USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 LYS NZ :NH3+ 149:sc= 2.22 (180deg=0.919) USER MOD Set 1.2: A 22 ASN : amide:sc= 1.08 K(o=3.4,f=-13!) USER MOD Set 1.3: A 109 SER OG : rot 34:sc= 0.129 USER MOD Set 2.1: A 107 THR OG1 : rot -128:sc= 0.805 USER MOD Set 2.2: A 112 HIS :FLIP no HD1:sc= -4.14! C(o=-4.6!,f=-3.3!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 180:sc= 1.03 (180deg=-0.15) USER MOD Set 3.2: A 81 SER OG : rot 180:sc= 1.01 USER MOD Set 4.1: A 12 HIS : no HD1:sc= -1.59! C(o=-1.1!,f=-13!) USER MOD Set 4.2: A 68 CYS SG : rot 140:sc= 0.509 USER MOD Set 4.3: A 70 SER OG : rot -81:sc= -0.042 USER MOD Set 5.1: A 25 SER OG : rot 180:sc= 0.82 USER MOD Set 5.2: A 28 THR OG1 : rot -82:sc= 1.19 USER MOD Single : A 18 SER OG : rot -78:sc= 0.841 USER MOD Single : A 20 SER OG : rot -76:sc= 1.37 USER MOD Single : A 31 SER OG : rot 80:sc= -0.0416 USER MOD Single : A 32 THR OG1 : rot -151:sc= -0.425 USER MOD Single : A 36 THR OG1 : rot -85:sc= 1.36 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.145 F(o=-2.6!,f=-0.14) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.0237 (180deg=-0.216) USER MOD Single : A 48 SER OG : rot 170:sc= -0.0843 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -1:sc= -1.49 USER MOD Single : A 57 SER OG : rot -65:sc= -0.372 USER MOD Single : A 63 SER OG : rot 94:sc= -0.601 USER MOD Single : A 64 GLN : amide:sc= 1.29 K(o=1.3,f=-0.23) USER MOD Single : A 66 SER OG : rot -40:sc= 1.26 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 45:sc= 0.035 USER MOD Single : A 85 MET CE :methyl -161:sc= -0.0938 (180deg=-0.519) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 120:sc= 0.924 USER MOD Single : A 106 GLN : amide:sc=-0.00442 X(o=-0.0044,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 7 -18.829 -5.027 -2.887 1.00 0.57 N ATOM 47 CA LYS A 7 -17.966 -4.306 -3.808 1.00 0.51 C ATOM 48 C LYS A 7 -17.400 -3.059 -3.149 1.00 0.42 C ATOM 49 O LYS A 7 -18.132 -2.131 -2.797 1.00 0.60 O ATOM 50 CB LYS A 7 -18.714 -3.949 -5.090 1.00 0.64 C ATOM 51 CG LYS A 7 -18.867 -5.123 -6.040 1.00 0.92 C ATOM 52 CD LYS A 7 -17.527 -5.548 -6.619 1.00 0.87 C ATOM 53 CE LYS A 7 -17.668 -6.741 -7.548 1.00 1.10 C ATOM 54 NZ LYS A 7 -18.139 -7.956 -6.831 1.00 1.19 N ATOM 0 HA LYS A 7 -17.135 -4.959 -4.074 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.702 -3.567 -4.832 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -18.184 -3.144 -5.600 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -19.320 -5.963 -5.513 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -19.545 -4.852 -6.849 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -17.085 -4.713 -7.163 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -16.843 -5.798 -5.808 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -18.369 -6.497 -8.346 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -16.707 -6.948 -8.019 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -18.221 -8.746 -7.503 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -17.458 -8.205 -6.086 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -19.068 -7.768 -6.403 1.00 1.19 H new ATOM 68 N LEU A 8 -16.092 -3.059 -2.978 1.00 0.33 N ATOM 69 CA LEU A 8 -15.388 -1.958 -2.358 1.00 0.26 C ATOM 70 C LEU A 8 -14.371 -1.395 -3.346 1.00 0.22 C ATOM 71 O LEU A 8 -14.167 -1.961 -4.423 1.00 0.22 O ATOM 72 CB LEU A 8 -14.686 -2.442 -1.086 1.00 0.25 C ATOM 73 CG LEU A 8 -14.470 -1.384 0.002 1.00 0.33 C ATOM 74 CD1 LEU A 8 -15.799 -0.944 0.592 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.557 -1.924 1.094 1.00 0.81 C ATOM 0 H LEU A 8 -15.487 -3.827 -3.267 1.00 0.33 H new ATOM 0 HA LEU A 8 -16.095 -1.174 -2.086 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.269 -3.259 -0.661 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.716 -2.853 -1.364 1.00 0.25 H new ATOM 0 HG LEU A 8 -13.992 -0.516 -0.453 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -15.624 -0.193 1.362 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -16.423 -0.519 -0.194 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -16.304 -1.804 1.032 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -13.414 -1.161 1.859 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -14.010 -2.807 1.543 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -12.592 -2.191 0.663 1.00 0.81 H new ATOM 87 N ARG A 9 -13.752 -0.288 -2.984 1.00 0.24 N ATOM 88 CA ARG A 9 -12.724 0.335 -3.805 1.00 0.23 C ATOM 89 C ARG A 9 -11.700 1.009 -2.906 1.00 0.20 C ATOM 90 O ARG A 9 -12.064 1.798 -2.032 1.00 0.21 O ATOM 91 CB ARG A 9 -13.338 1.365 -4.757 1.00 0.25 C ATOM 92 CG ARG A 9 -12.304 2.114 -5.577 1.00 0.26 C ATOM 93 CD ARG A 9 -12.937 3.174 -6.458 1.00 0.34 C ATOM 94 NE ARG A 9 -11.927 3.996 -7.121 1.00 0.49 N ATOM 95 CZ ARG A 9 -12.182 4.820 -8.136 1.00 0.81 C ATOM 96 NH1 ARG A 9 -13.419 4.970 -8.588 1.00 1.06 N ATOM 97 NH2 ARG A 9 -11.191 5.490 -8.700 1.00 0.98 N ATOM 0 H ARG A 9 -13.945 0.207 -2.113 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.238 -0.436 -4.403 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -14.030 0.860 -5.431 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.922 2.081 -4.179 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.581 2.582 -4.909 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.753 1.408 -6.198 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.567 2.696 -7.208 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.585 3.809 -5.855 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.966 3.935 -6.785 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -14.185 4.452 -8.158 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.604 5.603 -9.366 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -10.237 5.374 -8.357 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -11.380 6.122 -9.478 1.00 0.98 H new ATOM 111 N ALA A 10 -10.423 0.701 -3.097 1.00 0.20 N ATOM 112 CA ALA A 10 -9.396 1.267 -2.237 1.00 0.17 C ATOM 113 C ALA A 10 -8.090 1.506 -2.982 1.00 0.16 C ATOM 114 O ALA A 10 -7.764 0.799 -3.931 1.00 0.17 O ATOM 115 CB ALA A 10 -9.162 0.355 -1.045 1.00 0.22 C ATOM 0 H ALA A 10 -10.080 0.075 -3.825 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.752 2.238 -1.892 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.392 0.784 -0.404 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.088 0.251 -0.479 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -8.838 -0.625 -1.395 1.00 0.22 H new ATOM 121 N ALA A 11 -7.350 2.512 -2.540 1.00 0.17 N ATOM 122 CA ALA A 11 -6.037 2.810 -3.096 1.00 0.18 C ATOM 123 C ALA A 11 -4.968 2.311 -2.139 1.00 0.17 C ATOM 124 O ALA A 11 -5.066 2.532 -0.933 1.00 0.19 O ATOM 125 CB ALA A 11 -5.877 4.305 -3.349 1.00 0.20 C ATOM 0 H ALA A 11 -7.639 3.141 -1.791 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.932 2.303 -4.055 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.888 4.500 -3.764 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.639 4.638 -4.054 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.990 4.847 -2.410 1.00 0.20 H new ATOM 131 N HIS A 12 -3.954 1.640 -2.661 1.00 0.16 N ATOM 132 CA HIS A 12 -2.980 0.981 -1.799 1.00 0.16 C ATOM 133 C HIS A 12 -1.547 1.208 -2.275 1.00 0.15 C ATOM 134 O HIS A 12 -1.292 1.372 -3.467 1.00 0.19 O ATOM 135 CB HIS A 12 -3.268 -0.523 -1.723 1.00 0.17 C ATOM 136 CG HIS A 12 -2.876 -1.291 -2.952 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.605 -1.282 -4.114 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.818 -2.101 -3.185 1.00 0.22 C ATOM 139 CE1 HIS A 12 -3.013 -2.057 -5.004 1.00 0.23 C ATOM 140 NE2 HIS A 12 -1.928 -2.565 -4.466 1.00 0.21 N ATOM 0 H HIS A 12 -3.783 1.536 -3.661 1.00 0.16 H new ATOM 0 HA HIS A 12 -3.076 1.423 -0.807 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.740 -0.939 -0.865 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.333 -0.668 -1.543 1.00 0.17 H new ATOM 0 HD2 HIS A 12 -1.030 -2.338 -2.486 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.363 -2.243 -6.009 1.00 0.23 H new ATOM 0 HE2 HIS A 12 -1.276 -3.200 -4.927 1.00 0.21 H new ATOM 149 N LEU A 13 -0.621 1.191 -1.330 1.00 0.15 N ATOM 150 CA LEU A 13 0.798 1.306 -1.633 1.00 0.14 C ATOM 151 C LEU A 13 1.502 0.042 -1.143 1.00 0.16 C ATOM 152 O LEU A 13 1.103 -0.539 -0.135 1.00 0.24 O ATOM 153 CB LEU A 13 1.376 2.566 -0.968 1.00 0.15 C ATOM 154 CG LEU A 13 2.659 3.138 -1.593 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.834 4.594 -1.198 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.884 2.343 -1.167 1.00 0.18 C ATOM 0 H LEU A 13 -0.829 1.098 -0.336 1.00 0.15 H new ATOM 0 HA LEU A 13 0.952 1.403 -2.708 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.612 3.343 -0.984 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.577 2.339 0.079 1.00 0.15 H new ATOM 0 HG LEU A 13 2.561 3.065 -2.676 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.746 4.986 -1.648 1.00 0.16 H new ATOM 0 HD12 LEU A 13 1.979 5.172 -1.550 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.902 4.671 -0.113 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.774 2.773 -1.626 1.00 0.18 H new ATOM 0 HD22 LEU A 13 3.982 2.379 -0.082 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.775 1.307 -1.488 1.00 0.18 H new ATOM 168 N LEU A 14 2.514 -0.403 -1.877 1.00 0.13 N ATOM 169 CA LEU A 14 3.221 -1.636 -1.554 1.00 0.14 C ATOM 170 C LEU A 14 4.731 -1.423 -1.576 1.00 0.16 C ATOM 171 O LEU A 14 5.282 -0.978 -2.575 1.00 0.27 O ATOM 172 CB LEU A 14 2.820 -2.731 -2.550 1.00 0.16 C ATOM 173 CG LEU A 14 3.651 -4.021 -2.523 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.643 -4.661 -1.143 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.118 -4.995 -3.561 1.00 0.27 C ATOM 0 H LEU A 14 2.866 0.076 -2.706 1.00 0.13 H new ATOM 0 HA LEU A 14 2.944 -1.945 -0.546 1.00 0.14 H new ATOM 0 HB2 LEU A 14 1.778 -2.993 -2.367 1.00 0.16 H new ATOM 0 HB3 LEU A 14 2.872 -2.313 -3.555 1.00 0.16 H new ATOM 0 HG LEU A 14 4.684 -3.767 -2.761 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.241 -5.572 -1.161 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.063 -3.965 -0.417 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.619 -4.905 -0.861 1.00 0.18 H new ATOM 0 HD21 LEU A 14 3.710 -5.910 -3.539 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.077 -5.231 -3.338 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.184 -4.544 -4.551 1.00 0.27 H new ATOM 187 N VAL A 15 5.388 -1.736 -0.472 1.00 0.13 N ATOM 188 CA VAL A 15 6.841 -1.656 -0.402 1.00 0.13 C ATOM 189 C VAL A 15 7.430 -3.054 -0.232 1.00 0.13 C ATOM 190 O VAL A 15 6.891 -3.876 0.512 1.00 0.15 O ATOM 191 CB VAL A 15 7.312 -0.747 0.762 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.832 -0.686 0.830 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.738 0.652 0.617 1.00 0.15 C ATOM 0 H VAL A 15 4.940 -2.048 0.390 1.00 0.13 H new ATOM 0 HA VAL A 15 7.193 -1.216 -1.335 1.00 0.13 H new ATOM 0 HB VAL A 15 6.945 -1.181 1.692 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.134 -0.041 1.656 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.230 -1.688 0.988 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.222 -0.284 -0.105 1.00 0.13 H new ATOM 0 HG21 VAL A 15 7.081 1.274 1.444 1.00 0.15 H new ATOM 0 HG22 VAL A 15 7.071 1.086 -0.326 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.649 0.602 0.628 1.00 0.15 H new ATOM 203 N LYS A 16 8.513 -3.326 -0.947 1.00 0.15 N ATOM 204 CA LYS A 16 9.202 -4.602 -0.844 1.00 0.17 C ATOM 205 C LYS A 16 10.560 -4.405 -0.187 1.00 0.16 C ATOM 206 O LYS A 16 11.108 -3.302 -0.201 1.00 0.24 O ATOM 207 CB LYS A 16 9.374 -5.240 -2.224 1.00 0.23 C ATOM 208 CG LYS A 16 8.062 -5.610 -2.886 1.00 0.26 C ATOM 209 CD LYS A 16 7.274 -6.587 -2.035 1.00 0.37 C ATOM 210 CE LYS A 16 5.975 -6.998 -2.708 1.00 0.48 C ATOM 211 NZ LYS A 16 6.185 -7.559 -4.069 1.00 0.62 N ATOM 0 H LYS A 16 8.935 -2.674 -1.609 1.00 0.15 H new ATOM 0 HA LYS A 16 8.599 -5.272 -0.230 1.00 0.17 H new ATOM 0 HB2 LYS A 16 9.916 -4.549 -2.870 1.00 0.23 H new ATOM 0 HB3 LYS A 16 9.989 -6.135 -2.128 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.470 -4.710 -3.054 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.257 -6.050 -3.864 1.00 0.26 H new ATOM 0 HD2 LYS A 16 7.880 -7.472 -1.842 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.055 -6.133 -1.068 1.00 0.37 H new ATOM 0 HE2 LYS A 16 5.468 -7.738 -2.089 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.315 -6.133 -2.774 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 5.449 -8.266 -4.270 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 6.132 -6.794 -4.772 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.121 -8.010 -4.118 1.00 0.62 H new ATOM 225 N PHE A 17 11.107 -5.472 0.361 1.00 0.17 N ATOM 226 CA PHE A 17 12.354 -5.396 1.101 1.00 0.17 C ATOM 227 C PHE A 17 13.128 -6.695 0.964 1.00 0.19 C ATOM 228 O PHE A 17 12.584 -7.702 0.528 1.00 0.21 O ATOM 229 CB PHE A 17 12.097 -5.068 2.577 1.00 0.17 C ATOM 230 CG PHE A 17 11.170 -6.017 3.289 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.638 -7.214 3.811 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.833 -5.698 3.459 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.790 -8.074 4.482 1.00 