USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 844 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 118 GLN : amide:sc= -5.78! C(o=-4.9!,f=-5.1!) USER MOD Set 1.2: A 122 GLN : amide:sc= 0.869 K(o=-4.9,f=-5.8) USER MOD Set 2.1: A 83 LYS NZ :NH3+ -159:sc= 1.2 (180deg=0) USER MOD Set 2.2: A 95 THR OG1 : rot -80:sc= 2.11 USER MOD Set 2.3: A 103 THR OG1 : rot 180:sc= 0.933 USER MOD Set 3.1: A 35 THR OG1 : rot 154:sc= 0.539 USER MOD Set 3.2: A 36 HIS : no HE2:sc= -0.18 X(o=0.36,f=0.14) USER MOD Set 4.1: A 28 THR OG1 : rot 80:sc= 2.28 USER MOD Set 4.2: A 45 THR OG1 : rot 94:sc= 1.32 USER MOD Set 5.1: A 19 LYS NZ :NH3+ 170:sc= -0.015 (180deg=-0.122) USER MOD Set 5.2: A 23 TYR OH : rot 30:sc=-0.00371 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -141:sc= -0.273 (180deg=-1.08) USER MOD Single : A 22 GLN :FLIP amide:sc= -3.6! C(o=-5.5!,f=-3.6!) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 1.23 (180deg=0.9) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.0948 (180deg=-0.45) USER MOD Single : A 34 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00784) USER MOD Single : A 39 SER OG : rot 46:sc= 0.0761 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot -130:sc= -3.26! USER MOD Single : A 47 SER OG : rot 180:sc= 0.00221 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.852 F(o=-2.9!,f=-0.85) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -177:sc= -2! USER MOD Single : A 78 LYS NZ :NH3+ -153:sc= 1.21 (180deg=1.13) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -8:sc= 1.05 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -4.08! C(o=-4.7!,f=-4.1!) USER MOD Single : A 88 ASN : amide:sc= -0.969 X(o=-0.97,f=-0.56) USER MOD Single : A 89 THR OG1 : rot 58:sc= 1.27 USER MOD Single : A 90 LYS NZ :NH3+ 165:sc=-0.00711 (180deg=-0.403) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.054) USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 102 THR OG1 : rot 69:sc= 0.983 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -0.203 F(o=-3.2!,f=-0.2) USER MOD Single : A 107 THR OG1 : rot -105:sc= -2.61! USER MOD Single : A 109 LYS NZ :NH3+ -165:sc= -0.0498 (180deg=-0.323) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 79:sc= 0.831 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.221 F(o=-1.8,f=-0.22) USER MOD Single : A 123 SER OG : rot 76:sc= 0.32 USER MOD Single : A 125 MET CE :methyl 168:sc= -0.0253 (180deg=-0.459) USER MOD Single : A 126 LYS NZ :NH3+ -167:sc= -0.0361 (180deg=-0.242) USER MOD Single : A 128 MET CE :methyl 146:sc= -0.364 (180deg=-2.76!) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 16 17.846 1.462 2.415 1.00 0.40 N ATOM 67 CA ARG A 16 16.545 1.452 1.785 1.00 0.34 C ATOM 68 C ARG A 16 15.772 0.211 2.191 1.00 0.29 C ATOM 69 O ARG A 16 14.646 0.315 2.648 1.00 0.24 O ATOM 70 CB ARG A 16 16.690 1.519 0.263 1.00 0.41 C ATOM 71 CG ARG A 16 15.422 1.169 -0.498 1.00 0.40 C ATOM 72 CD ARG A 16 15.703 1.016 -1.979 1.00 0.51 C ATOM 73 NE ARG A 16 15.992 2.295 -2.626 1.00 1.04 N ATOM 74 CZ ARG A 16 16.134 2.445 -3.942 1.00 1.14 C ATOM 75 NH1 ARG A 16 15.993 1.400 -4.751 1.00 0.97 N ATOM 76 NH2 ARG A 16 16.410 3.639 -4.450 1.00 1.88 N ATOM 0 HA ARG A 16 15.990 2.329 2.118 1.00 0.34 H new ATOM 0 HB2 ARG A 16 17.003 2.525 -0.017 1.00 0.41 H new ATOM 0 HB3 ARG A 16 17.485 0.840 -0.046 1.00 0.41 H new ATOM 0 HG2 ARG A 16 15.002 0.242 -0.106 1.00 0.40 H new ATOM 0 HG3 ARG A 16 14.675 1.947 -0.344 1.00 0.40 H new ATOM 0 HD2 ARG A 16 16.548 0.342 -2.118 1.00 0.51 H new ATOM 0 HD3 ARG A 16 14.843 0.553 -2.463 1.00 0.51 H new ATOM 0 HE ARG A 16 16.091 3.121 -2.035 1.00 1.04 H new ATOM 0 HH11 ARG A 16 15.776 0.481 -4.364 1.00 0.97 H new ATOM 0 HH12 ARG A 16 16.102 1.517 -5.758 1.00 0.97 H new ATOM 0 HH21 ARG A 16 16.514 4.444 -3.833 1.00 1.88 H new ATOM 0 HH22 ARG A 16 16.518 3.752 -5.458 1.00 1.88 H new ATOM 90 N MET A 17 16.391 -0.955 2.048 1.00 0.34 N ATOM 91 CA MET A 17 15.761 -2.211 2.453 1.00 0.35 C ATOM 92 C MET A 17 15.355 -2.142 3.922 1.00 0.31 C ATOM 93 O MET A 17 14.324 -2.674 4.337 1.00 0.31 O ATOM 94 CB MET A 17 16.729 -3.374 2.252 1.00 0.43 C ATOM 95 CG MET A 17 17.258 -3.495 0.837 1.00 0.50 C ATOM 96 SD MET A 17 18.556 -4.739 0.693 1.00 0.63 S ATOM 97 CE MET A 17 19.077 -4.469 -0.999 1.00 1.78 C ATOM 0 H MET A 17 17.327 -1.059 1.656 1.00 0.34 H new ATOM 0 HA MET A 17 14.875 -2.369 1.838 1.00 0.35 H new ATOM 0 HB2 MET A 17 17.570 -3.256 2.935 1.00 0.43 H new ATOM 0 HB3 MET A 17 16.227 -4.303 2.522 1.00 0.43 H new ATOM 0 HG2 MET A 17 16.438 -3.750 0.166 1.00 0.50 H new ATOM 0 HG3 MET A 17 17.646 -2.529 0.513 1.00 0.50 H new ATOM 0 HE1 MET A 17 19.880 -5.163 -1.248 1.00 1.78 H new ATOM 0 HE2 MET A 17 18.234 -4.634 -1.670 1.00 1.78 H new ATOM 0 HE3 MET A 17 19.435 -3.445 -1.111 1.00 1.78 H new ATOM 107 N LYS A 18 16.189 -1.464 4.687 1.00 0.31 N ATOM 108 CA LYS A 18 15.979 -1.250 6.107 1.00 0.32 C ATOM 109 C LYS A 18 14.854 -0.242 6.359 1.00 0.28 C ATOM 110 O LYS A 18 14.079 -0.399 7.289 1.00 0.31 O ATOM 111 CB LYS A 18 17.322 -0.786 6.702 1.00 0.39 C ATOM 112 