USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=31 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 101 LYS NZ :NH3+ -138:sc= 0.0842 (180deg=-0.277) USER MOD Set 1.2: A 105 GLN : amide:sc= 0.509 K(o=0.59,f=-2.4) USER MOD Set 2.1: A 102 MET CE :methyl 157:sc= -0.172 (180deg=-0.804) USER MOD Set 2.2: A 106 GLN : amide:sc= -0.183 K(o=-0.36,f=-0.86) USER MOD Set 3.1: A 93 ASN : amide:sc= 0.525 K(o=0.53,f=-9.4!) USER MOD Set 3.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.557 F(o=-1.1,f=-0.56) 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 USER MOD Single : A 19 ASN :FLIP amide:sc= -1.64 F(o=-2.6!,f=-1.6) USER MOD Single : A 23 SER OG : rot 109:sc= 1.17 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -45:sc= 0.0347 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0.926) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.328 USER MOD Single : A 43 SER OG : rot 104:sc= 0.0154 USER MOD Single : A 44 THR OG1 : rot -14:sc= 0.373 USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.16) USER MOD Single : A 49 GLN : amide:sc= -0.061 X(o=-0.061,f=-0.36) USER MOD Single : A 51 THR OG1 : rot 7:sc= -1.3! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -104:sc= 0.654 USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= -0.0649 (180deg=-0.356) USER MOD Single : A 58 MET CE :methyl -162:sc= 0 (180deg=-0.24) USER MOD Single : A 59 MET CE :methyl -124:sc= 0 (180deg=-0.768) USER MOD Single : A 65 LYS NZ :NH3+ -105:sc= 0.666 (180deg=-0.263) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.329 F(o=-1.7!,f=-0.33) USER MOD Single : A 87 HIS : no HD1:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 88 MET CE :methyl -165:sc= -2.84! (180deg=-3.43) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.55 X(o=-0.55,f=-0.24) USER MOD Single : A 97 MET CE :methyl -160:sc= -3.22! (180deg=-5.06!) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.639 F(o=-2.1!,f=-0.64) USER MOD Single : A 103 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.177 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 14.529 -2.919 2.755 1.00 0.35 N ATOM 29 CA HIS A 3 13.977 -1.621 2.382 1.00 0.24 C ATOM 30 C HIS A 3 13.869 -1.507 0.864 1.00 0.16 C ATOM 31 O HIS A 3 13.771 -0.414 0.313 1.00 0.19 O ATOM 32 CB HIS A 3 14.865 -0.494 2.928 1.00 0.32 C ATOM 33 CG HIS A 3 14.999 -0.488 4.424 1.00 0.71 C ATOM 34 ND1 HIS A 3 14.434 0.309 5.361 1.00 1.12 N flip ATOM 35 CD2 HIS A 3 15.788 -1.385 5.117 1.00 1.43 C flip ATOM 36 CE1 HIS A 3 14.881 -0.118 6.585 1.00 1.64 C flip ATOM 37 NE2 HIS A 3 15.696 -1.140 6.411 1.00 1.85 N flip ATOM 0 HA HIS A 3 12.980 -1.530 2.813 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.857 -0.581 2.486 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.456 0.464 2.607 1.00 0.32 H new ATOM 0 HD2 HIS A 3 16.387 -2.165 4.670 1.00 1.43 H new ATOM 0 HE1 HIS A 3 14.610 0.313 7.537 1.00 1.64 H new ATOM 0 HE2 HIS A 3 16.174 -1.654 7.151 1.00 1.85 H new ATOM 46 N SER A 4 13.884 -2.649 0.207 1.00 0.14 N ATOM 47 CA SER A 4 13.826 -2.722 -1.247 1.00 0.13 C ATOM 48 C SER A 4 13.432 -4.137 -1.676 1.00 0.15 C ATOM 49 O SER A 4 13.728 -5.107 -0.976 1.00 0.24 O ATOM 50 CB SER A 4 15.179 -2.332 -1.851 1.00 0.17 C ATOM 51 OG SER A 4 16.216 -3.182 -1.377 1.00 0.95 O ATOM 0 H SER A 4 13.937 -3.559 0.665 1.00 0.14 H new ATOM 0 HA SER A 4 13.075 -2.022 -1.612 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.126 -2.390 -2.938 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.409 -1.297 -1.598 1.00 0.17 H new ATOM 0 HG SER A 4 17.069 -2.913 -1.779 1.00 0.95 H new ATOM 57 N GLY A 5 12.751 -4.249 -2.805 1.00 0.14 N ATOM 58 CA GLY A 5 12.320 -5.539 -3.305 1.00 0.15 C ATOM 59 C GLY A 5 11.603 -5.391 -4.625 1.00 0.15 C ATOM 60 O GLY A 5 10.937 -4.390 -4.849 1.00 0.16 O ATOM 0 H GLY A 5 12.486 -3.458 -3.392 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.183 -6.194 -3.426 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.660 -6.013 -2.579 1.00 0.15 H new ATOM 64 N ALA A 6 11.731 -6.368 -5.505 1.00 0.16 N ATOM 65 CA ALA A 6 11.150 -6.256 -6.836 1.00 0.17 C ATOM 66 C ALA A 6 9.643 -6.550 -6.822 1.00 0.21 C ATOM 67 O ALA A 6 9.227 -7.667 -6.505 1.00 0.43 O ATOM 68 CB ALA A 6 11.854 -7.181 -7.810 1.00 0.21 C ATOM 0 H ALA A 6 12.227 -7.241 -5.327 1.00 0.16 H new ATOM 0 HA ALA A 6 11.289 -5.226 -7.165 1.00 0.17 H new ATOM 0 HB1 ALA A 6 11.404 -7.081 -8.797 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.910 -6.917 -7.864 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.755 -8.212 -7.469 1.00 0.21 H new ATOM 74 N ALA A 7 8.831 -5.558 -7.184 1.00 0.11 N ATOM 75 CA ALA A 7 7.372 -5.706 -7.154 1.00 0.12 C ATOM 76 C ALA A 7 6.757 -5.475 -8.528 1.00 0.12 C ATOM 77 O ALA A 7 7.340 -4.826 -9.385 1.00 0.13 O ATOM 78 CB ALA A 7 6.738 -4.742 -6.157 1.00 0.12 C ATOM 0 H ALA A 7 9.155 -4.644 -7.501 1.00 0.11 H new ATOM 0 HA ALA A 7 7.169 -6.731 -6.843 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.656 -4.876 -6.158 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.127 -4.943 -5.159 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.977 -3.717 -6.440 1.00 0.12 H new ATOM 84 N ILE A 8 5.565 -6.005 -8.710 1.00 0.15 N ATOM 85 CA ILE A 8 4.803 -5.849 -9.936 1.00 0.19 C ATOM 86 C ILE A 8 3.776 -4.750 -9.750 1.00 0.22 C ATOM 87 O ILE A 8 3.024 -4.747 -8.771 1.00 0.26 O ATOM 88 CB ILE A 8 4.068 -7.160 -10.328 1.00 0.23 C ATOM 89 CG1 ILE A 8 5.049 -8.286 -10.690 1.00 0.26 C ATOM 90 CG2 ILE A 8 3.110 -6.909 -11.479 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.783 -8.880 -9.506 1.00 0.25 C ATOM 0 H ILE A 8 5.090 -6.564 -8.002 1.00 0.15 H new ATOM 0 HA ILE A 8 5.502 -5.596 -10.734 1.00 0.19 H new ATOM 0 HB ILE A 8 3.502 -7.486 -9.455 1.00 0.23 H new ATOM 0 HG12 ILE A 8 4.501 -9.080 -11.198 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.781 -7.900 -11.399 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.604 -7.838 -11.740 1.00 0.29 H new ATOM 0 HG22 ILE A 8 2.371 -6.165 -11.182 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.666 -6.544 -12.342 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.454 -9.667 -9.851 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.362 -8.102 -9.009 1.00 0.25 H new ATOM 0 HD13 ILE A 8 5.062 -9.300 -8.804 1.00 0.25 H new ATOM 103 N PHE A 9 3.755 -3.817 -10.682 1.00 0.28 N ATOM 104 CA PHE A 9 2.834 -2.706 -10.621 1.00 0.34 C ATOM 105 C PHE A 9 2.281 -2.415 -12.007 1.00 0.46 C ATOM 106 O PHE A 9 3.016 -1.981 -12.885 1.00 0.52 O ATOM 107 CB PHE A 9 3.546 -1.481 -10.046 1.00 0.35 C ATOM 108 CG PHE A 9 2.729 -0.224 -10.027 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.748 -0.034 -9.070 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.960 0.778 -10.955 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.014 1.132 -9.039 1.00 0.45 C ATOM 112 CE2 PHE A 9 2.225 1.944 -10.931 1.00 0.56 C ATOM 113 CZ PHE A 9 1.251 2.122 -9.973 1.00 0.52 C ATOM 0 H PHE A 9 4.371 -3.810 -11.495 1.00 0.28 H new ATOM 0 HA PHE A 9 1.998 -2.958 -9.968 1.00 0.34 H new ATOM 0 HB2 PHE A 9 3.861 -1.707 -9.027 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.451 -1.300 -10.626 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.556 -0.807 -8.340 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.725 0.644 -11.706 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.254 1.272 -8.285 1.00 0.45 H new ATOM 0 HE2 PHE A 9 2.412 2.717 -11.662 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.673 3.034 -9.952 1.00 0.52 H new ATOM 123 N GLU A 10 0.989 -2.672 -12.185 1.00 0.58 N ATOM 124 CA GLU A 10 0.319 -2.540 -13.479 1.00 0.73 C ATOM 125 C GLU A 10 0.797 -3.617 -14.435 1.00 0.64 C ATOM 126 O GLU A 10 1.124 -3.356 -15.594 1.00 0.67 O ATOM 127 CB GLU A 10 0.524 -1.155 -14.091 1.00 0.87 C ATOM 128 CG GLU A 10 -0.024 -0.028 -13.243 1.00 0.98 C ATOM 129 CD GLU A 10 -0.021 1.295 -13.979 1.00 1.21 C ATOM 130 OE1 GLU A 10 -0.985 1.563 -14.727 1.00 1.46 O ATOM 131 OE2 GLU A 10 0.946 2.071 -13.827 1.00 1.25 O ATOM 0 H GLU A 10 0.372 -2.979 -11.433 1.00 0.58 H new ATOM 0 HA GLU A 10 -0.750 -2.665 -13.307 1.00 0.73 H new ATOM 0 HB2 GLU A 10 1.590 -0.992 -14.251 1.00 0.87 H new ATOM 0 HB3 GLU A 10 0.047 -1.126 -15.070 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -1.042 -0.269 -12.936 1.00 0.98 H new ATOM 0 HG3 GLU A 10 0.570 0.063 -12.334 1.00 0.98 H new ATOM 138 N LYS A 11 0.858 -4.828 -13.904 1.00 0.58 N ATOM 139 CA LYS A 11 1.139 -6.041 -14.676 1.00 0.55 C ATOM 140 C LYS A 11 2.583 -6.105 -15.170 1.00 0.49 C ATOM 141 O LYS A 11 2.957 -7.034 -15.883 1.00 0.56 O ATOM 142 CB LYS A 11 0.170 -6.176 -15.849 1.00 0.65 C ATOM 143 CG LYS A 11 -1.286 -6.079 -15.429 1.00 0.74 C ATOM 144 CD LYS A 11 -1.706 -7.192 -14.497 1.00 1.29 C ATOM 145 CE LYS A 11 -1.608 -6.742 -13.058 1.00 1.32 C ATOM 146 NZ LYS A 11 -2.194 -7.725 -12.111 1.00 1.91 N ATOM 0 H LYS A 11 0.712 -5.005 -12.910 1.00 0.58 H new ATOM 0 HA LYS A 11 0.996 -6.881 -13.996 1.00 0.55 H new ATOM 0 HB2 LYS A 11 0.384 -5.398 -16.581 1.00 0.65 H new ATOM 0 HB3 LYS A 11 0.337 -7.133 -16.343 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -1.454 -5.120 -14.940 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -1.917 -6.099 -16.318 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.729 -7.495 -14.721 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -1.073 -8.065 -14.655 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -0.561 -6.577 -12.803 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -2.118 -5.785 -12.945 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -2.101 -7.368 -11.139 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -3.200 -7.864 -12.334 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -1.692 -8.632 -12.197 1.00 1.91 H new ATOM 160 N VAL A 12 3.390 -5.123 -14.796 1.00 0.44 N ATOM 161 CA VAL A 12 4.808 -5.136 -15.125 1.00 0.42 C ATOM 162 C VAL A 12 5.643 -5.385 -13.875 1.00 0.35 C ATOM 163 O VAL A 12 5.424 -4.760 -12.835 1.00 0.30 O ATOM 164 CB VAL A 12 5.271 -3.824 -15.816 1.00 0.47 C ATOM 165 CG1 VAL A 12 4.571 -2.617 -15.228 1.00 0.47 C ATOM 166 CG2 VAL A 12 6.779 -3.660 -15.696 1.00 0.46 C ATOM 0 H VAL A 12 3.087 -4.307 -14.264 1.00 0.44 H new ATOM 0 HA VAL A 12 4.959 -5.950 -15.834 1.00 0.42 H new ATOM 0 HB VAL A 12 5.004 -3.894 -16.871 1.00 0.47 H new ATOM 0 HG11 VAL A 12 4.916 -1.715 -15.732 1.00 0.47 H new ATOM 0 HG12 VAL A 12 3.494 -2.719 -15.363 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.798 -2.547 -14.164 1.00 0.47 H new ATOM 0 HG21 VAL A 12 7.085 -2.735 -16.186 1.00 0.46 H new ATOM 0 HG22 VAL A 12 7.058 -3.622 -14.643 1.00 0.46 H new ATOM 0 HG23 VAL A 12 7.276 -4.505 -16.173 1.00 0.46 H new ATOM 176 N SER A 13 6.581 -6.315 -13.977 1.00 0.35 N ATOM 177 CA SER A 13 7.479 -6.608 -12.879 1.00 0.30 C ATOM 178 C SER A 13 8.578 -5.555 -12.808 1.00 0.28 C ATOM 179 O SER A 13 9.373 -5.390 -13.740 1.00 0.40 O ATOM 180 CB SER A 13 8.076 -8.011 -13.037 1.00 0.34 C ATOM 181 OG SER A 13 8.874 -8.364 -11.917 1.00 1.02 O ATOM 0 H SER A 13 6.737 -6.879 -14.813 1.00 0.35 H new ATOM 0 HA SER A 13 6.917 -6.583 -11.946 1.00 0.30 H new ATOM 0 HB2 SER A 13 7.273 -8.738 -13.157 1.00 0.34 H new ATOM 0 HB3 SER A 13 8.680 -8.051 -13.943 1.00 0.34 H new ATOM 0 HG SER A 13 9.239 -9.264 -12.046 1.00 1.02 H new ATOM 187 N GLY A 14 8.596 -4.834 -11.706 1.00 0.16 N ATOM 188 CA GLY A 14 9.577 -3.809 -11.495 1.00 0.14 C ATOM 189 C GLY A 14 