0.23 C ATOM 234 CE2 PHE A 17 8.981 -6.552 4.133 1.00 0.23 C ATOM 235 CZ PHE A 17 9.459 -7.741 4.644 1.00 0.25 C ATOM 0 H PHE A 17 10.706 -6.408 0.308 1.00 0.17 H new ATOM 0 HA PHE A 17 12.954 -4.590 0.680 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.052 -5.055 3.102 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.683 -4.062 2.643 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.679 -7.477 3.691 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.451 -4.770 3.060 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.167 -9.005 4.879 1.00 0.23 H new ATOM 0 HE2 PHE A 17 7.941 -6.289 4.260 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.794 -8.410 5.170 1.00 0.25 H new ATOM 245 N SER A 18 14.410 -6.651 1.274 1.00 0.22 N ATOM 246 CA SER A 18 15.241 -7.840 1.249 1.00 0.26 C ATOM 247 C SER A 18 14.601 -8.960 2.072 1.00 0.30 C ATOM 248 O SER A 18 14.529 -8.882 3.300 1.00 0.30 O ATOM 249 CB SER A 18 16.632 -7.499 1.785 1.00 0.29 C ATOM 250 OG SER A 18 16.556 -6.874 3.058 1.00 1.04 O ATOM 0 H SER A 18 14.901 -5.800 1.548 1.00 0.22 H new ATOM 0 HA SER A 18 15.333 -8.192 0.222 1.00 0.26 H new ATOM 0 HB2 SER A 18 17.228 -8.408 1.859 1.00 0.29 H new ATOM 0 HB3 SER A 18 17.143 -6.839 1.084 1.00 0.29 H new ATOM 0 HG SER A 18 16.310 -5.932 2.946 1.00 1.04 H new ATOM 256 N GLY A 19 14.119 -9.991 1.387 1.00 0.35 N ATOM 257 CA GLY A 19 13.476 -11.093 2.073 1.00 0.45 C ATOM 258 C GLY A 19 11.959 -11.038 1.991 1.00 0.42 C ATOM 259 O GLY A 19 11.274 -11.808 2.662 1.00 0.53 O ATOM 0 H GLY A 19 14.162 -10.082 0.372 1.00 0.35 H new ATOM 0 HA2 GLY A 19 13.824 -12.033 1.645 1.00 0.45 H new ATOM 0 HA3 GLY A 19 13.778 -11.088 3.120 1.00 0.45 H new ATOM 263 N SER A 20 11.424 -10.133 1.173 1.00 0.34 N ATOM 264 CA SER A 20 9.980 -9.985 1.043 1.00 0.41 C ATOM 265 C SER A 20 9.409 -10.988 0.041 1.00 0.40 C ATOM 266 O SER A 20 8.470 -10.672 -0.692 1.00 0.45 O ATOM 267 CB SER A 20 9.639 -8.556 0.605 1.00 0.51 C ATOM 268 OG SER A 20 10.223 -8.239 -0.649 1.00 0.70 O ATOM 0 H SER A 20 11.969 -9.494 0.593 1.00 0.34 H new ATOM 0 HA SER A 20 9.529 -10.184 2.015 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.557 -8.443 0.542 1.00 0.51 H new ATOM 0 HB3 SER A 20 9.989 -7.851 1.359 1.00 0.51 H new ATOM 0 HG SER A 20 11.179 -8.062 -0.529 1.00 0.70 H new ATOM 274 N ARG A 21 10.006 -12.181 -0.006 1.00 0.43 N ATOM 275 CA ARG A 21 9.628 -13.239 -0.948 1.00 0.49 C ATOM 276 C ARG A 21 10.092 -12.899 -2.365 1.00 0.51 C ATOM 277 O ARG A 21 10.364 -13.787 -3.171 1.00 0.60 O ATOM 278 CB ARG A 21 8.119 -13.524 -0.904 1.00 0.58 C ATOM 279 CG ARG A 21 7.680 -14.207 0.379 1.00 1.25 C ATOM 280 CD ARG A 21 6.230 -14.650 0.310 1.00 1.25 C ATOM 281 NE ARG A 21 5.805 -15.293 1.551 1.00 2.28 N ATOM 282 CZ ARG A 21 4.727 -16.065 1.666 1.00 2.47 C ATOM 283 NH1 ARG A 21 3.943 -16.288 0.618 1.00 1.89 N ATOM 284 NH2 ARG A 21 4.436 -16.620 2.835 1.00 3.49 N ATOM 0 H ARG A 21 10.772 -12.443 0.614 1.00 0.43 H new ATOM 0 HA ARG A 21 10.135 -14.153 -0.640 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.575 -12.586 -1.014 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.849 -14.151 -1.754 1.00 0.58 H new ATOM 0 HG2 ARG A 21 8.316 -15.072 0.567 1.00 1.25 H new ATOM 0 HG3 ARG A 21 7.813 -13.525 1.219 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.594 -13.787 0.110 1.00 1.25 H new ATOM 0 HD3 ARG A 21 6.099 -15.342 -0.522 1.00 1.25 H new ATOM 0 HE ARG A 21 6.372 -15.140 2.385 1.00 2.28 H new ATOM 0 HH11 ARG A 21 4.165 -15.866 -0.284 1.00 1.89 H new ATOM 0 HH12 ARG A 21 3.119 -16.881 0.715 1.00 1.89 H new ATOM 0 HH21 ARG A 21 5.038 -16.455 3.642 1.00 3.49 H new ATOM 0 HH22 ARG A 21 3.611 -17.212 2.927 1.00 3.49 H new ATOM 298 N ASN A 22 10.182 -11.608 -2.651 1.00 0.51 N ATOM 299 CA ASN A 22 10.757 -11.117 -3.891 1.00 0.62 C ATOM 300 C ASN A 22 11.394 -9.749 -3.670 1.00 0.58 C ATOM 301 O ASN A 22 10.705 -8.739 -3.520 1.00 0.64 O ATOM 302 CB ASN A 22 9.717 -11.055 -5.010 1.00 0.87 C ATOM 303 CG ASN A 22 8.401 -10.414 -4.595 1.00 0.93 C ATOM 304 OD1 ASN A 22 8.227 -9.199 -4.684 1.00 1.77 O ATOM 305 ND2 ASN A 22 7.454 -11.235 -4.163 1.00 0.80 N ATOM 0 H ASN A 22 9.857 -10.871 -2.026 1.00 0.51 H new ATOM 0 HA ASN A 22 11.529 -11.820 -4.204 1.00 0.62 H new ATOM 0 HB2 ASN A 22 10.133 -10.497 -5.849 1.00 0.87 H new ATOM 0 HB3 ASN A 22 9.521 -12.066 -5.366 1.00 0.87 H new ATOM 0 HD21 ASN A 22 6.543 -10.865 -3.891 1.00 0.80 H new ATOM 0 HD22 ASN A 22 7.636 -12.237 -4.103 1.00 0.80 H new ATOM 312 N PRO A 23 12.730 -9.711 -3.605 1.00 0.55 N ATOM 313 CA PRO A 23 13.493 -8.481 -3.373 1.00 0.61 C ATOM 314 C PRO A 23 13.564 -7.569 -4.602 1.00 0.79 C ATOM 315 O PRO A 23 14.651 -7.233 -5.061 1.00 1.71 O ATOM 316 CB PRO A 23 14.905 -8.981 -3.034 1.00 0.66 C ATOM 317 CG PRO A 23 14.794 -10.464 -2.901 1.00 0.73 C ATOM 318 CD PRO A 23 13.612 -10.873 -3.719 1.00 0.57 C ATOM 0 HA PRO A 23 13.024 -7.881 -2.593 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.613 -8.711 -3.817 1.00 0.66 H new ATOM 0 HB3 PRO A 23 15.267 -8.532 -2.109 1.00 0.66 H new ATOM 0 HG2 PRO A 23 15.700 -10.955 -3.256 1.00 0.73 H new ATOM 0 HG3 PRO A 23 14.663 -10.752 -1.858 1.00 0.73 H new ATOM 0 HD2 PRO A 23 13.886 -11.075 -4.755 1.00 0.57 H new ATOM 0 HD3 PRO A 23 13.144 -11.778 -3.331 1.00 0.57 H new ATOM 326 N VAL A 24 12.412 -7.158 -5.116 1.00 0.39 N ATOM 327 CA VAL A 24 12.337 -6.230 -6.249 1.00 0.36 C ATOM 328 C VAL A 24 11.084 -5.368 -6.131 1.00 0.32 C ATOM 329 O VAL A 24 9.970 -5.873 -6.254 1.00 0.35 O ATOM 330 CB VAL A 24 12.288 -6.945 -7.625 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.332 -5.923 -8.754 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.414 -7.955 -7.781 1.00 0.48 C ATOM 0 H VAL A 24 11.502 -7.455 -4.764 1.00 0.39 H new ATOM 0 HA VAL A 24 13.246 -5.631 -6.207 1.00 0.36 H new ATOM 0 HB VAL A 24 11.348 -7.494 -7.676 1.00 0.42 H new ATOM 0 HG11 VAL A 24 12.297 -6.439 -9.713 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.477 -5.252 -8.671 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.254 -5.345 -8.686 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.342 -8.432 -8.758 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.374 -7.446 -7.696 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.334 -8.712 -7.001 1.00 0.48 H new ATOM 342 N SER A 25 11.265 -4.084 -5.865 1.00 0.32 N ATOM 343 CA SER A 25 10.149 -3.147 -5.790 1.00 0.32 C ATOM 344 C SER A 25 10.092 -2.273 -7.044 1.00 0.32 C ATOM 345 O SER A 25 11.116 -2.055 -7.687 1.00 0.36 O ATOM 346 CB SER A 25 10.310 -2.272 -4.545 1.00 0.42 C ATOM 347 OG SER A 25 11.619 -1.726 -4.474 1.00 1.12 O ATOM 0 H SER A 25 12.178 -3.663 -5.696 1.00 0.32 H new ATOM 0 HA SER A 25 9.217 -3.708 -5.725 1.00 0.32 H new ATOM 0 HB2 SER A 25 9.576 -1.466 -4.565 1.00 0.42 H new ATOM 0 HB3 SER A 25 10.110 -2.864 -3.652 1.00 0.42 H new ATOM 0 HG SER A 25 11.698 -1.169 -3.671 1.00 1.12 H new ATOM 353 N ARG A 26 8.902 -1.758 -7.384 1.00 0.32 N ATOM 354 CA ARG A 26 8.778 -0.764 -8.465 1.00 0.34 C ATOM 355 C ARG A 26 9.554 0.500 -8.119 1.00 0.37 C ATOM 356 O ARG A 26 9.798 1.347 -8.974 1.00 0.44 O ATOM 357 CB ARG A 26 7.319 -0.398 -8.754 1.00 0.39 C ATOM 358 CG ARG A 26 6.715 -1.140 -9.939 1.00 0.52 C ATOM 359 CD ARG A 26 6.829 -2.651 -9.811 1.00 0.82 C ATOM 360 NE ARG A 26 6.494 -3.323 -11.069 1.00 1.21 N ATOM 361 CZ ARG A 26 5.565 -4.273 -11.197 1.00 1.88 C ATOM 362 NH1 ARG A 26 4.871 -4.682 -10.147 1.00 2.47 N ATOM 363 NH2 ARG A 26 5.330 -4.818 -12.383 1.00 2.54 N ATOM 0 H ARG A 26 8.021 -2.008 -6.934 1.00 0.32 H new ATOM 0 HA ARG A 26 9.195 -1.222 -9.362 1.00 0.34 H new ATOM 0 HB2 ARG A 26 6.721 -0.605 -7.866 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.254 0.674 -8.939 1.00 0.39 H new ATOM 0 HG2 ARG A 26 5.664 -0.867 -10.035 1.00 0.52 H new ATOM 0 HG3 ARG A 26 7.213 -0.819 -10.854 1.00 0.52 H new ATOM 0 HD2 ARG A 26 7.844 -2.917 -9.514 1.00 0.82 H new ATOM 0 HD3 ARG A 26 6.164 -3.002 -9.022 1.00 0.82 H new ATOM 0 HE ARG A 26 7.007 -3.045 -11.906 1.00 1.21 H new ATOM 0 HH11 ARG A 26 5.044 -4.271 -9.230 1.00 2.47 H new ATOM 0 HH12 ARG A 26 4.163 -5.408 -10.255 1.00 2.47 H new ATOM 0 HH21 ARG A 26 5.859 -4.511 -13.199 1.00 2.54 H new ATOM 0 HH22 ARG A 26 4.620 -5.544 -12.479 1.00 2.54 H new ATOM 377 N ARG A 27 9.945 0.610 -6.857 1.00 0.36 N ATOM 378 CA ARG A 27 10.689 1.763 -6.374 1.00 0.44 C ATOM 379 C ARG A 27 12.162 1.629 -6.730 1.00 0.53 C ATOM 380 O ARG A 27 12.890 2.616 -6.794 1.00 0.73 O ATOM 381 CB ARG A 27 10.524 1.884 -4.858 1.00 0.52 C ATOM 382 CG ARG A 27 10.298 3.308 -4.387 1.00 0.55 C ATOM 383 CD ARG A 27 11.587 4.095 -4.223 1.00 0.70 C ATOM 384 NE ARG A 27 12.320 3.705 -3.024 1.00 0.91 N ATOM 385 CZ ARG A 27 13.648 3.723 -2.918 1.00 1.12 C ATOM 386 NH1 ARG A 27 14.405 3.999 -3.975 1.00 1.77 N ATOM 387 NH2 ARG A 27 14.217 3.458 -1.752 1.00 1.63 N ATOM 0 H ARG A 27 9.756 -0.094 -6.143 1.00 0.36 H new ATOM 0 HA ARG A 27 10.298 2.662 -6.851 1.00 0.44 H new ATOM 0 HB2 ARG A 27 9.683 1.267 -4.541 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.413 1.485 -4.370 1.00 0.52 H new ATOM 0 HG2 ARG A 27 9.654 3.822 -5.101 1.00 0.55 H new ATOM 0 HG3 ARG A 27 9.768 3.289 -3.435 1.00 0.55 H new ATOM 0 HD2 ARG A 27 12.218 3.943 -5.099 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.358 5.160 -4.177 1.00 0.70 H new ATOM 0 HE ARG A 27 11.781 3.399 -2.214 1.00 0.91 H new ATOM 0 HH11 ARG A 27 13.970 4.199 -4.876 1.00 1.77 H new ATOM 0 HH12 ARG A 27 15.421 4.011 -3.886 1.00 1.77 H new ATOM 0 HH21 ARG A 27 13.639 3.241 -0.940 1.00 1.63 H new ATOM 0 HH22 ARG A 27 15.233 3.471 -1.666 1.00 1.63 H new ATOM 401 N THR A 28 12.590 0.403 -6.972 1.00 0.45 N ATOM 402 CA THR A 28 13.985 0.131 -7.273 1.00 0.53 C ATOM 403 C THR A 28 14.138 -0.399 -8.690 1.00 0.55 C ATOM 404 O THR A 28 15.125 -0.124 -9.370 1.00 0.67 O ATOM 405 CB THR A 28 14.555 -0.893 -6.278 1.00 0.55 C ATOM 406 OG1 THR A 28 13.713 -2.055 -6.238 1.00 0.55 O ATOM 407 CG2 THR A 28 14.635 -0.295 -4.890 1.00 0.53 C ATOM 0 H THR A 28 11.990 -0.422 -6.966 1.00 0.45 H new ATOM 0 HA THR A 28 14.538 1.066 -7.185 1.00 0.53 H new ATOM 0 HB THR A 28 15.556 -1.172 -6.608 1.00 0.55 H new ATOM 0 HG1 THR A 28 12.955 -1.889 -5.639 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.041 -1.034 -4.198 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.284 0.580 -4.908 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.638 -0.001 -4.563 1.00 0.53 H new ATOM 415 N GLY A 29 13.148 -1.170 -9.115 1.00 0.47 N ATOM 416 CA GLY A 29 13.116 -1.701 -10.469 1.00 0.52 C ATOM 417 C GLY A 29 14.063 -2.869 -10.672 1.00 0.58 C ATOM 418 O GLY A 29 13.782 -3.782 -11.452 1.00 0.82 O ATOM 0 H GLY A 29 12.352 -1.443 -8.538 1.00 0.47 H new ATOM 0 HA2 GLY A 29 12.100 -2.019 -10.704 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.372 -0.907 -11.171 1.00 0.52 H new ATOM 422 N ASP A 30 15.185 -2.837 -9.973 1.00 0.53 N ATOM 423 CA ASP A 30 16.196 -3.874 -10.082 1.00 0.58 C ATOM 424 C ASP A 30 16.069 -4.852 -8.925 1.00 0.55 C ATOM 425 O ASP A 30 15.696 -6.008 -9.117 1.00 0.84 O ATOM 426 CB ASP A 30 17.596 -3.251 -10.097 1.00 0.67 C ATOM 427 CG ASP A 30 18.696 -4.290 -10.190 1.00 1.31 C ATOM 428 OD1 ASP A 30 19.166 -4.757 -9.133 1.00 2.10 O ATOM 429 OD2 ASP A 30 19.093 -4.647 -11.318 1.00 1.69 O ATOM 0 H ASP A 30 15.420 -2.093 -9.316 1.00 0.53 H new ATOM 0 HA ASP A 30 16.044 -4.414 -11.017 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.676 -2.566 -10.941 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.736 -2.659 -9.192 1.00 0.67 H new ATOM 434 N SER A 31 16.394 -4.384 -7.727 1.00 0.53 N ATOM 435 CA SER A 31 16.224 -5.176 -6.519 1.00 0.50 C ATOM 436 C SER A 31 16.061 -4.270 -5.306 1.00 0.42 C ATOM 437 O SER A 31 16.552 -3.142 -5.292 1.00 0.48 O ATOM 438 CB SER A 31 17.408 -6.104 -6.297 1.00 0.62 C ATOM 439 OG SER A 31 17.614 -6.967 -7.403 1.00 1.08 O ATOM 0 H SER A 31 16.779 -3.453 -7.567 1.00 0.53 H new ATOM 0 HA SER A 31 15.325 -5.779 -6.647 1.00 0.50 H new ATOM 0 HB2 SER A 31 18.307 -5.512 -6.125 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.241 -6.698 -5.398 1.00 0.62 H new ATOM 0 HG SER A 31 18.085 -6.482 -8.113 1.00 1.08 H new ATOM 445 N THR A 32 15.370 -4.773 -4.296 1.00 0.34 N ATOM 446 CA THR A 32 15.213 -4.055 -3.040 1.00 0.29 C ATOM 447 C THR A 32 15.817 -4.894 -1.910 1.00 0.27 C ATOM 448 O THR A 32 15.395 -4.839 -0.756 1.00 0.28 O ATOM 449 CB THR A 32 13.720 -3.724 -2.774 1.00 0.27 C ATOM 450 OG1 THR A 32 13.558 -2.934 -1.595 1.00 0.27 O ATOM 451 CG2 THR A 32 12.885 -4.985 -2.655 1.00 0.29 C ATOM 0 H THR A 32 14.906 -5.681 -4.321 1.00 0.34 H new ATOM 0 HA THR A 32 15.741 -3.103 -3.093 1.00 0.29 H new ATOM 0 HB THR A 32 13.371 -3.149 -3.632 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.682 -3.117 -1.197 1.00 0.27 H new ATOM 0 HG21 THR A 32 11.845 -4.717 -2.469 1.00 0.29 H new ATOM 0 HG22 THR A 32 12.952 -5.555 -3.582 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.257 -5.591 -1.829 1.00 0.29 H new ATOM 459 N ALA A 33 16.842 -5.659 -2.268 1.00 0.31 N ATOM 460 CA ALA A 33 17.509 -6.564 -1.341 1.00 0.32 C ATOM 461 C ALA A 33 18.498 -5.816 -0.447 1.00 0.34 C ATOM 462 O ALA A 33 19.103 -6.395 0.455 1.00 0.37 O ATOM 463 CB ALA A 33 18.215 -7.670 -2.107 1.00 0.37 C ATOM 0 H ALA A 33 17.234 -5.669 -3.210 1.00 0.31 H new ATOM 0 HA ALA A 33 16.750 -7.008 -0.696 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.710 -8.340 -1.404 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.485 -8.231 -2.691 1.00 0.37 H new ATOM 0 HB3 ALA A 33 18.957 -7.233 -2.776 1.00 0.37 H new ATOM 469 N ASP A 34 18.669 -4.536 -0.723 1.00 0.35 N ATOM 470 CA ASP A 34 19.580 -3.689 0.046 1.00 0.40 C ATOM 471 C ASP A 34 18.853 -3.079 1.238 1.00 0.36 C ATOM 472 O ASP A 34 19.455 -2.762 2.262 1.00 0.43 O ATOM 473 CB ASP A 34 20.136 -2.578 -0.850 1.00 0.49 C ATOM 474 CG ASP A 34 21.082 -1.641 -0.124 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.295 -1.936 -0.068 1.00 1.31 O ATOM 476 OD2 ASP A 34 20.610 -0.618 0.416 1.00 2.21 O ATOM 0 H ASP A 34 18.187 -4.051 -1.480 1.00 0.35 H new ATOM 0 HA ASP A 34 20.404 -4.300 0.413 1.00 0.40 H new ATOM 0 HB2 ASP A 34 20.658 -3.028 -1.694 1.00 0.49 H new ATOM 0 HB3 ASP A 34 19.307 -2.001 -1.259 1.00 0.49 H new ATOM 481 N VAL A 35 17.546 -2.950 1.100 1.00 0.31 N ATOM 482 CA VAL A 35 16.714 -2.356 2.132 1.00 0.28 C ATOM 483 C VAL A 35 16.025 -3.453 2.939 1.00 0.25 C ATOM 484 O VAL A 35 15.557 -4.445 2.381 1.00 0.25 O ATOM 485 CB VAL A 35 15.687 -1.364 1.511 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.562 -1.568 0.008 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.324 -1.478 2.170 1.00 0.26 C ATOM 0 H VAL A 35 17.032 -3.253 0.273 1.00 0.31 H new ATOM 0 HA VAL A 35 17.344 -1.782 2.811 1.00 0.28 H new ATOM 0 HB VAL A 35 16.067 -0.359 1.695 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.838 -0.861 -0.396 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.531 -1.404 -0.463 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.227 -2.585 -0.195 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.636 -0.769 1.708 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.942 -2.491 2.042 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.414 -1.256 3.233 1.00 0.26 H new ATOM 497 N THR A 36 15.986 -3.289 4.256 1.00 0.25 N ATOM 498 CA THR A 36 15.420 -4.302 5.130 1.00 0.27 C ATOM 499 C THR A 36 13.972 -3.975 5.419 1.00 0.23 C ATOM 500 O THR A 36 13.481 -2.949 4.959 1.00 0.20 O ATOM 501 CB THR A 36 16.187 -4.396 6.462 1.00 0.31 C ATOM 502 OG1 THR A 36 16.206 -3.115 7.110 1.00 0.30 O ATOM 503 CG2 THR A 36 17.611 -4.885 6.239 1.00 0.39 C ATOM 0 H THR A 36 16.340 -2.464 4.739 1.00 0.25 H new ATOM 0 HA THR A 36 15.499 -5.261 4.619 1.00 0.27 H new ATOM 0 HB THR A 36 15.674 -5.116 7.100 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.953 -2.584 6.764 1.00 0.30 H new ATOM 0 HG21 THR A 36 18.130 -4.942 7.196 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.589 -5.873 5.779 1.00 0.39 H new ATOM 0 HG23 THR A 36 18.136 -4.191 5.583 1.00 0.39 H new ATOM 511 N TYR A 37 13.280 -4.811 6.177 1.00 0.26 N ATOM 512 CA TYR A 37 11.902 -4.506 6.525 1.00 0.27 C ATOM 513 C TYR A 37 11.856 -3.226 7.357 1.00 0.23 C ATOM 514 O TYR A 37 10.898 -2.466 7.288 1.00 0.23 O ATOM 515 CB TYR A 37 11.226 -5.677 7.255 1.00 0.38 C ATOM 516 CG TYR A 37 11.519 -5.780 8.737 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.730 -6.277 9.203 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.564 -5.395 9.671 1.00 1.16 C ATOM 519 CE1 TYR A 37 12.981 -6.385 10.560 1.00 0.74 C ATOM 520 CE2 TYR A 37 10.809 -5.497 11.027 1.00 1.53 C ATOM 521 CZ TYR A 37 12.018 -5.992 11.466 1.00 1.12 C ATOM 522 OH TYR A 37 12.262 -6.098 12.816 1.00 1.50 O ATOM 0 H TYR A 37 13.640 -5.687 6.556 1.00 0.26 H new ATOM 0 HA TYR A 37 11.339 -4.348 5.605 1.00 0.27 H new ATOM 0 HB2 TYR A 37 10.148 -5.591 7.121 1.00 0.38 H new ATOM 0 HB3 TYR A 37 11.534 -6.607 6.776 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.487 -6.584 8.496 1.00 0.68 H new ATOM 0 HD2 TYR A 37 9.614 -5.010 9.331 1.00 1.16 H new ATOM 0 HE1 TYR A 37 13.926 -6.775 10.908 1.00 0.74 H new ATOM 0 HE2 TYR A 37 10.057 -5.190 11.739 1.00 1.53 H new ATOM 0 HH TYR A 37 11.482 -5.778 13.316 1.00 1.50 H new ATOM 532 N GLU A 38 12.931 -2.973 8.101 1.00 0.23 N ATOM 533 CA GLU A 38 13.039 -1.766 8.913 1.00 0.24 C ATOM 534 C GLU A 38 13.273 -0.547 8.030 1.00 0.24 C ATOM 535 O GLU A 38 12.659 0.500 8.228 1.00 0.26 O ATOM 536 CB GLU A 38 14.180 -1.896 9.919 1.00 0.29 C ATOM 537 CG GLU A 38 14.048 -3.094 10.837 1.00 0.35 C ATOM 538 CD GLU A 38 15.129 -3.135 11.892 1.00 0.67 C ATOM 539 OE1 GLU A 38 16.212 -3.696 11.621 1.00 0.96 O ATOM 540 OE2 GLU A 38 14.902 -2.610 12.998 1.00 0.93 O ATOM 0 H GLU A 38 13.741 -3.591 8.157 1.00 0.23 H new ATOM 0 HA GLU A 38 12.101 -1.639 9.454 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.124 -1.966 9.378 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.225 -0.990 10.523 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.072 -3.071 11.322 1.00 0.35 H new ATOM 0 HG3 GLU A 38 14.088 -4.008 10.245 1.00 0.35 H new ATOM 547 N ASP A 39 14.164 -0.684 7.053 1.00 0.24 N ATOM 548 CA ASP A 39 14.434 0.408 6.117 1.00 0.26 C ATOM 549 C ASP A 39 13.233 0.618 5.206 1.00 0.22 C ATOM 550 O ASP A 39 12.999 1.715 4.699 1.00 0.23 O ATOM 551 CB ASP A 39 15.678 0.125 5.267 1.00 0.31 C ATOM 552 CG ASP A 39 16.947 0.011 6.086 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.404 1.040 6.616 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.484 -1.109 6.216 1.00 0.82 O ATOM 0 H ASP A 39 14.708 -1.531 6.887 1.00 0.24 H new ATOM 0 HA ASP A 39 14.618 1.310 6.701 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.528 -0.801 4.711 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.797 0.922 4.533 1.00 0.31 H new ATOM 559 N ALA A 40 12.482 -0.452 5.005 1.00 0.19 N ATOM 560 CA ALA A 40 11.260 -0.405 4.214 1.00 0.18 C ATOM 561 C ALA A 40 10.152 0.301 4.979 1.00 0.16 C ATOM 562 O ALA A 40 9.455 1.152 4.430 1.00 0.17 O ATOM 563 CB ALA A 40 10.820 -1.806 3.822 1.00 0.18 C ATOM 0 H ALA A 40 12.699 -1.374 5.383 1.00 0.19 H new ATOM 0 HA ALA A 40 11.467 0.160 3.305 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.905 -1.748 3.232 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.603 -2.282 3.232 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.635 -2.394 4.721 1.00 0.18 H new ATOM 569 N ILE A 41 9.991 -0.052 6.252 1.00 0.16 N ATOM 570 CA ILE A 41 9.029 0.632 7.106 1.00 0.18 C ATOM 571 C ILE A 41 9.408 2.094 7.230 1.00 0.20 C ATOM 572 O ILE A 41 8.545 2.972 7.239 1.00 0.21 O ATOM 573 CB ILE A 41 8.930 -0.009 8.513 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.320 -1.409 8.420 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.103 0.868 9.449 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.281 -2.155 9.736 1.00 0.30 C ATOM 0 H ILE A 41 10.510 -0.801 6.710 1.00 0.16 H new ATOM 0 HA ILE A 41 8.049 0.538 6.638 1.00 0.18 H new ATOM 0 HB ILE A 41 9.937 -0.093 8.922 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.305 -1.326 8.031 1.00 0.24 H new ATOM 0 HG13 ILE A 41 8.890 -1.995 7.699 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.046 0.399 10.431 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.573 1.847 9.541 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.098 0.985 9.044 1.00 0.27 H new ATOM 0 HD11 ILE A 41 7.835 -3.138 9.584 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.295 -2.272 10.118 1.00 0.30 H new ATOM 0 HD13 ILE A 41 7.685 -1.593 10.455 1.00 0.30 H new ATOM 588 N LYS A 42 10.709 2.346 7.274 1.00 0.22 N ATOM 589 CA LYS A 42 11.222 3.700 7.319 1.00 0.28 C ATOM 590 C LYS A 42 10.736 4.493 6.116 1.00 0.28 C ATOM 591 O LYS A 42 10.498 5.698 6.204 1.00 0.37 O ATOM 592 CB LYS A 42 12.749 3.691 7.338 1.00 0.31 C ATOM 593 CG LYS A 42 13.356 5.081 7.278 1.00 0.85 C ATOM 594 CD LYS A 42 14.865 5.034 7.147 1.00 1.14 C ATOM 595 CE LYS A 42 15.428 6.421 6.905 1.00 1.46 C ATOM 596 NZ LYS A 42 16.907 6.408 6.806 1.00 2.32 N ATOM 0 H LYS A 42 11.429 1.623 7.279 1.00 0.22 H new ATOM 0 HA LYS A 42 10.855 4.172 8.230 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.092 3.191 8.244 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.113 3.106 6.493 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.935 5.625 6.432 1.00 0.85 H new ATOM 0 HG3 LYS A 42 13.087 5.634 8.178 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.300 4.613 8.053 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.143 4.375 6.324 1.00 1.14 H new ATOM 0 HE2 LYS A 42 15.006 6.829 5.986 1.00 1.46 H new ATOM 0 HE3 LYS A 42 15.124 7.083 7.716 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 17.252 7.375 6.641 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 17.311 6.043 7.692 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 17.197 5.797 6.016 1.00 2.32 H new ATOM 610 N GLU A 43 10.561 3.796 5.004 1.00 0.22 N ATOM 611 CA GLU A 43 10.200 4.433 3.753 1.00 0.25 C ATOM 612 C GLU A 43 8.691 4.559 3.654 1.00 0.18 C ATOM 613 O GLU A 43 8.166 5.629 3.339 1.00 0.18 O ATOM 614 CB GLU A 43 10.763 3.639 2.565 1.00 0.33 C ATOM 615 CG GLU A 43 10.265 4.121 1.211 1.00 0.34 C ATOM 616 CD GLU A 43 11.189 3.746 0.071 1.00 0.55 C ATOM 617 OE1 GLU A 43 12.373 4.137 0.110 1.00 1.02 O ATOM 618 OE2 GLU A 43 10.737 3.077 -0.880 1.00 0.94 O ATOM 0 H GLU A 43 10.665 2.783 4.946 1.00 0.22 H new ATOM 0 HA GLU A 43 10.634 5.433 3.725 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.851 3.699 2.583 1.00 0.33 H new ATOM 0 HB3 GLU A 43 10.500 2.588 2.685 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.277 3.701 1.023 1.00 0.34 H new ATOM 0 HG3 GLU A 43 10.151 5.205 1.237 1.00 0.34 H new ATOM 625 N LEU A 44 7.995 3.477 3.973 1.00 0.16 N ATOM 626 CA LEU A 44 6.544 3.463 3.888 1.00 0.15 C ATOM 627 C LEU A 44 5.952 4.494 4.845 1.00 0.14 C ATOM 628 O LEU A 44 4.968 5.157 4.522 1.00 0.16 O ATOM 629 CB LEU A 44 5.979 2.073 4.201 1.00 0.13 C ATOM 630 CG LEU A 44 4.474 1.921 3.943 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.159 2.151 2.478 1.00 0.17 C ATOM 632 CD2 LEU A 44 3.985 0.551 4.366 1.00 0.14 C ATOM 0 H LEU A 44 8.411 2.602 4.292 1.00 0.16 H new ATOM 0 HA LEU A 44 6.266 3.718 2.865 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.513 1.335 3.602 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.180 1.841 5.247 1.00 0.13 H new ATOM 0 HG LEU A 44 3.957 2.672 4.540 1.00 0.15 H new ATOM 0 HD11 LEU A 44 3.087 2.039 2.314 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.466 3.157 2.193 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.697 1.422 1.871 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.915 0.471 4.172 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.515 -0.215 3.800 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.172 0.411 5.431 1.00 0.14 H new ATOM 644 N GLN A 45 6.573 4.636 6.019 1.00 0.14 N ATOM 645 CA GLN A 45 6.112 5.596 7.021 1.00 0.14 C ATOM 646 C GLN A 45 6.244 7.031 6.531 1.00 0.17 C ATOM 647 O GLN A 45 5.452 7.887 6.906 1.00 0.27 O ATOM 648 CB GLN A 45 6.872 5.423 8.341 1.00 0.16 C ATOM 649 CG GLN A 45 6.331 4.299 9.213 1.00 0.22 C ATOM 650 CD GLN A 45 5.127 4.705 10.048 1.00 0.36 C ATOM 651 OE1 GLN A 45 4.334 5.639 9.553 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 4.908 4.178 11.139 1.00 0.44 N flip ATOM 0 H GLN A 45 7.394 4.099 6.297 1.00 0.14 H new ATOM 0 HA GLN A 45 5.055 5.392 7.193 1.00 0.14 H new ATOM 0 HB2 GLN A 45 7.922 5.229 8.123 1.00 0.16 H new ATOM 0 HB3 GLN A 45 6.830 6.358 8.900 1.00 0.16 H new ATOM 0 HG2 GLN A 45 6.055 3.457 8.578 1.00 0.22 H new ATOM 0 HG3 GLN A 45 7.123 3.951 9.877 1.00 0.22 H new ATOM 0 HE21 GLN A 45 5.539 3.460 11.494 1.00 0.44 H new ATOM 0 HE22 GLN A 45 4.096 4.460 11.688 1.00 0.44 H new ATOM 661 N LYS A 46 7.237 7.287 5.691 1.00 0.14 N ATOM 662 CA LYS A 46 7.441 8.624 5.147 1.00 0.17 C ATOM 663 C LYS A 46 6.361 8.955 4.127 1.00 0.18 C ATOM 664 O LYS A 46 5.804 10.052 4.124 1.00 0.21 O ATOM 665 CB LYS A 46 8.821 8.732 4.490 1.00 0.22 C ATOM 666 CG LYS A 46 9.981 8.699 5.471 1.00 0.27 C ATOM 667 CD LYS A 46 11.315 8.555 4.752 1.00 0.39 C ATOM 668 CE LYS A 46 12.486 8.720 5.709 1.00 0.49 C ATOM 669 NZ LYS A 46 12.588 10.113 6.221 1.00 1.31 N ATOM 0 H LYS A 46 7.911 6.591 5.372 1.00 0.14 H new ATOM 0 HA LYS A 46 7.383 9.337 5.969 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.938 7.914 3.779 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.868 9.660 3.920 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.983 9.613 6.065 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.849 7.869 6.165 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.369 7.576 4.275 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.384 9.300 3.959 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.371 8.032 6.547 1.00 0.49 H new ATOM 0 HE3 LYS A 46 13.412 8.451 5.201 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 13.522 10.255 6.657 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 12.468 10.782 5.434 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.846 10.277 6.931 1.00 1.31 H new ATOM 683 N TRP A 47 6.068 8.000 3.259 1.00 0.16 N ATOM 684 CA TRP A 47 5.063 8.201 2.231 1.00 0.19 C ATOM 685 C TRP A 47 3.659 8.227 2.823 1.00 0.19 C ATOM 686 O TRP A 47 2.858 9.087 2.467 1.00 0.22 O ATOM 687 CB TRP A 47 5.196 7.131 1.149 1.00 0.20 C ATOM 688 CG TRP A 47 6.574 7.106 0.560 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.395 6.025 0.430 1.00 0.18 C ATOM 690 CD2 TRP A 