CG LYS A 18 17.241 0.227 7.833 1.00 0.48 C ATOM 113 CD LYS A 18 16.689 -0.392 9.108 1.00 0.64 C ATOM 114 CE LYS A 18 16.605 0.628 10.230 1.00 1.12 C ATOM 115 NZ LYS A 18 16.087 0.033 11.487 1.00 1.61 N ATOM 0 H LYS A 18 17.046 -1.039 4.334 1.00 0.31 H new ATOM 0 HA LYS A 18 15.659 -2.172 6.593 1.00 0.32 H new ATOM 0 HB2 LYS A 18 17.857 -1.663 7.066 1.00 0.39 H new ATOM 0 HB3 LYS A 18 17.922 -0.357 5.900 1.00 0.39 H new ATOM 0 HG2 LYS A 18 18.233 0.635 8.027 1.00 0.48 H new ATOM 0 HG3 LYS A 18 16.607 1.060 7.530 1.00 0.48 H new ATOM 0 HD2 LYS A 18 15.699 -0.804 8.915 1.00 0.64 H new ATOM 0 HD3 LYS A 18 17.325 -1.222 9.416 1.00 0.64 H new ATOM 0 HE2 LYS A 18 17.593 1.051 10.410 1.00 1.12 H new ATOM 0 HE3 LYS A 18 15.957 1.450 9.925 1.00 1.12 H new ATOM 0 HZ1 LYS A 18 16.046 0.764 12.226 1.00 1.61 H new ATOM 0 HZ2 LYS A 18 15.133 -0.348 11.324 1.00 1.61 H new ATOM 0 HZ3 LYS A 18 16.718 -0.734 11.794 1.00 1.61 H new ATOM 129 N LYS A 19 14.774 0.794 5.549 1.00 0.25 N ATOM 130 CA LYS A 19 13.728 1.795 5.690 1.00 0.24 C ATOM 131 C LYS A 19 12.399 1.283 5.151 1.00 0.19 C ATOM 132 O LYS A 19 11.348 1.505 5.750 1.00 0.22 O ATOM 133 CB LYS A 19 14.129 3.086 4.986 1.00 0.27 C ATOM 134 CG LYS A 19 14.026 4.321 5.869 1.00 0.33 C ATOM 135 CD LYS A 19 12.628 4.490 6.444 1.00 0.38 C ATOM 136 CE LYS A 19 12.540 5.694 7.368 1.00 0.47 C ATOM 137 NZ LYS A 19 12.847 6.966 6.661 1.00 0.99 N ATOM 0 H LYS A 19 15.423 0.968 4.781 1.00 0.25 H new ATOM 0 HA LYS A 19 13.601 2.001 6.753 1.00 0.24 H new ATOM 0 HB2 LYS A 19 15.154 2.991 4.628 1.00 0.27 H new ATOM 0 HB3 LYS A 19 13.496 3.223 4.109 1.00 0.27 H new ATOM 0 HG2 LYS A 19 14.747 4.247 6.683 1.00 0.33 H new ATOM 0 HG3 LYS A 19 14.290 5.205 5.289 1.00 0.33 H new ATOM 0 HD2 LYS A 19 11.911 4.603 5.630 1.00 0.38 H new ATOM 0 HD3 LYS A 19 12.349 3.590 6.992 1.00 0.38 H new ATOM 0 HE2 LYS A 19 11.539 5.750 7.795 1.00 0.47 H new ATOM 0 HE3 LYS A 19 13.234 5.565 8.198 1.00 0.47 H new ATOM 0 HZ1 LYS A 19 12.613 7.771 7.277 1.00 0.99 H new ATOM 0 HZ2 LYS A 19 13.859 6.995 6.423 1.00 0.99 H new ATOM 0 HZ3 LYS A 19 12.284 7.023 5.788 1.00 0.99 H new ATOM 151 N VAL A 20 12.448 0.592 4.024 1.00 0.16 N ATOM 152 CA VAL A 20 11.245 0.065 3.408 1.00 0.15 C ATOM 153 C VAL A 20 10.620 -1.015 4.279 1.00 0.17 C ATOM 154 O VAL A 20 9.412 -1.181 4.268 1.00 0.19 O ATOM 155 CB VAL A 20 11.478 -0.483 1.981 1.00 0.17 C ATOM 156 CG1 VAL A 20 12.073 0.584 1.080 1.00 0.18 C ATOM 157 CG2 VAL A 20 12.362 -1.712 2.006 1.00 0.21 C ATOM 0 H VAL A 20 13.309 0.384 3.518 