10.222 -3.940 -10.142 1.00 0.12 C ATOM 190 O GLY A 14 10.278 -5.032 -9.588 1.00 0.14 O ATOM 0 H GLY A 14 7.932 -4.947 -10.940 1.00 0.16 H new ATOM 0 HA2 GLY A 14 10.340 -3.868 -12.271 1.00 0.14 H new ATOM 0 HA3 GLY A 14 9.107 -2.829 -11.583 1.00 0.14 H new ATOM 194 N ILE A 15 10.712 -2.841 -9.607 1.00 0.11 N ATOM 195 CA ILE A 15 11.396 -2.865 -8.335 1.00 0.12 C ATOM 196 C ILE A 15 10.807 -1.839 -7.392 1.00 0.10 C ATOM 197 O ILE A 15 10.256 -0.846 -7.817 1.00 0.08 O ATOM 198 CB ILE A 15 12.902 -2.599 -8.486 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.474 -3.348 -9.684 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.652 -2.988 -7.222 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.547 -4.845 -9.543 1.00 0.19 C ATOM 0 H ILE A 15 10.648 -1.918 -10.036 1.00 0.11 H new ATOM 0 HA ILE A 15 11.261 -3.866 -7.925 1.00 0.12 H new ATOM 0 HB ILE A 15 13.031 -1.530 -8.653 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.868 -3.113 -10.559 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.478 -2.970 -9.880 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.716 -2.790 -7.355 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.276 -2.404 -6.382 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.503 -4.049 -7.022 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.968 -5.276 -10.451 1.00 0.19 H new ATOM 0 HD12 ILE A 15 14.180 -5.100 -8.693 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.546 -5.245 -9.383 1.00 0.19 H new ATOM 213 N ILE A 16 10.926 -2.103 -6.116 1.00 0.13 N ATOM 214 CA ILE A 16 10.434 -1.215 -5.083 1.00 0.11 C ATOM 215 C ILE A 16 11.562 -0.884 -4.127 1.00 0.12 C ATOM 216 O ILE A 16 12.314 -1.764 -3.711 1.00 0.15 O ATOM 217 CB ILE A 16 9.249 -1.852 -4.320 1.00 0.12 C ATOM 218 CG1 ILE A 16 7.978 -1.065 -4.599 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.497 -1.912 -2.813 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.742 -1.690 -3.996 1.00 0.16 C ATOM 0 H ILE A 16 11.371 -2.948 -5.757 1.00 0.13 H new ATOM 0 HA ILE A 16 10.073 -0.299 -5.550 1.00 0.11 H new ATOM 0 HB ILE A 16 9.142 -2.877 -4.676 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.092 -0.054 -4.209 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.843 -0.977 -5.677 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.637 -2.367 -2.321 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.387 -2.509 -2.614 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.644 -0.903 -2.428 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.872 -1.078 -4.233 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.604 -2.691 -4.405 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.857 -1.753 -2.914 1.00 0.16 H new ATOM 232 N ALA A 17 11.722 0.384 -3.831 1.00 0.10 N ATOM 233 CA ALA A 17 12.727 0.800 -2.877 1.00 0.10 C ATOM 234 C ALA A 17 12.192 1.859 -1.929 1.00 0.08 C ATOM 235 O ALA A 17 11.880 2.970 -2.342 1.00 0.08 O ATOM 236 CB ALA A 17 13.962 1.294 -3.603 1.00 0.12 C ATOM 0 H ALA A 17 11.173 1.144 -4.234 1.00 0.10 H new ATOM 0 HA ALA A 17 13.000 -0.065 -2.272 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.712 1.605 -2.875 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.366 0.492 -4.221 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.698 2.141 -4.236 1.00 0.12 H new ATOM 242 N ILE A 18 12.087 1.507 -0.663 1.00 0.08 N ATOM 243 CA ILE A 18 11.774 2.470 0.368 1.00 0.08 C ATOM 244 C ILE A 18 13.062 3.143 0.788 1.00 0.09 C ATOM 245 O ILE A 18 13.951 2.504 1.352 1.00 0.18 O ATOM 246 CB ILE A 18 11.179 1.853 1.642 1.00 0.10 C ATOM 247 CG1 ILE A 18 9.996 0.936 1.324 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.768 2.971 2.601 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.394 -0.495 1.067 1.00 0.12 C ATOM 0 H ILE A 18 12.215 0.553 -0.324 1.00 0.08 H new ATOM 0 HA ILE A 18 11.035 3.147 -0.060 1.00 0.08 H new ATOM 0 HB ILE A 18 11.939 1.233 2.118 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.291 0.965 2.155 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.473 1.322 0.449 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.345 2.536 3.507 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.642 3.569 2.859 1.00 0.13 H new ATOM 0 HG23 ILE A 18 10.023 3.606 2.121 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.505 -1.086 0.848 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.075 -0.536 0.217 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.890 -0.899 1.949 1.00 0.12 H new ATOM 261 N ASN A 19 13.173 4.410 0.509 1.00 0.13 N ATOM 262 CA ASN A 19 14.379 5.137 0.817 1.00 0.18 C ATOM 263 C ASN A 19 14.074 6.286 1.726 1.00 0.20 C ATOM 264 O ASN A 19 13.145 7.049 1.469 1.00 0.21 O ATOM 265 CB ASN A 19 15.029 5.630 -0.481 1.00 0.22 C ATOM 266 CG ASN A 19 15.870 6.877 -0.290 1.00 0.43 C ATOM 267 OD1 ASN A 19 15.268 8.033 -0.537 1.00 1.12 O flip ATOM 268 ND2 ASN A 19 17.047 6.803 0.059 1.00 0.29 N flip ATOM 0 H ASN A 19 12.441 4.966 0.067 1.00 0.13 H new ATOM 0 HA ASN A 19 15.077 4.475 1.330 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.654 4.837 -0.891 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.250 5.834 -1.216 1.00 0.22 H new ATOM 0 HD21 ASN A 19 17.469 5.892 0.238 1.00 0.29 H new ATOM 0 HD22 ASN A 19 17.601 7.653 0.169 1.00 0.29 H new ATOM 275 N GLU A 20 14.821 6.420 2.810 1.00 0.24 N ATOM 276 CA GLU A 20 14.761 7.673 3.483 1.00 0.28 C ATOM 277 C GLU A 20 16.105 8.368 3.279 1.00 0.34 C ATOM 278 O GLU A 20 17.006 8.276 4.115 1.00 0.40 O ATOM 279 CB GLU A 20 14.568 7.459 4.981 1.00 0.33 C ATOM 280 CG GLU A 20 13.622 6.340 5.343 1.00 0.33 C ATOM 281 CD GLU A 20 13.764 5.947 6.792 1.00 0.55 C ATOM 282 OE1 GLU A 20 13.368 6.740 7.665 1.00 0.70 O ATOM 283 OE2 GLU A 20 14.317 4.860 7.064 1.00 0.74 O ATOM 0 H GLU A 20 15.437 5.713 3.212 1.00 0.24 H new ATOM 0 HA GLU A 20 13.932 8.262 3.092 1.00 0.28 H new ATOM 0 HB2 GLU A 20 15.539 7.256 5.433 1.00 0.33 H new ATOM 0 HB3 GLU A 20 14.199 8.385 5.422 1.00 0.33 H new ATOM 0 HG2 GLU A 20 12.596 6.651 5.148 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.819 5.476 4.709 1.00 0.33 H new ATOM 290 N ASP A 21 16.225 9.045 2.160 1.00 0.35 N ATOM 291 CA ASP A 21 17.162 10.136 1.952 1.00 0.41 C ATOM 292 C ASP A 21 16.329 11.341 1.595 1.00 0.41 C ATOM 293 O ASP A 21 16.776 12.486 1.557 1.00 0.46 O ATOM 294 CB ASP A 21 18.157 9.791 0.839 1.00 0.44 C ATOM 295 CG ASP A 21 19.084 10.940 0.488 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.155 11.068 1.118 1.00 0.59 O ATOM 297 OD2 ASP A 21 18.742 11.732 -0.417 1.00 0.53 O ATOM 0 H ASP A 21 15.655 8.848 1.338 1.00 0.35 H new ATOM 0 HA ASP A 21 17.758 10.328 2.844 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.754 8.933 1.147 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.606 9.492 -0.053 1.00 0.44 H new ATOM 302 N VAL A 22 15.072 11.015 1.364 1.00 0.35 N ATOM 303 CA VAL A 22 14.158 11.821 0.585 1.00 0.33 C ATOM 304 C VAL A 22 13.199 12.610 1.487 1.00 0.31 C ATOM 305 O VAL A 22 13.282 12.531 2.715 1.00 0.30 O ATOM 306 CB VAL A 22 13.373 10.828 -0.326 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.521 9.894 0.513 1.00 0.25 C ATOM 308 CG2 VAL A 22 12.521 11.504 -1.385 1.00 0.32 C ATOM 0 H VAL A 22 14.649 10.159 1.723 1.00 0.35 H new ATOM 0 HA VAL A 22 14.698 12.561 -0.005 1.00 0.33 H new ATOM 0 HB VAL A 22 14.131 10.258 -0.863 1.00 0.30 H new ATOM 0 HG11 VAL A 22 11.981 9.209 -0.140 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.161 9.324 1.187 1.00 0.25 H new ATOM 0 HG13 VAL A 22 11.808 10.477 1.096 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.007 10.746 -1.977 1.00 0.32 H new ATOM 0 HG22 VAL A 22 11.786 12.149 -0.903 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.157 12.103 -2.036 1.00 0.32 H new ATOM 318 N SER A 23 12.330 13.396 0.860 1.00 0.32 N ATOM 319 CA SER A 23 11.171 13.994 1.516 1.00 0.28 C ATOM 320 C SER A 23 10.379 12.876 2.195 1.00 0.18 C ATOM 321 O SER A 23 10.663 11.720 1.900 1.00 0.16 O ATOM 322 CB SER A 23 10.340 14.737 0.465 1.00 0.35 C ATOM 323 OG SER A 23 10.696 14.325 -0.845 1.00 1.31 O ATOM 0 H SER A 23 12.411 13.639 -0.127 1.00 0.32 H new ATOM 0 HA SER A 23 11.465 14.716 2.278 1.00 0.28 H new ATOM 0 HB2 SER A 23 9.280 14.549 0.634 1.00 0.35 H new ATOM 0 HB3 SER A 23 10.493 15.811 0.567 1.00 0.35 H new ATOM 0 HG SER A 23 9.972 13.786 -1.227 1.00 1.31 H new ATOM 329 N PRO A 24 9.373 13.146 3.073 1.00 0.16 N ATOM 330 CA PRO A 24 8.935 12.160 4.082 1.00 0.16 C ATOM 331 C PRO A 24 8.871 10.765 3.490 1.00 0.15 C ATOM 332 O PRO A 24 8.184 10.548 2.490 1.00 0.22 O ATOM 333 CB PRO A 24 7.516 12.644 4.428 1.00 0.21 C ATOM 334 CG PRO A 24 7.191 13.644 3.369 1.00 0.19 C ATOM 335 CD PRO A 24 8.497 14.317 3.096 1.00 0.17 C ATOM 0 HA PRO A 24 9.608 12.097 4.937 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.804 11.819 4.426 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.481 13.092 5.421 1.00 0.21 H new ATOM 0 HG2 PRO A 24 6.795 13.164 2.474 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.438 14.355 3.709 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.499 14.860 2.151 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.771 15.030 3.874 1.00 0.17 H new ATOM 343 N ALA A 25 9.553 9.834 4.181 1.00 0.15 N ATOM 344 CA ALA A 25 10.091 8.610 3.572 1.00 0.14 C ATOM 345 C ALA A 25 9.273 8.105 2.411 1.00 0.14 C ATOM 346 O ALA A 25 8.059 7.938 2.502 1.00 0.18 O ATOM 347 CB ALA A 25 10.280 7.511 4.591 1.00 0.20 C ATOM 0 H ALA A 25 9.746 9.912 5.180 1.00 0.15 H new ATOM 0 HA ALA A 25 11.065 8.895 3.176 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.679 6.624 4.099 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.977 7.844 5.360 1.00 0.20 H new ATOM 0 HB3 ALA A 25 9.321 7.271 5.049 1.00 0.20 H new ATOM 353 N GLU A 26 9.967 7.813 1.339 1.00 0.14 N ATOM 354 CA GLU A 26 9.332 7.541 0.084 1.00 0.15 C ATOM 355 C GLU A 26 9.750 6.179 -0.451 1.00 0.11 C ATOM 356 O GLU A 26 10.893 5.748 -0.296 1.00 0.13 O ATOM 357 CB GLU A 26 9.606 8.658 -0.954 1.00 0.27 C ATOM 358 CG GLU A 26 8.817 9.937 -0.690 1.00 0.66 C ATOM 359 CD GLU A 26 9.036 11.015 -1.736 1.00 0.71 C ATOM 360 OE1 GLU A 26 8.887 10.725 -2.943 1.00 1.26 O ATOM 361 OE2 GLU A 26 9.368 12.159 -1.368 1.00 1.14 O ATOM 0 H GLU A 26 10.985 7.759 1.317 1.00 0.14 H new ATOM 0 HA GLU A 26 8.256 7.522 0.259 1.00 0.15 H new ATOM 0 HB2 GLU A 26 10.671 8.890 -0.954 1.00 0.27 H new ATOM 0 HB3 GLU A 26 9.360 8.287 -1.949 1.00 0.27 H new ATOM 0 HG2 GLU A 26 7.755 9.696 -0.646 1.00 0.66 H new ATOM 0 HG3 GLU A 26 9.095 10.330 0.288 1.00 0.66 H new ATOM 368 N LEU A 27 8.801 5.516 -1.069 1.00 0.10 N ATOM 369 CA LEU A 27 9.015 4.244 -1.731 1.00 0.09 C ATOM 370 C LEU A 27 9.116 4.538 -3.201 1.00 0.09 C ATOM 371 O LEU A 27 8.416 5.399 -3.700 1.00 0.13 O ATOM 372 CB LEU A 27 7.819 3.319 -1.453 1.00 0.11 C ATOM 373 CG LEU A 27 7.661 2.070 -2.346 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.689 1.121 -1.697 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.135 2.415 -3.740 1.00 0.11 C ATOM 0 H LEU A 27 7.839 5.849 -1.129 1.00 0.10 H new ATOM 0 HA LEU A 27 9.917 3.749 -1.373 1.00 0.09 H new ATOM 0 HB2 LEU A 27 7.885 2.986 -0.417 1.00 0.11 H new ATOM 0 HB3 LEU A 27 6.908 3.912 -1.539 1.00 0.11 H new ATOM 0 HG LEU A 27 8.648 1.620 -2.455 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.572 0.236 -2.322 1.00 0.15 H new ATOM 0 HD12 LEU A 27 7.067 0.826 -0.718 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.723 