47 7.311 8.231 0.060 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.588 6.405 -0.130 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.564 7.753 -0.360 1.00 0.32 C ATOM 693 CE3 TRP A 47 7.035 9.595 -0.074 1.00 0.41 C ATOM 694 CZ2 TRP A 47 9.534 8.586 -0.902 1.00 0.43 C ATOM 695 CZ3 TRP A 47 8.001 10.421 -0.614 1.00 0.52 C ATOM 696 CH2 TRP A 47 9.239 9.915 -1.020 1.00 0.52 C ATOM 0 H TRP A 47 6.511 7.081 3.247 1.00 0.16 H new ATOM 0 HA TRP A 47 5.231 9.175 1.771 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.964 6.154 1.573 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.467 7.318 0.361 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.143 5.017 0.725 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.368 5.782 -0.341 1.00 0.24 H new ATOM 0 HE3 TRP A 47 6.082 9.996 0.240 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 10.490 8.196 -1.220 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 7.796 11.476 -0.724 1.00 0.52 H new ATOM 0 HH2 TRP A 47 9.976 10.587 -1.435 1.00 0.52 H new ATOM 707 N SER A 48 3.367 7.312 3.745 1.00 0.17 N ATOM 708 CA SER A 48 2.081 7.319 4.428 1.00 0.19 C ATOM 709 C SER A 48 1.950 8.581 5.276 1.00 0.20 C ATOM 710 O SER A 48 0.844 9.019 5.592 1.00 0.28 O ATOM 711 CB SER A 48 1.898 6.056 5.286 1.00 0.23 C ATOM 712 OG SER A 48 2.801 6.008 6.384 1.00 0.82 O ATOM 0 H SER A 48 3.998 6.564 4.032 1.00 0.17 H new ATOM 0 HA SER A 48 1.291 7.318 3.677 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.875 6.020 5.659 1.00 0.23 H new ATOM 0 HB3 SER A 48 2.042 5.173 4.663 1.00 0.23 H new ATOM 0 HG SER A 48 2.545 5.279 6.987 1.00 0.82 H new ATOM 718 N GLN A 49 3.091 9.165 5.635 1.00 0.17 N ATOM 719 CA GLN A 49 3.112 10.436 6.344 1.00 0.17 C ATOM 720 C GLN A 49 2.702 11.556 5.403 1.00 0.18 C ATOM 721 O GLN A 49 1.774 12.303 5.685 1.00 0.21 O ATOM 722 CB GLN A 49 4.506 10.732 6.897 1.00 0.19 C ATOM 723 CG GLN A 49 4.502 11.814 7.958 1.00 0.23 C ATOM 724 CD GLN A 49 5.897 12.223 8.379 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.464 11.660 9.317 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.463 13.202 7.693 1.00 0.45 N ATOM 0 H GLN A 49 4.014 8.775 5.445 1.00 0.17 H new ATOM 0 HA GLN A 49 2.411 10.372 7.176 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.926 9.819 7.318 1.00 0.19 H new ATOM 0 HB3 GLN A 49 5.159 11.035 6.079 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.970 12.687 7.579 1.00 0.23 H new ATOM 0 HG3 GLN A 49 3.953 11.460 8.830 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.960 13.642 6.923 1.00 0.45 H new ATOM 0 HE22 GLN A 49 7.403 13.517 7.934 1.00 0.45 H new ATOM 735 N ARG A 50 3.395 11.648 4.274 1.00 0.16 N ATOM 736 CA ARG A 50 3.144 12.706 3.304 1.00 0.16 C ATOM 737 C ARG A 50 1.732 12.630 2.737 1.00 0.14 C ATOM 738 O ARG A 50 1.081 13.653 2.553 1.00 0.15 O ATOM 739 CB ARG A 50 4.149 12.646 2.162 1.00 0.15 C ATOM 740 CG ARG A 50 5.565 13.003 2.562 1.00 0.19 C ATOM 741 CD ARG A 50 6.492 12.943 1.366 1.00 0.20 C ATOM 742 NE ARG A 50 7.829 13.445 1.674 1.00 0.27 N ATOM 743 CZ ARG A 50 8.700 13.848 0.750 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.374 13.803 -0.538 1.00 0.35 N ATOM 745 NH2 ARG A 50 9.894 14.299 1.112 1.00 0.42 N ATOM 0 H ARG A 50 4.137 11.001 4.008 1.00 0.16 H new ATOM 0 HA ARG A 50 3.254 13.652 3.834 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.145 11.640 1.742 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.825 13.323 1.372 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.585 14.004 2.993 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.914 12.317 3.333 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.565 11.913 1.017 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.066 13.527 0.550 1.00 0.20 H new ATOM 0 HE ARG A 50 8.112 13.489 2.653 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.456 13.460 -0.820 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.042 14.112 -1.244 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.147 14.338 2.099 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.559 14.607 0.403 1.00 0.42 H new ATOM 759 N ILE A 51 1.275 11.422 2.440 1.00 0.13 N ATOM 760 CA ILE A 51 -0.086 11.218 1.963 1.00 0.13 C ATOM 761 C ILE A 51 -1.096 11.710 3.003 1.00 0.16 C ATOM 762 O ILE A 51 -2.102 12.338 2.664 1.00 0.20 O ATOM 763 CB ILE A 51 -0.349 9.730 1.635 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.555 9.271 0.486 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.808 9.501 1.279 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.424 7.796 0.159 1.00 0.13 C ATOM 0 H ILE A 51 1.827 10.568 2.521 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.207 11.796 1.047 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.119 9.141 2.523 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.320 9.854 -0.405 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.592 9.486 0.743 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.966 8.447 1.053 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.438 9.790 2.121 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -2.069 10.102 0.408 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.094 7.545 -0.664 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.688 7.204 1.035 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.604 7.577 -0.130 1.00 0.13 H new ATOM 778 N ALA A 52 -0.802 11.447 4.269 1.00 0.16 N ATOM 779 CA ALA A 52 -1.665 11.866 5.365 1.00 0.20 C ATOM 780 C ALA A 52 -1.582 13.374 5.599 1.00 0.22 C ATOM 781 O ALA A 52 -2.599 14.029 5.834 1.00 0.27 O ATOM 782 CB ALA A 52 -1.293 11.114 6.634 1.00 0.21 C ATOM 0 H ALA A 52 0.034 10.942 4.564 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.694 11.630 5.094 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -1.943 11.433 7.449 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.414 10.043 6.471 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.256 11.327 6.892 1.00 0.21 H new ATOM 788 N SER A 53 -0.375 13.919 5.527 1.00 0.22 N ATOM 789 CA SER A 53 -0.154 15.335 5.795 1.00 0.26 C ATOM 790 C SER A 53 -0.610 16.204 4.625 1.00 0.28 C ATOM 791 O SER A 53 -1.007 17.357 4.811 1.00 0.35 O ATOM 792 CB SER A 53 1.326 15.584 6.090 1.00 0.28 C ATOM 793 OG SER A 53 2.143 15.143 5.017 1.00 0.26 O ATOM 0 H SER A 53 0.469 13.400 5.284 1.00 0.22 H new ATOM 0 HA SER A 53 -0.749 15.610 6.666 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.491 16.647 6.264 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.610 15.064 7.005 1.00 0.28 H new ATOM 0 HG SER A 53 1.580 14.750 4.318 1.00 0.26 H new ATOM 799 N GLY A 54 -0.545 15.656 3.421 1.00 0.25 N ATOM 800 CA GLY A 54 -0.988 16.387 2.254 1.00 0.28 C ATOM 801 C GLY A 54 0.168 16.851 1.395 1.00 0.26 C ATOM 802 O GLY A 54 -0.032 17.565 0.410 1.00 0.30 O ATOM 0 H GLY A 54 -0.193 14.718 3.232 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.648 15.754 1.660 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.573 17.251 2.569 1.00 0.28 H new ATOM 806 N GLU A 55 1.381 16.452 1.772 1.00 0.23 N ATOM 807 CA GLU A 55 2.576 16.798 1.009 1.00 0.23 C ATOM 808 C GLU A 55 2.484 16.227 -0.397 1.00 0.20 C ATOM 809 O GLU A 55 2.693 16.932 -1.386 1.00 0.24 O ATOM 810 CB GLU A 55 3.827 16.278 1.711 1.00 0.24 C ATOM 811 CG GLU A 55 4.086 16.954 3.041 1.00 0.42 C ATOM 812 CD GLU A 55 5.377 16.498 3.681 1.00 0.46 C ATOM 813 OE1 GLU A 55 5.349 15.496 4.423 1.00 0.65 O ATOM 814 OE2 GLU A 55 6.423 17.136 3.445 1.00 0.54 O ATOM 0 H GLU A 55 1.561 15.888 2.603 1.00 0.23 H new ATOM 0 HA GLU A 55 2.644 17.884 0.943 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.728 15.204 1.869 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.689 16.426 1.061 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.118 18.034 2.896 1.00 0.42 H new ATOM 0 HG3 GLU A 55 3.256 16.748 3.717 1.00 0.42 H new ATOM 821 N VAL A 56 2.162 14.947 -0.476 1.00 0.17 N ATOM 822 CA VAL A 56 1.895 14.301 -1.749 1.00 0.15 C ATOM 823 C VAL A 56 0.603 13.516 -1.650 1.00 0.15 C ATOM 824 O VAL A 56 0.184 13.126 -0.559 1.00 0.19 O ATOM 825 CB VAL A 56 3.037 13.360 -2.207 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.268 14.158 -2.601 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.386 12.348 -1.131 1.00 0.15 C ATOM 0 H VAL A 56 2.079 14.331 0.333 1.00 0.17 H new ATOM 0 HA VAL A 56 1.816 15.089 -2.497 1.00 0.15 H new ATOM 0 HB VAL A 56 2.682 12.814 -3.081 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.057 13.476 -2.919 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.018 14.832 -3.421 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.614 14.739 -1.746 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.191 11.704 -1.485 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.709 12.871 -0.231 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.509 11.742 -0.903 1.00 0.15 H new ATOM 837 N SER A 57 -0.041 13.313 -2.780 1.00 0.13 N ATOM 838 CA SER A 57 -1.261 12.540 -2.821 1.00 0.15 C ATOM 839 C SER A 57 -0.924 11.065 -2.942 1.00 0.15 C ATOM 840 O SER A 57 0.225 10.719 -3.243 1.00 0.18 O ATOM 841 CB SER A 57 -2.146 12.996 -3.983 1.00 0.22 C ATOM 842 OG SER A 57 -1.414 13.035 -5.196 1.00 0.97 O ATOM 0 H SER A 57 0.262 13.674 -3.684 1.00 0.13 H new ATOM 0 HA SER A 57 -1.817 12.698 -1.897 1.00 0.15 H new ATOM 0 HB2 SER A 57 -2.993 12.318 -4.087 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.553 13.984 -3.768 1.00 0.22 H new ATOM 0 HG SER A 57 -0.713 13.717 -5.133 1.00 0.97 H new ATOM 848 N PHE A 58 -1.896 10.200 -2.704 1.00 0.16 N ATOM 849 CA PHE A 58 -1.654 8.769 -2.748 1.00 0.16 C ATOM 850 C PHE A 58 -1.104 8.375 -4.116 1.00 0.18 C ATOM 851 O PHE A 58 -0.149 7.601 -4.213 1.00 0.19 O ATOM 852 CB PHE A 58 -2.938 7.999 -2.445 1.00 0.18 C ATOM 853 CG PHE A 58 -2.698 6.700 -1.730 1.00 0.17 C ATOM 854 CD1 PHE A 58 -2.088 5.640 -2.374 1.00 0.18 C ATOM 855 CD2 PHE A 58 -3.084 6.544 -0.408 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.864 4.449 -1.715 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.864 5.355 0.257 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.252 4.306 -0.398 1.00 0.22 C ATOM 0 H PHE A 58 -2.856 10.463 -2.479 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.917 8.514 -1.987 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.593 8.624 -1.838 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.463 7.800 -3.379 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.783 5.745 -3.405 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.563 7.363 0.108 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.385 3.629 -2.229 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -3.170 5.246 1.287 1.00 0.21 H new ATOM 0 HZ PHE A 58 -2.077 3.374 0.119 1.00 0.22 H new ATOM 868 N GLU A 59 -1.683 8.960 -5.163 1.00 0.20 N ATOM 869 CA GLU A 59 -1.278 8.671 -6.533 1.00 0.22 C ATOM 870 C GLU A 59 0.194 8.995 -6.764 1.00 0.24 C ATOM 871 O GLU A 59 0.928 8.188 -7.332 1.00 0.31 O ATOM 872 CB GLU A 59 -2.143 9.450 -7.529 1.00 0.27 C ATOM 873 CG GLU A 59 -3.619 9.100 -7.461 1.00 0.36 C ATOM 874 CD GLU A 59 -4.433 9.772 -8.547 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.541 9.208 -9.657 1.00 1.72 O ATOM 876 OE2 GLU A 59 -4.954 10.883 -8.304 1.00 0.96 O ATOM 0 H GLU A 59 -2.439 9.641 -5.085 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.421 7.602 -6.694 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -2.023 10.517 -7.343 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.780 9.259 -8.539 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.735 8.019 -7.542 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -4.012 9.390 -6.487 1.00 0.36 H new ATOM 883 N GLU A 60 0.624 10.171 -6.308 1.00 0.23 N ATOM 884 CA GLU A 60 2.003 10.606 -6.510 1.00 0.24 C ATOM 885 C GLU A 60 2.980 9.641 -5.857 1.00 0.23 C ATOM 886 O GLU A 60 3.985 9.263 -6.451 1.00 0.26 O ATOM 887 CB GLU A 60 2.214 12.010 -5.946 1.00 0.25 C ATOM 888 CG GLU A 60 1.364 13.068 -6.624 1.00 0.29 C ATOM 889 CD GLU A 60 1.487 14.422 -5.964 1.00 1.18 C ATOM 890 OE1 GLU A 60 0.825 14.648 -4.931 1.00 2.09 O ATOM 891 OE2 GLU A 60 2.255 15.265 -6.473 1.00 1.24 O ATOM 0 H GLU A 60 0.040 10.835 -5.799 1.00 0.23 H new ATOM 0 HA GLU A 60 2.191 10.622 -7.584 1.00 0.24 H new ATOM 0 HB2 GLU A 60 1.988 12.002 -4.880 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.265 12.280 -6.048 1.00 0.25 H new ATOM 0 HG2 GLU A 60 1.658 13.150 -7.670 1.00 0.29 H new ATOM 0 HG3 GLU A 60 0.320 12.754 -6.610 1.00 0.29 H new ATOM 898 N ALA A 61 2.674 9.236 -4.636 1.00 0.22 N ATOM 899 CA ALA A 61 3.546 8.337 -3.902 1.00 0.23 C ATOM 900 C ALA A 61 3.518 6.935 -4.501 1.00 0.22 C ATOM 901 O ALA A 61 4.563 6.354 -4.788 1.00 0.26 O ATOM 902 CB ALA A 61 3.147 8.299 -2.436 1.00 0.24 C ATOM 0 H ALA A 61 1.831 9.515 -4.134 1.00 0.22 H new ATOM 0 HA ALA A 61 4.566 8.713 -3.979 1.00 0.23 H new ATOM 0 HB1 ALA A 61 3.808 7.621 -1.896 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.227 9.300 -2.011 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.119 7.949 -2.348 1.00 0.24 H new ATOM 908 N ALA A 62 2.319 6.415 -4.719 1.00 0.20 N ATOM 909 CA ALA A 62 2.140 5.041 -5.175 1.00 0.20 C ATOM 910 C ALA A 62 2.829 4.779 -6.515 1.00 0.21 C ATOM 911 O ALA A 62 3.612 3.841 -6.633 1.00 0.24 O