1.00 0.16 H new ATOM 0 HA VAL A 20 10.560 0.908 3.319 1.00 0.15 H new ATOM 0 HB VAL A 20 10.509 -0.772 1.575 1.00 0.17 H new ATOM 0 HG11 VAL A 20 12.227 0.173 0.082 1.00 0.18 H new ATOM 0 HG12 VAL A 20 11.391 1.433 1.022 1.00 0.18 H new ATOM 0 HG13 VAL A 20 13.028 0.914 1.488 1.00 0.18 H new ATOM 0 HG21 VAL A 20 12.509 -2.075 0.989 1.00 0.21 H new ATOM 0 HG22 VAL A 20 13.327 -1.457 2.443 1.00 0.21 H new ATOM 0 HG23 VAL A 20 11.887 -2.490 2.604 1.00 0.21 H new ATOM 167 N MET A 21 11.438 -1.757 5.030 1.00 0.19 N ATOM 168 CA MET A 21 10.906 -2.772 5.928 1.00 0.25 C ATOM 169 C MET A 21 10.132 -2.104 7.064 1.00 0.25 C ATOM 170 O MET A 21 9.154 -2.651 7.574 1.00 0.27 O ATOM 171 CB MET A 21 12.015 -3.663 6.481 1.00 0.38 C ATOM 172 CG MET A 21 12.883 -2.969 7.489 1.00 1.02 C ATOM 173 SD MET A 21 14.037 -4.071 8.328 1.00 2.01 S ATOM 174 CE MET A 21 12.920 -5.269 9.053 1.00 2.72 C ATOM 0 H MET A 21 12.455 -1.673 5.032 1.00 0.19 H new ATOM 0 HA MET A 21 10.227 -3.410 5.362 1.00 0.25 H new ATOM 0 HB2 MET A 21 11.569 -4.545 6.941 1.00 0.38 H new ATOM 0 HB3 MET A 21 12.636 -4.014 5.656 1.00 0.38 H new ATOM 0 HG2 MET A 21 13.445 -2.180 6.990 1.00 1.02 H new ATOM 0 HG3 MET A 21 12.248 -2.487 8.232 1.00 1.02 H new ATOM 0 HE1 MET A 21 13.273 -5.540 10.048 1.00 2.72 H new ATOM 0 HE2 MET A 21 11.922 -4.837 9.127 1.00 2.72 H new ATOM 0 HE3 MET A 21 12.885 -6.160 8.426 1.00 2.72 H new ATOM 184 N GLN A 22 10.576 -0.908 7.439 1.00 0.26 N ATOM 185 CA GLN A 22 9.868 -0.091 8.421 1.00 0.29 C ATOM 186 C GLN A 22 8.527 0.331 7.839 1.00 0.26 C ATOM 187 O GLN A 22 7.479 0.176 8.470 1.00 0.31 O ATOM 188 CB GLN A 22 10.671 1.166 8.782 1.00 0.33 C ATOM 189 CG GLN A 22 12.162 0.926 8.942 1.00 0.40 C ATOM 190 CD GLN A 22 12.935 2.197 9.242 1.00 0.60 C ATOM 191 OE1 GLN A 22 14.131 2.317 8.673 1.00 1.05 O flip ATOM 192 NE2 GLN A 22 12.443 3.092 9.929 1.00 0.52 N flip ATOM 0 H GLN A 22 11.428 -0.481 7.076 1.00 0.26 H new ATOM 0 HA GLN A 22 9.728 -0.683 9.325 1.00 0.29 H new ATOM 0 HB2 GLN A 22 10.516 1.918 8.008 1.00 0.33 H new ATOM 0 HB3 GLN A 22 10.279 1.580 9.711 1.00 0.33 H new ATOM 0 HG2 GLN A 22 12.325 0.209 9.746 1.00 0.40 H new ATOM 0 HG3 GLN A 22 12.553 0.476 8.029 1.00 0.40 H new ATOM 0 HE21 GLN A 22 11.523 2.964 10.350 1.00 0.52 H new ATOM 0 HE22 GLN A 22 12.956 3.961 10.077 1.00 0.52 H new ATOM 201 N TYR A 23 8.575 0.857 6.618 1.00 0.20 N ATOM 202 CA TYR A 23 7.375 1.278 5.912 1.00 0.19 C ATOM 203 C TYR A 23 6.469 0.093 5.621 1.00 0.17 C ATOM 204 O TYR A 23 5.252 0.211 5.671 1.00 0.18 O ATOM 