1.613 -1.580 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.041 1.503 -4.330 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.159 2.892 -3.653 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.829 3.096 -4.233 1.00 0.11 H new ATOM 387 N THR A 28 9.959 3.838 -3.899 1.00 0.08 N ATOM 388 CA THR A 28 10.113 4.097 -5.302 1.00 0.09 C ATOM 389 C THR A 28 10.002 2.815 -6.098 1.00 0.08 C ATOM 390 O THR A 28 10.870 1.947 -6.017 1.00 0.10 O ATOM 391 CB THR A 28 11.451 4.787 -5.596 1.00 0.14 C ATOM 392 OG1 THR A 28 11.646 5.885 -4.692 1.00 0.21 O ATOM 393 CG2 THR A 28 11.468 5.298 -7.020 1.00 0.14 C ATOM 0 H THR A 28 10.546 3.091 -3.527 1.00 0.08 H new ATOM 0 HA THR A 28 9.309 4.769 -5.604 1.00 0.09 H new ATOM 0 HB THR A 28 12.255 4.063 -5.463 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.503 6.319 -4.885 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.422 5.786 -7.220 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.337 4.463 -7.708 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.658 6.014 -7.159 1.00 0.14 H new ATOM 401 N TRP A 29 8.914 2.680 -6.834 1.00 0.08 N ATOM 402 CA TRP A 29 8.762 1.552 -7.723 1.00 0.08 C ATOM 403 C TRP A 29 9.399 1.871 -9.060 1.00 0.08 C ATOM 404 O TRP A 29 8.883 2.656 -9.843 1.00 0.12 O ATOM 405 CB TRP A 29 7.301 1.163 -7.920 1.00 0.11 C ATOM 406 CG TRP A 29 7.139 -0.043 -8.800 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.271 -1.353 -8.435 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.825 -0.050 -10.195 1.00 0.14 C ATOM 409 NE1 TRP A 29 7.066 -2.167 -9.520 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.789 -1.393 -10.610 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.571 0.950 -11.133 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.511 -1.760 -11.922 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.295 0.583 -12.431 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.267 -0.760 -12.817 1.00 0.24 C ATOM 0 H TRP A 29 8.131 3.333 -6.832 1.00 0.08 H new ATOM 0 HA TRP A 29 9.263 0.699 -7.264 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.848 0.963 -6.949 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.761 2.003 -8.357 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.503 -1.697 -7.438 1.00 0.13 H new ATOM 0 HE1 TRP A 29 7.113 -3.186 -9.513 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.590 1.991 -10.847 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.489 -2.798 -12.221 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 6.096 1.349 -13.166 1.00 0.24 H new ATOM 0 HH2 TRP A 29 6.048 -1.011 -13.844 1.00 0.24 H new ATOM 425 N ARG A 30 10.528 1.262 -9.299 1.00 0.10 N ATOM 426 CA ARG A 30 11.277 1.468 -10.512 1.00 0.12 C ATOM 427 C ARG A 30 11.297 0.175 -11.313 1.00 0.13 C ATOM 428 O ARG A 30 11.803 -0.831 -10.839 1.00 0.15 O ATOM 429 CB ARG A 30 12.694 1.921 -10.152 1.00 0.15 C ATOM 430 CG ARG A 30 13.628 2.016 -11.337 1.00 0.21 C ATOM 431 CD ARG A 30 14.555 0.813 -11.406 1.00 0.32 C ATOM 432 NE ARG A 30 15.308 0.774 -12.659 1.00 0.33 N ATOM 433 CZ ARG A 30 16.111 -0.228 -13.026 1.00 0.47 C ATOM 434 NH1 ARG A 30 16.284 -1.279 -12.232 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.750 -0.169 -14.187 1.00 0.51 N ATOM 0 H ARG A 30 10.960 0.602 -8.652 1.00 0.10 H new ATOM 0 HA ARG A 30 10.812 2.242 -11.123 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.641 2.895 -9.665 1.00 0.15 H new ATOM 0 HB3 ARG A 30 13.114 1.225 -9.426 1.00 0.15 H new ATOM 0 HG2 ARG A 30 13.047 2.083 -12.257 1.00 0.21 H new ATOM 0 HG3 ARG A 30 14.218 2.929 -11.265 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.249 0.842 -10.566 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.971 -0.102 -11.305 1.00 0.32 H new ATOM 0 HE ARG A 30 15.214 1.565 -13.296 1.00 0.33 H new ATOM 0 HH11 ARG A 30 15.802 -1.325 -11.334 1.00 0.87 H new ATOM 0 HH12 ARG A 30 16.899 -2.040 -12.520 1.00 0.87 H new ATOM 0 HH21 ARG A 30 16.627 0.640 -14.796 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.364 -0.932 -14.471 1.00 0.51 H new ATOM 449 N SER A 31 10.749 0.206 -12.522 1.00 0.16 N ATOM 450 CA SER A 31 10.634 -0.991 -13.346 1.00 0.18 C ATOM 451 C SER A 31 11.995 -1.636 -13.552 1.00 0.20 C ATOM 452 O SER A 31 12.999 -0.950 -13.709 1.00 0.24 O ATOM 453 CB SER A 31 10.031 -0.642 -14.706 1.00 0.28 C ATOM 454 OG SER A 31 8.759 -0.043 -14.566 1.00 0.75 O ATOM 0 H SER A 31 10.376 1.051 -12.955 1.00 0.16 H new ATOM 0 HA SER A 31 9.982 -1.694 -12.828 1.00 0.18 H new ATOM 0 HB2 SER A 31 10.698 0.036 -15.238 1.00 0.28 H new ATOM 0 HB3 SER A 31 9.945 -1.545 -15.311 1.00 0.28 H new ATOM 0 HG SER A 31 8.228 -0.551 -13.918 1.00 0.75 H new ATOM 460 N THR A 32 12.004 -2.963 -13.546 1.00 0.20 N ATOM 461 CA THR A 32 13.225 -3.739 -13.733 1.00 0.26 C ATOM 462 C THR A 32 13.861 -3.405 -15.086 1.00 0.30 C ATOM 463 O THR A 32 15.074 -3.502 -15.264 1.00 0.38 O ATOM 464 CB THR A 32 12.921 -5.246 -13.665 1.00 0.31 C ATOM 465 OG1 THR A 32 12.134 -5.518 -12.501 1.00 0.31 O ATOM 466 CG2 THR A 32 14.204 -6.064 -13.610 1.00 0.39 C ATOM 0 H THR A 32 11.168 -3.531 -13.412 1.00 0.20 H new ATOM 0 HA THR A 32 13.921 -3.481 -12.934 1.00 0.26 H new ATOM 0 HB THR A 32 12.373 -5.527 -14.564 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.937 -6.477 -12.456 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.957 -7.125 -13.563 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.798 -5.869 -14.503 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.776 -5.785 -12.725 1.00 0.39 H new ATOM 474 N ASP A 33 13.009 -3.010 -16.032 1.00 0.32 N ATOM 475 CA ASP A 33 13.446 -2.564 -17.354 1.00 0.39 C ATOM 476 C ASP A 33 13.998 -1.140 -17.295 1.00 0.37 C ATOM 477 O ASP A 33 14.852 -0.757 -18.093 1.00 0.44 O ATOM 478 CB ASP A 33 12.268 -2.633 -18.333 1.00 0.52 C ATOM 479 CG ASP A 33 12.552 -1.947 -19.656 1.00 1.60 C ATOM 480 OD1 ASP A 33 13.348 -2.483 -20.454 1.00 2.07 O ATOM 481 OD2 ASP A 33 11.964 -0.874 -19.909 1.00 2.33 O ATOM 0 H ASP A 33 11.997 -2.990 -15.903 1.00 0.32 H new ATOM 0 HA ASP A 33 14.244 -3.222 -17.698 1.00 0.39 H new ATOM 0 HB2 ASP A 33 12.018 -3.678 -18.519 1.00 0.52 H new ATOM 0 HB3 ASP A 33 11.393 -2.173 -17.873 1.00 0.52 H new ATOM 486 N GLY A 34 13.518 -0.368 -16.329 1.00 0.36 N ATOM 487 CA GLY A 34 13.948 1.009 -16.187 1.00 0.37 C ATOM 488 C GLY A 34 12.925 1.998 -16.711 1.00 0.42 C ATOM 489 O GLY A 34 13.103 3.208 -16.587 1.00 0.55 O ATOM 0 H GLY A 34 12.834 -0.674 -15.637 1.00 0.36 H new ATOM 0 HA2 GLY A 34 14.144 1.218 -15.135 1.00 0.37 H new ATOM 0 HA3 GLY A 34 14.889 1.149 -16.720 1.00 0.37 H new ATOM 493 N ASP A 35 11.846 1.479 -17.287 1.00 0.45 N ATOM 494 CA ASP A 35 10.830 2.322 -17.911 1.00 0.55 C ATOM 495 C ASP A 35 10.028 3.123 -16.888 1.00 0.46 C ATOM 496 O ASP A 35 10.274 4.313 -16.696 1.00 0.74 O ATOM 497 CB ASP A 35 9.894 1.479 -18.766 1.00 0.73 C ATOM 498 CG ASP A 35 8.847 2.313 -19.477 1.00 0.89 C ATOM 499 OD1 ASP A 35 9.190 2.986 -20.469 1.00 1.13 O ATOM 500 OD2 ASP A 35 7.680 2.308 -19.039 1.00 0.92 O ATOM 0 H ASP A 35 11.652 0.479 -17.335 1.00 0.45 H new ATOM 0 HA ASP A 35 11.355 3.038 -18.544 1.00 0.55 H new ATOM 0 HB2 ASP A 35 10.478 0.929 -19.504 1.00 0.73 H new ATOM 0 HB3 ASP A 35 9.399 0.740 -18.136 1.00 0.73 H new ATOM 505 N LYS A 36 9.080 2.469 -16.232 1.00 0.34 N ATOM 506 CA LYS A 36 8.182 3.152 -15.306 1.00 0.34 C ATOM 507 C LYS A 36 8.792 3.301 -13.928 1.00 0.27 C ATOM 508 O LYS A 36 9.486 2.409 -13.435 1.00 0.34 O ATOM 509 CB LYS A 36 6.855 2.410 -15.187 1.00 0.55 C ATOM 510 CG LYS A 36 5.936 2.622 -16.365 1.00 0.92 C ATOM 511 CD LYS A 36 4.996 1.438 -16.564 1.00 0.90 C ATOM 512 CE LYS A 36 3.999 1.298 -15.419 1.00 1.25 C ATOM 513 NZ LYS A 36 3.091 2.470 -15.317 1.00 2.03 N ATOM 0 H LYS A 36 8.911 1.467 -16.322 1.00 0.34 H new ATOM 0 HA LYS A 36 8.010 4.147 -15.717 1.00 0.34 H new ATOM 0 HB2 LYS A 36 7.053 1.344 -15.079 1.00 0.55 H new ATOM 0 HB3 LYS A 36 6.348 2.734 -14.278 1.00 0.55 H new ATOM 0 HG2 LYS A 36 5.352 3.529 -16.213 1.00 0.92 H new ATOM 0 HG3 LYS A 36 6.529 2.772 -17.267 1.00 0.92 H new ATOM 0 HD2 LYS A 36 4.455 1.559 -17.502 1.00 0.90 H new ATOM 0 HD3 LYS A 36 5.581 0.522 -16.649 1.00 0.90 H new ATOM 0 HE2 LYS A 36 3.407 0.394 -15.564 1.00 1.25 H new ATOM 0 HE3 LYS A 36 4.541 1.178 -14.481 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 2.186 2.173 -14.899 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 3.528 3.196 -14.715 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 2.922 2.862 -16.265 1.00 2.03 H new ATOM 527 N VAL A 37 8.513 4.434 -13.321 1.00 0.22 N ATOM 528 CA VAL A 37 8.961 4.726 -11.962 1.00 0.21 C ATOM 529 C VAL A 37 7.834 5.404 -11.185 1.00 0.22 C ATOM 530 O VAL A 37 7.383 6.493 -11.546 1.00 0.32 O ATOM 531 CB VAL A 37 10.217 5.631 -11.935 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.664 5.881 -10.502 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.354 5.020 -12.742 1.00 0.55 C ATOM 0 H VAL A 37 7.970 5.184 -13.749 1.00 0.22 H new ATOM 0 HA VAL A 37 9.228 3.776 -11.498 1.00 0.21 H new ATOM 0 HB VAL A 37 9.951 6.584 -12.392 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.548 6.519 -10.503 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.862 6.373 -9.951 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.903 4.931 -10.024 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.222 5.678 -12.704 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.617 4.049 -12.323 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.039 4.895 -13.778 1.00 0.55 H new ATOM 543 N HIS A 38 7.372 4.750 -10.131 1.00 0.17 N ATOM 544 CA HIS A 38 6.253 5.241 -9.345 1.00 0.19 C ATOM 545 C HIS A 38 6.649 5.370 -7.877 1.00 0.17 C ATOM 546 O HIS A 38 6.838 4.369 -7.189 1.00 0.17 O ATOM 547 CB HIS A 38 5.085 4.277 -9.479 1.00 0.25 C ATOM 548 CG HIS A 38 3.755 4.882 -9.149 1.00 0.41 C ATOM 549 ND1 HIS A 38 2.925 5.422 -10.107 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.106 5.027 -7.969 1.00 0.56 C ATOM 551 CE1 HIS A 38 1.827 5.872 -9.535 1.00 0.67 C ATOM 552 NE2 HIS A 38 1.910 5.645 -8.238 1.00 0.69 N ATOM 0 H HIS A 38 7.761 3.868 -9.798 1.00 0.17 H new ATOM 0 HA HIS A 38 5.963 6.225 -9.714 1.00 0.19 H new ATOM 0 HB2 HIS A 38 5.056 3.897 -10.500 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.256 3.422 -8.825 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.463 4.715 -6.998 1.00 0.56 H new ATOM 0 HE1 HIS A 38 0.999 6.346 -10.042 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.200 5.889 -7.547 1.00 0.69 H new ATOM 561 N THR A 39 6.763 6.594 -7.397 1.00 0.18 N ATOM 562 CA THR A 39 7.203 6.829 -6.033 1.00 0.17 C ATOM 563 C THR A 39 6.006 7.062 -5.088 1.00 0.19 C ATOM 564 O THR A 39 5.042 7.737 -5.454 1.00 0.30 O ATOM 565 CB THR A 39 8.149 8.041 -5.971 1.00 0.22 C ATOM 566 OG1 THR A 39 9.206 7.884 -6.928 1.00 0.23 O ATOM 567 CG2 THR A 39 8.742 8.183 -4.581 1.00 0.23 C ATOM 0 H THR A 39 6.558 7.440 -7.929 1.00 0.18 H new ATOM 0 HA THR A 39 7.736 5.937 -5.704 1.00 0.17 H new ATOM 0 HB THR A 39 7.576 8.939 -6.204 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.804 8.659 -6.885 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.408 9.045 -4.556 1.00 0.23 H new ATOM 0 HG22 THR A 39 7.940 8.323 -3.856 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.304 7.283 -4.331 1.00 0.23 H new ATOM 575 N VAL A 40 6.066 6.486 -3.885 1.00 0.13 N ATOM 576 CA VAL A 40 5.027 6.662 -2.870 1.00 0.18 C ATOM 