USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 760 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 102 MET CE :methyl 154:sc= -0.152 (180deg=-0.654) USER MOD Set 1.2: A 106 GLN : amide:sc= -0.152 K(o=-0.3,f=-0.87) USER MOD Set 2.1: A 38 HIS : no HD1:sc= 0 X(o=-0.14,f=-0.22) USER MOD Set 2.2: A 85 GLN :FLIP amide:sc= -0.143 F(o=-1.3,f=-0.14) USER MOD Set 2.3: A 87 HIS : no HE2:sc= 0 K(o=-0.14,f=-0.65) USER MOD Single : A 3 HIS : no HD1:sc= 0.565 K(o=0.56,f=-5.6!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 19 ASN :FLIP amide:sc= -2.82! C(o=-3.7!,f=-2.8!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0758 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 143:sc= 2.21 USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00426 USER MOD Single : A 36 LYS NZ :NH3+ 151:sc= 1.2 (180deg=0.885) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0855 USER MOD Single : A 43 SER OG : rot -85:sc= -1.25! USER MOD Single : A 44 THR OG1 : rot -0:sc= 1 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 1.14 (180deg=0.987) USER MOD Single : A 49 GLN : amide:sc= -0.0187 X(o=-0.019,f=0.13) USER MOD Single : A 51 THR OG1 : rot -35:sc= -1.69 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 140:sc= 0.459 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -141:sc= -0.114 (180deg=-0.591) USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 1.66 (180deg=1.53) USER MOD Single : A 88 MET CE :methyl 179:sc= -0.719 (180deg=-0.773) USER MOD Single : A 90 SER OG : rot -61:sc= 0.0181 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 93 ASN : amide:sc= -2.27! C(o=-2.3!,f=-15!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -163:sc= -1.62 (180deg=-3.47!) USER MOD Single : A 99 ASN :FLIP amide:sc= -1.11 F(o=-2.5!,f=-1.1) USER MOD Single : A 101 LYS NZ :NH3+ -179:sc= -0.28 (180deg=-0.283) USER MOD Single : A 103 THR OG1 : rot 60:sc= 1.25 USER MOD Single : A 105 GLN : amide:sc= -0.755 X(o=-0.76,f=-1.1) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 14.467 -2.515 2.815 1.00 0.35 N ATOM 29 CA HIS A 3 13.941 -1.267 2.282 1.00 0.24 C ATOM 30 C HIS A 3 13.897 -1.284 0.759 1.00 0.16 C ATOM 31 O HIS A 3 13.808 -0.239 0.123 1.00 0.19 O ATOM 32 CB HIS A 3 14.809 -0.091 2.744 1.00 0.32 C ATOM 33 CG HIS A 3 14.528 0.400 4.130 1.00 0.71 C ATOM 34 ND1 HIS A 3 14.657 -0.380 5.260 1.00 1.12 N ATOM 35 CD2 HIS A 3 14.129 1.618 4.562 1.00 1.43 C ATOM 36 CE1 HIS A 3 14.348 0.339 6.324 1.00 1.64 C ATOM 37 NE2 HIS A 3 14.023 1.554 5.925 1.00 1.85 N ATOM 0 HA HIS A 3 12.924 -1.152 2.658 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.856 -0.388 2.686 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.673 0.736 2.048 1.00 0.32 H new ATOM 0 HD2 HIS A 3 13.931 2.482 3.945 1.00 1.43 H new ATOM 0 HE1 HIS A 3 14.359 -0.008 7.347 1.00 1.64 H new ATOM 0 HE2 HIS A 3 13.739 2.321 6.534 1.00 1.85 H new ATOM 46 N SER A 4 13.968 -2.461 0.179 1.00 0.14 N ATOM 47 CA SER A 4 13.936 -2.599 -1.268 1.00 0.13 C ATOM 48 C SER A 4 13.626 -4.040 -1.657 1.00 0.15 C ATOM 49 O SER A 4 14.077 -4.982 -0.999 1.00 0.24 O ATOM 50 CB SER A 4 15.262 -2.147 -1.885 1.00 0.17 C ATOM 51 OG SER A 4 16.355 -2.901 -1.376 1.00 0.95 O ATOM 0 H SER A 4 14.049 -3.343 0.686 1.00 0.14 H new ATOM 0 HA SER A 4 13.145 -1.958 -1.657 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.216 -2.256 -2.969 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.420 -1.089 -1.677 1.00 0.17 H new ATOM 0 HG SER A 4 17.187 -2.591 -1.790 1.00 0.95 H new ATOM 57 N GLY A 5 12.850 -4.201 -2.713 1.00 0.14 N ATOM 58 CA GLY A 5 12.469 -5.512 -3.184 1.00 0.15 C ATOM 59 C GLY A 5 11.626 -5.396 -4.427 1.00 0.15 C ATOM 60 O GLY A 5 10.887 -4.428 -4.578 1.00 0.16 O ATOM 0 H GLY A 5 12.470 -3.430 -3.262 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.360 -6.103 -3.395 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.914 -6.038 -2.407 1.00 0.15 H new ATOM 64 N ALA A 6 11.737 -6.354 -5.328 1.00 0.16 N ATOM 65 CA ALA A 6 11.031 -6.269 -6.595 1.00 0.17 C ATOM 66 C ALA A 6 9.516 -6.434 -6.410 1.00 0.21 C ATOM 67 O ALA A 6 9.068 -7.195 -5.550 1.00 0.43 O ATOM 68 CB ALA A 6 11.567 -7.296 -7.578 1.00 0.21 C ATOM 0 H ALA A 6 12.304 -7.194 -5.209 1.00 0.16 H new ATOM 0 HA ALA A 6 11.206 -5.274 -7.003 1.00 0.17 H new ATOM 0 HB1 ALA A 6 11.025 -7.215 -8.520 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.627 -7.114 -7.753 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.434 -8.297 -7.167 1.00 0.21 H new ATOM 74 N ALA A 7 8.735 -5.711 -7.214 1.00 0.11 N ATOM 75 CA ALA A 7 7.275 -5.803 -7.173 1.00 0.12 C ATOM 76 C ALA A 7 6.657 -5.456 -8.526 1.00 0.12 C ATOM 77 O ALA A 7 7.247 -4.742 -9.325 1.00 0.13 O ATOM 78 CB ALA A 7 6.702 -4.881 -6.110 1.00 0.12 C ATOM 0 H ALA A 7 9.092 -5.051 -7.905 1.00 0.11 H new ATOM 0 HA ALA A 7 7.027 -6.835 -6.926 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.616 -4.968 -6.100 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.098 -5.161 -5.134 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.981 -3.851 -6.333 1.00 0.12 H new ATOM 84 N ILE A 8 5.465 -5.961 -8.757 1.00 0.15 N ATOM 85 CA ILE A 8 4.706 -5.697 -9.975 1.00 0.19 C ATOM 86 C ILE A 8 3.757 -4.540 -9.733 1.00 0.22 C ATOM 87 O ILE A 8 3.073 -4.494 -8.711 1.00 0.26 O ATOM 88 CB ILE A 8 3.870 -6.935 -10.410 1.00 0.23 C ATOM 89 CG1 ILE A 8 4.740 -8.075 -10.957 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.836 -6.539 -11.445 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.681 -8.689 -9.946 1.00 0.25 C ATOM 0 H ILE A 8 4.983 -6.575 -8.100 1.00 0.15 H new ATOM 0 HA ILE A 8 5.418 -5.461 -10.766 1.00 0.19 H new ATOM 0 HB ILE A 8 3.372 -7.306 -9.514 1.00 0.23 H new ATOM 0 HG12 ILE A 8 4.088 -8.856 -11.348 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.325 -7.698 -11.796 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.260 -7.417 -11.738 1.00 0.29 H new ATOM 0 HG22 ILE A 8 2.166 -5.790 -11.022 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.337 -6.125 -12.320 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.255 -9.485 -10.420 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.362 -7.924 -9.571 1.00 0.25 H new ATOM 0 HD13 ILE A 8 5.106 -9.101 -9.117 1.00 0.25 H new ATOM 103 N PHE A 9 3.722 -3.611 -10.665 1.00 0.28 N ATOM 104 CA PHE A 9 2.802 -2.498 -10.580 1.00 0.34 C ATOM 105 C PHE A 9 2.235 -2.210 -11.958 1.00 0.46 C ATOM 106 O PHE A 9 2.986 -1.953 -12.890 1.00 0.52 O ATOM 107 CB PHE A 9 3.512 -1.268 -10.017 1.00 0.35 C ATOM 108 CG PHE A 9 2.620 -0.090 -9.762 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.827 -0.043 -8.631 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.594 0.976 -10.640 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.023 1.049 -8.380 1.00 0.45 C ATOM 112 CE2 PHE A 9 1.787 2.069 -10.397 1.00 0.56 C ATOM 113 CZ PHE A 9 1.001 2.104 -9.265 1.00 0.52 C ATOM 0 H PHE A 9 4.321 -3.605 -11.491 1.00 0.28 H new ATOM 0 HA PHE A 9 1.983 -2.752 -9.907 1.00 0.34 H new ATOM 0 HB2 PHE A 9 4.002 -1.544 -9.083 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.296 -0.968 -10.712 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.837 -0.870 -7.937 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.212 0.954 -11.526 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.411 1.077 -7.490 1.00 0.45 H new ATOM 0 HE2 PHE A 9 1.771 2.895 -11.092 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.369 2.958 -9.072 1.00 0.52 H new ATOM 123 N GLU A 10 0.913 -2.287 -12.081 1.00 0.58 N ATOM 124 CA GLU A 10 0.233 -2.119 -13.363 1.00 0.73 C ATOM 125 C GLU A 10 0.616 -3.248 -14.312 1.00 0.64 C ATOM 126 O GLU A 10 0.891 -3.030 -15.493 1.00 0.67 O ATOM 127 CB GLU A 10 0.540 -0.757 -13.988 1.00 0.87 C ATOM 128 CG GLU A 10 0.109 0.410 -13.122 1.00 0.98 C ATOM 129 CD GLU A 10 0.468 1.754 -13.725 1.00 1.21 C ATOM 130 OE1 GLU A 10 1.661 2.126 -13.690 1.00 1.25 O ATOM 131 OE2 GLU A 10 -0.434 2.449 -14.239 1.00 1.46 O ATOM 0 H GLU A 10 0.284 -2.467 -11.298 1.00 0.58 H new ATOM 0 HA GLU A 10 -0.841 -2.159 -13.183 1.00 0.73 H new ATOM 0 HB2 GLU A 10 1.611 -0.685 -14.177 1.00 0.87 H new ATOM 0 HB3 GLU A 10 0.041 -0.687 -14.954 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -0.969 0.363 -12.967 1.00 0.98 H new ATOM 0 HG3 GLU A 10 0.576 0.321 -12.141 1.00 0.98 H new ATOM 138 N LYS A 11 0.666 -4.453 -13.746 1.00 0.58 N ATOM 139 CA LYS A 11 0.843 -5.701 -14.495 1.00 0.55 C ATOM 140 C LYS A 11 2.272 -5.892 -15.005 1.00 0.49 C ATOM 141 O LYS A 11 2.608 -6.951 -15.539 1.00 0.56 O ATOM 142 CB LYS A 11 -0.165 -5.794 -15.640 1.00 0.65 C ATOM 143 CG LYS A 11 -1.579 -5.527 -15.171 1.00 0.74 C ATOM 144 CD LYS A 11 -2.051 -6.542 -14.166 1.00 1.29 C ATOM 145 CE LYS A 11 -3.087 -5.944 -13.243 1.00 1.32 C ATOM 146 NZ LYS A 11 -3.439 -6.864 -12.129 1.00 1.91 N ATOM 0 H LYS A 11 0.584 -4.594 -12.739 1.00 0.58 H new ATOM 0 HA LYS A 11 0.654 -6.515 -13.795 1.00 0.55 H new ATOM 0 HB2 LYS A 11 0.101 -5.077 -16.417 1.00 0.65 H new ATOM 0 HB3 LYS A 11 -0.113 -6.786 -16.090 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -1.631 -4.532 -14.730 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -2.250 -5.530 -16.030 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.473 -7.403 -14.684 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -1.204 -6.904 -13.583 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -2.710 -5.007 -12.834 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -3.985 -5.705 -13.813 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -4.152 -6.415 -11.520 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -3.823 -7.749 -12.518 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -2.588 -7.073 -11.569 1.00 1.91 H new ATOM 160 N VAL A 12 3.116 -4.886 -14.835 1.00 0.44 N ATOM 161 CA VAL A 12 4.517 -5.000 -15.206 1.00 0.42 C ATOM 162 C VAL A 12 5.374 -5.282 -13.978 1.00 0.35 C ATOM 163 O VAL A 12 5.193 -4.667 -12.924 1.00 0.30 O ATOM 164 CB VAL A 12 5.045 -3.734 -15.931 1.00 0.47 C ATOM 165 CG1 VAL A 12 4.482 -2.467 -15.315 1.00 0.47 C ATOM 166 CG2 VAL A 12 6.563 -3.697 -15.889 1.00 0.46 C ATOM 0 H VAL A 12 2.855 -3.982 -14.442 1.00 0.44 H new ATOM 0 HA VAL A 12 4.589 -5.834 -15.904 1.00 0.42 H new ATOM 0 HB VAL A 12 4.714 -3.784 -16.968 1.00 0.47 H new ATOM 0 HG11 VAL A 12 4.872 -1.599 -15.847 1.00 0.47 H new ATOM 0 HG12 VAL A 12 3.395 -2.479 -15.389 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.774 -2.411 -14.266 1.00 0.47 H new ATOM 0 HG21 VAL A 12 6.919 -2.803 -16.401 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.898 -3.679 -14.852 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.962 -4.582 -16.384 1.00 0.46 H new ATOM 176 N SER A 13 6.293 -6.224 -14.121 1.00 0.35 N ATOM 177 CA SER A 13 7.229 -6.543 -13.061 1.00 0.30 C ATOM 178 C SER A 13 8.278 -5.451 -12.924 1.00 0.28 C ATOM 179 O SER A 13 8.893 -5.024 -13.905 1.00 0.40 O ATOM 180 CB SER A 13 7.882 -7.901 -13.328 1.00 0.34 C ATOM 181 OG SER A 13 8.308 -8.010 -14.676 1.00 1.02 O ATOM 0 H SER A 13 6.409 -6.782 -14.967 1.00 0.35 H new ATOM 0 HA SER A 13 6.685 -6.602 -12.118 1.00 0.30 H new ATOM 0 HB2 SER A 13 8.735 -8.034 -12.663 1.00 0.34 H new ATOM 0 HB3 SER A 13 7.174 -8.698 -13.102 1.00 0.34 H new ATOM 0 HG SER A 13 8.723 -8.886 -14.818 1.00 1.02 H new ATOM 187 N GLY A 14 8.454 -4.978 -11.705 1.00 0.16 N ATOM 188 CA GLY A 14 9.409 -3.935 -11.448 1.00 0.14 C ATOM 189 C GLY A 14 10.043 -4.067 -10.090 1.00 0.12 C ATOM 190 O