205 CB TYR A 23 7.731 1.980 4.603 1.00 0.17 C ATOM 206 CG TYR A 23 8.257 3.382 4.789 1.00 0.21 C ATOM 207 CD1 TYR A 23 9.527 3.723 4.350 1.00 0.24 C ATOM 208 CD2 TYR A 23 7.494 4.361 5.411 1.00 0.26 C ATOM 209 CE1 TYR A 23 10.023 4.997 4.522 1.00 0.29 C ATOM 210 CE2 TYR A 23 7.984 5.638 5.588 1.00 0.31 C ATOM 211 CZ TYR A 23 9.201 5.971 5.117 1.00 0.32 C ATOM 212 OH TYR A 23 9.738 7.223 5.310 1.00 0.38 O ATOM 0 H TYR A 23 9.440 1.001 6.097 1.00 0.20 H new ATOM 0 HA TYR A 23 6.845 1.978 6.558 1.00 0.19 H new ATOM 0 HB2 TYR A 23 8.479 1.388 4.076 1.00 0.17 H new ATOM 0 HB3 TYR A 23 6.846 2.015 3.968 1.00 0.17 H new ATOM 0 HD1 TYR A 23 10.139 2.977 3.865 1.00 0.24 H new ATOM 0 HD2 TYR A 23 6.502 4.119 5.762 1.00 0.26 H new ATOM 0 HE1 TYR A 23 11.026 5.243 4.205 1.00 0.29 H new ATOM 0 HE2 TYR A 23 7.389 6.375 6.107 1.00 0.31 H new ATOM 0 HH TYR A 23 10.406 7.403 4.616 1.00 0.38 H new ATOM 222 N ARG A 24 7.076 -1.046 5.321 1.00 0.17 N ATOM 223 CA ARG A 24 6.341 -2.263 5.012 1.00 0.17 C ATOM 224 C ARG A 24 5.424 -2.624 6.164 1.00 0.17 C ATOM 225 O ARG A 24 4.262 -2.948 5.961 1.00 0.19 O ATOM 226 CB ARG A 24 7.313 -3.413 4.722 1.00 0.18 C ATOM 227 CG ARG A 24 6.655 -4.620 4.073 1.00 0.21 C ATOM 228 CD ARG A 24 7.686 -5.651 3.644 1.00 0.25 C ATOM 229 NE ARG A 24 7.071 -6.748 2.895 1.00 0.33 N ATOM 230 CZ ARG A 24 7.409 -8.029 3.026 1.00 0.47 C ATOM 231 NH1 ARG A 24 8.401 -8.380 3.837 1.00 0.57 N ATOM 232 NH2 ARG A 24 6.766 -8.959 2.324 1.00 0.57 N ATOM 0 H ARG A 24 8.090 -1.152 5.285 1.00 0.17 H new ATOM 0 HA ARG A 24 5.734 -2.091 4.123 1.00 0.17 H new ATOM 0 HB2 ARG A 24 8.108 -3.050 4.071 1.00 0.18 H new ATOM 0 HB3 ARG A 24 7.783 -3.724 5.655 1.00 0.18 H new ATOM 0 HG2 ARG A 24 5.954 -5.074 4.773 1.00 0.21 H new ATOM 0 HG3 ARG A 24 6.077 -4.299 3.206 1.00 0.21 H new ATOM 0 HD2 ARG A 24 8.447 -5.171 3.029 1.00 0.25 H new ATOM 0 HD3 ARG A 24 8.192 -6.049 4.524 1.00 0.25 H new ATOM 0 HE ARG A 24 6.335 -6.516 2.229 1.00 0.33 H new ATOM 0 HH11 ARG A 24 8.907 -7.667 4.362 1.00 0.57 H new ATOM 0 HH12 ARG A 24 8.657 -9.363 3.934 1.00 0.57 H new ATOM 0 HH21 ARG A 24 6.016 -8.690 1.687 1.00 0.57 H new ATOM 0 HH22 ARG A 24 7.023 -9.941 2.423 1.00 0.57 H new ATOM 246 N ARG A 25 5.950 -2.531 7.375 1.00 0.18 N ATOM 247 CA ARG A 25 5.174 -2.806 8.575 1.00 0.18 C ATOM 248 C ARG A 25 4.040 -1.800 8.727 1.00 0.17 C ATOM 249 O ARG A 25 2.931 -2.151 9.125 1.00 0.20 O ATOM 250 CB ARG A 25 6.077 -2.762 9.795 1.00 0.22 C ATOM 251 CG ARG A 25 7.161 -3.822 9.760 1.00 0.32 C ATOM 252 CD ARG A 