577 C VAL A 40 5.547 7.446 -1.659 1.00 0.11 C ATOM 578 O VAL A 40 6.583 7.101 -1.100 1.00 0.11 O ATOM 579 CB VAL A 40 4.516 5.290 -2.374 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.733 5.437 -1.087 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.662 4.610 -3.420 1.00 0.66 C ATOM 0 H VAL A 40 6.835 5.886 -3.588 1.00 0.13 H new ATOM 0 HA VAL A 40 4.218 7.221 -3.339 1.00 0.18 H new ATOM 0 HB VAL A 40 5.391 4.668 -2.185 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.385 4.458 -0.759 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.374 5.870 -0.319 1.00 0.47 H new ATOM 0 HG13 VAL A 40 2.876 6.089 -1.255 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.319 3.648 -3.040 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.801 5.237 -3.651 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.250 4.454 -4.324 1.00 0.66 H new ATOM 591 N VAL A 41 4.822 8.490 -1.250 1.00 0.10 N ATOM 592 CA VAL A 41 5.159 9.226 -0.038 1.00 0.10 C ATOM 593 C VAL A 41 4.432 8.624 1.153 1.00 0.08 C ATOM 594 O VAL A 41 3.219 8.762 1.296 1.00 0.09 O ATOM 595 CB VAL A 41 4.820 10.730 -0.140 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.353 11.488 1.076 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.375 11.316 -1.428 1.00 0.18 C ATOM 0 H VAL A 41 4.000 8.841 -1.742 1.00 0.10 H new ATOM 0 HA VAL A 41 6.238 9.142 0.094 1.00 0.10 H new ATOM 0 HB VAL A 41 3.735 10.837 -0.156 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.103 12.545 0.984 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.900 11.086 1.982 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.436 11.374 1.130 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.126 12.376 -1.482 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.458 11.196 -1.445 1.00 0.18 H new ATOM 0 HG23 VAL A 41 4.939 10.797 -2.281 1.00 0.18 H new ATOM 607 N LEU A 42 5.193 7.965 1.997 1.00 0.08 N ATOM 608 CA LEU A 42 4.679 7.281 3.186 1.00 0.09 C ATOM 609 C LEU A 42 3.895 8.219 4.102 1.00 0.10 C ATOM 610 O LEU A 42 3.004 7.783 4.820 1.00 0.12 O ATOM 611 CB LEU A 42 5.827 6.653 3.974 1.00 0.10 C ATOM 612 CG LEU A 42 6.394 5.333 3.428 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.501 4.187 3.852 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.540 5.347 1.910 1.00 0.10 C ATOM 0 H LEU A 42 6.203 7.881 1.885 1.00 0.08 H new ATOM 0 HA LEU A 42 3.998 6.506 2.835 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.640 7.377 4.027 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.486 6.481 4.995 1.00 0.10 H new ATOM 0 HG LEU A 42 7.393 5.205 3.845 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.903 3.250 3.465 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.459 4.142 4.940 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.497 4.342 3.456 1.00 0.12 H new ATOM 0 HD21 LEU A 42 6.944 4.392 1.575 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.564 5.509 1.452 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.216 6.150 1.617 1.00 0.10 H new ATOM 626 N SER A 43 4.228 9.503 4.081 1.00 0.12 N ATOM 627 CA SER A 43 3.530 10.472 4.917 1.00 0.15 C ATOM 628 C SER A 43 2.145 10.778 4.347 1.00 0.14 C ATOM 629 O SER A 43 1.206 11.062 5.092 1.00 0.17 O ATOM 630 CB SER A 43 4.350 11.751 5.053 1.00 0.20 C ATOM 631 OG SER A 43 3.669 12.739 5.808 1.00 1.06 O ATOM 0 H SER A 43 4.969 9.895 3.501 1.00 0.12 H new ATOM 0 HA SER A 43 3.402 10.039 5.909 1.00 0.15 H new ATOM 0 HB2 SER A 43 5.303 11.522 5.531 1.00 0.20 H new ATOM 0 HB3 SER A 43 4.577 12.144 4.062 1.00 0.20 H new ATOM 0 HG SER A 43 4.059 12.791 6.706 1.00 1.06 H new ATOM 637 N THR A 44 2.017 10.721 3.023 1.00 0.13 N ATOM 638 CA THR A 44 0.718 10.889 2.385 1.00 0.14 C ATOM 639 C THR A 44 -0.064 9.583 2.458 1.00 0.13 C ATOM 640 O THR A 44 -1.247 9.520 2.127 1.00 0.18 O ATOM 641 CB THR A 44 0.843 11.339 0.913 1.00 0.16 C ATOM 642 OG1 THR A 44 1.562 10.368 0.143 1.00 0.17 O ATOM 643 CG2 THR A 44 1.549 12.681 0.813 1.00 0.20 C ATOM 0 H THR A 44 2.791 10.561 2.378 1.00 0.13 H new ATOM 0 HA THR A 44 0.188 11.674 2.924 1.00 0.14 H new ATOM 0 HB THR A 44 -0.167 11.437 0.514 1.00 0.16 H new ATOM 0 HG1 THR A 44 2.019 9.745 0.746 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.624 12.975 -0.234 1.00 0.20 H new ATOM 0 HG22 THR A 44 0.981 13.433 1.361 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.549 12.599 1.240 1.00 0.20 H new ATOM 651 N ILE A 45 0.635 8.537 2.878 1.00 0.11 N ATOM 652 CA ILE A 45 0.044 7.243 3.122 1.00 0.12 C ATOM 653 C ILE A 45 -0.543 7.162 4.530 1.00 0.16 C ATOM 654 O ILE A 45 0.137 7.409 5.525 1.00 0.23 O ATOM 655 CB ILE A 45 1.092 6.134 2.947 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.669 6.153 1.530 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.484 4.785 3.253 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.656 5.856 0.435 1.00 0.10 C ATOM 0 H ILE A 45 1.638 8.571 3.059 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.759 7.105 2.397 1.00 0.12 H new ATOM 0 HB ILE A 45 1.906 6.316 3.648 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.111 7.132 1.344 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.476 5.423 1.470 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.238 4.008 3.125 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.123 4.774 4.281 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.348 4.598 2.574 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.150 5.890 -0.536 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.231 4.865 0.592 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.140 6.600 0.464 1.00 0.10 H new ATOM 670 N ASP A 46 -1.824 6.840 4.587 1.00 0.16 N ATOM 671 CA ASP A 46 -2.537 6.633 5.835 1.00 0.22 C ATOM 672 C ASP A 46 -2.156 5.296 6.458 1.00 0.22 C ATOM 673 O ASP A 46 -1.840 5.224 7.643 1.00 0.28 O ATOM 674 CB ASP A 46 -4.046 6.678 5.573 1.00 0.28 C ATOM 675 CG ASP A 46 -4.869 6.078 6.697 1.00 0.46 C ATOM 676 OD1 ASP A 46 -4.912 6.674 7.792 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.444 4.987 6.502 1.00 0.61 O ATOM 0 H ASP A 46 -2.405 6.714 3.758 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.264 7.425 6.532 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.351 7.714 5.422 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.263 6.144 4.648 1.00 0.28 H new ATOM 682 N LYS A 47 -2.169 4.245 5.643 1.00 0.21 N ATOM 683 CA LYS A 47 -1.899 2.898 6.130 1.00 0.27 C ATOM 684 C LYS A 47 -1.194 2.066 5.071 1.00 0.18 C ATOM 685 O LYS A 47 -1.168 2.429 3.906 1.00 0.20 O ATOM 686 CB LYS A 47 -3.204 2.202 6.525 1.00 0.41 C ATOM 687 CG LYS A 47 -3.185 1.672 7.946 1.00 1.07 C ATOM 688 CD LYS A 47 -3.156 2.815 8.943 1.00 1.01 C ATOM 689 CE LYS A 47 -2.847 2.341 10.349 1.00 1.60 C ATOM 690 NZ LYS A 47 -3.883 1.417 10.875 1.00 1.95 N ATOM 0 H LYS A 47 -2.364 4.301 4.643 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.251 2.986 7.002 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -4.031 2.903 6.415 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.392 1.377 5.838 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.065 1.053 8.120 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -2.313 1.034 8.090 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -2.407 3.545 8.635 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -4.119 3.325 8.937 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -1.879 1.839 10.356 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -2.764 3.204 11.010 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -3.731 1.268 11.893 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -4.826 1.829 10.723 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -3.820 0.505 10.378 1.00 1.95 H new ATOM 704 N LEU A 48 -0.621 0.950 5.474 1.00 0.14 N ATOM 705 CA LEU A 48 -0.056 0.007 4.529 1.00 0.10 C ATOM 706 C LEU A 48 -0.645 -1.378 4.762 1.00 0.11 C ATOM 707 O LEU A 48 -0.927 -1.764 5.895 1.00 0.14 O ATOM 708 CB LEU A 48 1.459 -0.056 4.657 1.00 0.10 C ATOM 709 CG LEU A 48 2.090 -1.300 4.056 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.049 -1.261 2.548 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.507 -1.433 4.518 1.00 0.13 C ATOM 0 H LEU A 48 -0.534 0.673 6.452 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.304 0.347 3.523 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.889 0.823 4.176 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.724 -0.003 5.713 1.00 0.10 H new ATOM 0 HG LEU A 48 1.515 -2.162 4.392 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.508 -2.165 2.148 1.00 0.12 H new ATOM 0 HD12 LEU A 48 1.013 -1.202 2.214 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.596 -0.388 2.192 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.950 -2.328 4.081 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.075 -0.557 4.205 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.530 -1.511 5.605 1.00 0.13 H new ATOM 723 N GLN A 49 -0.790 -2.113 3.682 1.00 0.10 N ATOM 724 CA GLN A 49 -1.334 -3.461 3.702 1.00 0.11 C ATOM 725 C GLN A 49 -0.354 -4.430 3.069 1.00 0.10 C ATOM 726 O GLN A 49 0.511 -4.032 2.290 1.00 0.12 O ATOM 727 CB GLN A 49 -2.641 -3.534 2.927 1.00 0.15 C ATOM 728 CG GLN A 49 -3.803 -2.789 3.568 1.00 0.27 C ATOM 729 CD GLN A 49 -4.243 -3.412 4.881 1.00 0.86 C ATOM 730 OE1 GLN A 49 -3.775 -3.027 5.952 1.00 1.49 O ATOM 731 NE2 GLN A 49 -5.133 -4.391 4.808 1.00 1.03 N ATOM 0 H GLN A 49 -0.531 -1.790 2.750 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.513 -3.727 4.744 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.477 -3.133 1.927 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -2.920 -4.581 2.809 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.514 -1.752 3.741 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -4.646 -2.774 2.877 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -5.498 -4.682 3.901 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -5.453 -4.854 5.659 1.00 1.03 H new ATOM 740 N ALA A 50 -0.508 -5.692 3.406 1.00 0.11 N ATOM 741 CA ALA A 50 0.345 -6.751 2.888 1.00 0.13 C ATOM 742 C ALA A 50 -0.302 -8.118 3.148 1.00 0.18 C ATOM 743 O ALA A 50 -0.945 -8.308 4.181 1.00 0.25 O ATOM 744 CB ALA A 50 1.721 -6.657 3.530 1.00 0.16 C ATOM 0 H ALA A 50 -1.229 -6.018 4.049 1.00 0.11 H new ATOM 0 HA ALA A 50 0.463 -6.636 1.810 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.359 -7.451 3.141 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.165 -5.689 3.299 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.626 -6.764 4.611 1.00 0.16 H new ATOM 750 N THR A 51 -0.158 -9.047 2.203 1.00 0.17 N ATOM 751 CA THR A 51 -0.712 -10.403 2.335 1.00 0.22 C ATOM 752 C THR A 51 -0.222 -11.082 3.612 1.00 0.33 C ATOM 753 O THR A 51 0.974 -11.114 3.899 1.00 0.37 O ATOM 754 CB THR A 51 -0.321 -11.285 1.133 1.00 0.21 C ATOM 755 OG1 THR A 51 1.093 -11.288 0.958 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.971 -10.811 -0.152 1.00 0.20 C ATOM 0 H THR A 51 0.342 -8.887 1.328 1.00 0.17 H new ATOM 0 HA THR A 51 -1.796 -10.295 2.373 1.00 0.22 H new ATOM 0 HB THR A 51 -0.675 -12.293 1.351 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.516 -10.812 1.703 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.669 -11.460 -0.974 1.00 0.20 H new ATOM 0 HG22 THR A 51 -2.055 -10.843 -0.044 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.657 -9.789 -0.363 1.00 0.20 H new ATOM 764 N PRO A 52 -1.169 -11.627 4.382 1.00 