GLY A 14 10.035 -5.146 -9.504 1.00 0.14 O ATOM 0 H GLY A 14 7.946 -5.304 -10.883 1.00 0.16 H new ATOM 0 HA2 GLY A 14 10.185 -3.959 -12.213 1.00 0.14 H new ATOM 0 HA3 GLY A 14 8.916 -2.966 -11.524 1.00 0.14 H new ATOM 194 N ILE A 15 10.594 -2.980 -9.591 1.00 0.11 N ATOM 195 CA ILE A 15 11.277 -2.993 -8.314 1.00 0.12 C ATOM 196 C ILE A 15 10.724 -1.925 -7.391 1.00 0.10 C ATOM 197 O ILE A 15 10.214 -0.917 -7.838 1.00 0.08 O ATOM 198 CB ILE A 15 12.791 -2.771 -8.480 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.332 -3.591 -9.654 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.541 -3.122 -7.203 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.373 -5.083 -9.440 1.00 0.19 C ATOM 0 H ILE A 15 10.582 -2.071 -10.054 1.00 0.11 H new ATOM 0 HA ILE A 15 11.108 -3.977 -7.877 1.00 0.12 H new ATOM 0 HB ILE A 15 12.951 -1.713 -8.689 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.720 -3.384 -10.532 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.341 -3.246 -9.881 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.608 -2.955 -7.350 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.185 -2.493 -6.387 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.368 -4.169 -6.956 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.772 -5.568 -10.331 1.00 0.19 H new ATOM 0 HD12 ILE A 15 14.012 -5.311 -8.586 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.365 -5.451 -9.247 1.00 0.19 H new ATOM 213 N ILE A 16 10.831 -2.162 -6.106 1.00 0.13 N ATOM 214 CA ILE A 16 10.368 -1.223 -5.099 1.00 0.11 C ATOM 215 C ILE A 16 11.508 -0.871 -4.157 1.00 0.12 C ATOM 216 O ILE A 16 12.265 -1.745 -3.732 1.00 0.15 O ATOM 217 CB ILE A 16 9.172 -1.802 -4.307 1.00 0.12 C ATOM 218 CG1 ILE A 16 7.920 -0.988 -4.601 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.435 -1.821 -2.805 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.681 -1.530 -3.929 1.00 0.16 C ATOM 0 H ILE A 16 11.242 -3.013 -5.722 1.00 0.13 H new ATOM 0 HA ILE A 16 10.029 -0.317 -5.602 1.00 0.11 H new ATOM 0 HB ILE A 16 9.030 -2.834 -4.629 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.080 0.040 -4.277 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.758 -0.961 -5.679 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.569 -2.235 -2.289 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.310 -2.437 -2.597 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.614 -0.805 -2.454 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.826 -0.902 -4.181 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.497 -2.548 -4.272 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.824 -1.531 -2.848 1.00 0.16 H new ATOM 232 N ALA A 17 11.661 0.406 -3.871 1.00 0.10 N ATOM 233 CA ALA A 17 12.683 0.842 -2.938 1.00 0.10 C ATOM 234 C ALA A 17 12.164 1.905 -1.975 1.00 0.08 C ATOM 235 O ALA A 17 11.892 3.033 -2.369 1.00 0.08 O ATOM 236 CB ALA A 17 13.896 1.345 -3.695 1.00 0.12 C ATOM 0 H ALA A 17 11.095 1.157 -4.267 1.00 0.10 H new ATOM 0 HA ALA A 17 12.972 -0.018 -2.334 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.658 1.670 -2.987 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.296 0.543 -4.315 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.608 2.184 -4.328 1.00 0.12 H new ATOM 242 N ILE A 18 12.036 1.532 -0.717 1.00 0.08 N ATOM 243 CA ILE A 18 11.725 2.473 0.342 1.00 0.08 C ATOM 244 C ILE A 18 13.011 3.105 0.825 1.00 0.09 C ATOM 245 O ILE A 18 13.852 2.433 1.413 1.00 0.18 O ATOM 246 CB ILE A 18 11.082 1.827 1.577 1.00 0.10 C ATOM 247 CG1 ILE A 18 9.924 0.910 1.195 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.625 2.918 2.541 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.340 -0.518 0.960 1.00 0.12 C ATOM 0 H ILE A 18 12.144 0.569 -0.400 1.00 0.08 H new ATOM 0 HA ILE A 18 11.020 3.184 -0.088 1.00 0.08 H new ATOM 0 HB ILE A 18 11.828 1.204 2.070 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.174 0.936 1.986 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.449 1.295 0.293 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.168 2.460 3.418 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.484 3.515 2.849 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.896 3.559 2.045 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.466 -1.112 0.692 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.067 -0.556 0.149 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.788 -0.921 1.868 1.00 0.12 H new ATOM 261 N ASN A 19 13.172 4.373 0.588 1.00 0.13 N ATOM 262 CA ASN A 19 14.363 5.059 1.019 1.00 0.18 C ATOM 263 C ASN A 19 14.020 6.089 2.051 1.00 0.20 C ATOM 264 O ASN A 19 13.142 6.918 1.825 1.00 0.21 O ATOM 265 CB ASN A 19 15.058 5.706 -0.185 1.00 0.22 C ATOM 266 CG ASN A 19 15.965 6.858 0.201 1.00 0.43 C ATOM 267 OD1 ASN A 19 15.436 8.073 0.122 1.00 1.12 O flip ATOM 268 ND2 ASN A 19 17.125 6.662 0.551 1.00 0.29 N flip ATOM 0 H ASN A 19 12.495 4.958 0.098 1.00 0.13 H new ATOM 0 HA ASN A 19 15.048 4.339 1.468 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.643 4.950 -0.709 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.302 6.065 -0.884 1.00 0.22 H new ATOM 0 HD21 ASN A 19 17.490 5.711 0.597 1.00 0.29 H new ATOM 0 HD22 ASN A 19 17.724 7.450 0.795 1.00 0.29 H new ATOM 275 N GLU A 20 14.668 6.039 3.207 1.00 0.24 N ATOM 276 CA GLU A 20 14.609 7.198 4.041 1.00 0.28 C ATOM 277 C GLU A 20 15.995 7.836 4.033 1.00 0.34 C ATOM 278 O GLU A 20 16.821 7.603 4.917 1.00 0.40 O ATOM 279 CB GLU A 20 14.263 6.774 5.471 1.00 0.33 C ATOM 280 CG GLU A 20 13.205 5.694 5.551 1.00 0.33 C ATOM 281 CD GLU A 20 13.137 5.051 6.918 1.00 0.55 C ATOM 282 OE1 GLU A 20 12.607 5.690 7.849 1.00 0.70 O ATOM 283 OE2 GLU A 20 13.617 3.914 7.072 1.00 0.74 O ATOM 0 H GLU A 20 15.208 5.250 3.562 1.00 0.24 H new ATOM 0 HA GLU A 20 13.854 7.897 3.681 1.00 0.28 H new ATOM 0 HB2 GLU A 20 15.168 6.419 5.964 1.00 0.33 H new ATOM 0 HB3 GLU A 20 13.920 7.647 6.026 1.00 0.33 H new ATOM 0 HG2 GLU A 20 12.233 6.123 5.306 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.414 4.929 4.803 1.00 0.33 H new ATOM 290 N ASP A 21 16.234 8.621 3.005 1.00 0.35 N ATOM 291 CA ASP A 21 17.232 9.675 2.974 1.00 0.41 C ATOM 292 C ASP A 21 16.494 10.952 2.655 1.00 0.41 C ATOM 293 O ASP A 21 17.005 12.067 2.745 1.00 0.46 O ATOM 294 CB ASP A 21 18.307 9.361 1.926 1.00 0.44 C ATOM 295 CG ASP A 21 19.283 10.499 1.708 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.230 10.637 2.512 1.00 0.59 O ATOM 297 OD2 ASP A 21 19.102 11.269 0.742 1.00 0.53 O ATOM 0 H ASP A 21 15.717 8.541 2.129 1.00 0.35 H new ATOM 0 HA ASP A 21 17.751 9.767 3.928 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.858 8.473 2.236 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.823 9.121 0.980 1.00 0.44 H new ATOM 302 N VAL A 22 15.244 10.726 2.294 1.00 0.35 N ATOM 303 CA VAL A 22 14.465 11.635 1.483 1.00 0.33 C ATOM 304 C VAL A 22 13.468 12.435 2.321 1.00 0.31 C ATOM 305 O VAL A 22 13.346 12.228 3.531 1.00 0.30 O ATOM 306 CB VAL A 22 13.716 10.758 0.434 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.735 9.830 1.116 1.00 0.25 C ATOM 308 CG2 VAL A 22 13.005 11.560 -0.639 1.00 0.32 C ATOM 0 H VAL A 22 14.733 9.885 2.564 1.00 0.35 H new ATOM 0 HA VAL A 22 15.116 12.367 1.005 1.00 0.33 H new ATOM 0 HB VAL A 22 14.489 10.178 -0.071 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.223 9.227 0.366 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.271 9.176 1.804 1.00 0.25 H new ATOM 0 HG13 VAL A 22 12.003 10.418 1.670 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.507 10.881 -1.331 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.265 12.212 -0.175 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.731 12.164 -1.183 1.00 0.32 H new ATOM 318 N SER A 23 12.789 13.369 1.662 1.00 0.32 N ATOM 319 CA SER A 23 11.607 14.018 2.202 1.00 0.28 C ATOM 320 C SER A 23 10.633 12.906 2.584 1.00 0.18 C ATOM 321 O SER A 23 10.802 11.807 2.068 1.00 0.16 O ATOM 322 CB SER A 23 11.044 14.965 1.137 1.00 0.35 C ATOM 323 OG SER A 23 10.963 14.318 -0.123 1.00 1.31 O ATOM 0 H SER A 23 13.048 13.697 0.732 1.00 0.32 H new ATOM 0 HA SER A 23 11.814 14.621 3.086 1.00 0.28 H new ATOM 0 HB2 SER A 23 10.055 15.310 1.438 1.00 0.35 H new ATOM 0 HB3 SER A 23 11.679 15.848 1.057 1.00 0.35 H new ATOM 0 HG SER A 23 10.600 14.940 -0.787 1.00 1.31 H new ATOM 329 N PRO A 24 9.566 13.138 3.383 1.00 0.16 N ATOM 330 CA PRO A 24 9.055 12.108 4.311 1.00 0.16 C ATOM 331 C PRO A 24 9.038 10.730 3.671 1.00 0.15 C ATOM 332 O PRO A 24 8.484 10.556 2.581 1.00 0.22 O ATOM 333 CB PRO A 24 7.624 12.585 4.587 1.00 0.21 C ATOM 334 CG PRO A 24 7.353 13.593 3.527 1.00 0.19 C ATOM 335 CD PRO A 24 8.662 14.290 3.349 1.00 0.17 C ATOM 0 HA PRO A 24 9.670 12.004 5.205 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.915 11.759 4.539 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.537 13.022 5.582 1.00 0.21 H new ATOM 0 HG2 PRO A 24 7.023 13.121 2.602 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.568 14.287 3.828 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.719 14.837 2.408 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.866 15.005 4.146 1.00 0.17 H new ATOM 343 N ALA A 25 9.635 9.770 4.406 1.00 0.15 N ATOM 344 CA ALA A 25 10.134 8.503 3.850 1.00 0.14 C ATOM 345 C ALA A 25 9.362 8.042 2.644 1.00 0.14 C ATOM 346 O ALA A 25 8.137 7.950 2.652 1.00 0.18 O ATOM 347 CB ALA A 25 10.168 7.415 4.891 1.00 0.20 C ATOM 0 H ALA A 25 9.784 9.857 5.411 1.00 0.15 H new ATOM 0 HA ALA A 25 11.153 8.709 3.522 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.542 6.494 4.443 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.825 7.714 5.708 1.00 0.20 H new ATOM 0 HB3 ALA A 25 9.162 7.248 5.276 1.00 0.20 H new ATOM 353 N GLU A 26 10.105 7.702 1.625 1.00 0.14 N ATOM 354 CA GLU A 26 9.565 7.632 0.306 1.00 0.15 C ATOM 355 C GLU A 26 9.965 6.331 -0.397 1.00 0.11 C ATOM 356 O GLU A 26 11.125 5.920 -0.377 1.00 0.13 O ATOM 357 CB GLU A 26 10.007 8.898 -0.442 1.00 0.27 C ATOM 358 CG GLU A 26 9.624 8.938 -1.883 1.00 0.66 C ATOM 359 CD GLU A 26 10.077 10.215 -2.555 1.00 0.71 C ATOM 360 OE1 GLU A 26 9.311 11.201 -2.549 1.00 1.14 O ATOM 361 OE2 GLU A 26 11.206 10.240 -3.089 1.00 1.26 O ATOM 0 H GLU A 26 11.096 7.468 1.691 1.00 0.14 H new ATOM 0 HA GLU A 26 8.476 7.603 0.332 1.00 0.15 H new ATOM 0 HB2 GLU A 26 9.578 9.767 0.058 1.00 0.27 H new ATOM 0 HB3 GLU A 26 11.091 8.989 -0.366 1.00 0.27 H new ATOM 0 HG2 GLU A 26 10.061 8.083 -2.398 1.00 0.66 H new ATOM 0 HG3 GLU A 26 8.542 8.845 -1.973 1.00 0.66 H new ATOM 368 N LEU A 27 8.975 5.702 -1.014 1.00 0.10 N ATOM 369 CA LEU A 27 9.131 4.440 -1.721 1.00 0.09 C ATOM 370 C LEU A 27 9.222 4.758 -3.187 1.00 0.09 C ATOM 371 O LEU A 27 8.600 5.698 -3.651 1.00 0.13 O ATOM 372 CB LEU A 27 7.893 3.557 -1.450 1.00 0.11 C ATOM 373 CG LEU A 27 7.693 2.299 -2.328 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.672 1.398 -1.676 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.195 2.634 -3.737 1.00 0.11 C ATOM 0 H LEU A 27 8.021 6.063 -1.037 1.00 0.10 H new ATOM 0 HA LEU A 27 10.022 3.907 -1.391 1.00 0.09 H new ATOM 0 HB2 LEU A 27 7.934 3.235 -0.409 1.00 0.11 H new ATOM 0 HB3 LEU A 27 7.007 4.183 -1.556 1.00 0.11 H new ATOM 0 HG LEU A 27 8.665 1.814 -2.416 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.526 0.509 -2.290 1.00 0.15 H new ATOM 0 HD12 LEU A 27 7.025 1.103 -0.688 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.726 1.931 -1.579 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.073 1.714 -4.308 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.237 3.150 -3.671 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.920 3.277 -4.236 1.00 0.11 H new ATOM 387 N THR A 28 9.977 3.990 -3.919 1.00 0.08 N ATOM 388 CA THR A 28 10.102 4.234 -5.328 1.00 0.09 C ATOM 389 C THR A 28 10.051 2.933 -6.099 1.00 0.08 C ATOM 390 O THR A 28 10.973 2.118 -6.030 1.00 0.10 O ATOM 391 CB THR A 28 11.400 4.987 -5.654 1.00 0.14 C ATOM 392 OG1 THR A 28 11.529 6.144 -4.810 1.00 0.21 O ATOM 393 CG2 THR A 28 11.398 5.414 -7.105 1.00 0.14 C ATOM 0 H THR A 28 10.512 3.196 -3.568 1.00 0.08 H new ATOM 0 HA THR A 28 9.262 4.860 -5.629 1.00 0.09 H new ATOM 0 HB THR A 28 12.244 4.321 -5.475 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.361 6.615 -5.026 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.322 5.947 -7.329 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.324 4.534 -7.743 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.547 6.069 -7.290 1.00 0.14 H new ATOM 401 N TRP A 29 8.957 2.732 -6.811 1.00 0.08 N ATOM 402 CA TRP A 29 8.824 1.576 -7.668 1.00 0.08 C ATOM 403 C TRP A 29 9.445 1.877 -9.012 1.00 0.08 C ATOM 404 O TRP A 29 8.967 2.709 -9.761 1.00 0.12 O ATOM 405 CB TRP A 29 7.361 1.175 -7.842 1.00 0.11 C ATOM 406 CG TRP A 29 7.163 0.007 -8.769 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.269 -1.321 -8.461 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.815 0.066 -10.156 1.00 0.14 C ATOM 409 NE1 TRP A 29 7.018 -2.086 -9.575 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.739 -1.257 -10.628 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.565 1.112 -11.044 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.421 -1.560 -11.949 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.249 0.813 -12.352 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.179 -0.512 -12.795 1.00 0.24 C ATOM 0 H TRP A 29 8.150 3.356 -6.810 1.00 0.08 H new ATOM 0 HA TRP A 29 9.342 0.738 -7.201 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.942 0.929 -6.866 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.802 2.029 -8.223 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.514 -1.712 -7.485 1.00 0.13 H new ATOM 0 HE1 TRP A 29 7.037 -3.105 -9.611 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.618 2.139 -10.713 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.367 -2.582 -12.293 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 6.052 1.616 -13.047 1.00 0.24 H new ATOM 0 HH2 TRP A 29 5.929 -0.712 -13.826 1.00 0.24 H new ATOM 425 N ARG A 30 10.521 1.200 -9.287 1.00 0.10 N ATOM 426 CA ARG A 30 11.239 1.360 -10.522 1.00 0.12 C ATOM 427 C ARG A 30 11.216 0.040 -11.264 1.00 0.13 C ATOM 428 O ARG A 30 11.722 -0.953 -10.759 1.00 0.15 O ATOM 429 CB ARG A 30 12.668 1.797 -10.210 1.00 0.15 C ATOM 430 CG ARG A 30 13.572 1.833 -11.421 1.00 0.21 C ATOM 431 CD ARG A 30 14.479 0.617 -11.448 1.00 0.32 C ATOM 432 NE ARG A 30 15.284 0.545 -12.667 1.00 0.33 N ATOM 433 CZ ARG A 30 15.996 -0.523 -13.025 1.00 0.47 C ATOM 434 NH1 ARG A 30 15.990 -1.612 -12.262 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.720 -0.499 -14.138 1.00 0.51 N ATOM 0 H ARG A 30 10.931 0.513 -8.654 1.00 0.10 H new ATOM 0 HA ARG A 30 10.778 2.122 -11.150 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.644 2.788 -9.756 1.00 0.15 H new ATOM 0 HB3 ARG A 30 13.093 1.118 -9.471 1.00 0.15 H new ATOM 0 HG2 ARG A 30 12.971 1.865 -12.329 1.00 0.21 H new ATOM 0 HG3 ARG A 30 14.174 2.742 -11.405 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.140 0.641 -10.581 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.874 -0.286 -11.362 1.00 0.32 H new ATOM 0 HE ARG A 30 15.301 1.361 -13.279 1.00 0.33 H new ATOM 0 HH11 ARG A 30 15.440 -1.630 -11.403 1.00 0.87 H new ATOM 0 HH12 ARG A 30 16.535 -2.430 -12.536 1.00 0.87 H new ATOM 0 HH21 ARG A 30 16.732 0.338 -14.721 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.264 -1.318 -14.410 1.00 0.51 H new ATOM 449 N SER A 31 10.625 0.024 -12.449 1.00 0.16 N ATOM 450 CA SER A 31 10.437 -1.207 -13.188 1.00 0.18 C ATOM 451 C SER A 31 11.766 -1.907 -13.430 1.00 0.20 C ATOM 452 O SER A 31 12.812 -1.264 -13.487 1.00 0.24 O ATOM 453 CB SER A 31 9.726 -0.929 -14.513 1.00 0.28 C ATOM 454 OG SER A 31 10.452 -0.002 -15.299 1.00 0.75 O ATOM 0 H SER A 31 10.267 0.856 -12.918 1.00 0.16 H new ATOM 0 HA SER A 31 9.812 -1.871 -12.590 1.00 0.18 H new ATOM 0 HB2 SER A 31 9.603 -1.861 -15.065 1.00 0.28 H new ATOM 0 HB3 SER A 31 8.727 -0.540 -14.318 1.00 0.28 H new ATOM 0 HG SER A 31 10.379 -0.247 -16.245 1.00 0.75 H new ATOM 460 N THR A 32 11.716 -3.221 -13.556 1.00 0.20 N ATOM 461 CA THR A 32 12.913 -4.025 -13.769 1.00 0.26 C ATOM 462 C THR A 32 13.667 -3.520 -15.002 1.00 0.30 C ATOM 463 O THR A 32 14.899 -3.511 -15.047 1.00 0.38 O ATOM 464 CB THR A 32 12.537 -5.505 -13.960 1.00 0.31 C ATOM 465 OG1 THR A 32 11.675 -5.909 -12.893 1.00 0.31 O ATOM 466 CG2 THR A 32 13.774 -6.389 -13.979 1.00 0.39 C ATOM 0 H THR A 32 10.852 -3.761 -13.514 1.00 0.20 H new ATOM 0 HA THR A 32 13.554 -3.935 -12.892 1.00 0.26 H new ATOM 0 HB THR A 32 12.029 -5.614 -14.918 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.430 -6.851 -13.009 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.476 -7.429 -14.115 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.424 -6.087 -14.800 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.309 -6.286 -13.035 1.00 0.39 H new ATOM 474 N ASP A 33 12.895 -3.074 -15.987 1.00 0.32 N ATOM 475 CA ASP A 33 13.422 -2.518 -17.216 1.00 0.39 C ATOM 476 C ASP A 33 13.921 -1.087 -17.018 1.00 0.37 C ATOM 477 O ASP A 33 14.817 -0.626 -17.725 1.00 0.44 O ATOM 478 CB ASP A 33 12.331 -2.541 -18.280 1.00 0.52 C ATOM 479 CG ASP A 33 10.997 -2.064 -17.749 1.00 1.60 C ATOM 480 OD1 ASP A 33 10.769 -0.840 -17.711 1.00 2.33 O ATOM 481 OD2 ASP A 33 10.176 -2.911 -17.341 1.00 2.07 O ATOM 0 H ASP A 33 11.876 -3.091 -15.949 1.00 0.32 H new ATOM 0 HA ASP A 33 14.271 -3.124 -17.532 1.00 0.39 H new ATOM 0 HB2 ASP A 33 12.631 -1.912 -19.118 1.00 0.52 H new ATOM 0 HB3 ASP A 33 12.224 -3.555 -18.665 1.00 0.52 H new ATOM 486 N GLY A 34 13.330 -0.385 -16.059 1.00 0.36 N ATOM 487 CA GLY A 34 13.763 0.961 -15.748 1.00 0.37 C ATOM 488 C GLY A 34 13.004 2.026 -16.515 1.00 0.42 C ATOM 489 O GLY A 34 13.288 3.216 -16.371 1.00 0.55 O ATOM 0 H GLY A 34 12.556 -0.727 -15.490 1.00 0.36 H new ATOM 0 HA2 GLY A 34 13.642 1.137 -14.679 1.00 0.37 H new ATOM 0 HA3 GLY A 34 14.827 1.053 -15.968 1.00 0.37 H new ATOM 493 N ASP A 35 12.042 1.608 -17.329 1.00 0.45 N ATOM 494 CA ASP A 35 11.267 2.547 -18.133 1.00 0.55 C ATOM 495 C ASP A 35 10.145 3.194 -17.321 1.00 0.46 C ATOM 496 O ASP A 35 9.706 4.303 -17.629 1.00 0.74 O ATOM 497 CB ASP A 35 10.693 1.846 -19.360 1.00 0.73 C ATOM 498 CG ASP A 35 9.889 2.776 -20.246 1.00 0.89 C ATOM 499 OD1 ASP A 35 10.475 3.720 -20.815 1.00 1.13 O ATOM 500 OD2 ASP A 35 8.666 2.564 -20.383 1.00 0.92 O ATOM 0 H ASP A 35 11.780 0.630 -17.450 1.00 0.45 H new ATOM 0 HA ASP A 35 11.942 3.339 -18.457 1.00 0.55 H new ATOM 0 HB2 ASP A 35 11.508 1.414 -19.940 1.00 0.73 H new ATOM 0 HB3 ASP A 35 10.059 1.020 -19.037 1.00 0.73 H new ATOM 505 N LYS A 36 9.694 2.518 -16.275 1.00 0.34 N ATOM 506 CA LYS A 36 8.613 3.034 -15.446 1.00 0.34 C ATOM 507 C LYS A 36 9.044 3.201 -14.002 1.00 0.27 C ATOM 508 O LYS A 36 9.773 2.375 -13.456 1.00 0.34 O ATOM 509 CB LYS A 36 7.389 2.130 -15.517 1.00 0.55 C ATOM 510 CG LYS A 36 6.410 2.532 -16.598 1.00 0.92 C ATOM 511 CD LYS A 36 5.370 1.447 -16.833 1.00 0.90 C ATOM 512 CE LYS A 36 4.386 1.341 -15.675 1.00 1.25 C ATOM 513 NZ LYS A 36 3.515 2.543 -15.563 1.00 2.03 N ATOM 0 H LYS A 36 10.058 1.612 -15.980 1.00 0.34 H new ATOM 0 HA LYS A 36 8.352 4.016 -15.841 1.00 0.34 H new ATOM 0 HB2 LYS A 36 7.713 1.104 -15.693 1.00 0.55 H new ATOM 0 HB3 LYS A 36 6.880 2.142 -14.553 1.00 0.55 H new ATOM 0 HG2 LYS A 36 5.913 3.460 -16.315 1.00 0.92 H new ATOM 0 HG3 LYS A 36 6.949 2.729 -17.525 1.00 0.92 H new ATOM 0 HD2 LYS A 36 4.826 1.659 -17.753 1.00 0.90 H new ATOM 0 HD3 LYS A 36 5.871 0.489 -16.973 1.00 0.90 H new ATOM 0 HE2 LYS A 36 3.764 0.456 -15.809 1.00 1.25 H new ATOM 0 HE3 LYS A 36 4.937 1.206 -14.744 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 2.601 2.272 -15.148 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 3.975 3.250 -14.955 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 3.359 2.948 -16.508 1.00 2.03 H new ATOM 527 N VAL A 37 8.581 4.279 -13.396 1.00 0.22 N ATOM 528 CA VAL A 37 8.889 4.584 -12.000 1.00 0.21 C ATOM 529 C VAL A 37 7.671 5.198 -11.304 1.00 0.22 C ATOM 530 O VAL A 37 7.100 6.178 -11.783 1.00 0.32 O ATOM 531 CB VAL A 37 10.089 5.559 -11.877 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.287 5.998 -10.434 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.367 4.926 -12.408 1.00 0.55 C ATOM 0 H VAL A 37 7.983 4.969 -13.851 1.00 0.22 H new ATOM 0 HA VAL A 37 9.155 3.644 -11.517 1.00 0.21 H new ATOM 0 HB VAL A 37 9.861 6.437 -12.481 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.134 6.681 -10.375 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.388 6.503 -10.081 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.481 5.125 -9.811 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.191 5.632 -12.309 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.591 4.025 -11.837 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.235 4.667 -13.459 1.00 0.55 H new ATOM 543 N HIS A 38 7.272 4.609 -10.184 1.00 0.17 N ATOM 544 CA HIS A 38 6.162 5.116 -9.396 1.00 0.19 C ATOM 545 C HIS A 38 6.578 5.287 -7.940 1.00 0.17 C ATOM 546 O HIS A 38 6.816 4.310 -7.232 1.00 0.17 O ATOM 547 CB HIS A 38 4.978 4.168 -9.475 1.00 0.25 C ATOM 548 CG HIS A 38 3.697 4.789 -9.004 1.00 0.41 C ATOM 549 ND1 HIS A 38 2.797 5.386 -9.856 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.183 4.933 -7.761 1.00 0.56 C ATOM 551 CE1 HIS A 38 1.790 5.872 -9.161 1.00 0.67 C ATOM 552 NE2 HIS A 38 1.995 5.612 -7.882 1.00 0.69 N ATOM 0 H HIS A 38 7.708 3.771 -9.800 1.00 0.17 H new ATOM 0 HA HIS A 38 5.872 6.085 -9.802 1.00 0.19 H new ATOM 0 HB2 HIS A 38 4.856 3.833 -10.505 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.188 3.283 -8.875 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.626 4.579 -6.842 1.00 0.56 H new ATOM 0 HE1 HIS A 38 0.938 6.396 -9.569 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.376 5.872 -7.114 1.00 0.69 H new ATOM 561 N THR A 39 6.647 6.522 -7.490 1.00 0.18 N ATOM 562 CA THR A 39 7.098 6.818 -6.140 1.00 0.17 C ATOM 563 C THR A 39 5.913 6.987 -5.175 1.00 0.19 C ATOM 564 O THR A 39 4.841 7.444 -5.572 1.00 0.30 O ATOM 565 CB THR A 39 7.946 8.101 -6.147 1.00 0.22 C ATOM 566 OG1 THR A 39 8.990 7.983 -7.124 1.00 0.23 O ATOM 567 CG2 THR A 39 8.555 8.355 -4.784 1.00 0.23 C ATOM 0 H THR A 39 6.396 7.343 -8.040 1.00 0.18 H new ATOM 0 HA THR A 39 7.699 5.977 -5.793 1.00 0.17 H new ATOM 0 HB THR A 39 7.297 8.940 -6.398 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.528 8.802 -7.128 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.150 9.268 -4.816 1.00 0.23 H new ATOM 0 HG22 THR A 39 7.761 8.465 -4.045 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.193 7.515 -4.509 1.00 0.23 H new ATOM 575 N VAL A 40 6.103 6.590 -3.916 1.00 0.13 N ATOM 576 CA VAL A 40 5.085 6.752 -2.880 1.00 0.18 C ATOM 577 C VAL A 40 5.643 7.492 -1.656 1.00 0.11 C ATOM 578 O VAL A 40 6.676 7.103 -1.112 1.00 0.11 O ATOM 579 CB VAL A 40 4.548 5.377 -2.424 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.772 5.505 -1.130 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.672 4.749 -3.487 1.00 0.66 C ATOM 0 H VAL A 40 6.963 6.149 -3.588 1.00 0.13 H new ATOM 0 HA VAL A 40 4.277 7.340 -3.315 1.00 0.18 H new ATOM 0 HB VAL A 40 5.409 4.729 -2.259 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.404 4.525 -0.828 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.424 5.903 -0.352 1.00 0.47 H new ATOM 0 HG13 VAL A 40 2.929 6.180 -1.277 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.310 3.783 -3.136 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.824 5.402 -3.692 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.251 4.610 -4.400 1.00 0.66 H new ATOM 591 N VAL A 41 4.960 8.554 -1.228 1.00 0.10 N ATOM 592 CA VAL A 41 5.315 9.243 0.006 1.00 0.10 C ATOM 593 C VAL A 41 4.552 8.628 1.168 1.00 0.08 C ATOM 594 O VAL A 41 3.343 8.804 1.305 1.00 0.09 O ATOM 595 CB VAL A 41 5.023 10.762 -0.058 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.449 11.454 1.236 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.722 11.388 -1.253 1.00 0.18 C ATOM 0 H VAL A 41 4.160 8.953 -1.719 1.00 0.10 H new ATOM 0 HA VAL A 41 6.389 9.124 0.148 1.00 0.10 H new ATOM 0 HB VAL A 41 3.948 10.897 -0.176 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.234 12.520 1.166 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.900 11.027 2.075 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.518 11.309 1.391 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.506 12.456 -1.283 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.798 11.238 -1.165 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.364 10.920 -2.170 1.00 0.18 H new ATOM 607 N LEU A 42 5.281 7.906 1.988 1.00 0.08 N ATOM 608 CA LEU A 42 4.732 7.217 3.162 1.00 0.09 C ATOM 609 C LEU A 42 3.899 8.137 4.052 1.00 0.10 C ATOM 610 O LEU A 42 2.973 7.681 4.714 1.00 0.12 O ATOM 611 CB LEU A 42 5.851 6.595 3.998 1.00 0.10 C ATOM 612 CG LEU A 42 6.413 5.262 3.497 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.484 4.139 3.904 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.619 5.258 1.986 1.00 0.10 C ATOM 0 H LEU A 42 6.285 7.771 1.868 1.00 0.08 H new ATOM 0 HA LEU A 42 4.075 6.438 2.776 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.671 7.311 4.058 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.480 6.450 5.012 1.00 0.10 H new ATOM 0 HG LEU A 42 7.392 5.116 3.954 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.883 3.189 3.548 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.399 4.112 4.990 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.499 4.305 3.467 1.00 0.12 H new ATOM 0 HD21 LEU A 42 7.019 4.293 1.676 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.665 5.432 1.488 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.320 6.046 1.712 1.00 0.10 H new ATOM 626 N SER A 43 4.220 9.423 4.081 1.00 0.12 N ATOM 627 CA SER A 43 3.471 10.356 4.916 1.00 0.15 C ATOM 628 C SER A 43 2.095 10.648 4.332 1.00 0.14 C ATOM 629 O SER A 43 1.128 10.825 5.070 1.00 0.17 O ATOM 630 CB SER A 43 4.246 11.644 5.121 1.00 0.20 C ATOM 631 OG SER A 43 5.388 11.406 5.913 1.00 1.06 O ATOM 0 H SER A 43 4.981 9.841 3.546 1.00 0.12 H new ATOM 0 HA SER A 43 3.328 9.881 5.887 1.00 0.15 H new ATOM 0 HB2 SER A 43 4.543 12.055 4.156 1.00 0.20 H new ATOM 0 HB3 SER A 43 3.610 12.387 5.602 1.00 0.20 H new ATOM 0 HG SER A 43 5.142 11.442 6.861 1.00 1.06 H new ATOM 637 N THR A 44 1.997 10.691 3.007 1.00 0.13 N ATOM 638 CA THR A 44 0.696 10.828 2.367 1.00 0.14 C ATOM 639 C THR A 44 -0.074 9.516 2.488 1.00 0.13 C ATOM 640 O THR A 44 -1.292 9.474 2.340 1.00 0.18 O ATOM 641 CB THR A 44 0.811 11.246 0.882 1.00 0.16 C ATOM 642 OG1 THR A 44 1.600 10.304 0.144 1.00 0.17 O ATOM 643 CG2 THR A 44 1.435 12.626 0.761 1.00 0.20 C ATOM 0 H THR A 44 2.788 10.634 2.366 1.00 0.13 H new ATOM 0 HA THR A 44 0.157 11.624 2.881 1.00 0.14 H new ATOM 0 HB THR A 44 -0.197 11.268 0.467 1.00 0.16 H new ATOM 0 HG1 THR A 44 1.903 9.591 0.744 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.507 12.902 -0.291 1.00 0.20 H new ATOM 0 HG22 THR A 44 0.815 13.353 1.285 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.432 12.615 1.202 1.00 0.20 H new ATOM 651 N ILE A 45 0.663 8.452 2.774 1.00 0.11 N ATOM 652 CA ILE A 45 0.095 7.142 3.029 1.00 0.12 C ATOM 653 C ILE A 45 -0.444 7.046 4.458 1.00 0.16 C ATOM 654 O ILE A 45 0.293 7.201 5.430 1.00 0.23 O ATOM 655 CB ILE A 45 1.156 6.049 2.807 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.700 6.111 1.379 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.581 4.680 3.093 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.646 5.876 0.305 1.00 0.10 C ATOM 0 H ILE A 45 1.681 8.477 2.835 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.731 6.994 2.333 1.00 0.12 H new ATOM 0 HB ILE A 45 1.979 6.227 3.499 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.158 7.087 1.217 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.489 5.367 1.269 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.347 3.922 2.930 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.242 4.637 4.128 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.262 4.493 2.427 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.110 5.936 -0.679 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.204 4.888 0.439 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.132 6.635 0.386 1.00 0.10 H new ATOM 670 N ASP A 46 -1.746 6.833 4.575 1.00 0.16 N ATOM 671 CA ASP A 46 -2.395 6.663 5.868 1.00 0.22 C ATOM 672 C ASP A 46 -2.124 5.282 6.457 1.00 0.22 C ATOM 673 O ASP A 46 -1.852 5.151 7.651 1.00 0.28 O ATOM 674 CB ASP A 46 -3.899 6.877 5.723 1.00 0.28 C ATOM 675 CG ASP A 46 -4.656 6.619 7.009 1.00 0.46 C ATOM 676 OD1 ASP A 46 -4.466 7.375 7.983 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.436 5.645 7.061 1.00 0.61 O ATOM 0 H ASP A 46 -2.382 6.773 3.779 1.00 0.16 H new ATOM 0 HA ASP A 46 -1.980 7.405 6.551 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.086 7.900 5.396 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.281 6.218 4.943 1.00 0.28 H new ATOM 682 N LYS A 47 -2.205 4.256 5.617 1.00 0.21 N ATOM 683 CA LYS A 47 -1.993 2.879 6.061 1.00 0.27 C ATOM 684 C LYS A 47 -1.224 2.112 5.008 1.00 0.18 C ATOM 685 O LYS A 47 -1.283 2.441 3.833 1.00 0.20 O ATOM 686 CB LYS A 47 -3.321 2.137 6.288 1.00 0.41 C ATOM 687 CG LYS A 47 -4.273 2.804 7.269 1.00 1.07 C ATOM 688 CD LYS A 47 -3.742 2.761 8.691 1.00 1.01 C ATOM 689 CE LYS A 47 -4.775 3.266 9.687 1.00 1.60 C ATOM 690 NZ LYS A 47 -5.096 4.703 9.487 1.00 1.95 N ATOM 0 H LYS A 47 -2.416 4.350 4.623 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.442 2.932 7.000 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -3.828 2.030 5.329 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.101 1.131 6.646 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.433 3.841 6.972 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -5.243 2.308 7.228 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -3.460 1.739 8.944 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -2.839 3.368 8.762 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -5.687 2.676 9.592 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -4.403 3.117 10.700 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -5.752 5.019 10.230 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -4.222 5.264 9.536 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -5.539 4.833 8.555 1.00 1.95 H new ATOM 704 N LEU A 48 -0.511 1.091 5.420 1.00 0.14 N ATOM 705 CA LEU A 48 0.019 0.141 4.475 1.00 0.10 C ATOM 706 C LEU A 48 -0.582 -1.217 4.746 1.00 0.11 C ATOM 707 O LEU A 48 -0.843 -1.585 5.889 1.00 0.14 O ATOM 708 CB LEU A 48 1.539 0.048 4.521 1.00 0.10 C ATOM 709 CG LEU A 48 2.096 -1.248 3.942 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.011 -1.249 2.434 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.517 -1.458 4.371 1.00 0.13 C ATOM 0 H LEU A 48 -0.286 0.898 6.396 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.248 0.488 3.477 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.962 0.890 3.973 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.868 0.143 5.556 1.00 0.10 H new ATOM 0 HG LEU A 48 1.488 -2.067 4.326 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.415 -2.185 2.047 1.00 0.12 H new ATOM 0 HD12 LEU A 48 0.970 -1.150 2.128 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.587 -0.413 2.037 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.892 -2.389 3.945 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.129 -0.627 4.021 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.565 -1.511 5.459 1.00 0.13 H new ATOM 723 N GLN A 49 -0.777 -1.948 3.683 1.00 0.10 N ATOM 724 CA GLN A 49 -1.377 -3.254 3.736 1.00 0.11 C ATOM 725 C GLN A 49 -0.455 -4.273 3.100 1.00 0.10 C ATOM 726 O GLN A 49 0.394 -3.930 2.278 1.00 0.12 O ATOM 727 CB GLN A 49 -2.696 -3.247 2.989 1.00 0.15 C ATOM 728 CG GLN A 49 -3.757 -2.335 3.588 1.00 0.27 C ATOM 729 CD GLN A 49 -4.248 -2.816 4.942 1.00 0.86 C ATOM 730 OE1 GLN A 49 -3.713 -2.440 5.980 1.00 1.49 O ATOM 731 NE2 GLN A 49 -5.276 -3.649 4.935 1.00 1.03 N ATOM 0 H GLN A 49 -0.520 -1.650 2.742 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.548 -3.517 4.780 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.514 -2.943 1.958 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.086 -4.264 2.957 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.350 -1.329 3.690 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -4.602 -2.269 2.903 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -5.693 -3.937 4.050 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -5.652 -4.003 5.815 1.00 1.03 H new ATOM 740 N ALA A 50 -0.639 -5.515 3.480 1.00 0.11 N ATOM 741 CA ALA A 50 0.131 -6.624 2.936 1.00 0.13 C ATOM 742 C ALA A 50 -0.583 -7.939 3.234 1.00 0.18 C ATOM 743 O ALA A 50 -1.268 -8.059 4.253 1.00 0.25 O ATOM 744 CB ALA A 50 1.550 -6.613 3.510 1.00 0.16 C ATOM 0 H ALA A 50 -1.329 -5.793 4.178 1.00 0.11 H new ATOM 0 HA ALA A 50 0.211 -6.518 1.854 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.116 -7.447 3.096 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.041 -5.676 3.249 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.504 -6.709 4.595 1.00 0.16 H new ATOM 750 N THR A 51 -0.461 -8.888 2.306 1.00 0.17 N ATOM 751 CA THR A 51 -1.056 -10.224 2.428 1.00 0.22 C ATOM 752 C THR A 51 -0.857 -10.805 3.820 1.00 0.33 C ATOM 753 O THR A 51 0.265 -10.892 4.324 1.00 0.37 O ATOM 754 CB THR A 51 -0.423 -11.176 1.405 1.00 0.21 C ATOM 755 OG1 THR A 51 1.000 -11.064 1.456 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.899 -10.881 -0.005 1.00 0.20 C ATOM 0 H THR A 51 0.058 -8.752 1.439 1.00 0.17 H new ATOM 0 HA THR A 51 -2.125 -10.120 2.242 1.00 0.22 H new ATOM 0 HB THR A 51 -0.729 -12.190 1.662 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.248 -10.135 1.643 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.429 -11.576 -0.701 1.00 0.20 H new ATOM 0 HG22 THR A 51 -1.982 -10.995 -0.055 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.629 -9.860 -0.274 1.00 0.20 H new ATOM 764 N PRO A 52 -1.963 -11.207 4.442 1.00 0.41 N ATOM 765 CA PRO A 52 -1.974 -11.809 5.778 1.00 