 72 -0.765 3.165 -12.959 1.00 0.36 C ATOM 1046 O ALA A 72 -1.254 3.730 -13.938 1.00 0.49 O ATOM 1047 CB ALA A 72 0.677 1.454 -14.083 1.00 0.38 C ATOM 0 H ALA A 72 0.727 1.009 -11.591 1.00 0.24 H new ATOM 0 HA ALA A 72 1.337 3.317 -13.282 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.404 1.879 -15.049 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.688 1.049 -14.137 1.00 0.38 H new ATOM 0 HB3 ALA A 72 -0.020 0.656 -13.827 1.00 0.38 H new ATOM 1053 N SER A 73 -1.386 3.069 -11.794 1.00 0.32 N ATOM 1054 CA SER A 73 -2.732 3.577 -11.594 1.00 0.44 C ATOM 1055 C SER A 73 -2.770 4.547 -10.412 1.00 0.49 C ATOM 1056 O SER A 73 -3.839 4.971 -9.973 1.00 0.71 O ATOM 1057 CB SER A 73 -3.682 2.406 -11.351 1.00 0.47 C ATOM 1058 OG SER A 73 -3.450 1.364 -12.287 1.00 0.62 O ATOM 0 H SER A 73 -0.974 2.639 -10.966 1.00 0.32 H new ATOM 0 HA SER A 73 -3.046 4.119 -12.486 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.547 2.027 -10.338 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.714 2.747 -11.429 1.00 0.47 H new ATOM 0 HG SER A 73 -4.068 0.624 -12.112 1.00 0.62 H new ATOM 1064 N GLY A 74 -1.592 4.886 -9.897 1.00 0.41 N ATOM 1065 CA GLY A 74 -1.498 5.796 -8.771 1.00 0.54 C ATOM 1066 C GLY A 74 -1.936 5.168 -7.458 1.00 0.45 C ATOM 1067 O GLY A 74 -2.444 5.853 -6.577 1.00 0.49 O ATOM 0 H GLY A 74 -0.696 4.544 -10.243 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -0.469 6.142 -8.676 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -2.112 6.674 -8.969 1.00 0.54 H new ATOM 1071 N GLY A 75 -1.758 3.861 -7.329 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.124 3.174 -6.100 1.00 0.32 C ATOM 1073 C GLY A 75 -3.605 2.866 -6.035 1.00 0.20 C ATOM 1074 O GLY A 75 -4.038 1.967 -5.310 1.00 0.21 O ATOM 0 H GLY A 75 -1.366 3.260 -8.054 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.558 2.246 -6.023 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -1.845 3.790 -5.245 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.372 3.607 -6.817 1.00 0.35 N ATOM 1079 CA ASP A 76 -5.821 3.510 -6.820 1.00 0.39 C ATOM 1080 C ASP A 76 -6.270 2.211 -7.449 1.00 0.32 C ATOM 1081 O ASP A 76 -5.793 1.834 -8.521 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.420 4.663 -7.608 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.907 4.845 -7.376 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -8.279 5.558 -6.424 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.710 4.312 -8.174 1.00 0.80 O ATOM 0 H ASP A 76 -4.004 4.297 -7.472 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.161 3.548 -5.785 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -5.903 5.584 -7.339 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.244 4.497 -8.671 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.174 1.526 -6.783 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.778 0.337 -7.342 1.00 0.30 C ATOM 1092 C LEU A 77 -9.257 0.559 -7.544 1.00 0.32 C ATOM 1093 O LEU A 77 -9.859 1.444 -6.936 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.546 -0.882 -6.449 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.435 -1.834 -6.904 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.157 -1.076 -7.236 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.178 -2.882 -5.831 1.00 0.94 C ATOM 0 H LEU A 77 -7.507 1.773 -5.851 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.306 0.139 -8.304 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.312 -0.534 -5.443 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.477 -1.444 -6.383 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.764 -2.334 -7.815 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.389 -1.780 -7.555 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.354 -0.365 -8.038 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.812 -0.539 -6.352 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.387 -3.555 -6.162 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.873 -2.390 -4.907 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -7.090 -3.453 -5.654 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.815 -0.244 -8.413 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.228 -0.154 -8.721 1.00 0.39 C ATOM 1111 C GLY A 78 -12.078 -0.956 -7.761 1.00 0.34 C ATOM 1112 O GLY A 78 -11.735 -1.100 -6.588 1.00 0.44 O ATOM 0 H GLY A 78 -9.315 -0.971 -8.924 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.538 0.891 -8.691 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.399 -0.509 -9.737 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.191 -1.478 -8.251 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.093 -2.258 -7.419 1.00 0.46 C ATOM 1118 C PHE A 79 -13.598 -3.690 -7.250 1.00 0.45 C ATOM 1119 O PHE A 79 -13.150 -4.330 -8.204 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.505 -2.253 -8.008 1.00 0.61 C ATOM 1121 CG PHE A 79 -16.166 -0.906 -7.959 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -15.958 0.020 -8.969 1.00 1.73 C ATOM 1123 CD2 PHE A 79 -16.995 -0.564 -6.904 1.00 2.78 C ATOM 1124 CE1 PHE A 79 -16.563 1.259 -8.926 1.00 2.78 C ATOM 1125 CE2 PHE A 79 -17.604 0.674 -6.856 1.00 3.87 C ATOM 1126 CZ PHE A 79 -17.388 1.586 -7.869 1.00 3.85 C ATOM 0 H PHE A 79 -13.491 -1.376 -9.220 1.00 0.47 H new ATOM 0 HA PHE A 79 -14.119 -1.793 -6.434 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.460 -2.590 -9.044 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -16.120 -2.971 -7.465 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -15.315 -0.231 -9.799 1.00 1.73 H new ATOM 0 HD2 PHE A 79 -17.167 -1.274 -6.109 1.00 2.78 H new ATOM 0 HE1 PHE A 79 -16.391 1.972 -9.719 1.00 