25 8.115 -3.673 10.922 1.00 0.73 C ATOM 253 NE ARG A 25 9.133 -4.722 10.929 1.00 1.44 N ATOM 254 CZ ARG A 25 9.929 -4.986 11.964 1.00 2.11 C ATOM 255 NH1 ARG A 25 9.810 -4.301 13.096 1.00 2.44 N ATOM 256 NH2 ARG A 25 10.836 -5.950 11.870 1.00 2.87 N ATOM 0 H ARG A 25 6.918 -2.265 7.554 1.00 0.18 H new ATOM 0 HA ARG A 25 4.739 -3.802 8.486 1.00 0.18 H new ATOM 0 HB2 ARG A 25 6.540 -1.777 9.864 1.00 0.22 H new ATOM 0 HB3 ARG A 25 5.474 -2.895 10.693 1.00 0.22 H new ATOM 0 HG2 ARG A 25 6.705 -4.812 9.786 1.00 0.32 H new ATOM 0 HG3 ARG A 25 7.713 -3.750 8.823 1.00 0.32 H new ATOM 0 HD2 ARG A 25 8.599 -2.698 10.872 1.00 0.73 H new ATOM 0 HD3 ARG A 25 7.556 -3.703 11.857 1.00 0.73 H new ATOM 0 HE ARG A 25 9.241 -5.288 10.087 1.00 1.44 H new ATOM 0 HH11 ARG A 25 9.106 -3.568 13.177 1.00 2.44 H new ATOM 0 HH12 ARG A 25 10.423 -4.509 13.884 1.00 2.44 H new ATOM 0 HH21 ARG A 25 10.922 -6.487 11.007 1.00 2.87 H new ATOM 0 HH22 ARG A 25 11.447 -6.154 12.661 1.00 2.87 H new ATOM 270 N ALA A 26 4.323 -0.551 8.381 1.00 0.17 N ATOM 271 CA ALA A 26 3.343 0.522 8.488 1.00 0.19 C ATOM 272 C ALA A 26 2.330 0.466 7.349 1.00 0.19 C ATOM 273 O ALA A 26 1.283 1.104 7.404 1.00 0.28 O ATOM 274 CB ALA A 26 4.046 1.866 8.494 1.00 0.23 C ATOM 0 H ALA A 26 5.230 -0.255 8.021 1.00 0.17 H new ATOM 0 HA ALA A 26 2.801 0.392 9.425 1.00 0.19 H new ATOM 0 HB1 ALA A 26 3.307 2.663 8.574 1.00 0.23 H new ATOM 0 HB2 ALA A 26 4.727 1.916 9.343 1.00 0.23 H new ATOM 0 HB3 ALA A 26 4.610 1.986 7.569 1.00 0.23 H new ATOM 280 N LEU A 27 2.667 -0.273 6.309 1.00 0.15 N ATOM 281 CA LEU A 27 1.775 -0.462 5.176 1.00 0.15 C ATOM 282 C LEU A 27 1.026 -1.786 5.292 1.00 0.17 C ATOM 283 O LEU A 27 -0.001 -1.984 4.645 1.00 0.21 O ATOM 284 CB LEU A 27 2.577 -0.410 3.873 1.00 0.15 C ATOM 285 CG LEU A 27 2.657 0.960 3.178 1.00 0.15 C ATOM 286 CD1 LEU A 27 2.731 2.104 4.182 1.00 0.15 C ATOM 287 CD2 LEU A 27 3.869 1.000 2.264 1.00 0.16 C ATOM 0 H LEU A 27 3.561 -0.757 6.224 1.00 0.15 H new ATOM 0 HA LEU A 27 1.038 0.341 5.171 1.00 0.15 H new ATOM 0 HB2 LEU A 27 3.592 -0.748 4.082 1.00 0.15 H new ATOM 0 HB3 LEU A 27 2.141 -1.124 3.174 1.00 0.15 H new ATOM 0 HG LEU A 27 1.746 1.090 2.595 1.00 0.15 H new ATOM 0 HD11 LEU A 27 2.786 3.053 3.649 1.00 0.15 H new ATOM 0 HD12 LEU A 27 1.842 2.093 4.812 1.00 0.15 H new ATOM 0 HD13 LEU A 27 3.618 1.985 4.804 1.00 0.15 H new ATOM 0 HD21 LEU A 27 3.923 1.972 1.773 1.00 0.16 H new ATOM 0 HD22 LEU A 27 4.773 0.840 2.851 1.00 0.16 H new ATOM 0 HD23 LEU A 27 3.782 0.217 1.510 1.00 0.16 H