0.54 C ATOM 766 C PRO A 52 -1.294 -13.170 5.786 1.00 0.61 C ATOM 767 O PRO A 52 -1.037 -13.740 4.729 1.00 0.58 O ATOM 768 CB PRO A 52 -3.470 -11.957 6.074 1.00 0.64 C ATOM 769 CG PRO A 52 -4.104 -12.033 4.739 1.00 0.60 C ATOM 770 CD PRO A 52 -3.313 -11.117 3.870 1.00 0.45 C ATOM 0 HA PRO A 52 -1.436 -11.211 6.513 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -3.672 -12.853 6.661 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -3.848 -11.109 6.646 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -4.086 -13.052 4.354 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -5.149 -11.727 4.783 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -3.332 -11.433 2.827 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.698 -10.098 3.901 1.00 0.45 H new ATOM 778 N ALA A 53 -0.981 -13.680 6.964 1.00 0.73 N ATOM 779 CA ALA A 53 -0.425 -15.022 7.085 1.00 0.86 C ATOM 780 C ALA A 53 -1.392 -16.051 6.503 1.00 0.91 C ATOM 781 O ALA A 53 -0.981 -17.092 5.995 1.00 1.00 O ATOM 782 CB ALA A 53 -0.119 -15.339 8.540 1.00 1.02 C ATOM 0 H ALA A 53 -1.101 -13.189 7.850 1.00 0.73 H new ATOM 0 HA ALA A 53 0.506 -15.066 6.520 1.00 0.86 H new ATOM 0 HB1 ALA A 53 0.295 -16.344 8.614 1.00 1.02 H new ATOM 0 HB2 ALA A 53 0.604 -14.619 8.925 1.00 1.02 H new ATOM 0 HB3 ALA A 53 -1.036 -15.281 9.126 1.00 1.02 H new ATOM 788 N SER A 54 -2.681 -15.733 6.569 1.00 0.89 N ATOM 789 CA SER A 54 -3.727 -16.585 6.020 1.00 0.98 C ATOM 790 C SER A 54 -3.684 -16.573 4.489 1.00 0.88 C ATOM 791 O SER A 54 -4.166 -17.497 3.833 1.00 0.97 O ATOM 792 CB SER A 54 -5.092 -16.101 6.515 1.00 1.07 C ATOM 793 OG SER A 54 -6.088 -17.098 6.369 1.00 1.58 O ATOM 0 H SER A 54 -3.028 -14.878 7.004 1.00 0.89 H new ATOM 0 HA SER A 54 -3.563 -17.609 6.357 1.00 0.98 H new ATOM 0 HB2 SER A 54 -5.017 -15.813 7.564 1.00 1.07 H new ATOM 0 HB3 SER A 54 -5.385 -15.210 5.960 1.00 1.07 H new ATOM 0 HG SER A 54 -6.945 -16.754 6.697 1.00 1.58 H new ATOM 799 N SER A 55 -3.100 -15.521 3.928 1.00 0.71 N ATOM 800 CA SER A 55 -2.968 -15.395 2.482 1.00 0.61 C ATOM 801 C SER A 55 -1.919 -16.373 1.955 1.00 0.63 C ATOM 802 O SER A 55 -0.924 -16.658 2.627 1.00 0.71 O ATOM 803 CB SER A 55 -2.565 -13.962 2.098 1.00 0.55 C ATOM 804 OG SER A 55 -2.430 -13.823 0.695 1.00 0.54 O ATOM 0 H SER A 55 -2.709 -14.740 4.455 1.00 0.71 H new ATOM 0 HA SER A 55 -3.934 -15.627 2.034 1.00 0.61 H new ATOM 0 HB2 SER A 55 -3.315 -13.261 2.464 1.00 0.55 H new ATOM 0 HB3 SER A 55 -1.624 -13.704 2.583 1.00 0.55 H new ATOM 0 HG SER A 55 -2.801 -12.960 0.415 1.00 0.54 H new ATOM 810 N GLU A 56 -2.154 -16.889 0.757 1.00 0.61 N ATOM 811 CA GLU A 56 -1.188 -17.741 0.082 1.00 0.69 C ATOM 812 C GLU A 56 -0.261 -16.888 -0.763 1.00 0.60 C ATOM 813 O GLU A 56 0.724 -17.372 -1.321 1.00 0.70 O ATOM 814 CB GLU A 56 -1.894 -18.743 -0.810 1.00 0.80 C ATOM 815 CG GLU A 56 -2.725 -19.745 -0.045 1.00 1.19 C ATOM 816 CD GLU A 56 -1.899 -20.585 0.905 1.00 2.20 C ATOM 817 OE1 GLU A 56 -1.180 -21.491 0.440 1.00 2.89 O ATOM 818 OE2 GLU A 56 -1.952 -20.332 2.128 1.00 2.66 O ATOM 0 H GLU A 56 -3.013 -16.730 0.230 1.00 0.61 H new ATOM 0 HA GLU A 56 -0.614 -18.280 0.836 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -2.536 -18.207 -1.509 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -1.152 -19.276 -1.404 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -3.495 -19.218 0.518 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -3.238 -20.399 -0.750 1.00 1.19 H new ATOM 825 N LYS A 57 -0.601 -15.616 -0.854 1.00 0.46 N ATOM 826 CA LYS A 57 0.090 -14.700 -1.738 1.00 0.39 C ATOM 827 C LYS A 57 1.024 -13.798 -0.964 1.00 0.32 C ATOM 828 O LYS A 57 1.145 -13.888 0.259 1.00 0.39 O ATOM 829 CB LYS A 57 -0.918 -13.839 -2.499 1.00 0.41 C ATOM 830 CG LYS A 57 -2.171 -14.581 -2.939 1.00 0.56 C ATOM 831 CD LYS A 57 -1.858 -15.746 -3.851 1.00 0.89 C ATOM 832 CE LYS A 57 -1.126 -15.295 -5.101 1.00 1.84 C ATOM 833 NZ LYS A 57 -0.886 -16.420 -6.039 1.00 2.59 N ATOM 0 H LYS A 57 -1.360 -15.192 -0.320 1.00 0.46 H new ATOM 0 HA LYS A 57 0.674 -15.294 -2.441 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.210 -12.999 -1.868 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.430 -13.421 -3.379 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -2.703 -14.944 -2.060 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -2.838 -13.889 -3.453 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -1.250 -16.475 -3.315 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -2.784 -16.248 -4.132 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -1.708 -14.522 -5.603 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -0.173 -14.846 -4.821 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -0.384 -16.070 -6.880 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -0.310 -17.147 -5.569 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -1.796 -16.833 -6.326 1.00 2.59 H new ATOM 847 N MET A 58 1.696 -12.945 -1.708 1.00 0.27 N ATOM 848 CA MET A 58 2.605 -11.973 -1.158 1.00 0.25 C ATOM 849 C MET A 58 2.380 -10.658 -1.879 1.00 0.23 C ATOM 850 O MET A 58 2.708 -10.528 -3.056 1.00 0.29 O ATOM 851 CB MET A 58 4.036 -12.451 -1.384 1.00 0.29 C ATOM 852 CG MET A 58 4.124 -13.862 -1.963 1.00 0.42 C ATOM 853 SD MET A 58 3.616 -13.960 -3.693 1.00 1.78 S ATOM 854 CE MET A 58 3.812 -15.714 -3.997 1.00 1.53 C ATOM 0 H MET A 58 1.622 -12.910 -2.725 1.00 0.27 H new ATOM 0 HA MET A 58 2.437 -11.844 -0.089 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.540 -11.758 -2.058 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.574 -12.422 -0.437 1.00 0.29 H new ATOM 0 HG2 MET A 58 5.149 -14.221 -1.872 1.00 0.42 H new ATOM 0 HG3 MET A 58 3.499 -14.530 -1.370 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.537 -15.938 -5.028 1.00 1.53 H new ATOM 0 HE2 MET A 58 4.851 -15.999 -3.829 1.00 1.53 H new ATOM 0 HE3 MET A 58 3.168 -16.275 -3.319 1.00 1.53 H new ATOM 864 N MET A 59 1.820 -9.687 -1.193 1.00 0.20 N ATOM 865 CA MET A 59 1.374 -8.480 -1.862 1.00 0.21 C ATOM 866 C MET A 59 1.268 -7.309 -0.886 1.00 0.18 C ATOM 867 O MET A 59 0.813 -7.482 0.241 1.00 0.26 O ATOM 868 CB MET A 59 0.024 -8.765 -2.521 1.00 0.27 C ATOM 869 CG MET A 59 -0.149 -8.156 -3.901 1.00 0.64 C ATOM 870 SD MET A 59 -1.802 -8.418 -4.571 1.00 1.30 S ATOM 871 CE MET A 59 -1.859 -10.209 -4.641 1.00 0.62 C ATOM 0 H MET A 59 1.663 -9.705 -0.185 1.00 0.20 H new ATOM 0 HA MET A 59 2.104 -8.194 -2.619 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.108 -9.844 -2.596 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.768 -8.391 -1.872 1.00 0.27 H new ATOM 0 HG2 MET A 59 0.053 -7.086 -3.850 1.00 0.64 H new ATOM 0 HG3 MET A 59 0.587 -8.588 -4.580 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.371 -10.521 -5.551 1.00 0.62 H new ATOM 0 HE2 MET A 59 -0.844 -10.606 -4.641 1.00 0.62 H new ATOM 0 HE3 MET A 59 -2.397 -10.590 -3.773 1.00 0.62 H new ATOM 881 N LEU A 60 1.698 -6.128 -1.317 1.00 0.12 N ATOM 882 CA LEU A 60 1.539 -4.900 -0.520 1.00 0.10 C ATOM 883 C LEU A 60 0.530 -3.932 -1.150 1.00 0.10 C ATOM 884 O LEU A 60 0.291 -3.960 -2.356 1.00 0.13 O ATOM 885 CB LEU A 60 2.862 -4.155 -0.368 1.00 0.13 C ATOM 886 CG LEU A 60 3.632 -4.407 0.920 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.429 -5.690 0.860 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.552 -3.252 1.193 1.00 0.14 C ATOM 0 H LEU A 60 2.161 -5.987 -2.215 1.00 0.12 H new ATOM 0 HA LEU A 60 1.176 -5.226 0.455 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.503 -4.421 -1.208 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.664 -3.086 -0.445 1.00 0.13 H new ATOM 0 HG LEU A 60 2.906 -4.506 1.727 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.963 -5.831 1.800 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.754 -6.530 0.697 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.145 -5.635 0.040 1.00 0.12 H new ATOM 0 HD21 LEU A 60 5.102 -3.435 2.116 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.255 -3.144 0.367 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.968 -2.337 1.294 1.00 0.14 H new ATOM 900 N ARG A 61 -0.042 -3.066 -0.314 1.00 0.10 N ATOM 901 CA ARG A 61 -0.931 -1.995 -0.767 1.00 0.11 C ATOM 902 C ARG A 61 -0.848 -0.791 0.176 1.00 0.11 C ATOM 903 O ARG A 61 -1.266 -0.859 1.324 1.00 0.11 O ATOM 904 CB ARG A 61 -2.380 -2.489 -0.893 1.00 0.16 C ATOM 905 CG ARG A 61 -3.331 -1.469 -1.486 1.00 0.32 C ATOM 906 CD ARG A 61 -4.762 -1.976 -1.444 1.00 0.56 C ATOM 907 NE ARG A 61 -5.274 -2.044 -0.076 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.304 -2.802 0.307 1.00 1.67 C ATOM 909 NH1 ARG A 61 -6.894 -3.626 -0.545 1.00 1.46 N ATOM 910 NH2 ARG A 61 -6.738 -2.737 1.558 1.00 2.72 N ATOM 0 H ARG A 61 0.097 -3.087 0.696 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.600 -1.681 -1.757 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.394 -3.386 -1.512 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.742 -2.777 0.094 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -3.256 -0.532 -0.934 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -3.046 -1.256 -2.516 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -5.398 -1.319 -2.038 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -4.811 -2.965 -1.900 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.813 -1.474 0.633 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -6.562 -3.687 -1.508 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -7.680 -4.199 -0.239 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -6.285 -2.110 2.223 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -7.525 -3.314 1.856 1.00 2.72 H new ATOM 924 N LEU A 62 -0.319 0.312 -0.335 1.00 0.11 N ATOM 925 CA LEU A 62 -0.097 1.524 0.448 1.00 0.11 C ATOM 926 C LEU A 62 -1.263 2.501 0.275 1.00 0.15 C ATOM 927 O LEU A 62 -1.440 3.086 -0.788 1.00 0.19 O ATOM 928 CB LEU A 62 1.239 2.177 0.029 1.00 0.12 C ATOM 929 CG LEU A 62 2.496 1.399 0.434 1.00 0.20 C ATOM 930 CD1 LEU A 62 2.770 0.262 -0.541 1.00 0.90 C ATOM 931 CD2 LEU A 62 3.700 2.315 0.519 1.00 0.86 C ATOM 0 H LEU A 62 -0.030 0.394 -1.310 1.00 0.11 H new ATOM 0 HA LEU A 62 -0.041 1.259 1.504 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.241 2.302 -1.054 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.291 3.174 0.465 1.00 0.12 H new ATOM 0 HG LEU A 62 2.316 0.974 1.421 1.00 0.20 H new ATOM 0 HD11 LEU A 62 3.667 -0.274 -0.232 1.00 0.90 H new ATOM 0 HD12 LEU A 62 1.922 -0.423 -0.549 1.00 0.90 H new ATOM 0 HD13 LEU A 62 2.917 0.668 -1.542 1.00 0.90 H new ATOM 0 HD21 LEU A 62 4.577 1.737 0.808 1.00 0.86 H new ATOM 0 HD22 LEU A 62 3.874 2.778 -0.452 1.00 0.86 H new ATOM 0 HD23 LEU A 62 3.515 3.090 1.262 1.00 0.86 H new ATOM 943 N ILE A 63 -2.038 2.681 1.337 1.00 0.17 N ATOM 944 CA ILE A 63 -3.269 3.472 1.293 1.00 0.23 C ATOM 945 C ILE A 63 -2.971 4.934 1.559 1.00 0.21 C ATOM 946 O ILE A 63 -2.458 5.271 2.618 1.00 0.25 O ATOM 947 CB ILE A 63 -4.285 3.024 2.378 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.082 1.557 2.775 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.717 3.263 1.910 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.308 0.572 1.661 1.00 0.33 C ATOM 0 H ILE A 63 -1.834 2.284 2.254 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.690 3.323 0.299 1.00 0.23 H new ATOM 0 HB ILE A 63 -4.105 3.631 3.265 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.067 1.433 3.152 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.758 