2.78 H new ATOM 0 HE2 PHE A 79 -18.248 0.928 -6.027 1.00 3.87 H new ATOM 0 HZ PHE A 79 -17.864 2.555 -7.835 1.00 3.85 H new ATOM 1136 N PHE A 80 -13.661 -4.167 -6.018 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.282 -5.530 -5.676 1.00 0.45 C ATOM 1138 C PHE A 80 -14.133 -6.029 -4.516 1.00 0.46 C ATOM 1139 O PHE A 80 -14.449 -5.271 -3.607 1.00 0.55 O ATOM 1140 CB PHE A 80 -11.793 -5.600 -5.306 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.290 -4.413 -4.522 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.758 -4.175 -3.241 1.00 0.89 C ATOM 1143 CD2 PHE A 80 -10.353 -3.541 -5.057 1.00 1.01 C ATOM 1144 CE1 PHE A 80 -11.305 -3.089 -2.518 1.00 1.19 C ATOM 1145 CE2 PHE A 80 -9.899 -2.457 -4.330 1.00 1.28 C ATOM 1146 CZ PHE A 80 -10.352 -2.224 -3.097 1.00 1.31 C ATOM 0 H PHE A 80 -13.979 -3.616 -5.220 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.452 -6.167 -6.544 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -11.618 -6.505 -4.724 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.207 -5.691 -6.221 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.484 -4.844 -2.803 1.00 0.89 H new ATOM 0 HD2 PHE A 80 -9.974 -3.711 -6.054 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -11.676 -2.904 -1.521 1.00 1.19 H new ATOM 0 HE2 PHE A 80 -9.169 -1.791 -4.765 1.00 1.28 H new ATOM 0 HZ PHE A 80 -9.989 -1.372 -2.541 1.00 1.31 H new ATOM 1156 N SER A 81 -14.526 -7.287 -4.558 1.00 0.50 N ATOM 1157 CA SER A 81 -15.302 -7.868 -3.481 1.00 0.55 C ATOM 1158 C SER A 81 -14.461 -7.952 -2.212 1.00 0.52 C ATOM 1159 O SER A 81 -13.323 -8.424 -2.239 1.00 0.54 O ATOM 1160 CB SER A 81 -15.805 -9.254 -3.882 1.00 0.69 C ATOM 1161 OG SER A 81 -16.590 -9.187 -5.061 1.00 1.17 O ATOM 0 H SER A 81 -14.321 -7.926 -5.326 1.00 0.50 H new ATOM 0 HA SER A 81 -16.164 -7.230 -3.284 1.00 0.55 H new ATOM 0 HB2 SER A 81 -14.957 -9.920 -4.042 1.00 0.69 H new ATOM 0 HB3 SER A 81 -16.396 -9.679 -3.071 1.00 0.69 H new ATOM 0 HG SER A 81 -17.419 -8.699 -4.875 1.00 1.17 H new ATOM 1167 N SER A 82 -15.017 -7.452 -1.118 1.00 0.59 N ATOM 1168 CA SER A 82 -14.357 -7.488 0.179 1.00 0.63 C ATOM 1169 C SER A 82 -13.897 -8.905 0.527 1.00 0.59 C ATOM 1170 O SER A 82 -14.712 -9.816 0.675 1.00 0.63 O ATOM 1171 CB SER A 82 -15.314 -6.952 1.242 1.00 0.77 C ATOM 1172 OG SER A 82 -16.644 -7.363 0.966 1.00 1.19 O ATOM 0 H SER A 82 -15.937 -7.011 -1.104 1.00 0.59 H new ATOM 0 HA SER A 82 -13.467 -6.859 0.142 1.00 0.63 H new ATOM 0 HB2 SER A 82 -15.013 -7.312 2.226 1.00 0.77 H new ATOM 0 HB3 SER A 82 -15.262 -5.864 1.271 1.00 0.77 H new ATOM 0 HG SER A 82 -17.245 -7.013 1.657 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.588 -9.081 0.643 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.033 -10.392 0.915 1.00 0.62 C ATOM 1180 C GLY A 83 -11.200 -10.911 -0.242 1.00 0.64 C ATOM 1181 O GLY A 83 -10.550 -11.952 -0.131 1.00 0.79 O ATOM 0 H GLY A 83 -11.898 -8.336 0.553 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.416 -10.345 1.813 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -12.843 -11.092 1.121 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.202 -10.172 -1.346 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.460 -10.564 -2.542 1.00 0.62 C ATOM 1187 C GLU A 84 -9.042 -9.969 -2.527 1.00 0.58 C ATOM 1188 O GLU A 84 -8.489 -9.609 -3.571 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.222 -10.097 -3.787 1.00 0.73 C ATOM 1190 CG GLU A 84 -10.779 -10.761 -5.081 1.00 1.17 C ATOM 1191 CD GLU A 84 -11.466 -10.171 -6.292 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -12.640 -10.516 -6.538 1.00 1.43 O ATOM 1193 OE2 GLU A 84 -10.836 -9.357 -7.006 1.00 1.55 O ATOM 0 H GLU A 84 -11.712 -9.293 -1.439 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.366 -11.650 -2.560 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -12.285 -10.288 -3.640 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -11.103 -9.018 -3.887 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -9.700 -10.655 -5.190 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -10.991 -11.829 -5.030 1.00 1.17 H new ATOM 1200 N MET A 85 -8.457 -9.856 -1.340 1.00 0.47 N ATOM 1201 CA MET A 85 -7.108 -9.320 -1.204 1.00 0.44 C ATOM 1202 C MET A 85 -6.258 -10.235 -0.330 1.00 0.47 C ATOM 1203 O MET A 85 -6.109 -11.424 -0.616 1.00 0.73 O ATOM 1204 CB MET A 85 -7.144 -7.913 -0.596 1.00 0.39 C ATOM 1205 CG MET A 85 -7.817 -6.868 -1.466 1.00 0.37 C ATOM 1206 SD MET A 85 -6.931 -6.569 -3.007 1.00 0.39 S ATOM 1207 CE MET A 85 -7.935 -5.270 -3.720 1.00 0.39 C ATOM 0 H MET A 85 -8.895 -10.128 -0.460 1.00 0.47 H new ATOM 0 HA MET A 85 -6.664 -9.263 -2.198 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.662 -7.958 0.362 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.122 -7.593 -0.391 1.00 0.39 H new ATOM 0 HG2 MET A 85 -8.833 -7.190 -1.693 1.00 0.37 H new ATOM 0 HG3 MET A 85 -7.895 -5.934 -0.910 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.094 -5.473 -4.779 1.00 0.39 H new ATOM 0 HE2 MET A 85 -8.897 -5.232 -3.209 1.00 0.39 H new ATOM 0 HE3 MET A 85 -7.426 -4.313 -3.606 1.00 0.39 H new ATOM 1217 N MET A 86 -5.711 -9.674 0.736 1.00 0.33 N ATOM 1218 CA MET A 86 -4.968 -10.439 1.722 1.00 0.35 C ATOM 1219 C MET A 86 -5.607 -10.230 3.080 1.00 0.40 C ATOM 1220 O MET A 86 -6.292 -9.227 3.281 1.00 0.76 O ATOM 1221 CB MET A 86 -3.500 -10.011 1.768 1.00 0.33 C ATOM 1222 CG MET A 86 -2.746 -10.277 0.476 1.00 0.43 C ATOM 1223 SD MET A 86 -1.023 -9.752 0.557 1.00 1.16 S ATOM 1224 CE MET A 86 -0.441 -10.282 -1.054 1.00 1.39 C ATOM 0 H MET A 86 -5.770 -8.677 0.941 1.00 0.33 H new ATOM 0 HA MET A 86 -4.997 -11.493 1.446 