0.41 N ATOM 765 CA PRO A 52 -0.897 -12.347 5.635 1.00 0.54 C ATOM 766 C PRO A 52 -0.097 -13.625 5.413 1.00 0.61 C ATOM 767 O PRO A 52 0.026 -14.099 4.286 1.00 0.58 O ATOM 768 CB PRO A 52 -2.303 -12.698 6.140 1.00 0.64 C ATOM 769 CG PRO A 52 -3.144 -12.687 4.923 1.00 0.60 C ATOM 770 CD PRO A 52 -2.606 -11.586 4.080 1.00 0.45 C ATOM 0 HA PRO A 52 -0.302 -11.750 6.326 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -2.319 -13.674 6.625 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -2.655 -11.972 6.873 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -3.092 -13.643 4.401 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -4.192 -12.516 5.171 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -2.803 -11.753 3.021 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.048 -10.624 4.339 1.00 0.45 H new ATOM 778 N ALA A 53 0.441 -14.185 6.490 1.00 0.73 N ATOM 779 CA ALA A 53 1.143 -15.461 6.420 1.00 0.86 C ATOM 780 C ALA A 53 0.219 -16.559 5.889 1.00 0.91 C ATOM 781 O ALA A 53 0.672 -17.531 5.287 1.00 1.00 O ATOM 782 CB ALA A 53 1.689 -15.840 7.788 1.00 1.02 C ATOM 0 H ALA A 53 0.404 -13.775 7.423 1.00 0.73 H new ATOM 0 HA ALA A 53 1.979 -15.356 5.729 1.00 0.86 H new ATOM 0 HB1 ALA A 53 2.210 -16.795 7.720 1.00 1.02 H new ATOM 0 HB2 ALA A 53 2.383 -15.071 8.129 1.00 1.02 H new ATOM 0 HB3 ALA A 53 0.866 -15.926 8.497 1.00 1.02 H new ATOM 788 N SER A 54 -1.079 -16.385 6.114 1.00 0.89 N ATOM 789 CA SER A 54 -2.084 -17.324 5.629 1.00 0.98 C ATOM 790 C SER A 54 -2.298 -17.174 4.124 1.00 0.88 C ATOM 791 O SER A 54 -2.739 -18.105 3.452 1.00 0.97 O ATOM 792 CB SER A 54 -3.402 -17.088 6.359 1.00 1.07 C ATOM 793 OG SER A 54 -3.248 -17.241 7.760 1.00 1.58 O ATOM 0 H SER A 54 -1.462 -15.595 6.634 1.00 0.89 H new ATOM 0 HA SER A 54 -1.728 -18.336 5.825 1.00 0.98 H new ATOM 0 HB2 SER A 54 -3.768 -16.085 6.138 1.00 1.07 H new ATOM 0 HB3 SER A 54 -4.153 -17.789 5.995 1.00 1.07 H new ATOM 0 HG SER A 54 -4.108 -17.082 8.203 1.00 1.58 H new ATOM 799 N SER A 55 -1.985 -15.994 3.608 1.00 0.71 N ATOM 800 CA SER A 55 -2.127 -15.709 2.186 1.00 0.61 C ATOM 801 C SER A 55 -1.230 -16.630 1.360 1.00 0.63 C ATOM 802 O SER A 55 -0.084 -16.895 1.730 1.00 0.71 O ATOM 803 CB SER A 55 -1.767 -14.243 1.900 1.00 0.55 C ATOM 804 OG SER A 55 -1.702 -13.992 0.507 1.00 0.54 O ATOM 0 H SER A 55 -1.628 -15.212 4.158 1.00 0.71 H new ATOM 0 HA SER A 55 -3.165 -15.885 1.904 1.00 0.61 H new ATOM 0 HB2 SER A 55 -2.510 -13.588 2.356 1.00 0.55 H new ATOM 0 HB3 SER A 55 -0.808 -14.005 2.360 1.00 0.55 H new ATOM 0 HG SER A 55 -0.764 -13.929 0.229 1.00 0.54 H new ATOM 810 N GLU A 56 -1.762 -17.127 0.249 1.00 0.61 N ATOM 811 CA GLU A 56 -0.978 -17.936 -0.670 1.00 0.69 C ATOM 812 C GLU A 56 -0.186 -17.015 -1.578 1.00 0.60 C ATOM 813 O GLU A 56 0.792 -17.415 -2.211 1.00 0.70 O ATOM 814 CB GLU A 56 -1.871 -18.832 -1.519 1.00 0.80 C ATOM 815 CG GLU A 56 -3.120 -19.310 -0.808 1.00 1.19 C ATOM 816 CD GLU A 56 -4.310 -18.409 -1.067 1.00 2.20 C ATOM 817 OE1 GLU A 56 -4.255 -17.220 -0.687 1.00 2.66 O ATOM 818 OE2 GLU A 56 -5.302 -18.880 -1.659 1.00 2.89 O ATOM 0 H GLU A 56 -2.731 -16.983 -0.035 1.00 0.61 H new ATOM 0 HA GLU A 56 -0.310 -18.573 -0.090 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -2.163 -18.289 -2.418 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -1.295 -19.699 -1.843 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -3.356 -20.323 -1.135 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -2.929 -19.357 0.264 1.00 1.19 H new ATOM 825 N LYS A 57 -0.629 -15.767 -1.624 1.00 0.46 N ATOM 826 CA LYS A 57 -0.052 -14.773 -2.505 1.00 0.39 C ATOM 827 C LYS A 57 0.833 -13.836 -1.704 1.00 0.32 C ATOM 828 O LYS A 57 0.884 -13.918 -0.478 1.00 0.39 O ATOM 829 CB LYS A 57 -1.160 -13.970 -3.190 1.00 0.41 C ATOM 830 CG LYS A 57 -2.420 -14.780 -3.467 1.00 0.56 C ATOM 831 CD LYS A 57 -2.179 -15.892 -4.462 1.00 0.89 C ATOM 832 CE LYS A 57 -1.984 -15.370 -5.874 1.00 1.84 C ATOM 833 NZ LYS A 57 -3.191 -14.664 -6.384 1.00 2.59 N ATOM 0 H LYS A 57 -1.398 -15.419 -1.051 1.00 0.46 H new ATOM 0 HA LYS A 57 0.544 -15.277 -3.266 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.418 -13.116 -2.564 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.780 -13.572 -4.131 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -2.789 -15.204 -2.533 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -3.199 -14.118 -3.846 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -1.298 -16.460 -4.162 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -3.024 -16.581 -4.445 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -1.132 -14.690 -5.894 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -1.744 -16.201 -6.537 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -3.125 -14.565 -7.417 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -4.041 -15.212 -6.143 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -3.252 -13.721 -5.949 1.00 2.59 H new ATOM 847 N MET A 58 1.519 -12.953 -2.400 1.00 0.27 N ATOM 848 CA MET A 58 2.363 -11.959 -1.764 1.00 0.25 C ATOM 849 C MET A 58 2.108 -10.606 -2.404 1.00 0.23 C ATOM 850 O MET A 58 2.450 -10.392 -3.563 1.00 0.29 O ATOM 851 CB MET A 58 3.849 -12.310 -1.905 1.00 0.29 C ATOM 852 CG MET A 58 4.155 -13.705 -2.460 1.00 0.42 C ATOM 853 SD MET A 58 3.577 -13.962 -4.153 1.00 1.78 S ATOM 854 CE MET A 58 4.029 -15.677 -4.411 1.00 1.53 C ATOM 0 H MET A 58 1.508 -12.903 -3.419 1.00 0.27 H new ATOM 0 HA MET A 58 2.118 -11.933 -0.702 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.318 -11.570 -2.554 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.319 -12.218 -0.926 1.00 0.29 H new ATOM 0 HG2 MET A 58 5.232 -13.871 -2.425 1.00 0.42 H new ATOM 0 HG3 MET A 58 3.696 -14.452 -1.812 1.00 0.42 H new ATOM 0 HE1 MET A 58 4.038 -15.894 -5.479 1.00 1.53 H new ATOM 0 HE2 MET A 58 5.020 -15.859 -3.995 1.00 1.53 H new ATOM 0 HE3 MET A 58 3.304 -16.323 -3.916 1.00 1.53 H new ATOM 864 N MET A 59 1.516 -9.692 -1.659 1.00 0.20 N ATOM 865 CA MET A 59 1.133 -8.395 -2.207 1.00 0.21 C ATOM 866 C MET A 59 1.083 -7.330 -1.122 1.00 0.18 C ATOM 867 O MET A 59 0.669 -7.594 0.002 1.00 0.26 O ATOM 868 CB MET A 59 -0.233 -8.477 -2.906 1.00 0.27 C ATOM 869 CG MET A 59 -0.207 -9.135 -4.274 1.00 0.64 C ATOM 870 SD MET A 59 -1.837 -9.257 -5.037 1.00 1.30 S ATOM 871 CE MET A 59 -2.573 -10.575 -4.072 1.00 0.62 C ATOM 0 H MET A 59 1.288 -9.819 -0.673 1.00 0.20 H new ATOM 0 HA MET A 59 1.893 -8.116 -2.937 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.921 -9.029 -2.266 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.634 -7.469 -3.010 1.00 0.27 H new ATOM 0 HG2 MET A 59 0.452 -8.567 -4.930 1.00 0.64 H new ATOM 0 HG3 MET A 59 0.219 -10.134 -4.181 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.903 -11.372 -4.738 1.00 0.62 H new ATOM 0 HE2 MET A 59 -1.836 -10.969 -3.372 1.00 0.62 H new ATOM 0 HE3 MET A 59 -3.428 -10.187 -3.519 1.00 0.62 H new ATOM 881 N LEU A 60 1.516 -6.135 -1.479 1.00 0.12 N ATOM 882 CA LEU A 60 1.453 -4.974 -0.599 1.00 0.10 C ATOM 883 C LEU A 60 0.425 -3.963 -1.120 1.00 0.10 C ATOM 884 O LEU A 60 0.111 -3.954 -2.309 1.00 0.13 O ATOM 885 CB LEU A 60 2.813 -4.286 -0.543 1.00 0.13 C ATOM 886 CG LEU A 60 3.517 -4.352 0.805 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.320 -5.621 0.943 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.416 -3.165 0.989 1.00 0.14 C ATOM 0 H LEU A 60 1.924 -5.937 -2.393 1.00 0.12 H new ATOM 0 HA LEU A 60 1.163 -5.318 0.394 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.461 -4.735 -1.296 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.684 -3.239 -0.817 1.00 0.13 H new ATOM 0 HG LEU A 60 2.748 -4.344 1.577 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.810 -5.637 1.916 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.657 -6.482 0.856 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.074 -5.662 0.157 1.00 0.12 H new ATOM 0 HD21 LEU A 60 4.910 -3.230 1.958 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.167 -3.151 0.199 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.825 -2.250 0.944 1.00 0.14 H new ATOM 900 N ARG A 61 -0.086 -3.108 -0.238 1.00 0.10 N ATOM 901 CA ARG A 61 -0.922 -1.980 -0.660 1.00 0.11 C ATOM 902 C ARG A 61 -0.784 -0.793 0.287 1.00 0.11 C ATOM 903 O ARG A 61 -1.176 -0.855 1.443 1.00 0.11 O ATOM 904 CB ARG A 61 -2.402 -2.357 -0.802 1.00 0.16 C ATOM 905 CG ARG A 61 -3.246 -1.204 -1.325 1.00 0.32 C ATOM 906 CD ARG A 61 -4.673 -1.620 -1.640 1.00 0.56 C ATOM 907 NE ARG A 61 -5.446 -1.965 -0.450 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.779 -1.984 -0.425 1.00 1.67 C ATOM 909 NH1 ARG A 61 -7.469 -1.738 -1.531 1.00 1.46 N ATOM 910 NH2 ARG A 61 -7.424 -2.276 0.696 1.00 2.72 N ATOM 0 H ARG A 61 0.061 -3.171 0.769 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.555 -1.694 -1.646 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.494 -3.207 -1.478 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.788 -2.676 0.166 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -3.260 -0.404 -0.585 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -2.783 -0.798 -2.224 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -5.173 -0.808 -2.168 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -4.655 -2.476 -2.315 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.941 -2.203 0.404 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -6.980 -1.534 -2.402 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -8.489 -1.753 -1.510 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -6.900 -2.488 1.545 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -8.444 -2.289 0.709 1.00 2.72 H new ATOM 924 N LEU A 62 -0.237 0.294 -0.227 1.00 0.11 N ATOM 925 CA LEU A 62 -0.052 1.513 0.543 1.00 0.11 C ATOM 926 C LEU A 62 -1.256 2.445 0.379 1.00 0.15 C ATOM 927 O LEU A 62 -1.496 2.991 -0.693 1.00 0.19 O ATOM 928 CB LEU A 62 1.264 2.181 0.125 1.00 0.12 C ATOM 929 CG LEU A 62 2.474 1.664 0.907 1.00 0.20 C ATOM 930 CD1 LEU A 62 3.780 1.882 0.166 1.00 0.90 C ATOM 931 CD2 LEU A 62 2.550 2.328 2.262 1.00 0.86 C ATOM 0 H LEU A 62 0.092 0.358 -1.190 1.00 0.11 H new ATOM 0 HA LEU A 62 0.013 1.273 1.604 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.428 2.013 -0.939 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.179 3.258 0.268 1.00 0.12 H new ATOM 0 HG LEU A 62 2.333 0.590 1.026 1.00 0.20 H new ATOM 0 HD11 LEU A 62 4.606 1.498 0.764 1.00 0.90 H new ATOM 0 HD12 LEU A 62 3.748 1.357 -0.789 1.00 0.90 H new ATOM 0 HD13 LEU A 62 3.925 2.948 -0.010 1.00 0.90 H new ATOM 0 HD21 LEU A 62 3.416 1.949 2.805 1.00 0.86 H new ATOM 0 HD22 LEU A 62 2.645 3.406 2.134 1.00 0.86 H new ATOM 0 HD23 LEU A 62 1.644 2.108 2.826 1.00 0.86 H new ATOM 943 N ILE A 63 -1.991 2.623 1.466 1.00 0.17 N ATOM 944 CA ILE A 63 -3.249 3.367 1.482 1.00 0.23 C ATOM 945 C ILE A 63 -2.985 4.853 1.676 1.00 0.21 C ATOM 946 O ILE A 63 -2.607 5.259 2.761 1.00 0.25 O ATOM 947 CB ILE A 63 -4.130 2.935 2.689 1.00 0.30 C ATOM 948 CG1 ILE A 63 -3.961 1.448 3.025 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.595 3.266 2.449 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.428 0.505 1.953 1.00 0.33 C ATOM 0 H ILE A 63 -1.729 2.250 2.379 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.746 3.165 0.533 1.00 0.23 H new ATOM 0 HB ILE A 63 -3.784 3.507 3.550 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -2.908 1.253 3.228 