ATOM 912 CB ALA A 62 0.663 4.717 -5.265 1.00 0.20 C ATOM 0 H ALA A 62 1.447 6.928 -4.586 1.00 0.20 H new ATOM 0 HA ALA A 62 2.612 4.386 -4.443 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.536 3.690 -5.606 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.205 4.833 -4.283 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.184 5.395 -5.971 1.00 0.20 H new ATOM 918 N SER A 63 2.553 5.620 -7.502 1.00 0.21 N ATOM 919 CA SER A 63 3.107 5.468 -8.848 1.00 0.23 C ATOM 920 C SER A 63 4.629 5.297 -8.854 1.00 0.24 C ATOM 921 O SER A 63 5.195 4.729 -9.790 1.00 0.27 O ATOM 922 CB SER A 63 2.725 6.683 -9.689 1.00 0.26 C ATOM 923 OG SER A 63 1.316 6.807 -9.783 1.00 1.00 O ATOM 0 H SER A 63 1.939 6.428 -7.396 1.00 0.21 H new ATOM 0 HA SER A 63 2.685 4.556 -9.270 1.00 0.23 H new ATOM 0 HB2 SER A 63 3.145 7.585 -9.245 1.00 0.26 H new ATOM 0 HB3 SER A 63 3.154 6.590 -10.687 1.00 0.26 H new ATOM 0 HG SER A 63 0.993 7.410 -9.082 1.00 1.00 H new ATOM 929 N GLN A 64 5.288 5.778 -7.814 1.00 0.24 N ATOM 930 CA GLN A 64 6.734 5.688 -7.729 1.00 0.27 C ATOM 931 C GLN A 64 7.142 4.599 -6.755 1.00 0.26 C ATOM 932 O GLN A 64 8.034 3.795 -7.026 1.00 0.29 O ATOM 933 CB GLN A 64 7.302 7.021 -7.257 1.00 0.31 C ATOM 934 CG GLN A 64 6.753 8.200 -8.029 1.00 0.35 C ATOM 935 CD GLN A 64 7.248 9.535 -7.510 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.296 10.027 -7.922 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.480 10.145 -6.626 1.00 0.35 N ATOM 0 H GLN A 64 4.844 6.235 -7.017 1.00 0.24 H new ATOM 0 HA GLN A 64 7.126 5.446 -8.717 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.079 7.151 -6.198 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.387 7.003 -7.354 1.00 0.31 H new ATOM 0 HG2 GLN A 64 7.030 8.100 -9.078 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.664 8.181 -7.984 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.617 9.703 -6.309 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.750 11.058 -6.260 1.00 0.35 H new ATOM 946 N ARG A 65 6.475 4.592 -5.620 1.00 0.26 N ATOM 947 CA ARG A 65 6.873 3.755 -4.500 1.00 0.28 C ATOM 948 C ARG A 65 6.216 2.374 -4.496 1.00 0.27 C ATOM 949 O ARG A 65 6.887 1.378 -4.228 1.00 0.32 O ATOM 950 CB ARG A 65 6.581 4.500 -3.201 1.00 0.33 C ATOM 951 CG ARG A 65 7.165 5.906 -3.192 1.00 0.37 C ATOM 952 CD ARG A 65 8.631 5.894 -3.600 1.00 0.43 C ATOM 953 NE ARG A 65 9.209 7.229 -3.710 1.00 0.58 N ATOM 954 CZ ARG A 65 10.005 7.625 -4.705 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.308 6.796 -5.695 1.00 0.59 N ATOM 956 NH2 ARG A 65 10.491 8.857 -4.713 1.00 0.86 N ATOM 0 H ARG A 65 5.647 5.161 -5.445 1.00 0.26 H new ATOM 0 HA ARG A 65 7.941 3.563 -4.600 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.503 4.557 -3.053 1.00 0.33 H new ATOM 0 HB3 ARG A 65 6.988 3.935 -2.362 1.00 0.33 H new ATOM 0 HG2 ARG A 65 6.600 6.542 -3.874 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.065 6.338 -2.196 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.200 5.318 -2.870 1.00 0.43 H new ATOM 0 HD3 ARG A 65 8.731 5.382 -4.557 1.00 0.43 H new ATOM 0 HE ARG A 65 8.990 7.904 -2.978 1.00 0.58 H new ATOM 0 HH11 ARG A 65 9.932 5.848 -5.700 1.00 0.59 H new ATOM 0 HH12 ARG A 65 10.917 7.107 -6.452 1.00 0.59 H new ATOM 0 HH21 ARG A 65 10.257 9.503 -3.959 1.00 0.86 H new ATOM 0 HH22 ARG A 65 11.100 9.160 -5.473 1.00 0.86 H new ATOM 970 N SER A 66 4.924 2.304 -4.789 1.00 0.25 N ATOM 971 CA SER A 66 4.203 1.032 -4.706 1.00 0.25 C ATOM 972 C SER A 66 4.740 0.023 -5.720 1.00 0.23 C ATOM 973 O SER A 66 4.809 0.301 -6.915 1.00 0.24 O ATOM 974 CB SER A 66 2.689 1.222 -4.900 1.00 0.24 C ATOM 975 OG SER A 66 2.358 1.557 -6.235 1.00 0.82 O ATOM 0 H SER A 66 4.356 3.099 -5.083 1.00 0.25 H new ATOM 0 HA SER A 66 4.370 0.639 -3.703 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.171 0.305 -4.618 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.335 2.007 -4.232 1.00 0.24 H new ATOM 0 HG SER A 66 3.018 2.190 -6.587 1.00 0.82 H new ATOM 981 N ASP A 67 5.133 -1.142 -5.216 1.00 0.25 N ATOM 982 CA ASP A 67 5.633 -2.224 -6.052 1.00 0.28 C ATOM 983 C ASP A 67 4.499 -2.942 -6.772 1.00 0.31 C ATOM 984 O ASP A 67 4.720 -3.658 -7.741 1.00 0.48 O ATOM 985 CB ASP A 67 6.439 -3.215 -5.217 1.00 0.39 C ATOM 986 CG ASP A 67 6.876 -4.416 -6.026 1.00 1.59 C ATOM 987 OD1 ASP A 67 7.625 -4.239 -7.005 1.00 1.91 O ATOM 988 OD2 ASP A 67 6.487 -5.541 -5.669 1.00 2.28 O ATOM 0 H ASP A 67 5.114 -1.361 -4.220 1.00 0.25 H new ATOM 0 HA ASP A 67 6.285 -1.784 -6.807 1.00 0.28 H new ATOM 0 HB2 ASP A 67 7.317 -2.715 -4.808 1.00 0.39 H new ATOM 0 HB3 ASP A 67 5.839 -3.548 -4.370 1.00 0.39 H new ATOM 993 N CYS A 68 3.280 -2.733 -6.313 1.00 0.24 N ATOM 994 CA CYS A 68 2.135 -3.379 -6.926 1.00 0.26 C ATOM 995 C CYS A 68 1.758 -2.665 -8.212 1.00 0.27 C ATOM 996 O CYS A 68 2.049 -1.481 -8.394 1.00 0.38 O ATOM 997 CB CYS A 68 0.951 -3.392 -5.961 1.00 0.29 C ATOM 998 SG CYS A 68 -0.529 -4.209 -6.601 1.00 1.52 S ATOM 0 H CYS A 68 3.058 -2.126 -5.524 1.00 0.24 H new ATOM 0 HA CYS A 68 2.401 -4.409 -7.162 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.255 -3.889 -5.040 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.699 -2.364 -5.701 1.00 0.29 H new ATOM 0 HG CYS A 68 -1.083 -4.907 -5.655 1.00 1.52 H new ATOM 1004 N GLY A 69 1.099 -3.414 -9.088 1.00 0.26 N ATOM 1005 CA GLY A 69 0.770 -2.947 -10.425 1.00 0.25 C ATOM 1006 C GLY A 69 -0.042 -1.670 -10.439 1.00 0.22 C ATOM 1007 O GLY A 69 -0.107 -0.988 -11.465 1.00 0.25 O ATOM 0 H GLY A 69 0.779 -4.362 -8.889 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.693 -2.787 -10.982 1.00 0.25 H new ATOM 0 HA3 GLY A 69 0.214 -3.726 -10.946 1.00 0.25 H new ATOM 1011 N SER A 70 -0.662 -1.340 -9.308 1.00 0.21 N ATOM 1012 CA SER A 70 -1.413 -0.109 -9.178 1.00 0.24 C ATOM 1013 C SER A 70 -0.513 1.130 -9.294 1.00 0.22 C ATOM 1014 O SER A 70 -1.017 2.245 -9.354 1.00 0.25 O ATOM 1015 CB SER A 70 -2.160 -0.113 -7.846 1.00 0.31 C ATOM 1016 OG SER A 70 -1.263 -0.293 -6.761 1.00 0.32 O ATOM 0 H SER A 70 -0.654 -1.917 -8.467 1.00 0.21 H new ATOM 0 HA SER A 70 -2.128 -0.055 -9.999 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.700 0.826 -7.725 1.00 0.31 H new ATOM 0 HB3 SER A 70 -2.903 -0.910 -7.844 1.00 0.31 H new ATOM 0 HG SER A 70 -1.053 -1.245 -6.665 1.00 0.32 H new ATOM 1022 N TYR A 71 0.814 0.941 -9.334 1.00 0.20 N ATOM 1023 CA TYR A 71 1.744 2.060 -9.537 1.00 0.20 C ATOM 1024 C TYR A 71 1.430 2.780 -10.852 1.00 0.22 C ATOM 1025 O TYR A 71 1.758 3.948 -11.023 1.00 0.29 O ATOM 1026 CB TYR A 71 3.215 1.585 -9.545 1.00 0.21 C ATOM 1027 CG TYR A 71 3.646 0.875 -10.812 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.366 -0.470 -11.013 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.351 1.552 -11.800 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.775 -1.120 -12.160 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.759 0.909 -12.952 1.00 0.44 C ATOM 1032 CZ TYR A 71 4.470 -0.426 -13.126 1.00 0.43 C ATOM 1033 OH TYR A 71 4.885 -1.071 -14.269 1.00 0.54 O ATOM 0 H TYR A 71 1.264 0.032 -9.229 1.00 0.20 H new ATOM 0 HA TYR A 71 1.613 2.749 -8.702 1.00 0.20 H new ATOM 0 HB2 TYR A 71 3.862 2.449 -9.391 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.371 0.915 -8.699 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.819 -1.017 -10.259 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.584 2.598 -11.665 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.551 -2.167 -12.299 1.00 0.36 H new ATOM 0 HE2 TYR A 71 5.302 1.450 -13.713 1.00 0.44 H new ATOM 0 HH TYR A 71 5.360 -0.438 -14.847 1.00 0.54 H new ATOM 1043 N ALA A 72 0.776 2.079 -11.775 1.00 0.24 N ATOM 1044 CA ALA A 72 0.422 2.663 -13.060 1.00 0.30 C ATOM 1045 C ALA A 72 -0.960 3.306 -12.997 1.00 0.36 C ATOM 1046 O ALA A 72 -1.451 3.850 -13.982 1.00 0.49 O ATOM 1047 CB ALA A 72 0.471 1.604 -14.152 1.00 0.38 C ATOM 0 H ALA A 72 0.483 1.109 -11.655 1.00 0.24 H new ATOM 0 HA ALA A 72 1.148 3.441 -13.298 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.204 2.054 -15.108 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.478 1.192 -14.214 1.00 0.38 H new ATOM 0 HB3 ALA A 72 -0.234 0.806 -13.917 1.00 0.38 H new ATOM 1053 N SER A 73 -1.584 3.224 -11.830 1.00 0.32 N ATOM 1054 CA SER A 73 -2.898 3.811 -11.615 1.00 0.44 C ATOM 1055 C SER A 73 -2.880 4.737 -10.401 1.00 0.49 C ATOM 1056 O SER A 73 -3.929 5.119 -9.884 1.00 0.71 O ATOM 1057 CB SER A 73 -3.936 2.707 -11.416 1.00 0.47 C ATOM 1058 OG SER A 73 -3.877 1.764 -12.472 1.00 0.62 O ATOM 0 H SER A 73 -1.197 2.753 -11.012 1.00 0.32 H new ATOM 0 HA SER A 73 -3.164 4.398 -12.494 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.762 2.205 -10.464 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.933 3.144 -11.368 1.00 0.47 H new ATOM 0 HG SER A 73 -4.548 1.065 -12.324 1.00 0.62 H new ATOM 1064 N GLY A 74 -1.682 5.087 -9.945 1.00 0.41 N ATOM 1065 CA GLY A 74 -1.550 5.942 -8.778 1.00 0.54 C ATOM 1066 C GLY A 74 -1.942 5.240 -7.489 1.00 0.45 C ATOM 1067 O GLY A 74 -2.382 5.879 -6.538 1.00 0.49 O ATOM 0 H GLY A 74 -0.799 4.794 -10.363 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -0.519 6.287 -8.700 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -2.173 6.827 -8.909 1.00 0.54 H new ATOM 1071 N GLY A 75 -1.798 3.921 -7.466 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.126 3.152 -6.277 1.00 0.32 C ATOM 1073 C GLY A 75 -3.605 2.854 -6.171 1.00 0.20 C ATOM 1074 O GLY A 75 -4.017 1.948 -5.441 1.00 0.21 O ATOM 0 H GLY A 75 -1.459 3.367 -8.252 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.570 2.215 -6.289 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -1.805 3.702 -5.392 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.396 3.609 -6.916 1.00 0.35 N ATOM 1079 CA ASP A 76 -5.844 3.491 -6.878 1.00 0.39 C ATOM 1080 C ASP A 76 -6.289 2.201 -7.525 1.00 0.32 C ATOM 1081 O ASP A 76 -5.804 1.830 -8.597 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.489 4.654 -7.610 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.977 4.772 -7.342 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -8.356 5.229 -6.247 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.773 4.442 -8.243 1.00 0.80 O ATOM 0 H ASP A 76 -4.053 4.319 -7.563 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.153 3.499 -5.833 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -5.998 5.580 -7.313 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.327 4.536 -8.681 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.206 1.520 -6.877 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.773 0.311 -7.422 1.00 0.30 C ATOM 1092 C LEU A 77 -9.228 0.533 -7.794 1.00 0.32 C ATOM 1093 O LEU A 77 -9.870 1.464 -7.307 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.648 -0.826 -6.419 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.233 -1.362 -6.206 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -6.273 -2.657 -5.410 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -5.505 -1.554 -7.537 1.00 0.94 C ATOM 0 H LEU A 77 -7.577 1.787 -5.965 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.223 0.041 -8.324 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -8.037 -0.485 -5.459 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.284 -1.648 -6.747 1.00 0.32 H new ATOM 0 HG LEU A 77 -5.672 -0.624 -5.633 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -5.258 -3.027 -5.266 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -6.733 -2.473 -4.439 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -6.856 -3.400 -5.953 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -4.501 -1.936 -7.351 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -6.055 -2.265 -8.154 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -5.439 -0.598 -8.057 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.725 -0.306 -8.679 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.107 -0.217 -9.111 1.00 0.39 C ATOM 1111 C GLY A 78 -12.065 -0.882 -8.142 1.00 0.34 C ATOM 1112 O GLY A 78 -11.926 -0.743 -6.927 1.00 0.44 O ATOM 0 H GLY A 78 -9.193 -1.059 -9.115 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.381 0.832 -9.225 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.208 -0.681 -10.092 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.028 -1.616 -8.675 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.038 -2.261 -7.851 1.00 0.46 C ATOM 1118 C PHE A 79 -13.684 -3.724 -7.615 1.00 0.45 C ATOM 1119 O PHE A 79 -13.271 -4.436 -8.531 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.431 -2.132 -8.490 1.00 0.61 C ATOM 1121 CG PHE A 79 -15.510 -2.609 -9.915 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -15.222 -1.749 -10.963 1.00 1.73 C ATOM 1123 CD2 PHE A 79 -15.879 -3.914 -10.206 1.00 2.78 C ATOM 1124 CE1 PHE A 79 -15.296 -2.182 -12.273 1.00 2.78 C ATOM 1125 CE2 PHE A 79 -15.954 -4.351 -11.514 1.00 3.87 C ATOM 1126 CZ PHE A 79 -15.661 -3.485 -12.548 1.00 3.85 C ATOM 0 H PHE A 79 -13.132 -1.780 -9.676 1.00 0.47 H new ATOM 0 HA PHE A 79 -14.063 -1.756 -6.885 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -16.145 -2.697 -7.891 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -15.739 -1.087 -8.452 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -14.936 -0.729 -10.753 1.00 1.73 H new ATOM 0 HD2 PHE A 79 -16.110 -4.596 -9.401 1.00 2.78 H new ATOM 0 HE1 PHE A 79 -15.069 -1.502 -13.081 1.00 2.78 H new ATOM 0 HE2 PHE A 79 -16.242 -5.370 -11.728 1.00 3.87 H new ATOM 0 HZ PHE A 79 -15.717 -3.826 -13.571 1.00 3.85 H new ATOM 1136 N PHE A 80 -13.831 -4.161 -6.378 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.503 -5.526 -5.997 1.00 0.45 C ATOM 1138 C PHE A 80 -14.360 -5.963 -4.827 1.00 0.46 C ATOM 1139 O PHE A 80 -14.982 -5.138 -4.168 1.00 0.55 O ATOM 1140 CB PHE A 80 -12.020 -5.639 -5.629 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.481 -4.445 -4.892 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.877 -4.201 -3.590 1.00 0.89 C ATOM 1143 CD2 PHE A 80 -10.585 -3.569 -5.489 1.00 1.01 C ATOM 1144 CE1 PHE A 80 -11.394 -3.111 -2.901 1.00 1.19 C ATOM 1145 CE2 PHE A 80 -10.102 -2.474 -4.793 1.00 1.28 C ATOM 1146 CZ PHE A 80 -10.465 -2.237 -3.558 1.00 1.31 C ATOM 0 H PHE A 80 -14.179 -3.585 -5.611 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.703 -6.178 -6.847 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -11.875 -6.528 -5.015 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.440 -5.783 -6.540 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.572 -4.872 -3.108 1.00 0.89 H new ATOM 0 HD2 PHE A 80 -10.262 -3.743 -6.505 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -11.708 -2.918 -1.886 1.00 1.19 H new ATOM 0 HE2 PHE A 80 -9.411 -1.801 -5.279 1.00 1.28 H new ATOM 0 HZ PHE A 80 -10.065 -1.382 -3.033 1.00 1.31 H new ATOM 1156 N SER A 81 -14.400 -7.255 -4.577 1.00 0.50 N ATOM 1157 CA SER A 81 -15.165 -7.779 -3.468 1.00 0.55 C ATOM 1158 C SER A 81 -14.296 -7.826 -2.219 1.00 0.52 C ATOM 1159 O SER A 81 -13.247 -8.466 -2.209 1.00 0.54 O ATOM 1160 CB SER A 81 -15.691 -9.169 -3.811 1.00 0.69 C ATOM 1161 OG SER A 81 -16.331 -9.170 -5.080 1.00 1.17 O ATOM 0 H SER A 81 -13.911 -7.961 -5.128 1.00 0.50 H new ATOM 0 HA SER A 81 -16.016 -7.126 -3.275 1.00 0.55 H new ATOM 0 HB2 SER A 81 -14.868 -9.883 -3.814 1.00 0.69 H new ATOM 0 HB3 SER A 81 -16.394 -9.496 -3.045 1.00 0.69 H new ATOM 0 HG SER A 81 -16.659 -10.072 -5.280 1.00 1.17 H new ATOM 1167 N SER A 82 -14.727 -7.118 -1.187 1.00 0.59 N ATOM 1168 CA SER A 82 -14.024 -7.089 0.085 1.00 0.63 C ATOM 1169 C SER A 82 -13.828 -8.502 0.632 1.00 0.59 C ATOM 1170 O SER A 82 -14.795 -9.220 0.887 1.00 0.63 O ATOM 1171 CB SER A 82 -14.809 -6.228 1.072 1.00 0.77 C ATOM 1172 OG SER A 82 -16.200 -6.470 0.945 1.00 1.19 O ATOM 0 H SER A 82 -15.573 -6.548 -1.208 1.00 0.59 H new ATOM 0 HA SER A 82 -13.035 -6.656 -0.062 1.00 0.63 H new ATOM 0 HB2 SER A 82 -14.487 -6.447 2.090 1.00 0.77 H new ATOM 0 HB3 SER A 82 -14.599 -5.174 0.891 1.00 0.77 H new ATOM 0 HG SER A 82 -16.360 -7.435 0.887 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.575 -8.891 0.797 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.258 -10.232 1.240 1.00 0.62 C ATOM 1180 C GLY A 83 -11.531 -11.013 0.169 1.00 0.64 C ATOM 1181 O GLY A 83 -11.267 -12.205 0.324 1.00 0.79 O ATOM 0 H GLY A 83 -11.764 -8.296 0.630 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.642 -10.183 2.138 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -13.176 -10.753 1.512 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.200 -10.333 -0.917 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.537 -10.967 -2.047 1.00 0.62 C ATOM 1187 C GLU A 84 -9.056 -10.587 -2.091 1.00 0.58 C ATOM 1188 O GLU A 84 -8.290 -11.123 -2.894 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.229 -10.551 -3.350 1.00 0.73 C ATOM 1190 CG GLU A 84 -10.783 -11.335 -4.574 1.00 1.17 C ATOM 1191 CD GLU A 84 -11.324 -10.750 -5.862 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -12.476 -11.072 -6.226 1.00 1.43 O ATOM 1193 OE2 GLU A 84 -10.603 -9.971 -6.519 1.00 1.55 O ATOM 0 H GLU A 84 -11.380 -9.337 -1.041 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.606 -12.049 -1.931 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -12.306 -10.670 -3.230 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -11.043 -9.491 -3.524 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -9.694 -11.351 -4.615 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -11.114 -12.369 -4.480 1.00 1.17 H new ATOM 1200 N MET A 85 -8.640 -9.676 -1.216 1.00 0.47 N ATOM 1201 CA MET A 85 -7.269 -9.182 -1.251 1.00 0.44 C ATOM 1202 C MET A 85 -6.346 -10.088 -0.451 1.00 0.47 C ATOM 1203 O MET A 85 -5.883 -11.120 -0.939 1.00 0.73 O ATOM 1204 CB MET A 85 -7.190 -7.753 -0.707 1.00 0.39 C ATOM 1205 CG MET A 85 -7.858 -6.715 -1.584 1.00 0.37 C ATOM 1206 SD MET A 85 -7.039 -6.529 -3.179 1.00 0.39 S ATOM 1207 CE MET A 85 -8.080 -5.289 -3.939 1.00 0.39 C ATOM 0 H MET A 85 -9.223 -9.270 -0.484 1.00 0.47 H new ATOM 0 HA MET A 85 -6.945 -9.180 -2.292 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.649 -7.727 0.281 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.142 -7.483 -0.578 1.00 0.39 H new ATOM 0 HG2 MET A 85 -8.899 -6.995 -1.744 1.00 0.37 H new ATOM 0 HG3 MET A 85 -7.862 -5.755 -1.067 1.00 0.37 H new ATOM 0 HE1 MET A 85 -7.931 -5.301 -5.019 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.125 -5.503 -3.714 1.00 0.39 H new ATOM 0 HE3 MET A 85 -7.819 -4.306 -3.548 1.00 0.39 H new ATOM 1217 N MET A 86 -6.090 -9.688 0.782 1.00 0.33 N ATOM 1218 CA MET A 86 -5.299 -10.465 1.720 1.00 0.35 C ATOM 1219 C MET A 86 -5.885 -10.240 3.090 1.00 0.40 C ATOM 1220 O MET A 86 -6.447 -9.177 3.328 1.00 0.76 O ATOM 1221 CB MET A 86 -3.830 -10.028 1.719 1.00 0.33 C ATOM 1222 CG MET A 86 -3.145 -10.139 0.369 1.00 0.43 C ATOM 1223 SD MET A 86 -1.481 -9.452 0.374 1.00 1.16 S ATOM 1224 CE MET A 86 -0.945 -9.880 -1.278 1.00 1.39 C ATOM 0 H MET A 86 -6.429 -8.805 1.164 1.00 0.33 H new ATOM 0 HA MET A 86 -5.326 -11.517 1.435 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.771 -8.994 2.059 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.283 -10.633 2.442 1.00 0.33 H new ATOM 0 HG2 MET A 86 -3.100 -11.188 0.075 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.744 -9.623 -0.381 1.00 0.43 H new ATOM 0 HE1 MET A 86 0.073 -9.522 -1.434 1.00 1.39 H new ATOM 0 HE2 MET A 86 -0.972 -10.963 -1.400 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.609 -9.416 -2.008 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.770 -11.203 3.982 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.417 -11.093 5.281 1.00 0.32 C ATOM 1236 C LYS A 87 -6.001 -9.811 6.030 1.00 0.27 C ATOM 1237 O LYS A 87 -6.872 -9.039 6.427 1.00 0.27 O ATOM 1238 CB LYS A 87 -6.154 -12.335 6.141 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.895 -12.314 7.468 1.00 0.97 C ATOM 1240 CD LYS A 87 -6.645 -13.574 8.275 1.00 1.46 C ATOM 1241 CE LYS A 87 -7.393 -13.534 9.599 1.00 2.00 C ATOM 1242 NZ LYS A 87 -7.153 -14.755 10.413 1.00 2.37 N ATOM 0 H LYS A 87 -5.241 -12.063 3.837 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.489 -11.028 5.095 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -6.447 -13.224 5.583 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -5.084 -12.417 6.331 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -6.581 -11.445 8.046 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -7.964 -12.206 7.285 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -6.961 -14.445 7.702 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -5.577 -13.685 8.461 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -7.083 -12.655 10.164 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -8.461 -13.430 9.409 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -7.681 -14.686 11.306 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -7.473 -15.592 9.885 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -6.137 -14.842 10.617 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.685 -9.527 6.205 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.250 -8.349 6.964 1.00 0.25 C ATOM 1258 C PRO A 88 -4.461 -7.056 6.179 1.00 0.22 C ATOM 1259 O PRO A 88 -4.722 -5.999 6.755 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.762 -8.605 7.203 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.334 -9.469 6.069 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.534 -10.291 5.673 1.00 0.27 C ATOM 0 HA PRO A 88 -4.817 -8.219 7.885 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.199 -7.672 7.223 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.595 -9.099 8.160 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -1.986 -8.864 5.232 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.505 -10.112 6.364 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.598 -10.407 4.591 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.489 -11.293 6.099 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.353 -7.161 4.861 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.588 -6.036 3.965 1.00 0.17 C ATOM 1272 C PHE A 89 -6.053 -5.625 4.039 1.00 0.18 C ATOM 1273 O PHE A 89 -6.373 -4.485 4.359 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.219 -6.457 2.532 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.413 -5.408 1.466 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.669 -5.158 0.936 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.331 -4.699 0.967 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -5.846 -4.218 -0.062 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.502 -3.761 -0.037 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.762 -3.520 -0.551 1.00 0.19 C ATOM 0 H PHE A 89 -4.101 -8.026 4.384 1.00 0.19 H new ATOM 0 HA PHE A 89 -3.973 -5.185 4.259 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.174 -6.767 2.523 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -4.813 -7.331 2.267 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.522 -5.706 1.308 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.344 -4.880 1.366 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.833 -4.030 -0.459 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.650 -3.217 -0.419 1.00 0.20 H new ATOM 0 HZ PHE A 89 -4.897 -2.787 -1.333 1.00 0.19 H new ATOM 1290 N GLU A 90 -6.927 -6.590 3.784 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.368 -6.373 3.765 1.00 0.24 C ATOM 1292 C GLU A 90 -8.866 -5.980 5.151 1.00 0.25 C ATOM 1293 O GLU A 90 -9.805 -5.195 5.289 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.063 -7.653 3.310 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.470 -7.444 2.795 1.00 0.34 C ATOM 1296 CD GLU A 90 -10.505 -6.702 1.479 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -10.387 -7.368 0.425 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -10.679 -5.469 1.495 1.00 1.78 O ATOM 0 H GLU A 90 -6.654 -7.552 3.583 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.597 -5.563 3.072 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.466 -8.118 2.526 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.094 -8.353 4.145 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.956 -8.412 2.675 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -11.045 -6.889 3.536 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.237 -6.547 6.174 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.545 -6.202 7.558 1.00 0.29 C ATOM 1307 C ASP A 91 -8.366 -4.707 7.788 1.00 0.25 C ATOM 1308 O ASP A 91 -9.135 -4.086 8.517 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.649 -6.989 8.518 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.851 -6.600 9.969 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.778 -7.139 10.610 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -7.091 -5.747 10.476 1.00 0.54 O ATOM 0 H ASP A 91 -7.507 -7.251 6.071 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.585 -6.465 7.752 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.849 -8.054 8.402 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.606 -6.829 8.246 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.364 -4.132 7.141 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.112 -2.707 7.250 1.00 0.19 C ATOM 1319 C ALA A 92 -8.069 -1.914 6.366 1.00 0.18 C ATOM 1320 O ALA A 92 -8.412 -0.779 6.682 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.669 -2.392 6.891 1.00 0.22 C ATOM 0 H ALA A 92 -6.713 -4.632 6.535 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.284 -2.411 8.285 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.498 -1.319 6.978 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.001 -2.922 7.570 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.471 -2.709 5.867 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.525 -2.527 5.276 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.405 -1.844 4.330 1.00 0.19 C ATOM 1329 C VAL A 93 -10.786 -1.654 4.942 1.00 0.19 C ATOM 1330 O VAL A 93 -11.443 -0.638 4.730 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.551 -2.618 2.997 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.270 -1.770 1.968 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.198 -3.061 2.464 1.00 0.21 C ATOM 0 H VAL A 93 -8.301 -3.490 5.026 1.00 0.18 H new ATOM 0 HA VAL A 93 -8.947 -0.879 4.114 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.144 -3.511 3.193 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.364 -2.329 1.037 