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.448 -8.946 1.996 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.003 -10.536 2.583 1.00 0.33 H new ATOM 0 HG2 MET A 86 -2.787 -11.342 0.249 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.242 -9.757 -0.343 1.00 0.43 H new ATOM 0 HE1 MET A 86 0.614 -10.028 -1.161 1.00 1.39 H new ATOM 0 HE2 MET A 86 -0.566 -11.361 -1.149 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.016 -9.780 -1.832 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.384 -11.152 4.000 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.044 -11.103 5.302 1.00 0.32 C ATOM 1236 C LYS A 87 -5.824 -9.757 6.016 1.00 0.27 C ATOM 1237 O LYS A 87 -6.800 -9.084 6.352 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.586 -12.266 6.187 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.405 -12.426 7.456 1.00 0.97 C ATOM 1240 CD LYS A 87 -5.731 -13.361 8.445 1.00 1.46 C ATOM 1241 CE LYS A 87 -6.626 -13.652 9.641 1.00 2.00 C ATOM 1242 NZ LYS A 87 -7.121 -12.409 10.293 1.00 2.37 N ATOM 0 H LYS A 87 -4.753 -11.944 3.875 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.115 -11.201 5.122 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -5.638 -13.191 5.612 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.540 -12.116 6.456 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -6.552 -11.451 7.920 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -7.393 -12.812 7.205 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -5.474 -14.296 7.946 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -4.797 -12.916 8.789 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -7.476 -14.253 9.318 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -6.074 -14.246 10.369 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -7.582 -12.649 11.194 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -6.321 -11.769 10.473 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -7.806 -11.938 9.668 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.561 -9.311 6.232 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.298 -8.076 6.977 1.00 0.25 C ATOM 1258 C PRO A 88 -4.550 -6.832 6.128 1.00 0.22 C ATOM 1259 O PRO A 88 -4.827 -5.752 6.648 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.822 -8.199 7.341 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.226 -8.994 6.234 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.302 -9.936 5.759 1.00 0.27 C ATOM 0 HA PRO A 88 -4.951 -7.962 7.842 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.351 -7.219 7.423 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.691 -8.697 8.302 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -1.894 -8.344 5.424 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.352 -9.546 6.579 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.291 -10.040 4.674 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.171 -10.934 6.176 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.465 -7.005 4.816 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.723 -5.926 3.875 1.00 0.17 C ATOM 1272 C PHE A 89 -6.200 -5.562 3.925 1.00 0.18 C ATOM 1273 O PHE A 89 -6.562 -4.417 4.180 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.321 -6.380 2.461 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.528 -5.368 1.357 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.799 -5.084 0.880 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.446 -4.731 0.774 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -5.987 -4.181 -0.150 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.627 -3.833 -0.263 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.901 -3.556 -0.725 1.00 0.19 C ATOM 0 H PHE A 89 -4.217 -7.892 4.377 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.136 -5.046 4.139 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.268 -6.661 2.477 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -4.887 -7.278 2.214 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.654 -5.575 1.320 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.449 -4.937 1.133 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.984 -3.965 -0.504 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.773 -3.348 -0.712 1.00 0.20 H new ATOM 0 HZ PHE A 89 -5.044 -2.853 -1.533 1.00 0.19 H new ATOM 1290 N GLU A 90 -7.040 -6.568 3.707 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.487 -6.403 3.717 1.00 0.24 C ATOM 1292 C GLU A 90 -8.948 -5.967 5.100 1.00 0.25 C ATOM 1293 O GLU A 90 -9.882 -5.175 5.235 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.144 -7.724 3.310 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.606 -7.603 2.907 1.00 0.34 C ATOM 1296 CD GLU A 90 -11.561 -8.011 4.012 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -11.793 -9.221 4.192 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -12.078 -7.116 4.708 1.00 1.78 O ATOM 0 H GLU A 90 -6.735 -7.523 3.518 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.779 -5.631 3.005 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.585 -8.152 2.478 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.066 -8.425 4.141 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.813 -6.573 2.617 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -10.788 -8.224 2.030 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.262 -6.481 6.116 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.512 -6.104 7.508 1.00 0.29 C ATOM 1307 C ASP A 91 -8.504 -4.592 7.683 1.00 0.25 C ATOM 1308 O ASP A 91 -9.340 -4.031 8.391 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.458 -6.729 8.426 