1.319 3.596 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.412 2.942 2.686 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.862 4.325 1.710 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.902 2.694 0.999 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.143 -0.440 2.031 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.331 0.663 1.297 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.614 0.778 0.846 1.00 0.33 H new ATOM 962 N GLY A 64 -3.306 5.801 0.620 1.00 0.27 N ATOM 963 CA GLY A 64 -3.080 7.219 0.831 1.00 0.30 C ATOM 964 C GLY A 64 -4.202 7.854 1.628 1.00 0.35 C ATOM 965 O GLY A 64 -5.312 7.326 1.666 1.00 0.48 O ATOM 0 H GLY A 64 -3.726 5.556 -0.277 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -2.135 7.363 1.355 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.989 7.720 -0.133 1.00 0.30 H new ATOM 969 N LYS A 65 -3.914 8.966 2.291 1.00 0.30 N ATOM 970 CA LYS A 65 -4.938 9.697 3.022 1.00 0.33 C ATOM 971 C LYS A 65 -5.930 10.324 2.055 1.00 0.38 C ATOM 972 O LYS A 65 -5.544 10.859 1.015 1.00 0.41 O ATOM 973 CB LYS A 65 -4.341 10.805 3.897 1.00 0.34 C ATOM 974 CG LYS A 65 -3.880 10.361 5.281 1.00 0.36 C ATOM 975 CD LYS A 65 -2.469 9.813 5.294 1.00 0.40 C ATOM 976 CE LYS A 65 -1.864 9.920 6.687 1.00 0.43 C ATOM 977 NZ LYS A 65 -0.452 9.464 6.734 1.00 1.15 N ATOM 0 H LYS A 65 -2.983 9.380 2.337 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.440 8.977 3.668 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.492 11.243 3.372 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.084 11.593 4.015 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -3.940 11.207 5.965 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.562 9.598 5.656 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -2.475 8.771 4.974 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -1.854 10.362 4.581 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -1.919 10.955 7.024 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -2.457 9.326 7.383 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -0.121 9.461 7.720 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -0.385 8.502 6.343 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 0.140 10.108 6.172 1.00 1.15 H new ATOM 991 N VAL A 66 -7.205 10.230 2.385 1.00 0.42 N ATOM 992 CA VAL A 66 -8.237 10.908 1.621 1.00 0.51 C ATOM 993 C VAL A 66 -8.719 12.119 2.398 1.00 0.57 C ATOM 994 O VAL A 66 -8.451 12.244 3.592 1.00 0.61 O ATOM 995 CB VAL A 66 -9.432 9.979 1.312 1.00 0.57 C ATOM 996 CG1 VAL A 66 -10.242 9.688 2.568 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.315 10.560 0.216 1.00 0.69 C ATOM 0 H VAL A 66 -7.551 9.690 3.178 1.00 0.42 H new ATOM 0 HA VAL A 66 -7.805 11.215 0.669 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.028 9.034 0.948 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -11.076 9.032 2.319 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.605 9.201 3.307 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.625 10.622 2.978 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.147 9.883 0.022 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -10.702 11.528 0.535 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -9.729 10.686 -0.695 1.00 0.69 H new ATOM 1294 N GLN A 85 -7.198 6.645 -2.389 1.00 0.51 N ATOM 1295 CA GLN A 85 -6.435 5.939 -3.393 1.00 0.52 C ATOM 1296 C GLN A 85 -5.276 5.220 -2.743 1.00 0.43 C ATOM 1297 O GLN A 85 -4.553 5.771 -1.917 1.00 0.54 O ATOM 1298 CB GLN A 85 -5.989 6.844 -4.559 1.00 0.62 C ATOM 1299 CG GLN A 85 -5.516 8.242 -4.185 1.00 0.85 C ATOM 1300 CD GLN A 85 -4.084 8.299 -3.683 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -3.909 8.351 -2.374 1.00 1.78 O flip ATOM 1302 NE2 GLN A 85 -3.142 8.351 -4.474 1.00 0.97 N flip ATOM 0 HA GLN A 85 -7.089 5.196 -3.850 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -5.183 6.341 -5.093 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -6.822 6.940 -5.256 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -5.610 8.891 -5.056 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -6.176 8.643 -3.416 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -3.316 8.308 -5.478 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -2.187 8.437 -4.125 1.00 0.97 H new ATOM 1311 N ARG A 86 -5.146 3.961 -3.071 1.00 0.31 N ATOM 1312 CA ARG A 86 -4.156 3.126 -2.442 1.00 0.27 C ATOM 1313 C ARG A 86 -3.310 2.430 -3.487 1.00 0.26 C ATOM 1314 O ARG A 86 -3.802 2.004 -4.530 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.831 2.135 -1.494 1.00 0.36 C ATOM 1316 CG ARG A 86 -6.075 1.491 -2.074 1.00 0.72 C ATOM 1317 CD ARG A 86 -6.868 0.763 -1.015 1.00 0.54 C ATOM 1318 NE ARG A 86 -8.054 0.108 -1.560 1.00 1.21 N ATOM 1319 CZ ARG A 86 -9.019 -0.426 -0.812 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -8.951 -0.370 0.513 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -10.058 -1.012 -1.391 1.00 2.29 N ATOM 0 H ARG A 86 -5.716 3.490 -3.773 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.486 3.746 -1.847 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -4.118 1.354 -1.230 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -5.096 2.651 -0.571 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -6.700 2.255 -2.536 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -5.791 0.793 -2.861 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -6.232 0.018 -0.537 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -7.169 1.469 -0.241 1.00 0.54 H new ATOM 0 HE ARG A 86 -8.149 0.056 -2.574 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -8.157 0.084 0.964 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -9.693 -0.781 1.080 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -10.118 -1.054 -2.408 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -10.797 -1.421 -0.819 1.00 2.29 H new ATOM 1335 N HIS A 87 -2.034 2.323 -3.189 1.00 0.19 N ATOM 1336 CA HIS A 87 -1.051 1.872 -4.146 1.00 0.18 C ATOM 1337 C HIS A 87 -0.682 0.426 -3.876 1.00 0.15 C ATOM 1338 O HIS A 87 -0.034 0.112 -2.887 1.00 0.14 O ATOM 1339 CB HIS A 87 0.172 2.783 -4.046 1.00 0.21 C ATOM 1340 CG HIS A 87 -0.147 4.217 -4.358 1.00 0.28 C ATOM 1341 ND1 HIS A 87 -0.565 4.647 -5.599 1.00 0.41 N ATOM 1342 CD2 HIS A 87 -0.161 5.313 -3.562 1.00 0.36 C ATOM 1343 CE1 HIS A 87 -0.822 5.941 -5.552 1.00 0.50 C ATOM 1344 NE2 HIS A 87 -0.587 6.369 -4.327 1.00 0.47 N ATOM 0 H HIS A 87 -1.649 2.548 -2.272 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.456 1.922 -5.157 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.587 2.718 -3.040 1.00 0.21 H new ATOM 0 HB3 HIS A 87 0.941 2.428 -4.732 1.00 0.21 H new ATOM 0 HD1 HIS A 87 -0.661 4.057 -6.425 1.00 0.41 H new ATOM 0 HD2 HIS A 87 0.113 5.349 -2.518 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -1.166 6.547 -6.377 1.00 0.50 H new ATOM 1353 N MET A 88 -1.081 -0.440 -4.780 1.00 0.16 N ATOM 1354 CA MET A 88 -0.943 -1.874 -4.587 1.00 0.15 C ATOM 1355 C MET A 88 0.138 -2.428 -5.489 1.00 0.20 C ATOM 1356 O MET A 88 0.050 -2.307 -6.711 1.00 0.30 O ATOM 1357 CB MET A 88 -2.272 -2.579 -4.887 1.00 0.20 C ATOM 1358 CG MET A 88 -2.223 -4.085 -4.679 1.00 0.23 C ATOM 1359 SD MET A 88 -3.704 -4.935 -5.277 1.00 0.32 S ATOM 1360 CE MET A 88 -4.938 -4.436 -4.072 1.00 0.42 C ATOM 0 H MET A 88 -1.509 -0.176 -5.667 1.00 0.16 H new ATOM 0 HA MET A 88 -0.666 -2.055 -3.548 1.00 0.15 H new ATOM 0 HB2 MET A 88 -3.049 -2.158 -4.249 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.559 -2.372 -5.918 1.00 0.20 H new ATOM 0 HG2 MET A 88 -1.349 -4.488 -5.191 1.00 0.23 H new ATOM 0 HG3 MET A 88 -2.095 -4.295 -3.617 1.00 0.23 H new ATOM 0 HE1 MET A 88 -5.901 -4.876 -4.333 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.639 -4.779 -3.082 1.00 0.42 H new ATOM 0 HE3 MET A 88 -5.024 -3.349 -4.068 1.00 0.42 H new ATOM 1370 N PHE A 89 1.164 -3.026 -4.903 1.00 0.18 N ATOM 1371 CA PHE A 89 2.181 -3.669 -5.689 1.00 0.28 C ATOM 1372 C PHE A 89 2.082 -5.168 -5.467 1.00 0.31 C ATOM 1373 O PHE A 89 1.801 -5.611 -4.354 1.00 0.43 O ATOM 1374 CB PHE A 89 3.561 -3.139 -5.303 1.00 0.34 C ATOM 1375 CG PHE A 89 3.700 -1.651 -5.462 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.193 -0.785 -4.507 1.00 0.93 C ATOM 1377 CD2 PHE A 89 4.349 -1.119 -6.559 1.00 0.81 C ATOM 1378 CE1 PHE A 89 3.329 0.585 -4.649 1.00 1.26 C ATOM 1379 CE2 PHE A 89 4.484 0.246 -6.705 1.00 1.17 C ATOM 1380 CZ PHE A 89 3.974 1.099 -5.751 1.00 1.33 C ATOM 0 H PHE A 89 1.306 -3.074 -3.894 1.00 0.18 H new ATOM 0 HA PHE A 89 2.035 -3.453 -6.747 1.00 0.28 H new ATOM 0 HB2 PHE A 89 3.767 -3.406 -4.266 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.315 -3.633 -5.915 1.00 0.34 H new ATOM 0 HD1 PHE A 89 2.685 -1.184 -3.641 1.00 0.93 H new ATOM 0 HD2 PHE A 89 4.755 -1.779 -7.311 1.00 0.81 H new ATOM 0 HE1 PHE A 89 2.930 1.249 -3.897 1.00 1.26 H new ATOM 0 HE2 PHE A 89 4.991 0.647 -7.570 1.00 1.17 H new ATOM 0 HZ PHE A 89 4.080 2.167 -5.867 1.00 1.33 H new ATOM 1390 N SER A 90 2.260 -5.948 -6.512 1.00 0.26 N ATOM 1391 CA SER A 90 2.198 -7.387 -6.374 1.00 0.26 C ATOM 1392 C SER A 90 3.596 -7.962 -6.243 1.00 0.23 C ATOM 1393 O SER A 90 4.463 -7.714 -7.074 1.00 0.24 O ATOM 1394 CB SER A 90 1.446 -8.023 -7.543 1.00 0.28 C ATOM 1395 OG SER A 90 0.118 -7.532 -7.624 1.00 0.94 O ATOM 0 H SER A 90 2.447 -5.614 -7.458 1.00 0.26 H new ATOM 0 HA SER A 90 1.643 -7.621 -5.465 1.00 0.26 H new ATOM 0 HB2 SER A 90 1.972 -7.814 -8.475 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.430 -9.106 -7.423 1.00 0.28 H new ATOM 0 HG SER A 90 -0.367 -7.763 -6.804 1.00 0.94 H new ATOM 1401 N PHE A 91 3.809 -8.711 -5.182 1.00 0.21 N ATOM 1402 CA PHE A 91 5.120 -9.267 -4.889 1.00 0.21 C ATOM 1403 C PHE A 91 5.103 -10.767 -5.154 1.00 0.23 C ATOM 1404 O PHE A 91 4.041 -11.342 -5.393 1.00 0.28 O ATOM 1405 CB PHE A 91 5.489 -8.959 -3.427 1.00 0.30 C ATOM 1406 CG PHE A 91 5.494 -7.478 -3.126 1.00 0.63 C ATOM 1407 CD1 PHE A 91 4.334 -6.727 -3.154 1.00 0.99 C ATOM 1408 CD2 PHE A 91 6.671 -6.842 -2.789 1.00 0.91 C ATOM 1409 CE1 PHE A 91 4.362 -5.373 -2.854 1.00 1.29 C ATOM 1410 CE2 PHE A 91 6.698 -5.501 -2.492 1.00 1.20 C ATOM 1411 CZ PHE A 91 5.462 -4.746 -2.620 1.00 1.33 C ATOM 0 H PHE A 91 3.088 -8.952 -4.502 1.00 0.21 H new ATOM 0 HA PHE A 91 5.875 -8.816 -5.533 1.00 0.21 H new ATOM 0 HB2 PHE A 91 4.781 -9.458 -2.765 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.474 -9.373 -3.210 1.00 0.30 H new ATOM 0 HD1 PHE A 91 3.397 -7.199 -3.412 1.00 0.99 H new ATOM 0 HD2 PHE A 91 7.589 -7.410 -2.758 1.00 0.91 H new ATOM 0 HE1 PHE A 91 3.431 -4.827 -2.815 1.00 1.29 H new ATOM 0 HE2 PHE A 91 7.611 -5.021 -2.173 1.00 1.20 H new ATOM 0 HZ PHE A 91 5.467 -3.671 -2.520 1.00 1.33 H new ATOM 1421 N ASN A 92 6.269 -11.394 -5.154 1.00 0.31 N ATOM 1422 CA ASN A 92 6.357 -12.807 -5.492 1.00 0.39 C ATOM 1423 C ASN A 92 7.074 -13.576 -4.398 1.00 0.35 C ATOM 1424 O ASN A 92 7.208 -14.798 -4.469 1.00 0.42 O ATOM 1425 CB ASN A 92 7.083 -13.002 -6.826 1.00 0.51 C ATOM 1426 CG ASN A 92 6.398 -12.295 -7.983 1.00 0.80 C ATOM 1427 OD1 ASN A 92 6.684 -11.136 -8.270 1.00 1.53 O ATOM 1428 ND2 ASN A 92 5.493 -12.987 -8.659 1.00 1.27 N ATOM 0 H ASN A 92 7.160 -10.953 -4.926 1.00 0.31 H new ATOM 0 HA ASN A 92 5.342 -13.193 -5.586 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.104 -12.632 -6.735 1.00 0.51 H new ATOM 0 HB3 ASN A 92 7.148 -14.068 -7.046 1.00 0.51 H new ATOM 0 