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.262 -1.512 2.338 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.702 -0.858 1.787 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.335 -3.602 1.527 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.571 -2.186 2.290 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.716 -3.713 3.192 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.218 -2.640 5.713 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.511 -2.574 6.375 1.00 0.27 C ATOM 1345 C ARG A 94 -12.407 -1.771 7.670 1.00 0.25 C ATOM 1346 O ARG A 94 -13.414 -1.443 8.298 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.049 -3.993 6.639 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.184 -4.851 7.558 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.426 -4.531 9.025 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.484 -5.211 9.910 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.549 -5.166 11.238 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -12.542 -4.517 11.834 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -10.627 -5.777 11.970 1.00 1.70 N ATOM 0 H ARG A 94 -10.692 -3.495 5.895 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.217 -2.062 5.720 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.045 -3.912 7.074 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.159 -4.507 5.684 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -12.396 -5.905 7.376 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -11.132 -4.691 7.320 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -12.348 -3.454 9.176 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -13.443 -4.818 9.293 1.00 1.03 H new ATOM 0 HE ARG A 94 -10.732 -5.753 9.485 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -13.256 -4.052 11.274 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -12.591 -4.483 12.852 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -9.867 -6.282 11.515 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -10.678 -5.742 12.988 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.180 -1.452 8.059 1.00 0.23 N ATOM 1368 CA ALA A 95 -10.933 -0.738 9.302 1.00 0.25 C ATOM 1369 C ALA A 95 -11.008 0.769 9.089 1.00 0.26 C ATOM 1370 O ALA A 95 -10.881 1.549 10.032 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.582 -1.134 9.876 1.00 0.26 C ATOM 0 H ALA A 95 -10.338 -1.678 7.529 1.00 0.23 H new ATOM 0 HA ALA A 95 -11.709 -1.013 10.017 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.409 -0.593 10.806 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -9.570 -2.206 10.072 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -8.797 -0.888 9.161 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.221 1.167 7.845 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.340 2.572 7.491 1.00 0.19 C ATOM 1379 C LEU A 96 -12.503 2.782 6.537 1.00 0.21 C ATOM 1380 O LEU A 96 -12.899 1.868 5.810 1.00 0.28 O ATOM 1381 CB LEU A 96 -10.032 3.078 6.866 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.271 2.076 6.000 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.817 2.061 4.587 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.796 2.402 5.990 1.00 0.28 C ATOM 0 H LEU A 96 -11.316 0.528 7.055 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.533 3.144 8.399 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.258 3.954 6.259 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.373 3.408 7.669 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.407 1.083 6.429 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.259 1.340 3.989 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -10.870 1.779 4.607 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.715 3.053 4.147 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.268 1.679 5.369 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.648 3.404 5.587 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.407 2.359 7.007 1.00 0.28 H new ATOM 1396 N LYS A 97 -13.072 3.973 6.562 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.141 4.306 5.645 1.00 0.31 C ATOM 1398 C LYS A 97 -13.598 5.186 4.522 1.00 0.28 C ATOM 1399 O LYS A 97 -12.390 5.406 4.433 1.00 0.25 O ATOM 1400 CB LYS A 97 -15.300 4.994 6.369 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.654 4.723 5.730 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.742 5.589 6.324 1.00 0.97 C ATOM 1403 CE LYS A 97 -19.032 5.457 5.536 1.00 1.02 C ATOM 1404 NZ LYS A 97 -20.090 6.370 6.043 1.00 1.61 N ATOM 0 H LYS A 97 -12.812 4.721 7.205 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.531 3.384 5.215 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.322 4.659 7.406 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -15.122 6.069 6.385 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.592 4.904 4.657 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -16.914 3.673 5.862 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -17.914 5.302 7.361 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.420 6.630 6.330 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -18.839 5.674 4.485 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -19.386 4.427 5.589 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -20.954 6.248 5.477 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -20.293 6.147 7.038 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -19.764 7.355 5.969 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.486 5.669 3.672 1.00 0.32 N ATOM 1419 CA ILE A 98 -14.108 6.458 2.510 1.00 0.32 C ATOM 1420 C ILE A 98 -13.307 7.700 2.906 1.00 0.32 C ATOM 1421 O ILE A 98 -13.810 8.587 3.597 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.364 6.880 1.721 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -16.252 5.651 1.477 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.975 7.551 0.411 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -17.400 5.888 0.522 1.00 0.90 C ATOM 0 H ILE A 98 -15.491 5.526 3.767 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.474 5.833 1.881 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.929 7.607 2.304 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.633 4.843 1.088 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.654 5.313 2.432 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.875 7.841 -0.131 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -14.376 8.437 0.620 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -14.395 6.856 -0.196 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.974 4.969 0.408 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -18.046 6.672 0.917 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -17.009 6.194 -0.448 1.00 0.90 H new ATOM 1437 N GLY A 99 -12.058 7.750 2.469 1.00 0.30 N ATOM 1438 CA GLY A 99 -11.211 8.886 2.771 1.00 0.32 C ATOM 1439 C GLY A 99 -10.283 8.645 3.947 1.00 0.32 C ATOM 1440 O GLY A 99 -9.559 9.552 4.367 1.00 0.46 O ATOM 0 H GLY A 99 -11.614 7.022 1.909 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.616 9.131 1.891 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.838 9.752 2.983 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.297 7.437 4.492 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.420 7.108 5.606 1.00 0.19 C ATOM 1446 C ASP A 100 -8.261 6.243 5.143 1.00 0.15 C ATOM 1447 O ASP A 100 -8.429 5.375 4.285 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.185 6.403 6.726 1.00 0.22 C ATOM 1449 CG ASP A 100 -11.040 7.349 7.544 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.508 7.989 8.471 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.251 7.469 7.252 1.00 0.37 O ATOM 0 H ASP A 100 -10.900 6.674 4.184 1.00 0.21 H new ATOM 0 HA ASP A 100 -9.025 8.045 5.999 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.820 5.629 6.294 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.475 5.902 7.384 1.00 0.22 H new ATOM 1456 N ILE A 101 -7.089 6.498 5.709 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.878 5.770 5.356 1.00 0.16 C ATOM 1458 C ILE A 101 -5.435 4.905 6.533 1.00 0.16 C ATOM 1459 O ILE A 101 -5.622 5.278 7.695 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.729 6.736 4.993 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.247 7.915 4.165 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.637 5.995 4.230 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -4.206 8.986 3.913 1.00 0.21 C ATOM 0 H ILE A 101 -6.951 7.213 6.423 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.104 5.148 4.490 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.309 7.128 5.919 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.612 7.543 3.208 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -6.098 8.362 4.678 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.833 6.688 3.980 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.243 5.190 4.850 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -4.053 5.577 3.313 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.646 9.788 3.321 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.858 9.387 4.865 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.364 8.555 3.372 1.00 0.21 H new ATOM 1475 N SER A 102 -4.857 3.756 6.232 1.00 0.16 N ATOM 1476 CA SER A 102 -4.394 2.838 7.256 1.00 0.19 C ATOM 1477 C SER A 102 -2.927 3.092 7.568 1.00 0.18 C ATOM 1478 O SER A 102 -2.192 3.637 6.737 1.00 0.22 O ATOM 1479 CB SER A 102 -4.572 1.392 6.783 1.00 0.25 C ATOM 1480 OG SER A 102 -3.736 1.110 5.672 1.00 0.92 O ATOM 0 H SER A 102 -4.696 3.435 5.277 1.00 0.16 H new ATOM 0 HA SER A 102 -4.984 2.999 8.158 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.340 0.708 7.599 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.613 1.221 6.511 1.00 0.25 H new ATOM 0 HG SER A 102 -3.124 0.380 5.900 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.483 2.722 8.775 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.067 2.746 9.121 1.00 0.23 C ATOM 1488 C PRO A 103 -0.317 1.594 8.453 1.00 0.20 C ATOM 1489 O PRO A 103 -0.929 0.763 7.779 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.071 2.586 10.640 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.325 1.842 10.938 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.324 2.273 9.901 1.00 0.28 C ATOM 0 HA PRO A 103 -0.565 3.655 8.789 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.194 2.037 10.983 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.057 3.554 11.140 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.159 0.766 10.895 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.683 2.069 11.942 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -3.979 1.452 9.610 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -3.963 3.076 10.269 1.00 0.28 H new ATOM 1500 N ILE A 104 1.001 1.571 8.625 1.00 0.17 N ATOM 1501 CA ILE A 104 1.845 0.503 8.082 1.00 0.15 C ATOM 1502 C ILE A 104 1.297 -0.889 8.410 1.00 0.14 C ATOM 1503 O ILE A 104 1.343 -1.330 9.560 1.00 0.20 O ATOM 1504 CB ILE A 104 3.284 0.593 8.636 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.797 2.034 8.583 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.213 -0.334 7.861 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.756 2.650 7.203 1.00 0.17 C ATOM 0 H ILE A 104 1.515 2.285 9.141 1.00 0.17 H new ATOM 0 HA ILE A 104 1.847 0.643 7.001 1.00 0.15 H new ATOM 0 HB ILE A 104 3.269 0.275 9.678 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.202 2.646 9.261 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.823 2.057 8.950 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.223 -0.258 8.265 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.862 -1.362 7.954 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.220 -0.046 6.810 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.135 3.671 7.249 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.375 2.063 6.524 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.728 2.661 6.840 1.00 0.17 H new ATOM 1519 N VAL A 105 0.776 -1.570 7.400 1.00 0.13 N ATOM 1520 CA VAL A 105 0.307 -2.939 7.553 1.00 0.15 C ATOM 1521 C VAL A 105 1.149 -3.883 6.693 1.00 0.15 C ATOM 1522 O VAL A 105 1.232 -3.724 5.474 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.203 -3.072 7.204 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.529 -2.390 5.886 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.635 -4.531 7.156 1.00 1.04 C ATOM 0 H VAL A 105 0.667 -1.193 6.459 1.00 0.13 H new ATOM 0 HA VAL A 105 0.422 -3.219 8.600 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.759 -2.573 7.998 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.592 -2.502 5.672 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.282 -1.331 5.954 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.948 -2.848 5.086 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.695 -4.589 6.910 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -1.057 -5.057 6.396 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.463 -4.994 8.128 1.00 1.04 H new ATOM 1535 N GLN A 106 1.801 -4.846 7.334 1.00 0.18 N ATOM 1536 CA GLN A 106 2.647 -5.791 6.620 1.00 0.20 C ATOM 1537 C GLN A 106 1.828 -6.959 6.084 1.00 0.23 C ATOM 1538 O GLN A 106 0.785 -7.313 6.637 1.00 0.29 O ATOM 1539 CB GLN A 106 