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.504 -6.173 9.837 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.431 -6.530 10.594 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -6.605 -5.383 10.203 1.00 0.54 O ATOM 0 H ASP A 91 -7.518 -7.169 6.001 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.499 -6.478 7.778 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.607 -7.808 8.461 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.468 -6.557 8.005 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.562 -3.932 7.030 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.443 -2.490 7.132 1.00 0.19 C ATOM 1319 C ALA A 92 -8.486 -1.786 6.273 1.00 0.18 C ATOM 1320 O ALA A 92 -8.947 -0.702 6.620 1.00 0.21 O ATOM 1321 CB ALA A 92 -6.049 -2.049 6.735 1.00 0.22 C ATOM 0 H ALA A 92 -6.870 -4.373 6.424 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.621 -2.211 8.170 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.974 -0.965 6.816 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.318 -2.514 7.396 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.851 -2.351 5.706 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.880 -2.430 5.181 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.767 -1.818 4.194 1.00 0.19 C ATOM 1329 C VAL A 93 -11.133 -1.492 4.790 1.00 0.19 C ATOM 1330 O VAL A 93 -11.630 -0.379 4.643 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.965 -2.720 2.955 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.799 -2.008 1.901 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.624 -3.146 2.375 1.00 0.21 C ATOM 0 H VAL A 93 -8.598 -3.383 4.954 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.279 -0.894 3.884 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.500 -3.616 3.271 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.927 -2.660 1.037 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.776 -1.760 2.316 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -10.293 -1.093 1.594 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.789 -3.780 1.504 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -8.059 -2.262 2.079 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -8.062 -3.701 3.126 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.743 -2.455 5.468 1.00 0.23 N ATOM 1344 CA ARG A 94 -13.060 -2.220 6.052 1.00 0.27 C ATOM 1345 C ARG A 94 -12.930 -1.527 7.405 1.00 0.25 C ATOM 1346 O ARG A 94 -13.928 -1.177 8.034 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.866 -3.523 6.196 1.00 0.41 C ATOM 1348 CG ARG A 94 -13.521 -4.365 7.419 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.224 -5.131 7.242 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.885 -5.909 8.433 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.500 -7.185 8.407 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -11.419 -7.841 7.254 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -11.196 -7.804 9.540 1.00 1.70 N ATOM 0 H ARG A 94 -11.359 -3.387 5.626 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.606 -1.569 5.369 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.926 -3.274 6.233 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.712 -4.128 5.302 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -13.442 -3.718 8.293 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -14.331 -5.067 7.615 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -12.310 -5.798 6.385 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -11.417 -4.433 7.022 1.00 1.03 H new ATOM 0 HE ARG A 94 -11.947 -5.447 9.340 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -11.652 -7.368 6.381 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -11.124 -8.817 7.242 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -11.257 -7.304 10.427 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -10.901 -8.780 9.525 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.695 -1.314 7.840 1.00 0.23 N ATOM 1368 CA ALA A 95 -11.444 -0.689 9.130 1.00 0.25 C ATOM 1369 C ALA A 95 -11.444 0.830 9.016 1.00 0.26 C ATOM 1370 O ALA A 95 -11.567 1.537 10.016 1.00 0.47 O ATOM 1371 CB ALA A 95 -10.127 -1.174 9.709 1.00 0.26 C ATOM 0 H ALA A 95 -10.854 -1.564 7.320 1.00 0.23 H new ATOM 0 HA ALA A 95 -12.251 -0.977 9.803 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.956 -0.696 10.674 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -10.164 -2.255 9.841 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -9.315 -0.919 9.029 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.316 1.325 7.796 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.291 2.759 7.554 1.00 0.19 C ATOM 1379 C LEU A 96 -12.442 3.175 6.656 1.00 0.21 C ATOM 1380 O LEU A 96 -12.869 2.417 5.794 1.00 0.28 O ATOM 1381 CB LEU A 96 -9.954 3.181 6.933 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.294 2.165 5.999 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.952 2.174 4.636 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.815 2.450 5.864 1.00 0.28 C ATOM 0 H LEU A 96 -11.228 0.754 6.956 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.403 3.264 8.514 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.111 4.106 6.378 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.257 3.408 7.740 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.423 1.175 6.436 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.464 1.443 3.992 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -11.007 1.920 4.740 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.860 3.166 4.194 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.363 1.717 5.196 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.673 