HD21 ASN A 92 5.008 -12.559 -9.447 1.00 1.27 H new ATOM 0 HD22 ASN A 92 5.282 -13.948 -8.391 1.00 1.27 H new ATOM 1435 N ASN A 93 7.548 -12.860 -3.390 1.00 0.30 N ATOM 1436 CA ASN A 93 8.212 -13.490 -2.266 1.00 0.32 C ATOM 1437 C ASN A 93 7.648 -12.973 -0.953 1.00 0.28 C ATOM 1438 O ASN A 93 7.603 -11.764 -0.710 1.00 0.23 O ATOM 1439 CB ASN A 93 9.713 -13.237 -2.335 1.00 0.37 C ATOM 1440 CG ASN A 93 10.460 -13.918 -1.203 1.00 0.44 C ATOM 1441 OD1 ASN A 93 10.730 -13.309 -0.173 1.00 0.71 O ATOM 1442 ND2 ASN A 93 10.767 -15.190 -1.372 1.00 0.83 N ATOM 0 H ASN A 93 7.484 -11.844 -3.330 1.00 0.30 H new ATOM 0 HA ASN A 93 8.034 -14.564 -2.315 1.00 0.32 H new ATOM 0 HB2 ASN A 93 10.097 -13.596 -3.290 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.901 -12.164 -2.299 1.00 0.37 H new ATOM 0 HD21 ASN A 93 11.246 -15.702 -0.631 1.00 0.83 H new ATOM 0 HD22 ASN A 93 10.525 -15.662 -2.244 1.00 0.83 H new ATOM 1449 N ARG A 94 7.211 -13.911 -0.116 1.00 0.34 N ATOM 1450 CA ARG A 94 6.585 -13.596 1.161 1.00 0.37 C ATOM 1451 C ARG A 94 7.546 -12.859 2.083 1.00 0.30 C ATOM 1452 O ARG A 94 7.131 -11.996 2.848 1.00 0.27 O ATOM 1453 CB ARG A 94 6.083 -14.878 1.838 1.00 0.57 C ATOM 1454 CG ARG A 94 5.552 -14.669 3.244 1.00 0.90 C ATOM 1455 CD ARG A 94 4.296 -13.832 3.226 1.00 0.71 C ATOM 1456 NE ARG A 94 3.842 -13.491 4.572 1.00 0.99 N ATOM 1457 CZ ARG A 94 2.569 -13.289 4.902 1.00 1.35 C ATOM 1458 NH1 ARG A 94 1.614 -13.436 3.991 1.00 2.16 N ATOM 1459 NH2 ARG A 94 2.257 -12.948 6.147 1.00 1.70 N ATOM 0 H ARG A 94 7.282 -14.911 -0.306 1.00 0.34 H new ATOM 0 HA ARG A 94 5.737 -12.940 0.964 1.00 0.37 H new ATOM 0 HB2 ARG A 94 5.295 -15.315 1.225 1.00 0.57 H new ATOM 0 HB3 ARG A 94 6.898 -15.601 1.873 1.00 0.57 H new ATOM 0 HG2 ARG A 94 5.344 -15.634 3.706 1.00 0.90 H new ATOM 0 HG3 ARG A 94 6.311 -14.180 3.855 1.00 0.90 H new ATOM 0 HD2 ARG A 94 4.479 -12.917 2.663 1.00 0.71 H new ATOM 0 HD3 ARG A 94 3.507 -14.374 2.705 1.00 0.71 H new ATOM 0 HE ARG A 94 4.545 -13.402 5.305 1.00 0.99 H new ATOM 0 HH11 ARG A 94 1.856 -13.704 3.037 1.00 2.16 H new ATOM 0 HH12 ARG A 94 0.638 -13.281 4.245 1.00 2.16 H new ATOM 0 HH21 ARG A 94 2.992 -12.842 6.846 1.00 1.70 H new ATOM 0 HH22 ARG A 94 1.282 -12.792 6.404 1.00 1.70 H new ATOM 1473 N THR A 95 8.825 -13.181 1.993 1.00 0.30 N ATOM 1474 CA THR A 95 9.815 -12.557 2.854 1.00 0.27 C ATOM 1475 C THR A 95 10.066 -11.116 2.422 1.00 0.21 C ATOM 1476 O THR A 95 9.929 -10.192 3.216 1.00 0.18 O ATOM 1477 CB THR A 95 11.140 -13.332 2.844 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.931 -14.682 3.280 1.00 0.40 O ATOM 1479 CG2 THR A 95 12.155 -12.649 3.742 1.00 0.32 C ATOM 0 H THR A 95 9.201 -13.866 1.337 1.00 0.30 H new ATOM 0 HA THR A 95 9.417 -12.569 3.869 1.00 0.27 H new ATOM 0 HB THR A 95 11.524 -13.347 1.824 1.00 0.32 H new ATOM 0 HG1 THR A 95 11.783 -15.166 3.267 1.00 0.40 H new ATOM 0 HG21 THR A 95 13.090 -13.209 3.726 1.00 0.32 H new ATOM 0 HG22 THR A 95 12.333 -11.635 3.384 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.772 -12.612 4.762 1.00 0.32 H new ATOM 1487 N VAL A 96 10.432 -10.947 1.158 1.00 0.23 N ATOM 1488 CA VAL A 96 10.619 -9.628 0.558 1.00 0.21 C ATOM 1489 C VAL A 96 9.478 -8.694 0.902 1.00 0.19 C ATOM 1490 O VAL A 96 9.693 -7.624 1.459 1.00 0.19 O ATOM 1491 CB VAL A 96 10.700 -9.723 -0.978 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.851 -8.339 -1.593 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.854 -10.617 -1.391 1.00 0.29 C ATOM 0 H VAL A 96 10.608 -11.721 0.517 1.00 0.23 H new ATOM 0 HA VAL A 96 11.553 -9.237 0.962 1.00 0.21 H new ATOM 0 HB VAL A 96 9.772 -10.162 -1.346 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.906 -8.427 -2.678 1.00 0.28 H new ATOM 0 HG12 VAL A 96 9.992 -7.725 -1.322 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.763 -7.872 -1.220 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.899 -10.674 -2.479 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.788 -10.204 -1.011 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.705 -11.616 -0.981 1.00 0.29 H new ATOM 1503 N MET A 97 8.264 -9.107 0.578 1.00 0.19 N ATOM 1504 CA MET A 97 7.106 -8.267 0.811 1.00 0.19 C ATOM 1505 C MET A 97 6.881 -8.063 2.301 1.00 0.17 C ATOM 1506 O MET A 97 6.376 -7.027 2.716 1.00 0.19 O ATOM 1507 CB MET A 97 5.873 -8.868 0.140 1.00 0.21 C ATOM 1508 CG MET A 97 5.315 -10.107 0.818 1.00 0.22 C ATOM 1509 SD MET A 97 3.643 -9.883 1.452 1.00 0.29 S ATOM 1510 CE MET A 97 3.952 -9.249 3.089 1.00 0.17 C ATOM 0 H MET A 97 8.058 -10.012 0.156 1.00 0.19 H new ATOM 0 HA MET A 97 7.289 -7.288 0.368 1.00 0.19 H new ATOM 0 HB2 MET A 97 5.092 -8.109 0.103 1.00 0.21 H new ATOM 0 HB3 MET A 97 6.124 -9.118 -0.891 1.00 0.21 H new ATOM 0 HG2 MET A 97 5.319 -10.934 0.108 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.973 -10.390 1.640 1.00 0.22 H new ATOM 0 HE1 MET A 97 3.051 -9.349 3.694 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.763 -9.812 3.550 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.231 -8.197 3.025 1.00 0.17 H new ATOM 1520 N ASP A 98 7.285 -9.036 3.109 1.00 0.16 N ATOM 1521 CA ASP A 98 7.177 -8.902 4.556 1.00 0.16 C ATOM 1522 C ASP A 98 8.121 -7.813 5.020 1.00 0.15 C ATOM 1523 O ASP A 98 7.801 -7.013 5.898 1.00 0.22 O ATOM 1524 CB ASP A 98 7.523 -10.220 5.250 1.00 0.21 C ATOM 1525 CG ASP A 98 7.581 -10.083 6.753 1.00 0.30 C ATOM 1526 OD1 ASP A 98 6.522 -10.180 7.405 1.00 0.38 O ATOM 1527 OD2 ASP A 98 8.685 -9.890 7.295 1.00 0.39 O ATOM 0 H ASP A 98 7.687 -9.918 2.791 1.00 0.16 H new ATOM 0 HA ASP A 98 6.151 -8.641 4.815 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.780 -10.973 4.985 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.485 -10.579 4.883 1.00 0.21 H new ATOM 1532 N ASN A 99 9.264 -7.772 4.363 1.00 0.12 N ATOM 1533 CA ASN A 99 10.320 -6.825 4.671 1.00 0.13 C ATOM 1534 C ASN A 99 9.914 -5.444 4.206 1.00 0.15 C ATOM 1535 O ASN A 99 10.008 -4.470 4.945 1.00 0.24 O ATOM 1536 CB ASN A 99 11.609 -7.251 3.964 1.00 0.22 C ATOM 1537 CG ASN A 99 12.202 -8.523 4.532 1.00 0.71 C ATOM 1538 OD1 ASN A 99 12.718 -9.375 3.659 1.00 1.55 O flip ATOM 1539 ND2 ASN A 99 12.167 -8.754 5.739 1.00 0.50 N flip ATOM 0 H ASN A 99 9.489 -8.401 3.592 1.00 0.12 H new ATOM 0 HA ASN A 99 10.489 -6.805 5.748 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.405 -7.394 2.903 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.342 -6.448 4.042 1.00 0.22 H new ATOM 0 HD21 ASN A 99 11.760 -8.070 6.378 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.545 -9.629 6.102 1.00 0.50 H new ATOM 1546 N ILE A 100 9.452 -5.385 2.971 1.00 0.12 N ATOM 1547 CA ILE A 100 8.937 -4.160 2.385 1.00 0.12 C ATOM 1548 C ILE A 100 7.811 -3.599 3.249 1.00 0.11 C ATOM 1549 O ILE A 100 7.845 -2.437 3.657 1.00 0.13 O ATOM 1550 CB ILE A 100 8.397 -4.431 0.966 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.520 -4.890 0.046 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.735 -3.193 0.389 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.579 -3.838 -0.158 1.00 0.11 C ATOM 0 H ILE A 100 9.423 -6.188 2.343 1.00 0.12 H new ATOM 0 HA ILE A 100 9.751 -3.437 2.330 1.00 0.12 H new ATOM 0 HB ILE A 100 7.650 -5.222 1.040 1.00 0.11 H new ATOM 0 HG12 ILE A 100 9.981 -5.786 0.463 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.100 -5.168 -0.921 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.363 -3.412 -0.612 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.904 -2.894 1.027 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.462 -2.383 0.337 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.352 -4.224 -0.823 1.00 0.11 H new ATOM 0 HD12 ILE A 100 10.129 -2.950 -0.602 1.00 0.11 H new ATOM 0 HD13 ILE A 100 11.023 -3.578 0.803 1.00 0.11 H new ATOM 1565 N LYS A 101 6.822 -4.446 3.534 1.00 0.11 N ATOM 1566 CA LYS A 101 5.697 -4.065 4.368 1.00 0.12 C ATOM 1567 C LYS A 101 6.162 -3.555 5.727 1.00 0.11 C ATOM 1568 O LYS A 101 5.746 -2.488 6.177 1.00 0.14 O ATOM 1569 CB LYS A 101 4.759 -5.260 4.574 1.00 0.18 C ATOM 1570 CG LYS A 101 3.822 -5.104 5.761 1.00 0.89 C ATOM 1571 CD LYS A 101 3.487 -6.445 6.404 1.00 0.75 C ATOM 1572 CE LYS A 101 4.640 -6.996 7.241 1.00 0.42 C ATOM 1573 NZ LYS A 101 4.898 -6.183 8.460 1.00 1.11 N ATOM 0 H LYS A 101 6.783 -5.407 3.193 1.00 0.11 H new ATOM 0 HA LYS A 101 5.166 -3.263 3.856 1.00 0.12 H new ATOM 0 HB2 LYS A 101 4.166 -5.405 3.671 1.00 0.18 H new ATOM 0 HB3 LYS A 101 5.357 -6.161 4.711 1.00 0.18 H new ATOM 0 HG2 LYS A 101 4.282 -4.451 6.503 1.00 0.89 H new ATOM 0 HG3 LYS A 101 2.902 -4.618 5.435 1.00 0.89 H new ATOM 0 HD2 LYS A 101 2.606 -6.332 7.035 1.00 0.75 H new ATOM 0 HD3 LYS A 101 3.231 -7.164 5.626 1.00 0.75 H new ATOM 0 HE2 LYS A 101 4.415 -8.022 7.533 1.00 0.42 H new ATOM 0 HE3 LYS A 101 5.543 -7.029 6.632 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 5.700 -6.588 8.984 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 5.123 -5.206 8.184 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 4.052 -6.186 9.065 1.00 1.11 H new ATOM 1587 N MET A 102 7.026 -4.323 6.380 1.00 0.09 N ATOM 1588 CA MET A 102 7.462 -3.987 7.726 1.00 0.09 C ATOM 1589 C MET A 102 8.326 -2.733 7.705 1.00 0.09 C ATOM 1590 O MET A 102 8.407 -2.016 8.692 1.00 0.12 O ATOM 1591 CB MET A 102 8.203 -5.171 8.371 1.00 0.10 C ATOM 1592 CG MET A 102 9.621 -5.388 7.873 1.00 0.16 C ATOM 1593 SD MET A 102 10.866 -4.610 8.921 1.00 0.88 S ATOM 1594 CE MET A 102 10.722 -5.609 10.401 1.00 1.17 C ATOM 0 H MET A 102 7.435 -5.177 6.001 1.00 0.09 H new ATOM 0 HA MET A 102 6.583 -3.779 8.336 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.232 -5.018 9.450 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.628 -6.080 8.194 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.820 -6.458 7.816 1.00 0.16 H new ATOM 0 HG3 MET A 102 9.709 -4.993 6.861 1.00 0.16 H new ATOM 0 HE1 MET A 102 11.667 -5.593 10.944 1.00 1.17 H new ATOM 0 HE2 MET A 102 9.932 -5.208 11.035 1.00 1.17 H new ATOM 0 HE3 MET A 102 10.480 -6.635 10.125 1.00 1.17 H new ATOM 1604 N THR A 103 8.940 -2.467 6.564 1.00 0.08 N ATOM 1605 CA THR A 103 9.707 -1.254 6.377 1.00 0.08 C ATOM 1606 C THR A 103 8.783 -0.047 6.379 1.00 0.08 C ATOM 1607 O THR A 103 8.982 0.914 7.124 1.00 0.09 O ATOM 1608 CB THR A 103 10.476 -1.299 5.044 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.492 -2.305 5.096 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.099 0.038 4.728 1.00 0.11 C ATOM 0 H THR A 103 8.920 -3.082 5.750 1.00 0.08 H new ATOM 0 HA THR A 103 10.420 -1.172 7.198 1.00 0.08 H new ATOM 0 HB THR A 103 9.765 -1.541 4.254 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.079 -3.179 5.258 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.635 -0.025 3.781 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.318 0.795 4.653 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.795 0.312 5.521 1.00 0.11 H new ATOM 1618 N LEU A 104 7.755 -0.125 5.550 1.00 0.08 N ATOM 1619 CA LEU A 104 6.839 0.980 5.364 1.00 0.09 C ATOM 1620 C LEU A 104 5.997 1.214 6.603 1.00 0.11 C ATOM 1621 O LEU A 104 6.009 2.299 7.157 1.00 0.13 O ATOM 1622 CB LEU A 104 5.915 0.709 4.179 1.00 0.09 C ATOM 1623 CG LEU A 104 6.588 0.465 2.829 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.685 -0.323 1.913 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.942 1.763 2.167 1.00 0.11 C ATOM 0 H LEU A 104 7.536 -0.951 4.993 1.00 0.08 H new ATOM 0 HA LEU A 104 