3.764 -6.320 7.521 1.00 0.24 C ATOM 1540 CG GLN A 106 4.759 -5.261 7.961 1.00 0.25 C ATOM 1541 CD GLN A 106 5.958 -5.860 8.671 1.00 0.30 C ATOM 1542 OE1 GLN A 106 5.965 -5.999 9.893 1.00 0.55 O ATOM 1543 NE2 GLN A 106 6.977 -6.231 7.906 1.00 0.28 N ATOM 0 H GLN A 106 1.760 -4.992 8.343 1.00 0.18 H new ATOM 0 HA GLN A 106 3.094 -5.257 5.781 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.318 -6.774 8.406 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.299 -7.109 6.993 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.098 -4.699 7.090 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.263 -4.552 8.624 1.00 0.25 H new ATOM 0 HE21 GLN A 106 6.931 -6.098 6.896 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.806 -6.649 8.328 1.00 0.28 H new ATOM 1552 N THR A 107 2.312 -7.542 5.002 1.00 0.22 N ATOM 1553 CA THR A 107 1.663 -8.670 4.359 1.00 0.27 C ATOM 1554 C THR A 107 2.645 -9.825 4.204 1.00 0.34 C ATOM 1555 O THR A 107 3.762 -9.756 4.724 1.00 0.37 O ATOM 1556 CB THR A 107 1.116 -8.268 2.978 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.067 -7.427 2.307 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.217 -7.545 3.112 1.00 0.27 C ATOM 0 H THR A 107 3.172 -7.244 4.542 1.00 0.22 H new ATOM 0 HA THR A 107 0.831 -8.987 4.988 1.00 0.27 H new ATOM 0 HB THR A 107 0.955 -9.173 2.392 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.622 -6.608 2.003 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.583 -7.271 2.123 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.939 -8.201 3.598 1.00 0.27 H new ATOM 0 HG23 THR A 107 -0.084 -6.645 3.712 1.00 0.27 H new ATOM 1566 N ASP A 108 2.238 -10.871 3.495 1.00 0.40 N ATOM 1567 CA ASP A 108 3.097 -12.036 3.286 1.00 0.49 C ATOM 1568 C ASP A 108 4.374 -11.638 2.550 1.00 0.45 C ATOM 1569 O ASP A 108 5.461 -12.132 2.858 1.00 0.53 O ATOM 1570 CB ASP A 108 2.358 -13.132 2.504 1.00 0.60 C ATOM 1571 CG ASP A 108 2.153 -12.788 1.039 1.00 1.37 C ATOM 1572 OD1 ASP A 108 1.336 -11.893 0.739 1.00 1.67 O ATOM 1573 OD2 ASP A 108 2.808 -13.413 0.177 1.00 2.16 O ATOM 0 H ASP A 108 1.320 -10.939 3.055 1.00 0.40 H new ATOM 0 HA ASP A 108 3.365 -12.433 4.265 1.00 0.49 H new ATOM 0 HB2 ASP A 108 2.920 -14.063 2.577 1.00 0.60 H new ATOM 0 HB3 ASP A 108 1.388 -13.309 2.968 1.00 0.60 H new ATOM 1578 N SER A 109 4.246 -10.731 1.592 1.00 0.39 N ATOM 1579 CA SER A 109 5.396 -10.287 0.830 1.00 0.43 C ATOM 1580 C SER A 109 6.039 -9.071 1.485 1.00 0.53 C ATOM 1581 O SER A 109 7.179 -9.147 1.927 1.00 1.09 O ATOM 1582 CB SER A 109 4.981 -9.961 -0.607 1.00 0.47 C ATOM 1583 OG SER A 109 6.109 -9.737 -1.435 1.00 0.60 O ATOM 0 H SER A 109 3.363 -10.293 1.328 1.00 0.39 H new ATOM 0 HA SER A 109 6.130 -11.092 0.811 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.389 -10.782 -1.011 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.344 -9.077 -0.611 1.00 0.47 H new ATOM 0 HG SER A 109 6.845 -10.318 -1.150 1.00 0.60 H new ATOM 1589 N GLY A 110 5.306 -7.970 1.621 1.00 0.22 N ATOM 1590 CA GLY A 110 5.931 -6.770 2.116 1.00 0.19 C ATOM 1591 C GLY A 110 4.998 -5.857 2.873 1.00 0.16 C ATOM 1592 O GLY A 110 4.247 -6.289 3.740 1.00 0.24 O ATOM 0 H GLY A 110 4.313 -7.892 1.401 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.759 -7.047 2.768 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.356 -6.221 1.276 1.00 0.19 H new ATOM 1596 N LEU A 111 5.030 -4.593 2.505 1.00 0.12 N ATOM 1597 CA LEU A 111 4.398 -3.530 3.280 1.00 0.11 C ATOM 1598 C LEU A 111 3.270 -2.864 2.511 1.00 0.11 C ATOM 1599 O LEU A 111 3.338 -2.732 1.291 1.00 0.13 O ATOM 1600 CB LEU A 111 5.445 -2.483 3.640 1.00 0.12 C ATOM 1601 CG LEU A 111 6.078 -2.614 5.023 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.653 -4.005 5.239 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.158 -1.563 5.184 1.00 0.19 C ATOM 0 H LEU A 111 5.495 -4.266 1.658 1.00 0.12 H new ATOM 0 HA LEU A 111 3.974 -3.976 4.180 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.239 -2.521 2.894 1.00 0.12 H new ATOM 0 HB3 LEU A 111 4.985 -1.498 3.565 1.00 0.12 H new ATOM 0 HG LEU A 111 5.305 -2.459 5.775 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.096 -4.065 6.233 1.00 0.15 H new ATOM 0 HD12 LEU A 111 5.858 -4.745 5.151 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.418 -4.203 4.488 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.611 -1.655 6.171 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.922 -1.706 4.419 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.719 -0.571 5.077 1.00 0.19 H new ATOM 1615 N HIS A 112 2.237 -2.441 3.227 1.00 0.11 N ATOM 1616 CA HIS A 112 1.113 -1.758 2.606 1.00 0.12 C ATOM 1617 C HIS A 112 0.569 -0.628 3.466 1.00 0.14 C ATOM 1618 O HIS A 112 0.672 -0.652 4.691 1.00 0.22 O ATOM 1619 CB HIS A 112 -0.035 -2.731 2.331 1.00 0.14 C ATOM 1620 CG HIS A 112 0.215 -3.677 1.208 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.738 -4.919 1.201 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 -0.123 -3.394 -0.096 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.700 -5.366 -0.094 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.177 -4.429 -0.857 1.00 0.21 N flip ATOM 0 H HIS A 112 2.155 -2.559 4.237 1.00 0.11 H new ATOM 0 HA HIS A 112 1.497 -1.342 1.674 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.233 -3.305 3.236 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.936 -2.158 2.113 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.564 -2.471 -0.441 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.044 -6.332 -0.434 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.029 -4.493 -1.864 1.00 0.21 H new ATOM 1633 N ILE A 113 0.034 0.375 2.791 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.904 1.314 3.380 1.00 0.13 C ATOM 1635 C ILE A 113 -2.074 1.452 2.420 1.00 0.12 C ATOM 1636 O ILE A 113 -1.871 1.480 1.201 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.284 2.702 3.638 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.489 3.167 2.407 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.618 2.662 4.862 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.500 4.662 2.223 1.00 0.17 C ATOM 0 H ILE A 113 0.241 0.562 1.810 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.215 0.930 4.351 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.085 3.416 3.832 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.517 2.812 2.480 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.054 2.705 1.521 1.00 0.15 H new ATOM 0 HG21 ILE A 113 1.047 3.650 5.030 1.00 0.15 H new ATOM 0 HG22 ILE A 113 0.035 2.367 5.734 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.419 1.941 4.700 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.068 4.914 1.328 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.523 5.023 2.117 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.963 5.132 3.091 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.287 1.485 2.938 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.459 1.527 2.082 1.00 0.11 C ATOM 1654 C ILE A 114 -5.396 2.650 2.509 1.00 0.11 C ATOM 1655 O ILE A 114 -5.491 2.968 3.690 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.247 0.188 2.099 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.313 -1.030 2.077 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.192 0.124 0.911 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.992 -1.585 3.452 1.00 0.18 C ATOM 0 H ILE A 114 -3.487 1.484 3.938 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.097 1.704 1.069 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.815 0.158 3.029 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.771 -1.816 1.477 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.382 -0.753 1.582 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.740 -0.818 0.932 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.896 0.954 0.961 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.619 0.190 -0.014 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.328 -2.443 3.352 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.503 -0.816 4.050 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.914 -1.895 3.943 1.00 0.18 H new ATOM 1671 N LYS A 115 -6.063 3.265 1.542 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.118 4.220 1.838 1.00 0.14 C ATOM 1673 C LYS A 115 -8.378 3.808 1.087 1.00 0.15 C ATOM 1674 O LYS A 115 -8.309 3.370 -0.063 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.709 5.657 1.460 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.870 5.989 -0.017 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.601 7.459 -0.297 1.00 0.24 C ATOM 1678 CE LYS A 115 -7.172 7.889 -1.643 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.996 9.345 -1.889 1.00 0.61 N ATOM 0 H LYS A 115 -5.891 3.119 0.547 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.305 4.214 2.912 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.306 6.357 2.044 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.668 5.812 1.743 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.186 5.376 -0.604 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.880 5.737 -0.338 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -7.039 8.067 0.495 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.527 7.642 -0.282 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.684 7.326 -2.439 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -8.233 7.641 -1.681 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -7.399 9.592 -2.815 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -7.483 9.884 -1.145 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.983 9.579 -1.879 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.524 3.916 1.737 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.777 3.508 1.118 1.00 0.17 C ATOM 1695 C ARG A 116 -11.335 4.619 0.241 1.00 0.19 C ATOM 1696 O ARG A 116 -11.518 5.752 0.687 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.786 3.093 2.188 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.158 2.698 1.665 1.00 0.28 C ATOM 1699 CD ARG A 116 -13.954 1.985 2.744 1.00 0.49 C ATOM 1700 NE ARG A 116 -15.376 1.870 2.420 1.00 0.79 N ATOM 1701 CZ ARG A 116 -16.302 1.494 3.301 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -15.947 1.173 4.542 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -17.578 1.433 2.942 1.00 1.87 N ATOM 0 H ARG A 116 -9.615 4.280 2.686 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.583 2.647 0.478 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.373 2.254 2.748 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.906 3.918 2.891 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.697 3.586 1.334 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -13.049 2.049 0.796 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -13.539 0.988 2.896 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -13.843 2.523 3.685 1.00 0.49 H new ATOM 0 HE ARG A 116 -15.674 2.089 1.470 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -14.966 1.215 4.819 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -16.656 0.885 5.217 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -17.852 1.674 1.990 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -18.285 1.145 3.618 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.587 4.282 -1.013 1.00 0.22 N ATOM 1718 CA LEU A 117 -12.105 5.228 -1.988 1.00 0.27 C ATOM 1719 C LEU A 117 -13.620 5.161 -2.031 1.00 0.29 C ATOM 1720 O LEU A 117 -14.291 6.156 -2.295 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.542 4.915 -3.379 1.00 0.32 C ATOM 1722 CG LEU A 117 -10.174 5.513 -3.710 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -10.266 7.017 -3.860 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.151 5.152 -2.652 1.00 0.80 C ATOM 0 H LEU A 117 -11.438 3.344 -1.384 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.798 6.231 -1.692 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.476 3.832 -3.485 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.257 5.265 -4.124 1.00 0.32 H new ATOM 0 HG LEU A 117 -9.848 5.089 -4.660 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -9.281 7.420 -4.095 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -10.959 7.261 -4.665 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.624 7.454 -2.928 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.188 5.590 -2.913 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.475 5.538 -1.686 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -9.053 4.068 -2.596 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.146 3.972 -1.782 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.577 3.745 -1.780 1.00 0.30 C ATOM 1738 C ALA A 118 -15.893 2.437 -1.079 1.00 0.30 C ATOM 1739 O ALA A 118 -16.428 2.476 0.045 1.00 1.10 O ATOM 1740 CB ALA A 118 -16.120 3.734 -3.200 1.00 0.39 C ATOM 1741 OXT ALA A 118 -15.570 1.375 -1.644 1.00 1.09 O ATOM 0 H ALA A 118 -13.592 3.141 -1.576 1.00 0.26 H new ATOM 0 HA ALA A 118 -16.059 4.559 -1.239 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.196 3.562 -3.177 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.916 4.694 -3.675 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.638 2.938 -3.768 1.00 0.39 H new