3.450 5.455 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.342 2.388 6.844 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.948 4.376 6.880 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.012 4.929 6.059 1.00 0.31 C ATOM 1398 C LYS A 97 -13.415 5.535 4.792 1.00 0.28 C ATOM 1399 O LYS A 97 -12.204 5.723 4.711 1.00 0.25 O ATOM 1400 CB LYS A 97 -14.786 5.992 6.861 1.00 0.42 C ATOM 1401 CG LYS A 97 -15.876 6.722 6.083 1.00 0.62 C ATOM 1402 CD LYS A 97 -16.987 5.785 5.631 1.00 0.97 C ATOM 1403 CE LYS A 97 -17.973 6.491 4.708 1.00 1.02 C ATOM 1404 NZ LYS A 97 -18.602 7.668 5.363 1.00 1.61 N ATOM 0 H LYS A 97 -12.636 4.992 7.631 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.706 4.139 5.773 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.240 5.512 7.728 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.076 6.728 7.239 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.299 7.510 6.706 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -15.435 7.207 5.212 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.554 4.928 5.115 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.516 5.399 6.503 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -17.457 6.812 3.803 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.748 5.789 4.401 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -19.361 8.038 4.756 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -19.000 7.383 6.281 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -17.885 8.407 5.511 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.259 5.766 3.792 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.890 6.544 2.613 1.00 0.32 C ATOM 1420 C ILE A 98 -12.992 7.723 3.003 1.00 0.32 C ATOM 1421 O ILE A 98 -13.392 8.589 3.784 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.147 7.109 1.890 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -15.980 6.020 1.190 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.742 8.164 0.868 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -16.427 4.868 2.059 1.00 0.90 C ATOM 0 H ILE A 98 -15.218 5.420 3.775 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.357 5.871 1.942 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.772 7.553 2.665 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -16.865 6.488 0.758 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -15.395 5.619 0.362 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.632 8.550 0.371 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -14.226 8.981 1.373 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -14.078 7.718 0.128 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.005 4.164 1.461 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -15.553 4.363 2.471 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -17.046 5.245 2.873 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.775 7.729 2.485 1.00 0.30 N ATOM 1438 CA GLY A 99 -10.866 8.832 2.735 1.00 0.32 C ATOM 1439 C GLY A 99 -9.922 8.593 3.901 1.00 0.32 C ATOM 1440 O GLY A 99 -9.026 9.402 4.150 1.00 0.46 O ATOM 0 H GLY A 99 -11.397 6.989 1.894 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.279 9.018 1.836 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.447 9.734 2.928 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.110 7.499 4.625 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.235 7.180 5.747 1.00 0.19 C ATOM 1446 C ASP A 100 -8.126 6.248 5.304 1.00 0.15 C ATOM 1447 O ASP A 100 -8.347 5.355 4.488 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.007 6.549 6.906 1.00 0.22 C ATOM 1449 CG ASP A 100 -10.845 7.552 7.666 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.302 8.601 8.071 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.042 7.285 7.886 1.00 0.37 O ATOM 0 H ASP A 100 -10.854 6.821 4.459 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.803 8.117 6.099 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.653 5.761 6.520 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.303 6.077 7.591 1.00 0.22 H new ATOM 1456 N ILE A 101 -6.935 6.464 5.840 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.776 5.664 5.478 1.00 0.16 C ATOM 1458 C ILE A 101 -5.364 4.775 6.646 1.00 0.16 C ATOM 1459 O ILE A 101 -5.555 5.133 7.809 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.582 6.556 5.079 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.058 7.728 4.216 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.539 5.737 4.327 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -3.978 8.744 3.917 1.00 0.21 C ATOM 0 H ILE A 101 -6.746 7.190 6.531 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.055 5.048 4.623 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.127 6.954 5.986 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.449 7.339 3.276 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -5.884 8.228 4.722 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.702 6.379 4.051 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.182 4.929 4.965 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -3.986 5.317 3.426 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.391 9.543 3.302 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.603 9.162 4.851 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.161 8.260 3.382 1.00 0.21 H new ATOM 1475 N SER A 102 -4.818 3.615 6.334 1.00 0.16 N ATOM 1476 CA SER A 102 -4.392 2.668 7.347 1.00 0.19 C ATOM 1477 C SER A 102 -2.917 2.859 7.673 1.00 0.18 C ATOM 1478 O SER A 102 -2.123 3.219 6.804 1.00 0.22 O ATOM 1479 CB SER A 102 -4.623 1.243 6.846 1.00 0.25 C ATOM 1480 OG SER A 102 -3.857 0.980 5.683 1.00 0.92 O ATOM 0 H SER A 102 -4.658 3.304 5.376 1.00 0.16 H new ATOM 0 HA SER A 102 -4.976 2.840 8.251 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.358 0.532 7.628 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.681 1.098 6.629 1.00 0.25 H new ATOM 0 HG SER A 102 -3.246 0.233 5.855 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.534 2.628 8.935 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.128 2.609 9.331 1.00 0.23 C ATOM 1488 C PRO A 103 -0.414 1.400 8.737 1.00 0.20 C ATOM 1489 O PRO A 103 -1.071 0.457 8.284 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.183 2.513 10.856 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.505 1.890 11.149 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.435 2.371 10.072 1.00 0.28 C ATOM 0 HA PRO A 103 -0.578 3.483 8.982 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.365 1.906 11.244 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.098 3.497 11.318 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.433 0.802 11.146 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.865 2.183 12.135 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -4.188 1.622 9.827 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -3.968 3.272 10.374 1.00 0.28 H new ATOM 1500 N ILE A 104 0.918 1.446 8.730 1.00 0.17 N ATOM 1501 CA ILE A 104 1.754 0.372 8.170 1.00 0.15 C ATOM 1502 C ILE A 104 1.215 -1.023 8.493 1.00 0.14 C ATOM 1503 O ILE A 104 1.245 -1.466 9.644 1.00 0.20 O ATOM 1504 CB ILE A 104 3.204 0.453 8.698 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.734 1.884 8.609 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.109 -0.497 7.924 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.651 2.486 7.226 1.00 0.17 C ATOM 0 H ILE A 104 1.453 2.227 9.111 1.00 0.17 H new ATOM 0 HA ILE A 104 1.733 0.522 7.091 1.00 0.15 H new ATOM 0 HB ILE A 104 3.201 0.153 9.746 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.173 2.512 9.301 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.773 1.897 8.938 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.126 -0.426 8.310 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.748 -1.519 8.039 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.102 -0.227 6.868 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.046 3.502 7.247 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.236 1.883 6.531 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.611 2.508 6.901 1.00 0.17 H new ATOM 1519 N VAL A 105 0.711 -1.701 7.473 1.00 0.13 N ATOM 1520 CA VAL A 105 0.245 -3.074 7.608 1.00 0.15 C ATOM 1521 C VAL A 105 1.115 -4.001 6.760 1.00 0.15 C ATOM 1522 O VAL A 105 1.232 -3.821 5.545 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.253 -3.212 7.213 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.553 -2.481 5.918 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.665 -4.674 7.090 1.00 1.04 C ATOM 0 H VAL A 105 0.613 -1.318 6.533 1.00 0.13 H new ATOM 0 HA VAL A 105 0.331 -3.362 8.656 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.835 -2.755 8.013 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.608 -2.597 5.670 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.323 -1.422 6.036 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.944 -2.897 5.116 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.718 -4.733 6.813 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -1.060 -5.159 6.324 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.512 -5.177 8.045 1.00 1.04 H new ATOM 1535 N GLN A 106 1.753 -4.967 7.404 1.00 0.18 N ATOM 1536 CA GLN A 106 2.622 -5.892 6.699 1.00 0.20 C ATOM 1537 C GLN A 106 1.827 -7.055 6.126 1.00 0.23 C ATOM 1538 O GLN A 106 0.777 -7.431 6.649 1.00 0.29 O ATOM 1539 CB GLN A 106 3.715 -6.433 7.617 1.00 0.24 C ATOM 1540 CG GLN A 106 4.702 -5.388 8.100 1.00 0.25 C ATOM 1541 CD GLN A 106 5.892 -6.012 8.802 1.00 0.30 C ATOM 1542 OE1 GLN A 106 5.892 -6.185 10.020 1.00 0.55 O ATOM 1543 NE2 GLN A 106 6.909 -6.377 8.036 1.00 0.28 N ATOM 0 H GLN A 106 1.685 -5.129 8.409 1.00 0.18 H new ATOM 0 HA GLN A 106 3.087 -5.338 5.883 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.247 -6.900 8.483 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.261 -7.215 7.090 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.050 -4.798 7.252 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.199 -4.701 8.781 1.00 0.25 H new ATOM 0 HE21 GLN A 106 6.872 -6.217 7.029 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.729 -6.818 8.453 1.00 0.28 H new ATOM 1552 N THR A 107 2.340 -7.610 5.045 1.00 0.22 N ATOM 1553 CA THR A 107 1.736 -8.753 4.394 1.00 0.27 C ATOM 1554 C THR A 107 2.791 -9.815 4.118 1.00 0.34 C ATOM 1555 O THR A 107 3.941 -9.667 4.529 1.00 0.37 O ATOM 1556 CB THR A 107 1.079 -8.340 3.069 1.00 0.26 C ATOM 1557 OG1 THR A 107 1.975 -7.496 2.332 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.238 -7.616 3.309 1.00 0.27 C ATOM 0 H THR A 107 3.192 -7.278 4.593 1.00 0.22 H new ATOM 0 HA THR A 107 0.973 -9.157 5.059 1.00 0.27 H new ATOM 0 HB THR A 107 0.867 -9.242 2.494 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.514 -6.668 2.083 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.679 -7.336 2.352 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.922 -8.273 3.846 1.00 0.27 H new ATOM 0 HG23 THR A 107 -0.057 -6.719 3.901 1.00 0.27 H new ATOM 1566 N ASP A 108 2.417 -10.867 3.409 1.00 0.40 N ATOM 1567 CA ASP A 108 3.363 -11.924 3.069 1.00 0.49 C ATOM 1568 C ASP A 108 4.357 -11.463 2.010 1.00 0.45 C ATOM 1569 O ASP A 108 5.445 -12.026 1.886 1.00 0.53 O ATOM 1570 CB ASP A 108 2.634 -13.176 2.574 1.00 0.60 C ATOM 1571 CG ASP A 108 1.941 -13.927 3.690 1.00 1.37 C ATOM 1572 OD1 ASP A 108 2.618 -14.692 4.405 1.00 2.16 O ATOM 1573 OD2 ASP A 108 0.714 -13.757 3.854 1.00 1.67 O ATOM 0 H ASP A 108 1.471 -11.014 3.058 1.00 0.40 H new ATOM 0 HA ASP A 108 3.911 -12.167 3.980 1.00 0.49 H new ATOM 0 HB2 ASP A 108 1.898 -12.890 1.822 1.00 0.60 H new ATOM 0 HB3 ASP A 108 3.348 -13.838 2.085 1.00 0.60 H new ATOM 1578 N SER A 109 3.993 -10.443 1.245 1.00 0.39 N ATOM 1579 CA SER A 109 4.850 -9.996 0.162 1.00 0.43 C ATOM 1580 C SER A 109 5.474 -8.630 0.451 1.00 0.53 C ATOM 1581 O SER A 109 6.286 -8.156 -0.328 1.00 1.09 O ATOM 1582 CB SER A 109 4.080 -9.959 -1.158 1.00 0.47 C ATOM 1583 OG SER A 109 4.974 -9.878 -2.259 1.00 0.60 O ATOM 0 H SER A 109 3.125 -9.919 1.353 1.00 0.39 H new ATOM 0 HA SER A 109 5.662 -10.718 0.077 1.00 0.43 H new ATOM 0 HB2 SER A 109 3.462 -10.853 -1.250 1.00 0.47 H new ATOM 0 HB3 SER A 109 3.405 -9.103 -1.167 1.00 0.47 H new ATOM 0 HG SER A 109 5.890 -10.038 -1.949 1.00 0.60 H new ATOM 1589 N GLY A 110 5.081 -7.978 1.537 1.00 0.22 N ATOM 1590 CA GLY A 110 5.791 -6.805 1.964 1.00 0.19 C ATOM 1591 C GLY A 110 4.947 -5.900 2.826 1.00 0.16 C ATOM 1592 O GLY A 110 4.254 -6.347 3.734 1.00 0.24 O ATOM 0 H GLY A 110 4.288 -8.243 2.121 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.680 -7.104 2.519 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.133 -6.253 1.089 1.00 0.19 H new ATOM 1596 N LEU A 111 4.971 -4.638 2.488 1.00 0.12 N ATOM 1597 CA LEU A 111 4.368 -3.588 3.304 1.00 0.11 C ATOM 1598 C LEU A 111 3.255 -2.878 2.551 1.00 0.11 C ATOM 1599 O LEU A 111 3.349 -2.669 1.342 1.00 0.13 O ATOM 1600 CB LEU A 111 5.432 -2.568 3.715 1.00 0.12 C ATOM 1601 CG LEU A 111 5.957 -2.691 5.146 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.568 -4.061 5.391 1.00 0.15 C ATOM 1603 CD2 LEU A 111 6.974 -1.596 5.419 1.00 0.19 C ATOM 0 H LEU A 111 5.410 -4.295 1.634 1.00 0.12 H new ATOM 0 HA LEU A 111 3.943 -4.056 4.192 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.276 -2.656 3.030 1.00 0.12 H new ATOM 0 HB3 LEU A 111 5.018 -1.568 3.585 1.00 0.12 H new ATOM 0 HG LEU A 111 5.118 -2.576 5.832 1.00 0.14 H new ATOM 0 HD11 LEU A 111 6.933 -4.119 6.417 1.00 0.15 H new ATOM 0 HD12 LEU A 111 5.813 -4.830 5.231 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.398 -4.218 4.702 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.344 -1.689 6.440 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.806 -1.690 4.721 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.502 -0.622 5.292 1.00 0.19 H new ATOM 1615 N HIS A 112 2.198 -2.508 3.262 1.00 0.11 N ATOM 1616 CA HIS A 112 1.070 -1.826 2.642 1.00 0.12 C ATOM 1617 C HIS A 112 0.521 -0.700 3.502 1.00 0.14 C ATOM 1618 O HIS A 112 0.617 -0.725 4.729 1.00 0.22 O ATOM 1619 CB HIS A 112 -0.074 -2.802 2.370 1.00 0.14 C ATOM 1620 CG HIS A 112 0.182 -3.758 1.257 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.692 -5.006 1.268 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 -0.136 -3.482 -0.053 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.668 -5.462 -0.024 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.165 -4.526 -0.801 1.00 0.21 N flip ATOM 0 H HIS A 112 2.098 -2.668 4.264 1.00 0.11 H new ATOM 0 HA HIS A 112 1.454 -1.408 1.712 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.276 -3.368 3.279 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.975 -2.232 2.143 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.564 -2.558 -0.412 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.007 -6.433 -0.352 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.031 -4.596 -1.810 1.00 0.21 H new ATOM 1633 N ILE A 113 -0.017 0.299 2.826 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.965 1.227 3.413 1.00 0.13 C ATOM 1635 C ILE A 113 -2.133 1.359 2.453 1.00 0.12 C ATOM 1636 O ILE A 113 -1.935 1.358 1.233 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.363 2.619 3.677 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.410 3.098 2.450 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.532 2.582 4.907 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.352 4.588 2.230 1.00 0.17 C ATOM 0 H ILE A 113 0.194 0.490 1.846 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.273 0.834 4.382 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.171 3.325 3.868 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.453 2.797 2.550 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.016 2.595 1.567 1.00 0.15 H new ATOM 0 HG21 ILE A 113 0.951 3.573 5.082 1.00 0.15 H new ATOM 0 HG22 ILE A 113 -0.054 2.277 5.774 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.341 1.869 4.747 1.00 0.15 H new ATOM 0 HD11 ILE A 113 0.925 4.847 1.340 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.685 4.896 2.096 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.774 5.100 3.095 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.342 1.420 2.977 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.521 1.465 2.131 1.00 0.11 C ATOM 1654 C ILE A 114 -5.456 2.576 2.586 1.00 0.11 C ATOM 1655 O ILE A 114 -5.509 2.901 3.769 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.299 0.119 2.136 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.356 -1.088 2.049 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.281 0.078 0.979 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.903 -1.614 3.396 1.00 0.18 C ATOM 0 H ILE A 114 -3.534 1.440 3.979 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.174 1.656 1.116 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.838 0.059 3.082 