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.508 1.232 3.943 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.185 2.952 3.310 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.706 4.341 2.305 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.945 2.743 1.559 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.269 -0.523 2.278 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.489 0.666 1.764 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.865 0.687 1.038 1.00 0.33 H new ATOM 962 N GLY A 64 -3.184 5.664 0.647 1.00 0.27 N ATOM 963 CA GLY A 64 -3.023 7.100 0.812 1.00 0.30 C ATOM 964 C GLY A 64 -4.232 7.725 1.479 1.00 0.35 C ATOM 965 O GLY A 64 -5.321 7.160 1.430 1.00 0.48 O ATOM 0 H GLY A 64 -3.451 5.362 -0.290 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -2.133 7.301 1.409 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.864 7.563 -0.162 1.00 0.30 H new ATOM 969 N LYS A 65 -4.044 8.873 2.121 1.00 0.30 N ATOM 970 CA LYS A 65 -5.147 9.562 2.787 1.00 0.33 C ATOM 971 C LYS A 65 -6.143 10.094 1.768 1.00 0.38 C ATOM 972 O LYS A 65 -5.758 10.692 0.765 1.00 0.41 O ATOM 973 CB LYS A 65 -4.655 10.732 3.641 1.00 0.34 C ATOM 974 CG LYS A 65 -4.028 10.336 4.970 1.00 0.36 C ATOM 975 CD LYS A 65 -2.629 9.793 4.806 1.00 0.40 C ATOM 976 CE LYS A 65 -1.767 10.089 6.020 1.00 0.43 C ATOM 977 NZ LYS A 65 -1.445 11.535 6.136 1.00 1.15 N ATOM 0 H LYS A 65 -3.143 9.346 2.195 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.628 8.829 3.434 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.924 11.300 3.066 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.495 11.399 3.836 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -4.003 11.203 5.630 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.652 9.585 5.454 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -2.673 8.716 4.645 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -2.171 10.230 3.919 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -2.285 9.760 6.921 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -0.842 9.516 5.956 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -0.457 11.695 5.853 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -2.076 12.082 5.516 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -1.576 11.842 7.121 1.00 1.15 H new ATOM 991 N VAL A 66 -7.423 9.892 2.035 1.00 0.42 N ATOM 992 CA VAL A 66 -8.465 10.418 1.168 1.00 0.51 C ATOM 993 C VAL A 66 -8.741 11.875 1.510 1.00 0.57 C ATOM 994 O VAL A 66 -8.531 12.313 2.647 1.00 0.61 O ATOM 995 CB VAL A 66 -9.764 9.584 1.261 1.00 0.57 C ATOM 996 CG1 VAL A 66 -10.279 9.518 2.688 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.841 10.113 0.323 1.00 0.69 C ATOM 0 H VAL A 66 -7.765 9.370 2.842 1.00 0.42 H new ATOM 0 HA VAL A 66 -8.109 10.352 0.140 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.516 8.571 0.944 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -11.193 8.925 2.718 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.525 9.056 3.326 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.489 10.526 3.046 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.738 9.501 0.417 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -11.076 11.145 0.584 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -10.480 10.072 -0.705 1.00 0.69 H new ATOM 1294 N GLN A 85 -6.886 6.956 -2.313 1.00 0.51 N ATOM 1295 CA GLN A 85 -6.026 6.402 -3.346 1.00 0.52 C ATOM 1296 C GLN A 85 -4.964 5.514 -2.725 1.00 0.43 C ATOM 1297 O GLN A 85 -4.103 5.962 -1.974 1.00 0.54 O ATOM 1298 CB GLN A 85 -5.408 7.500 -4.238 1.00 0.62 C ATOM 1299 CG GLN A 85 -5.381 8.904 -3.633 1.00 0.85 C ATOM 1300 CD GLN A 85 -4.335 9.089 -2.549 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -3.200 8.430 -2.692 1.00 1.78 O flip ATOM 1302 NE2 GLN A 85 -4.533 9.855 -1.607 1.00 0.97 N flip ATOM 0 HA GLN A 85 -6.642 5.788 -4.003 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -4.387 7.210 -4.485 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -5.964 7.538 -5.175 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -5.198 9.627 -4.428 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -6.363 9.129 -3.218 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -5.423 10.348 -1.529 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -3.807 9.997 -0.904 1.00 0.97 H new ATOM 1311 N ARG A 86 -5.052 4.236 -3.027 1.00 0.31 N ATOM 1312 CA ARG A 86 -4.169 3.260 -2.436 1.00 0.27 C ATOM 1313 C ARG A 86 -3.291 2.642 -3.511 1.00 0.26 C ATOM 1314 O ARG A 86 -3.738 2.401 -4.632 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.990 2.189 -1.717 1.00 0.36 C ATOM 1316 CG ARG A 86 -6.145 2.774 -0.920 1.00 0.72 C ATOM 1317 CD ARG A 86 -7.104 1.707 -0.414 1.00 0.54 C ATOM 1318 NE ARG A 86 -8.075 1.320 -1.435 1.00 1.21 N ATOM 1319 CZ ARG A 86 -9.386 1.199 -1.215 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -9.898 1.456 -0.018 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -10.191 0.831 -2.203 1.00 2.29 N ATOM 0 H ARG A 86 -5.731 3.850 -3.683 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.524 3.747 -1.705 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -5.380 1.483 -2.450 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -4.339 1.627 -1.047 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -5.750 3.334 -0.072 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -6.691 3.482 -1.544 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -6.538 0.830 -0.100 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -7.630 2.079 0.465 1.00 0.54 H new ATOM 0 HE ARG A 86 -7.729 1.130 -2.376 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -9.288 1.749 0.745 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -10.901 1.360 0.139 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -9.808 0.641 -3.129 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -11.193 0.738 -2.037 1.00 2.29 H new ATOM 1335 N HIS A 87 -2.046 2.402 -3.166 1.00 0.19 N ATOM 1336 CA HIS A 87 -1.056 1.935 -4.119 1.00 0.18 C ATOM 1337 C HIS A 87 -0.733 0.468 -3.851 1.00 0.15 C ATOM 1338 O HIS A 87 -0.133 0.144 -2.832 1.00 0.14 O ATOM 1339 CB HIS A 87 0.211 2.787 -3.981 1.00 0.21 C ATOM 1340 CG HIS A 87 -0.050 4.268 -3.949 1.00 0.28 C ATOM 1341 ND1 HIS A 87 -0.326 5.021 -5.070 1.00 0.41 N ATOM 1342 CD2 HIS A 87 -0.079 5.134 -2.909 1.00 0.36 C ATOM 1343 CE1 HIS A 87 -0.511 6.280 -4.719 1.00 0.50 C ATOM 1344 NE2 HIS A 87 -0.366 6.377 -3.411 1.00 0.47 N ATOM 0 H HIS A 87 -1.688 2.524 -2.219 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.447 2.027 -5.132 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.732 2.500 -3.068 1.00 0.21 H new ATOM 0 HB3 HIS A 87 0.879 2.564 -4.813 1.00 0.21 H new ATOM 0 HD2 HIS A 87 0.093 4.890 -1.871 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -0.742 7.094 -5.390 1.00 0.50 H new ATOM 0 HE2 HIS A 87 -0.453 7.234 -2.865 1.00 0.47 H new ATOM 1353 N MET A 88 -1.119 -0.412 -4.759 1.00 0.16 N ATOM 1354 CA MET A 88 -0.931 -1.844 -4.549 1.00 0.15 C ATOM 1355 C MET A 88 0.221 -2.375 -5.396 1.00 0.20 C ATOM 1356 O MET A 88 0.210 -2.252 -6.621 1.00 0.30 O ATOM 1357 CB MET A 88 -2.220 -2.611 -4.873 1.00 0.20 C ATOM 1358 CG MET A 88 -2.129 -4.098 -4.560 1.00 0.23 C ATOM 1359 SD MET A 88 -3.606 -5.026 -5.037 1.00 0.32 S ATOM 1360 CE MET A 88 -4.841 -4.349 -3.924 1.00 0.42 C ATOM 0 H MET A 88 -1.562 -0.166 -5.644 1.00 0.16 H new ATOM 0 HA MET A 88 -0.685 -1.998 -3.498 1.00 0.15 H new ATOM 0 HB2 MET A 88 -3.045 -2.177 -4.308 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.455 -2.483 -5.929 1.00 0.20 H new ATOM 0 HG2 MET A 88 -1.264 -4.517 -5.074 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.958 -4.227 -3.491 1.00 0.23 H new ATOM 0 HE1 MET A 88 -5.717 -4.997 -3.915 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.427 -4.284 -2.918 1.00 0.42 H new ATOM 0 HE3 MET A 88 -5.130 -3.354 -4.263 1.00 0.42 H new ATOM 1370 N PHE A 89 1.215 -2.963 -4.737 1.00 0.18 N ATOM 1371 CA PHE A 89 2.352 -3.534 -5.427 1.00 0.28 C ATOM 1372 C PHE A 89 2.437 -5.024 -5.131 1.00 0.31 C ATOM 1373 O PHE A 89 2.485 -5.433 -3.970 1.00 0.43 O ATOM 1374 CB PHE A 89 3.642 -2.840 -5.003 1.00 0.34 C ATOM 1375 CG PHE A 89 3.670 -1.374 -5.327 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.133 -0.454 -4.451 1.00 0.93 C ATOM 1377 CD2 PHE A 89 4.250 -0.919 -6.498 1.00 0.81 C ATOM 1378 CE1 PHE A 89 3.169 0.900 -4.733 1.00 1.26 C ATOM 1379 CE2 PHE A 89 4.285 0.430 -6.789 1.00 1.17 C ATOM 1380 CZ PHE A 89 3.745 1.342 -5.905 1.00 1.33 C ATOM 0 H PHE A 89 1.250 -3.053 -3.722 1.00 0.18 H new ATOM 0 HA PHE A 89 2.221 -3.388 -6.499 1.00 0.28 H new ATOM 0 HB2 PHE A 89 3.778 -2.969 -3.929 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.485 -3.328 -5.492 1.00 0.34 H new ATOM 0 HD1 PHE A 89 2.678 -0.795 -3.533 1.00 0.93 H new ATOM 0 HD2 PHE A 89 4.680 -1.627 -7.192 1.00 0.81 H new ATOM 0 HE1 PHE A 89 2.747 1.609 -4.036 1.00 1.26 H new ATOM 0 HE2 PHE A 89 4.735 0.772 -7.709 1.00 1.17 H new ATOM 0 HZ PHE A 89 3.774 2.398 -6.130 1.00 1.33 H new ATOM 1390 N SER A 90 2.451 -5.834 -6.171 1.00 0.26 N ATOM 1391 CA SER A 90 2.452 -7.271 -6.011 1.00 0.26 C ATOM 1392 C SER A 90 3.873 -7.807 -5.938 1.00 0.23 C ATOM 1393 O SER A 90 4.725 -7.441 -6.734 1.00 0.24 O ATOM 1394 CB SER A 90 1.697 -7.922 -7.171 1.00 0.28 C ATOM 1395 OG SER A 90 0.370 -7.426 -7.257 1.00 0.94 O ATOM 0 H SER A 90 2.462 -5.517 -7.140 1.00 0.26 H new ATOM 0 HA SER A 90 1.950 -7.517 -5.075 1.00 0.26 H new ATOM 0 HB2 SER A 90 2.223 -7.728 -8.106 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.677 -9.003 -7.035 1.00 0.28 H new ATOM 0 HG SER A 90 -0.092 -7.856 -8.007 1.00 0.94 H new ATOM 1401 N PHE A 91 4.123 -8.668 -4.977 1.00 0.21 N ATOM 1402 CA PHE A 91 5.428 -9.308 -4.858 1.00 0.21 C ATOM 1403 C PHE A 91 5.361 -10.777 -5.249 1.00 0.23 C ATOM 1404 O PHE A 91 4.291 -11.313 -5.524 1.00 0.28 O ATOM 1405 CB PHE A 91 5.971 -9.179 -3.434 1.00 0.30 C ATOM 1406 CG PHE A 91 6.670 -7.877 -3.186 1.00 0.63 C ATOM 1407 CD1 PHE A 91 7.876 -7.608 -3.803 1.00 0.91 C ATOM 1408 CD2 PHE A 91 6.128 -6.928 -2.343 1.00 0.99 C ATOM 1409 CE1 PHE A 91 8.531 -6.415 -3.585 1.00 1.20 C ATOM 1410 CE2 PHE A 91 6.780 -5.733 -2.120 1.00 1.29 C ATOM 1411 CZ PHE A 91 7.982 -5.476 -2.742 1.00 1.33 C ATOM 0 H PHE A 91 3.447 -8.945 -4.265 1.00 0.21 H new ATOM 0 HA PHE A 91 6.104 -8.796 -5.544 1.00 0.21 H new ATOM 0 HB2 PHE A 91 5.148 -9.283 -2.727 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.663 -9.999 -3.240 1.00 0.30 H new ATOM 0 HD1 PHE A 91 8.311 -8.342 -4.465 1.00 0.91 H new ATOM 0 HD2 PHE A 91 5.185 -7.123 -1.854 1.00 0.99 H new ATOM 0 HE1 PHE A 91 9.473 -6.218 -4.075 1.00 1.20 H new ATOM 0 HE2 PHE A 91 6.348 -4.998 -1.457 1.00 1.29 H new ATOM 0 HZ PHE A 91 8.492 -4.540 -2.569 1.00 1.33 H new ATOM 1421 N ASN A 92 6.527 -11.410 -5.299 1.00 0.31 N ATOM 1422 CA ASN A 92 6.632 -12.814 -5.681 1.00 0.39 C ATOM 1423 C ASN A 92 7.111 -13.642 -4.504 1.00 0.35 C ATOM 1424 O ASN A 92 7.302 -14.852 -4.613 1.00 0.42 O ATOM 1425 CB ASN A 92 7.610 -12.973 -6.846 1.00 0.51 C ATOM 1426 CG ASN A 92 7.119 -12.339 -8.138 1.00 0.80 C ATOM 1427 OD1 ASN A 92 7.894 -11.715 -8.863 1.00 1.53 O ATOM 1428 ND2 ASN A 92 5.847 -12.527 -8.459 1.00 1.27 N ATOM 0 H ASN A 92 7.420 -10.969 -5.078 1.00 0.31 H new ATOM 0 HA ASN A 92 5.646 -13.163 -5.989 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.566 -12.527 -6.572 1.00 0.51 H new ATOM 0 