7.437 1.871 5.172 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.302 -0.161 4.416 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.238 1.557 4.074 1.00 0.09 H new ATOM 0 HG LEU A 104 7.498 -0.105 3.016 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.186 -0.484 0.958 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.455 -1.286 2.369 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.761 0.231 1.749 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.420 1.564 1.208 1.00 0.11 H new ATOM 0 HD22 LEU A 104 6.037 2.349 2.007 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.627 2.322 2.805 1.00 0.11 H new ATOM 1637 N GLN A 105 5.252 0.194 7.020 1.00 0.12 N ATOM 1638 CA GLN A 105 4.354 0.308 8.178 1.00 0.18 C ATOM 1639 C GLN A 105 5.053 0.863 9.414 1.00 0.18 C ATOM 1640 O GLN A 105 4.405 1.482 10.259 1.00 0.22 O ATOM 1641 CB GLN A 105 3.701 -1.031 8.526 1.00 0.28 C ATOM 1642 CG GLN A 105 2.694 -1.499 7.496 1.00 0.39 C ATOM 1643 CD GLN A 105 1.841 -2.665 7.953 1.00 0.64 C ATOM 1644 OE1 GLN A 105 1.592 -2.843 9.138 1.00 1.45 O ATOM 1645 NE2 GLN A 105 1.365 -3.454 6.999 1.00 0.99 N ATOM 0 H GLN A 105 5.249 -0.724 6.576 1.00 0.12 H new ATOM 0 HA GLN A 105 3.582 1.016 7.877 1.00 0.18 H new ATOM 0 HB2 GLN A 105 4.478 -1.788 8.633 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.206 -0.944 9.493 1.00 0.28 H new ATOM 0 HG2 GLN A 105 2.042 -0.665 7.236 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.225 -1.784 6.588 1.00 0.39 H new ATOM 0 HE21 GLN A 105 1.597 -3.271 6.023 1.00 0.99 H new ATOM 0 HE22 GLN A 105 0.767 -4.244 7.242 1.00 0.99 H new ATOM 1654 N GLN A 106 6.364 0.671 9.516 1.00 0.17 N ATOM 1655 CA GLN A 106 7.112 1.246 10.608 1.00 0.20 C ATOM 1656 C GLN A 106 7.088 2.752 10.463 1.00 0.20 C ATOM 1657 O GLN A 106 6.737 3.475 11.386 1.00 0.36 O ATOM 1658 CB GLN A 106 8.541 0.741 10.593 1.00 0.25 C ATOM 1659 CG GLN A 106 8.737 -0.604 11.270 1.00 0.30 C ATOM 1660 CD GLN A 106 10.192 -1.030 11.289 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.096 -0.198 11.377 1.00 0.65 O ATOM 1662 NE2 GLN A 106 10.435 -2.324 11.176 1.00 0.47 N ATOM 0 H GLN A 106 6.919 0.125 8.857 1.00 0.17 H new ATOM 0 HA GLN A 106 6.662 0.956 11.557 1.00 0.20 H new ATOM 0 HB2 GLN A 106 8.876 0.666 9.559 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.179 1.477 11.082 1.00 0.25 H new ATOM 0 HG2 GLN A 106 8.362 -0.552 12.292 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.146 -1.359 10.752 1.00 0.30 H new ATOM 0 HE21 GLN A 106 9.661 -2.984 11.105 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.397 -2.663 11.159 1.00 0.47 H new ATOM 1671 N ILE A 107 7.412 3.188 9.257 1.00 0.13 N ATOM 1672 CA ILE A 107 7.378 4.588 8.871 1.00 0.13 C ATOM 1673 C ILE A 107 5.982 5.157 9.057 1.00 0.14 C ATOM 1674 O ILE A 107 5.809 6.260 9.562 1.00 0.17 O ATOM 1675 CB ILE A 107 7.748 4.717 7.381 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.123 4.105 7.105 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.696 6.164 6.945 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.424 3.908 5.638 1.00 0.14 C ATOM 0 H ILE A 107 7.711 2.567 8.505 1.00 0.13 H new ATOM 0 HA ILE A 107 8.085 5.133 9.496 1.00 0.13 H new ATOM 0 HB ILE A 107 7.015 4.161 6.796 1.00 0.13 H new ATOM 0 HG12 ILE A 107 9.889 4.747 7.540 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.189 3.142 7.612 1.00 0.13 H new ATOM 0 HG21 ILE A 107 7.960 6.236 5.890 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.689 6.553 7.094 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.402 6.748 7.536 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.416 3.470 5.526 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.681 3.241 5.201 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.392 4.871 5.128 1.00 0.14 H new ATOM 1690 N ILE A 108 4.988 4.395 8.646 1.00 0.13 N ATOM 1691 CA ILE A 108 3.615 4.857 8.701 1.00 0.17 C ATOM 1692 C ILE A 108 3.161 5.020 10.144 1.00 0.23 C ATOM 1693 O ILE A 108 2.636 6.064 10.515 1.00 0.29 O ATOM 1694 CB ILE A 108 2.682 3.898 7.945 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.392 3.454 6.664 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.357 4.579 7.645 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.491 3.128 5.503 1.00 0.15 C ATOM 0 H ILE A 108 5.105 3.454 8.271 1.00 0.13 H new ATOM 0 HA ILE A 108 3.567 5.831 8.213 1.00 0.17 H new ATOM 0 HB ILE A 108 2.459 3.021 8.553 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.079 4.243 6.358 1.00 0.18 H new ATOM 0 HG13 ILE A 108 3.996 2.576 6.890 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.706 3.888 7.109 1.00 0.26 H new ATOM 0 HG22 ILE A 108 0.881 4.876 8.579 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.533 5.462 7.031 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.095 2.825 4.648 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.820 2.315 5.780 1.00 0.15 H new ATOM 0 HD13 ILE A 108 1.904 4.008 5.239 1.00 0.15 H new ATOM 1709 N SER A 109 3.393 4.001 10.961 1.00 0.28 N ATOM 1710 CA SER A 109 3.123 4.089 12.395 1.00 0.37 C ATOM 1711 C SER A 109 3.960 5.212 13.021 1.00 0.37 C ATOM 1712 O SER A 109 3.580 5.810 14.030 1.00 0.43 O ATOM 1713 CB SER A 109 3.425 2.747 13.071 1.00 0.45 C ATOM 1714 OG SER A 109 3.078 2.769 14.446 1.00 1.22 O ATOM 0 H SER A 109 3.768 3.102 10.658 1.00 0.28 H new ATOM 0 HA SER A 109 2.069 4.321 12.545 1.00 0.37 H new ATOM 0 HB2 SER A 109 2.874 1.953 12.568 1.00 0.45 H new ATOM 0 HB3 SER A 109 4.485 2.515 12.966 1.00 0.45 H new ATOM 0 HG SER A 109 3.281 1.899 14.849 1.00 1.22 H new ATOM 1720 N ARG A 110 5.087 5.506 12.386 1.00 0.33 N ATOM 1721 CA ARG A 110 5.976 6.574 12.812 1.00 0.35 C ATOM 1722 C ARG A 110 5.382 7.932 12.474 1.00 0.38 C ATOM 1723 O ARG A 110 5.599 8.914 13.183 1.00 0.48 O ATOM 1724 CB ARG A 110 7.339 6.395 12.142 1.00 0.34 C ATOM 1725 CG ARG A 110 8.276 5.497 12.896 1.00 1.27 C ATOM 1726 CD ARG A 110 9.536 5.269 12.092 1.00 1.25 C ATOM 1727 NE ARG A 110 10.466 4.359 12.756 1.00 2.39 N ATOM 1728 CZ ARG A 110 11.463 3.735 12.129 1.00 2.70 C ATOM 1729 NH1 ARG A 110 11.685 3.963 10.840 1.00 1.97 N ATOM 1730 NH2 ARG A 110 12.240 2.890 12.791 1.00 3.79 N ATOM 0 H ARG A 110 5.410 5.007 11.557 1.00 0.33 H new ATOM 0 HA ARG A 110 6.102 6.527 13.894 1.00 0.35 H new ATOM 0 HB2 ARG A 110 7.190 5.990 11.141 1.00 0.34 H new ATOM 0 HB3 ARG A 110 7.806 7.373 12.024 1.00 0.34 H new ATOM 0 HG2 ARG A 110 8.525 5.944 13.858 1.00 1.27 H new ATOM 0 HG3 ARG A 110 7.790 4.544 13.104 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.272 4.864 11.115 1.00 1.25 H new ATOM 0 HD3 ARG A 110 10.030 6.225 11.918 1.00 1.25 H new ATOM 0 HE ARG A 110 10.346 4.192 13.755 1.00 2.39 H new ATOM 0 HH11 ARG A 110 11.092 4.616 10.328 1.00 1.97 H new ATOM 0 HH12 ARG A 110 12.448 3.485 10.362 1.00 1.97 H new ATOM 0 HH21 ARG A 110 12.076 2.716 13.783 1.00 3.79 H new ATOM 0 HH22 ARG A 110 13.002 2.414 12.309 1.00 3.79 H new ATOM 1744 N TYR A 111 4.610 7.978 11.398 1.00 0.34 N ATOM 1745 CA TYR A 111 3.997 9.218 10.965 1.00 0.41 C ATOM 1746 C TYR A 111 2.579 9.372 11.494 1.00 0.49 C ATOM 1747 O TYR A 111 2.060 10.480 11.558 1.00 0.60 O ATOM 1748 CB TYR A 111 4.025 9.341 9.452 1.00 0.37 C ATOM 1749 CG TYR A 111 5.344 9.874 8.957 1.00 0.38 C ATOM 1750 CD1 TYR A 111 5.667 11.218 9.077 1.00 0.48 C ATOM 1751 CD2 TYR A 111 6.271 9.027 8.398 1.00 0.34 C ATOM 1752 CE1 TYR A 111 6.887 11.695 8.640 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.495 9.488 7.960 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.799 10.824 8.083 1.00 0.48 C ATOM 1755 OH TYR A 111 9.017 11.290 7.653 1.00 0.55 O ATOM 0 H TYR A 111 4.396 7.171 10.812 1.00 0.34 H new ATOM 0 HA TYR A 111 4.589 10.030 11.387 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.837 8.365 9.005 1.00 0.37 H new ATOM 0 HB3 TYR A 111 3.221 10.001 9.126 1.00 0.37 H new ATOM 0 HD1 TYR A 111 4.955 11.900 9.518 1.00 0.48 H new ATOM 0 HD2 TYR A 111 6.036 7.978 8.300 1.00 0.34 H new ATOM 0 HE1 TYR A 111 7.125 12.744 8.734 1.00 0.53 H new ATOM 0 HE2 TYR A 111 8.209 8.805 7.524 1.00 0.40 H new ATOM 0 HH TYR A 111 9.541 10.547 7.287 1.00 0.55 H new ATOM 2059 N PHE B 261 -5.522 -7.794 2.311 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.341 -7.593 3.134 1.00 0.48 C ATOM 2061 C PHE B 261 -4.708 -7.273 4.577 1.00 0.66 C ATOM 2062 O PHE B 261 -5.877 -7.046 4.901 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.519 -6.449 2.571 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.056 -6.644 1.160 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.331 -7.818 0.502 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -2.311 -5.678 0.514 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -2.870 -8.025 -0.781 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -1.837 -5.881 -0.758 1.00 0.75 C ATOM 2069 CZ PHE B 261 -2.284 -6.950 -1.476 1.00 0.62 C ATOM 0 HA PHE B 261 -3.767 -8.520 3.123 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -4.111 -5.535 2.621 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.647 -6.299 3.207 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.912 -8.584 0.993 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -2.098 -4.747 1.018 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -2.957 -8.996 -1.245 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -1.116 -5.200 -1.186 1.00 0.75 H new ATOM 0 HZ PHE B 261 -2.191 -6.972 -2.552 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.703 -7.240 5.435 1.00 0.55 N ATOM 2080 CA VAL B 262 -3.901 -6.902 6.831 1.00 0.67 C ATOM 2081 C VAL B 262 -2.783 -5.978 7.316 1.00 0.54 C ATOM 2082 O VAL B 262 -1.654 -6.038 6.820 1.00 0.50 O ATOM 2083 CB VAL B 262 -3.955 -8.176 7.709 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -2.600 -8.865 7.764 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -4.455 -7.850 9.109 1.00 1.14 C ATOM 0 H VAL B 262 -2.736 -7.445 5.185 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.856 -6.384 6.921 1.00 0.67 H new ATOM 0 HB VAL B 262 -4.661 -8.867 7.249 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -2.670 -9.756 8.388 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -2.296 -9.150 6.757 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -1.862 -8.183 8.187 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -4.484 -8.761 9.706 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -3.783 -7.131 9.577 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -5.457 -7.424 9.048 1.00 1.14 H new ATOM 2095 N GLU B 263 -3.116 -5.101 8.251 1.00 0.57 N ATOM 2096 CA GLU B 263 -2.135 -4.221 8.864 1.00 0.55 C ATOM 2097 C GLU B 263 -1.373 -4.998 9.934 1.00 0.56 C ATOM 2098 O GLU B 263 -1.975 -5.530 10.869 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.844 -3.015 9.487 1.00 0.73 C ATOM 2100 CG GLU B 263 -1.972 -1.780 9.639 1.00 1.21 C ATOM 2101 CD GLU B 263 -2.680 -0.669 10.387 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -3.740 -0.211 9.913 1.00 2.20 O ATOM 2103 OE2 GLU B 263 -2.193 -0.257 11.460 1.00 2.24 O ATOM 0 H GLU B 263 -4.066 -4.980 8.603 1.00 0.57 H new ATOM 0 HA GLU B 263 -1.434 -3.862 8.111 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -3.708 -2.761 8.873 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -3.223 -3.300 10.469 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -1.057 -2.046 10.168 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -1.677 -1.422 8.653 1.00 1.21 H new