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.858 -1.890 1.507 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.479 -0.809 1.465 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.820 -0.869 0.993 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.990 0.900 1.074 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.739 0.173 0.038 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.240 -2.466 3.249 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.371 -0.829 3.933 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.772 -1.926 3.976 1.00 0.18 H new ATOM 1671 N LYS A 115 -6.163 3.177 1.642 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.209 4.131 1.965 1.00 0.14 C ATOM 1673 C LYS A 115 -8.469 3.748 1.197 1.00 0.15 C ATOM 1674 O LYS A 115 -8.388 3.345 0.035 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.781 5.567 1.614 1.00 0.16 C ATOM 1676 CG LYS A 115 -7.053 5.969 0.171 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.667 7.413 -0.093 1.00 0.24 C ATOM 1678 CE LYS A 115 -7.349 7.957 -1.340 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.956 9.362 -1.617 1.00 0.61 N ATOM 0 H LYS A 115 -6.030 3.019 0.643 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.402 4.103 3.037 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.301 6.260 2.276 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.715 5.675 1.814 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.496 5.315 -0.500 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -8.111 5.829 -0.053 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.938 8.026 0.767 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.586 7.486 -0.208 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -7.092 7.333 -2.196 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -8.430 7.900 -1.217 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -7.442 9.696 -2.474 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -7.224 9.963 -0.811 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.927 9.413 -1.760 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.626 3.841 1.833 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.864 3.472 1.161 1.00 0.17 C ATOM 1695 C ARG A 116 -11.355 4.600 0.267 1.00 0.19 C ATOM 1696 O ARG A 116 -11.404 5.759 0.674 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.960 3.068 2.154 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.337 3.031 1.516 1.00 0.28 C ATOM 1699 CD ARG A 116 -14.291 2.052 2.173 1.00 0.49 C ATOM 1700 NE ARG A 116 -14.410 2.215 3.613 1.00 0.79 N ATOM 1701 CZ ARG A 116 -15.556 2.034 4.276 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -16.671 1.747 3.615 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -15.587 2.133 5.598 1.00 1.87 N ATOM 0 H ARG A 116 -9.735 4.162 2.795 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.641 2.603 0.542 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.728 2.086 2.567 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.968 3.771 2.987 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.772 4.030 1.555 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -13.232 2.770 0.463 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -15.277 2.164 1.723 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -13.957 1.037 1.959 1.00 0.49 H new ATOM 0 HE ARG A 116 -13.579 2.480 4.142 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -16.654 1.664 2.599 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -17.544 1.609 4.124 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -14.734 2.348 6.113 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -16.464 1.994 6.099 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.705 4.238 -0.954 1.00 0.22 N ATOM 1718 CA LEU A 117 -12.240 5.173 -1.931 1.00 0.27 C ATOM 1719 C LEU A 117 -13.760 5.114 -1.919 1.00 0.29 C ATOM 1720 O LEU A 117 -14.436 6.135 -2.006 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.722 4.825 -3.333 1.00 0.32 C ATOM 1722 CG LEU A 117 -10.348 5.387 -3.721 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -10.426 6.874 -3.995 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.316 5.114 -2.644 1.00 0.80 C ATOM 0 H LEU A 117 -11.626 3.281 -1.299 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.914 6.180 -1.672 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.682 3.739 -3.421 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.452 5.177 -4.062 1.00 0.32 H new ATOM 0 HG LEU A 117 -10.037 4.878 -4.634 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -9.438 7.246 -4.268 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -11.122 7.057 -4.814 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.774 7.391 -3.101 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.354 5.525 -2.950 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.631 5.582 -1.711 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -9.221 4.038 -2.496 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.287 3.901 -1.805 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.721 3.678 -1.784 1.00 0.30 C ATOM 1738 C ALA A 118 -16.042 2.430 -0.976 1.00 0.30 C ATOM 1739 O ALA A 118 -15.489 1.362 -1.294 1.00 1.10 O ATOM 1740 CB ALA A 118 -16.270 3.558 -3.199 1.00 0.39 C ATOM 1741 OXT ALA A 118 -16.843 2.525 -0.025 1.00 1.09 O ATOM 0 H ALA A 118 -13.732 3.049 -1.725 1.00 0.26 H new ATOM 0 HA ALA A 118 -16.199 4.535 -1.310 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.346 3.391 -3.159 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -16.066 4.477 -3.748 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.792 2.719 -3.705 1.00 0.39 H new