HB3 ASN A 92 7.791 -14.034 -7.017 1.00 0.51 H new ATOM 0 HD21 ASN A 92 5.480 -12.149 -9.333 1.00 1.27 H new ATOM 0 HD22 ASN A 92 5.235 -13.050 -7.833 1.00 1.27 H new ATOM 1435 N ASN A 93 7.318 -12.976 -3.381 1.00 0.30 N ATOM 1436 CA ASN A 93 7.769 -13.642 -2.173 1.00 0.32 C ATOM 1437 C ASN A 93 7.158 -12.974 -0.953 1.00 0.28 C ATOM 1438 O ASN A 93 7.258 -11.755 -0.783 1.00 0.23 O ATOM 1439 CB ASN A 93 9.296 -13.598 -2.103 1.00 0.37 C ATOM 1440 CG ASN A 93 9.881 -14.479 -1.013 1.00 0.44 C ATOM 1441 OD1 ASN A 93 9.286 -14.667 0.047 1.00 0.71 O ATOM 1442 ND2 ASN A 93 11.057 -15.023 -1.265 1.00 0.83 N ATOM 0 H ASN A 93 7.180 -11.970 -3.281 1.00 0.30 H new ATOM 0 HA ASN A 93 7.448 -14.684 -2.191 1.00 0.32 H new ATOM 0 HB2 ASN A 93 9.704 -13.906 -3.066 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.614 -12.569 -1.936 1.00 0.37 H new ATOM 0 HD21 ASN A 93 11.502 -15.622 -0.569 1.00 0.83 H new ATOM 0 HD22 ASN A 93 11.521 -14.845 -2.156 1.00 0.83 H new ATOM 1449 N ARG A 94 6.520 -13.779 -0.113 1.00 0.34 N ATOM 1450 CA ARG A 94 5.815 -13.275 1.055 1.00 0.37 C ATOM 1451 C ARG A 94 6.793 -12.787 2.113 1.00 0.30 C ATOM 1452 O ARG A 94 6.436 -11.984 2.968 1.00 0.27 O ATOM 1453 CB ARG A 94 4.892 -14.340 1.623 1.00 0.57 C ATOM 1454 CG ARG A 94 3.661 -13.781 2.239 1.00 0.90 C ATOM 1455 CD ARG A 94 3.558 -14.338 3.614 1.00 0.71 C ATOM 1456 NE ARG A 94 3.525 -15.802 3.608 1.00 0.99 N ATOM 1457 CZ ARG A 94 4.014 -16.566 4.581 1.00 1.35 C ATOM 1458 NH1 ARG A 94 4.531 -16.014 5.671 1.00 2.16 N ATOM 1459 NH2 ARG A 94 3.973 -17.887 4.463 1.00 1.70 N ATOM 0 H ARG A 94 6.477 -14.792 -0.222 1.00 0.34 H new ATOM 0 HA ARG A 94 5.207 -12.426 0.744 1.00 0.37 H new ATOM 0 HB2 ARG A 94 4.611 -15.030 0.827 1.00 0.57 H new ATOM 0 HB3 ARG A 94 5.434 -14.919 2.371 1.00 0.57 H new ATOM 0 HG2 ARG A 94 3.707 -12.692 2.269 1.00 0.90 H new ATOM 0 HG3 ARG A 94 2.783 -14.047 1.651 1.00 0.90 H new ATOM 0 HD2 ARG A 94 4.405 -13.996 4.209 1.00 0.71 H new ATOM 0 HD3 ARG A 94 2.657 -13.956 4.094 1.00 0.71 H new ATOM 0 HE ARG A 94 3.099 -16.266 2.806 1.00 0.99 H new ATOM 0 HH11 ARG A 94 4.555 -14.999 5.766 1.00 2.16 H new ATOM 0 HH12 ARG A 94 4.904 -16.605 6.414 1.00 2.16 H new ATOM 0 HH21 ARG A 94 3.568 -18.312 3.629 1.00 1.70 H new ATOM 0 HH22 ARG A 94 4.347 -18.477 5.206 1.00 1.70 H new ATOM 1473 N THR A 95 8.031 -13.253 2.043 1.00 0.30 N ATOM 1474 CA THR A 95 9.070 -12.760 2.928 1.00 0.27 C ATOM 1475 C THR A 95 9.480 -11.346 2.520 1.00 0.21 C ATOM 1476 O THR A 95 9.429 -10.426 3.327 1.00 0.18 O ATOM 1477 CB THR A 95 10.301 -13.683 2.927 1.00 0.32 C ATOM 1478 OG1 THR A 95 9.933 -14.989 3.397 1.00 0.40 O ATOM 1479 CG2 THR A 95 11.398 -13.108 3.806 1.00 0.32 C ATOM 0 H THR A 95 8.338 -13.969 1.385 1.00 0.30 H new ATOM 0 HA THR A 95 8.664 -12.744 3.939 1.00 0.27 H new ATOM 0 HB THR A 95 10.677 -13.761 1.907 1.00 0.32 H new ATOM 0 HG1 THR A 95 10.721 -15.572 3.392 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.261 -13.774 3.793 1.00 0.32 H new ATOM 0 HG22 THR A 95 11.690 -12.128 3.429 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.031 -13.009 4.828 1.00 0.32 H new ATOM 1487 N VAL A 96 9.874 -11.188 1.255 1.00 0.23 N ATOM 1488 CA VAL A 96 10.176 -9.874 0.683 1.00 0.21 C ATOM 1489 C VAL A 96 9.111 -8.862 1.040 1.00 0.19 C ATOM 1490 O VAL A 96 9.405 -7.814 1.606 1.00 0.19 O ATOM 1491 CB VAL A 96 10.250 -9.930 -0.856 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.444 -8.533 -1.436 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.364 -10.859 -1.307 1.00 0.29 C ATOM 0 H VAL A 96 9.992 -11.962 0.601 1.00 0.23 H new ATOM 0 HA VAL A 96 11.140 -9.579 1.098 1.00 0.21 H new ATOM 0 HB VAL A 96 9.306 -10.326 -1.229 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.494 -8.594 -2.523 1.00 0.28 H new ATOM 0 HG12 VAL A 96 9.606 -7.899 -1.146 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.371 -8.106 -1.054 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.399 -10.884 -2.396 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.317 -10.498 -0.922 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.176 -11.863 -0.927 1.00 0.29 H new ATOM 1503 N MET A 97 7.874 -9.179 0.703 1.00 0.19 N ATOM 1504 CA MET A 97 6.785 -8.265 0.947 1.00 0.19 C ATOM 1505 C MET A 97 6.579 -8.038 2.441 1.00 0.17 C ATOM 1506 O MET A 97 6.149 -6.969 2.849 1.00 0.19 O ATOM 1507 CB MET A 97 5.516 -8.769 0.267 1.00 0.21 C ATOM 1508 CG MET A 97 4.884 -9.987 0.903 1.00 0.22 C ATOM 1509 SD MET A 97 3.266 -9.642 1.611 1.00 0.29 S ATOM 1510 CE MET A 97 3.691 -9.359 3.318 1.00 0.17 C ATOM 0 H MET A 97 7.604 -10.058 0.262 1.00 0.19 H new ATOM 0 HA MET A 97 7.037 -7.297 0.514 1.00 0.19 H new ATOM 0 HB2 MET A 97 4.783 -7.962 0.258 1.00 0.21 H new ATOM 0 HB3 MET A 97 5.748 -9.001 -0.773 1.00 0.21 H new ATOM 0 HG2 MET A 97 4.788 -10.774 0.155 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.543 -10.368 1.683 1.00 0.22 H new ATOM 0 HE1 MET A 97 2.804 -9.485 3.939 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.455 -10.073 3.626 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.074 -8.345 3.434 1.00 0.17 H new ATOM 1520 N ASP A 98 6.920 -9.023 3.263 1.00 0.16 N ATOM 1521 CA ASP A 98 6.823 -8.853 4.711 1.00 0.16 C ATOM 1522 C ASP A 98 7.882 -7.866 5.168 1.00 0.15 C ATOM 1523 O ASP A 98 7.664 -7.064 6.075 1.00 0.22 O ATOM 1524 CB ASP A 98 7.001 -10.187 5.436 1.00 0.21 C ATOM 1525 CG ASP A 98 6.918 -10.045 6.944 1.00 0.30 C ATOM 1526 OD1 ASP A 98 5.822 -9.734 7.455 1.00 0.38 O ATOM 1527 OD2 ASP A 98 7.945 -10.241 7.625 1.00 0.39 O ATOM 0 H ASP A 98 7.261 -9.935 2.960 1.00 0.16 H new ATOM 0 HA ASP A 98 5.831 -8.471 4.954 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.236 -10.886 5.098 1.00 0.21 H new ATOM 0 HB3 ASP A 98 7.966 -10.617 5.167 1.00 0.21 H new ATOM 1532 N ASN A 99 9.004 -7.902 4.473 1.00 0.12 N ATOM 1533 CA ASN A 99 10.142 -7.046 4.769 1.00 0.13 C ATOM 1534 C ASN A 99 9.849 -5.628 4.307 1.00 0.15 C ATOM 1535 O ASN A 99 10.079 -4.657 5.022 1.00 0.24 O ATOM 1536 CB ASN A 99 11.388 -7.580 4.052 1.00 0.22 C ATOM 1537 CG ASN A 99 11.825 -8.941 4.553 1.00 0.71 C ATOM 1538 OD1 ASN A 99 12.273 -9.793 3.641 1.00 1.55 O flip ATOM 1539 ND2 ASN A 99 11.733 -9.241 5.741 1.00 0.50 N flip ATOM 0 H ASN A 99 9.154 -8.529 3.682 1.00 0.12 H new ATOM 0 HA ASN A 99 10.321 -7.042 5.844 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.186 -7.641 2.983 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.206 -6.872 4.182 1.00 0.22 H new ATOM 0 HD21 ASN A 99 11.384 -8.559 6.414 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.006 -10.172 6.054 1.00 0.50 H new ATOM 1546 N ILE A 100 9.337 -5.533 3.095 1.00 0.12 N ATOM 1547 CA ILE A 100 8.900 -4.269 2.523 1.00 0.12 C ATOM 1548 C ILE A 100 7.804 -3.649 3.375 1.00 0.11 C ATOM 1549 O ILE A 100 7.889 -2.486 3.772 1.00 0.13 O ATOM 1550 CB ILE A 100 8.370 -4.495 1.095 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.506 -4.947 0.191 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.733 -3.232 0.539 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.536 -3.869 -0.031 1.00 0.11 C ATOM 0 H ILE A 100 9.211 -6.333 2.475 1.00 0.12 H new ATOM 0 HA ILE A 100 9.753 -3.591 2.494 1.00 0.12 H new ATOM 0 HB ILE A 100 7.604 -5.270 1.133 1.00 0.11 H new ATOM 0 HG12 ILE A 100 9.989 -5.820 0.630 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.098 -5.258 -0.771 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.368 -3.422 -0.470 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.900 -2.934 1.176 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.473 -2.432 0.512 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.323 -4.247 -0.683 1.00 0.11 H new ATOM 0 HD12 ILE A 100 10.063 -3.004 -0.496 1.00 0.11 H new ATOM 0 HD13 ILE A 100 10.968 -3.575 0.926 1.00 0.11 H new ATOM 1565 N LYS A 101 6.784 -4.446 3.662 1.00 0.11 N ATOM 1566 CA LYS A 101 5.668 -4.003 4.476 1.00 0.12 C ATOM 1567 C LYS A 101 6.150 -3.516 5.840 1.00 0.11 C ATOM 1568 O LYS A 101 5.764 -2.442 6.297 1.00 0.14 O ATOM 1569 CB LYS A 101 4.660 -5.141 4.654 1.00 0.18 C ATOM 1570 CG LYS A 101 3.709 -4.949 5.826 1.00 0.89 C ATOM 1571 CD LYS A 101 3.439 -6.262 6.555 1.00 0.75 C ATOM 1572 CE LYS A 101 4.610 -6.683 7.439 1.00 0.42 C ATOM 1573 NZ LYS A 101 4.756 -5.809 8.638 1.00 1.11 N ATOM 0 H LYS A 101 6.710 -5.410 3.338 1.00 0.11 H new ATOM 0 HA LYS A 101 5.182 -3.172 3.965 1.00 0.12 H new ATOM 0 HB2 LYS A 101 4.076 -5.242 3.739 1.00 0.18 H new ATOM 0 HB3 LYS A 101 5.204 -6.076 4.790 1.00 0.18 H new ATOM 0 HG2 LYS A 101 4.132 -4.226 6.523 1.00 0.89 H new ATOM 0 HG3 LYS A 101 2.768 -4.532 5.467 1.00 0.89 H new ATOM 0 HD2 LYS A 101 2.543 -6.158 7.167 1.00 0.75 H new ATOM 0 HD3 LYS A 101 3.237 -7.046 5.825 1.00 0.75 H new ATOM 0 HE2 LYS A 101 4.468 -7.715 7.759 1.00 0.42 H new ATOM 0 HE3 LYS A 101 5.531 -6.654 6.857 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 5.763 -5.600 8.795 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 4.238 -4.920 8.485 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 4.369 -6.296 9.472 1.00 1.11 H new ATOM 1587 N MET A 102 7.003 -4.305 6.486 1.00 0.09 N ATOM 1588 CA MET A 102 7.478 -3.965 7.821 1.00 0.09 C ATOM 1589 C MET A 102 8.353 -2.717 7.772 1.00 0.09 C ATOM 1590 O MET A 102 8.438 -1.980 8.748 1.00 0.12 O ATOM 1591 CB MET A 102 8.220 -5.152 8.460 1.00 0.10 C ATOM 1592 CG MET A 102 9.614 -5.411 7.918 1.00 0.16 C ATOM 1593 SD MET A 102 10.898 -4.497 8.790 1.00 0.88 S ATOM 1594 CE MET A 102 10.836 -5.297 10.390 1.00 1.17 C ATOM 0 H MET A 102 7.376 -5.177 6.110 1.00 0.09 H new ATOM 0 HA MET A 102 6.616 -3.745 8.451 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.291 -4.979 9.534 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.621 -6.052 8.321 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.829 -6.478 7.983 1.00 0.16 H new ATOM 0 HG3 MET A 102 9.641 -5.144 6.862 1.00 0.16 H new ATOM 0 HE1 MET A 102 11.788 -5.161 10.902 1.00 1.17 H new ATOM 0 HE2 MET A 102 10.037 -4.856 10.986 1.00 1.17 H new ATOM 0 HE3 MET A 102 10.645 -6.362 10.257 1.00 1.17 H new ATOM 1604 N THR A 103 8.971 -2.474 6.621 1.00 0.08 N ATOM 1605 CA THR A 103 9.748 -1.268 6.406 1.00 0.08 C ATOM 1606 C THR A 103 8.837 -0.051 6.408 1.00 0.08 C ATOM 1607 O THR A 103 9.030 0.890 7.176 1.00 0.09 O ATOM 1608 CB THR A 103 10.488 -1.327 5.057 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.443 -2.394 5.060 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.182 -0.022 4.750 1.00 0.11 C ATOM 0 H THR A 103 8.946 -3.104 5.820 1.00 0.08 H new ATOM 0 HA THR A 103 10.476 -1.191 7.214 1.00 0.08 H new ATOM 0 HB THR A 103 9.745 -1.508 4.281 1.00 0.10 H new ATOM 0 HG1 THR A 103 10.978 -3.250 4.951 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.694 -0.099 3.791 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.445 0.780 4.705 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.908 0.197 5.533 1.00 0.11 H new ATOM 1618 N LEU A 104 7.830 -0.098 5.551 1.00 0.08 N ATOM 1619 CA LEU A 104 6.933 1.025 5.371 1.00 0.09 C ATOM 1620 C LEU A 104 6.150 1.301 6.639 1.00 0.11 C ATOM 1621 O LEU A 104 6.176 2.408 7.152 1.00 0.13 O ATOM 1622 CB LEU A 104 5.956 0.742 4.229 1.00 0.09 C ATOM 1623 CG LEU A 104 6.589 0.448 2.869 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.678 -0.408 2.028 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.880 1.724 2.134 1.00 0.11 C ATOM 0 H LEU A 104 7.615 -0.907 4.968 1.00 0.08 H new ATOM 0 HA LEU A 104 7.536 1.900 5.130 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.334 -0.108 4.510 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.293 1.601 4.122 1.00 0.09 H new ATOM 0 HG LEU A 104 7.521 -0.088 3.048 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.150 -0.604 1.065 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.491 -1.352 2.540 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.733 0.112 1.870 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.330 1.493 1.169 1.00 0.11 H new ATOM 0 HD22 LEU A 104 5.952 2.275 1.979 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.569 2.332 2.720 1.00 0.11 H new ATOM 1637 N GLN A 105 5.444 0.290 7.126 1.00 0.12 N ATOM 1638 CA GLN A 105 4.636 0.415 8.347 1.00 0.18 C ATOM 1639 C GLN A 105 5.431 0.965 9.533 1.00 0.18 C ATOM 1640 O GLN A 105 4.845 1.546 10.449 1.00 0.22 O ATOM 1641 CB GLN A 105 4.007 -0.922 8.723 1.00 0.28 C ATOM 1642 CG GLN A 105 3.029 -1.406 7.681 1.00 0.39 C ATOM 1643 CD GLN A 105 2.378 -2.727 8.008 1.00 0.64 C ATOM 1644 OE1 GLN A 105 2.941 -3.565 8.705 1.00 1.45 O ATOM 1645 NE2 GLN A 105 1.201 -2.937 7.451 1.00 0.99 N ATOM 0 H GLN A 105 5.410 -0.634 6.696 1.00 0.12 H new ATOM 0 HA GLN A 105 3.851 1.135 8.119 1.00 0.18 H new ATOM 0 HB2 GLN A 105 4.792 -1.666 8.855 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.496 -0.824 9.681 1.00 0.28 H new ATOM 0 HG2 GLN A 105 2.252 -0.653 7.552 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.548 -1.496 6.727 1.00 0.39 H new ATOM 0 HE21 GLN A 105 0.771 -2.210 6.879 1.00 0.99 H new ATOM 0 HE22 GLN A 105 0.721 -3.826 7.592 1.00 0.99 H new ATOM 1654 N GLN A 106 6.753 0.800 9.519 1.00 0.17 N ATOM 1655 CA GLN A 106 7.596 1.382 10.545 1.00 0.20 C ATOM 1656 C GLN A 106 7.535 2.893 10.436 1.00 0.20 C ATOM 1657 O GLN A 106 7.452 3.611 11.426 1.00 0.36 O ATOM 1658 CB GLN A 106 9.027 0.919 10.368 1.00 0.25 C ATOM 1659 CG GLN A 106 9.370 -0.372 11.089 1.00 0.30 C ATOM 1660 CD GLN A 106 10.830 -0.744 10.930 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.702 0.122 10.839 1.00 0.65 O ATOM 1662 NE2 GLN A 106 11.107 -2.036 10.868 1.00 0.47 N ATOM 0 H GLN A 106 7.256 0.269 8.808 1.00 0.17 H new ATOM 0 HA GLN A 106 7.242 1.065 11.526 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.223 0.788 9.304 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.695 1.705 10.721 1.00 0.25 H new ATOM 0 HG2 GLN A 106 9.136 -0.268 12.149 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.747 -1.179 10.703 1.00 0.30 H new ATOM 0 HE21 GLN A 106 10.357 -2.723 10.948 1.00 0.47 H new ATOM 0 HE22 GLN A 106 12.071 -2.345 10.741 1.00 0.47 H new ATOM 1671 N ILE A 107 7.555 3.337 9.196 1.00 0.13 N ATOM 1672 CA ILE A 107 7.473 4.739 8.840 1.00 0.13 C ATOM 1673 C ILE A 107 6.065 5.271 9.067 1.00 0.14 C ATOM 1674 O ILE A 107 5.870 6.373 9.564 1.00 0.17 O ATOM 1675 CB ILE A 107 7.807 4.902 7.344 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.185 4.309 7.029 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.716 6.358 6.935 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.425 4.039 5.560 1.00 0.14 C ATOM 0 H ILE A 107 7.631 2.718 8.389 1.00 0.13 H new ATOM 0 HA ILE A 107 8.177 5.292 9.462 1.00 0.13 H new ATOM 0 HB ILE A 107 7.072 4.349 6.759 1.00 0.13 H new ATOM 0 HG12 ILE A 107 9.953 4.992 7.391 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.301 3.377 7.582 1.00 0.13 H new ATOM 0 HG21 ILE A 107 7.955 6.454 5.876 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.705 6.724 7.113 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.423 6.945 7.521 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.422 3.621 5.425 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.682 3.330 5.194 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.344 4.971 5.001 1.00 0.14 H new ATOM 1690 N ILE A 108 5.091 4.476 8.680 1.00 0.13 N ATOM 1691 CA ILE A 108 3.694 4.872 8.762 1.00 0.17 C ATOM 1692 C ILE A 108 3.280 5.081 10.215 1.00 0.23 C ATOM 1693 O ILE A 108 2.869 6.171 10.591 1.00 0.29 O ATOM 1694 CB ILE A 108 2.824 3.806 8.067 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.498 3.444 6.744 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.394 4.278 7.859 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.565 3.136 5.603 1.00 0.15 C ATOM 0 H ILE A 108 5.239 3.541 8.301 1.00 0.13 H new ATOM 0 HA ILE A 108 3.550 5.823 8.250 1.00 0.17 H new ATOM 0 HB ILE A 108 2.749 2.924 8.703 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.145 4.270 6.448 1.00 0.18 H new ATOM 0 HG13 ILE A 108 4.140 2.579 6.909 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.820 3.493 7.366 1.00 0.26 H new ATOM 0 HG22 ILE A 108 0.942 4.506 8.824 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.393 5.173 7.237 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.146 2.892 4.714 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.934 2.288 5.868 1.00 0.15 H new ATOM 0 HD13 ILE A 108 1.939 4.005 5.400 1.00 0.15 H new ATOM 1709 N SER A 109 3.423 4.051 11.028 1.00 0.28 N ATOM 1710 CA SER A 109 3.200 4.140 12.471 1.00 0.37 C ATOM 1711 C SER A 109 4.051 5.255 13.085 1.00 0.37 C ATOM 1712 O SER A 109 3.690 5.849 14.102 1.00 0.43 O ATOM 1713 CB SER A 109 3.527 2.795 13.131 1.00 0.45 C ATOM 1714 OG SER A 109 3.330 2.838 14.535 1.00 1.22 O ATOM 0 H SER A 109 3.698 3.122 10.711 1.00 0.28 H new ATOM 0 HA SER A 109 2.151 4.379 12.647 1.00 0.37 H new ATOM 0 HB2 SER A 109 2.899 2.016 12.699 1.00 0.45 H new ATOM 0 HB3 SER A 109 4.561 2.526 12.917 1.00 0.45 H new ATOM 0 HG SER A 109 3.546 1.964 14.923 1.00 1.22 H new ATOM 1720 N ARG A 110 5.161 5.555 12.431 1.00 0.33 N ATOM 1721 CA ARG A 110 6.040 6.635 12.834 1.00 0.35 C ATOM 1722 C ARG A 110 5.367 7.987 12.585 1.00 0.38 C ATOM 1723 O ARG A 110 5.708 8.994 13.205 1.00 0.48 O ATOM 1724 CB ARG A 110 7.348 6.509 12.050 1.00 0.34 C ATOM 1725 CG ARG A 110 7.942 7.804 11.587 1.00 1.27 C ATOM 1726 CD ARG A 110 9.239 7.532 10.869 1.00 1.25 C ATOM 1727 NE ARG A 110 9.938 8.740 10.454 1.00 2.39 N ATOM 1728 CZ ARG A 110 10.976 8.722 9.628 1.00 2.70 C ATOM 1729 NH1 ARG A 110 11.400 7.563 9.135 1.00 1.97 N ATOM 1730 NH2 ARG A 110 11.587 9.848 9.297 1.00 3.79 N ATOM 0 H ARG A 110 5.477 5.052 11.602 1.00 0.33 H new ATOM 0 HA ARG A 110 6.254 6.572 13.901 1.00 0.35 H new ATOM 0 HB2 ARG A 110 8.079 5.995 12.674 1.00 0.34 H new ATOM 0 HB3 ARG A 110 7.172 5.877 11.180 1.00 0.34 H new ATOM 0 HG2 ARG A 110 7.247 8.319 10.923 1.00 1.27 H new ATOM 0 HG3 ARG A 110 8.116 8.462 12.438 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.891 6.950 11.521 1.00 1.25 H new ATOM 0 HD3 ARG A 110 9.037 6.919 9.991 1.00 1.25 H new ATOM 0 HE ARG A 110 9.616 9.638 10.814 1.00 2.39 H new ATOM 0 HH11 ARG A 110 10.928 6.696 9.392 1.00 1.97 H new ATOM 0 HH12 ARG A 110 12.197 7.540 8.499 1.00 1.97 H new ATOM 0 HH21 ARG A 110 11.260 10.736 9.677 1.00 3.79 H new ATOM 0 HH22 ARG A 110 12.385 9.828 8.661 1.00 3.79 H new ATOM 1744 N TYR A 111 4.370 7.989 11.707 1.00 0.34 N ATOM 1745 CA TYR A 111 3.658 9.195 11.359 1.00 0.41 C ATOM 1746 C TYR A 111 2.322 9.197 12.081 1.00 0.49 C ATOM 1747 O TYR A 111 1.562 10.159 12.036 1.00 0.60 O ATOM 1748 CB TYR A 111 3.492 9.295 9.839 1.00 0.37 C ATOM 1749 CG TYR A 111 4.678 9.952 9.170 1.00 0.38 C ATOM 1750 CD1 TYR A 111 4.777 11.335 9.087 1.00 0.48 C ATOM 1751 CD2 TYR A 111 5.706 9.191 8.641 1.00 0.34 C ATOM 1752 CE1 TYR A 111 5.869 11.937 8.491 1.00 0.53 C ATOM 1753 CE2 TYR A 111 6.804 9.782 8.047 1.00 0.40 C ATOM 1754 CZ TYR A 111 6.879 11.156 7.974 1.00 0.48 C ATOM 1755 OH TYR A 111 7.974 11.749 7.387 1.00 0.55 O ATOM 0 H TYR A 111 4.040 7.154 11.223 1.00 0.34 H new ATOM 0 HA TYR A 111 4.223 10.073 11.673 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.353 8.296 9.425 1.00 0.37 H new ATOM 0 HB3 TYR A 111 2.590 9.863 9.612 1.00 0.37 H new ATOM 0 HD1 TYR A 111 3.988 11.950 9.495 1.00 0.48 H new ATOM 0 HD2 TYR A 111 5.648 8.114 8.694 1.00 0.34 H new ATOM 0 HE1 TYR A 111 5.930 13.014 8.431 1.00 0.53 H new ATOM 0 HE2 TYR A 111 7.598 9.172 7.643 1.00 0.40 H new ATOM 0 HH TYR A 111 8.593 11.056 7.075 1.00 0.55 H new ATOM 2059 N PHE B 261 -5.320 -8.522 2.388 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.095 -8.260 3.112 1.00 0.48 C ATOM 2061 C PHE B 261 -4.397 -8.044 4.586 1.00 0.66 C ATOM 2062 O PHE B 261 -5.558 -8.012 4.994 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.407 -7.020 2.537 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.290 -7.024 1.037 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.153 -8.209 0.335 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -3.331 -5.837 0.327 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -3.063 -8.211 -1.038 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -3.243 -5.834 -1.048 1.00 0.75 C ATOM 2069 CZ PHE B 261 -3.109 -7.023 -1.732 1.00 0.62 C ATOM 0 HA PHE B 261 -3.432 -9.119 3.008 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -3.962 -6.134 2.845 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.409 -6.938 2.969 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.116 -9.145 0.872 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -3.433 -4.902 0.857 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -2.956 -9.144 -1.571 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -3.279 -4.900 -1.590 1.00 0.75 H new ATOM 0 HZ PHE B 261 -3.040 -7.023 -2.810 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.357 -7.912 5.384 1.00 0.55 N ATOM 2080 CA VAL B 262 -3.518 -7.619 6.795 1.00 0.67 C ATOM 2081 C VAL B 262 -2.399 -6.696 7.260 1.00 0.54 C ATOM 2082 O VAL B 262 -1.254 -6.813 6.818 1.00 0.50 O ATOM 2083 CB VAL B 262 -3.528 -8.912 7.650 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -2.168 -9.592 7.642 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -3.975 -8.617 9.074 1.00 1.14 C ATOM 0 H VAL B 262 -2.388 -8.003 5.079 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.481 -7.125 6.928 1.00 0.67 H new ATOM 0 HB VAL B 262 -4.246 -9.599 7.202 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -2.209 -10.495 8.251 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -1.899 -9.856 6.619 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -1.419 -8.913 8.050 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -3.974 -9.540 9.654 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -3.291 -7.901 9.529 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -4.981 -8.198 9.060 1.00 1.14 H new ATOM 2095 N GLU B 263 -2.740 -5.752 8.113 1.00 0.57 N ATOM 2096 CA GLU B 263 -1.744 -4.879 8.694 1.00 0.55 C ATOM 2097 C GLU B 263 -1.013 -5.633 9.799 1.00 0.56 C ATOM 2098 O GLU B 263 -1.631 -6.072 10.768 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.420 -3.628 9.255 1.00 0.73 C ATOM 2100 CG GLU B 263 -1.454 -2.518 9.627 1.00 1.21 C ATOM 2101 CD GLU B 263 -2.149 -1.344 10.280 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -3.273 -0.996 9.855 1.00 2.20 O ATOM 2103 OE2 GLU B 263 -1.583 -0.769 11.232 1.00 2.24 O ATOM 0 H GLU B 263 -3.696 -5.571 8.418 1.00 0.57 H new ATOM 0 HA GLU B 263 -1.026 -4.571 7.934 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -3.127 -3.248 8.518 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -2.997 -3.904 10.137 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -0.696 -2.911 10.305 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -0.934 -2.177 8.732 1.00 1.21 H new