new ATOM 299 N THR A 28 1.538 -2.687 6.123 1.00 0.17 N ATOM 300 CA THR A 28 0.889 -3.972 6.339 1.00 0.15 C ATOM 301 C THR A 28 -0.329 -3.798 7.238 1.00 0.17 C ATOM 302 O THR A 28 -0.205 -3.641 8.455 1.00 0.19 O ATOM 303 CB THR A 28 1.854 -4.998 6.970 1.00 0.17 C ATOM 304 OG1 THR A 28 3.006 -5.174 6.133 1.00 0.20 O ATOM 305 CG2 THR A 28 1.170 -6.339 7.168 1.00 0.20 C ATOM 0 H THR A 28 2.397 -2.551 6.656 1.00 0.17 H new ATOM 0 HA THR A 28 0.578 -4.352 5.366 1.00 0.15 H new ATOM 0 HB THR A 28 2.162 -4.613 7.942 1.00 0.17 H new ATOM 0 HG1 THR A 28 3.636 -4.439 6.284 1.00 0.20 H new ATOM 0 HG21 THR A 28 1.872 -7.043 7.614 1.00 0.20 H new ATOM 0 HG22 THR A 28 0.311 -6.216 7.828 1.00 0.20 H new ATOM 0 HG23 THR A 28 0.835 -6.722 6.204 1.00 0.20 H new ATOM 313 N LYS A 29 -1.500 -3.856 6.626 1.00 0.17 N ATOM 314 CA LYS A 29 -2.760 -3.592 7.307 1.00 0.22 C ATOM 315 C LYS A 29 -3.844 -4.466 6.722 1.00 0.19 C ATOM 316 O LYS A 29 -3.679 -5.024 5.644 1.00 0.18 O ATOM 317 CB LYS A 29 -3.195 -2.129 7.129 1.00 0.31 C ATOM 318 CG LYS A 29 -2.759 -1.176 8.229 1.00 0.61 C ATOM 319 CD LYS A 29 -1.279 -0.875 8.174 1.00 0.72 C ATOM 320 CE LYS A 29 -0.920 0.260 9.106 1.00 0.44 C ATOM 321 NZ LYS A 29 -1.308 -0.025 10.511 1.00 0.79 N ATOM 0 H LYS A 29 -1.606 -4.088 5.638 1.00 0.17 H new ATOM 0 HA LYS A 29 -2.612 -3.802 8.366 1.00 0.22 H new ATOM 0 HB2 LYS A 29 -2.801 -1.765 6.180 1.00 0.31 H new ATOM 0 HB3 LYS A 29 -4.282 -2.098 7.056 1.00 0.31 H new ATOM 0 HG2 LYS A 29 -3.320 -0.245 8.144 1.00 0.61 H new ATOM 0 HG3 LYS A 29 -3.004 -1.608 9.199 1.00 0.61 H new ATOM 0 HD2 LYS A 29 -0.713 -1.766 8.446 1.00 0.72 H new ATOM 0 HD3 LYS A 29 -0.995 -0.616 7.154 1.00 0.72 H new ATOM 0 HE2 LYS A 29 0.153 0.443 9.057 1.00 0.44 H new ATOM 0 HE3 LYS A 29 -1.414 1.172 8.772 1.00 0.44 H new ATOM 0 HZ1 LYS A 29 -0.939 0.723 11.132 1.00 0.79 H new ATOM 0 HZ2 LYS A 29 -2.345 -0.056 10.585 1.00 0.79 H new ATOM 0 HZ3 LYS A 29 -0.912 -0.942 10.801 1.00 0.79 H new ATOM 335 N VAL A 30 -4.955 -4.563 7.414 1.00 0.22 N ATOM 336 CA VAL A 30 -6.128 -5.191 6.852 1.00 0.22 C ATOM 337 C VAL A 30 -7.099 -4.095 6.448 1.00 0.19 C ATOM 338 O VAL A 30 -7.362 -3.171 7.218 1.00 0.23 O ATOM 339 CB VAL A 30 -6.783 -6.201 7.819 1.00 0.30 C ATOM 340 CG1 VAL A 30 -5.867 -7.402 8.025 1.00 0.81 C ATOM 341 CG2 VAL A 30 -7.117 -5.551 9.152 1.00 1.03 C ATOM 0 H VAL A 30 -5.071 -4.216 8.366 1.00 0.22 H new ATOM 0 HA VAL A 30 -5.835 -5.776 5.980 1.00 0.22 H new ATOM 0 HB VAL A 30 -7.717 -6.542 7.372 1.00 0.30 H new ATOM 0 HG11 VAL A 30 -6.340 -8.107 8.709 1.00 0.81 H new ATOM 0 HG12 VAL A 30 -5.687 -7.890 7.067 1.00 0.81 H new ATOM 0 HG13 VAL A 30 -4.919 -7.068 8.446 1.00 0.81 H new ATOM 0 HG21 VAL A 30 -7.577 -6.288 9.811 1.00 1.03 H new ATOM 0 HG22 VAL A 30 -6.204 -5.173 9.612 1.00 1.03 H new ATOM 0 HG23 VAL A 30 -7.810 -4.726 8.991 1.00 1.03 H new ATOM 351 N VAL A 31 -7.584 -4.167 5.225 1.00 0.16 N ATOM 352 CA VAL A 31 -8.314 -3.063 4.624 1.00 0.15 C ATOM 353 C VAL A 31 -9.340 -3.570 3.624 1.00 0.15 C ATOM 354 O VAL A 31 -9.130 -4.580 2.983 1.00 0.18 O ATOM 355 CB VAL A 31 -7.320 -2.115 3.910 1.00 0.18 C ATOM 356 CG1 VAL A 31 -7.955 -1.420 2.724 1.00 0.18 C ATOM 357 CG2 VAL A 31 -6.753 -1.095 4.875 1.00 0.26 C ATOM 0 H VAL A 31 -7.486 -4.984 4.622 1.00 0.16 H new ATOM 0 HA VAL A 31 -8.839 -2.525 5.414 1.00 0.15 H new ATOM 0 HB VAL A 31 -6.504 -2.733 3.536 1.00 0.18 H new ATOM 0 HG11 VAL A 31 -7.223 -0.764 2.252 1.00 0.18 H new ATOM 0 HG12 VAL A 31 -8.293 -2.165 2.004 1.00 0.18 H new ATOM 0 HG13 VAL A 31 -8.807 -0.829 3.062 1.00 0.18 H new ATOM 0 HG21 VAL A 31 -6.058 -0.442 4.347 1.00 0.26 H new ATOM 0 HG22 VAL A 31 -7.564 -0.499 5.293 1.00 0.26 H new ATOM 0 HG23 VAL A 31 -6.228 -1.609 5.680 1.00 0.26 H new ATOM 367 N LYS A 32 -10.436 -2.859 3.480 1.00 0.14 N ATOM 368 CA LYS A 32 -11.430 -3.212 2.494 1.00 0.13 C ATOM 369 C LYS A 32 -11.317 -2.283 1.288 1.00 0.12 C ATOM 370 O LYS A 32 -11.493 -1.068 1.405 1.00 0.14 O ATOM 371 CB LYS A 32 -12.821 -3.145 3.125 1.00 0.14 C ATOM 372 CG LYS A 32 -13.885 -3.900 2.346 1.00 0.15 C ATOM 373 CD LYS A 32 -14.582 -3.003 1.341 1.00 0.26 C ATOM 374 CE LYS A 32 -15.739 -3.716 0.659 1.00 0.28 C ATOM 375 NZ LYS A 32 -16.764 -4.171 1.635 1.00 0.67 N ATOM 0 H LYS A 32 -10.661 -2.033 4.034 1.00 0.14 H new ATOM 0 HA LYS A 32 -11.262 -4.232 2.147 1.00 0.13 H new ATOM 0 HB2 LYS A 32 -12.771 -3.548 4.137 1.00 0.14 H new ATOM 0 HB3 LYS A 32 -13.120 -2.101 3.212 1.00 0.14 H new ATOM 0 HG2 LYS A 32 -13.428 -4.743 1.827 1.00 0.15 H new ATOM 0 HG3 LYS A 32 -14.620 -4.312 3.038 1.00 0.15 H new ATOM 0 HD2 LYS A 32 -14.951 -2.110 1.845 1.00 0.26 H new ATOM 0 HD3 LYS A 32 -13.865 -2.672 0.590 1.00 0.26 H new ATOM 0 HE2 LYS A 32 -16.201 -3.046 -0.066 1.00 0.28 H new ATOM 0 HE3 LYS A 32 -15.360 -4.574 0.104 1.00 0.28 H new ATOM 0 HZ1 LYS A 32 -17.655 -4.369 1.136 1.00 0.67 H new ATOM 0 HZ2 LYS A 32 -16.433 -5.035 2.109 1.00 0.67 H new ATOM 0 HZ3 LYS A 32 -16.923 -3.427 2.344 1.00 0.67 H new ATOM 389 N LEU A 33 -10.999 -2.862 0.138 1.00 0.12 N ATOM 390 CA LEU A 33 -10.848 -2.094 -1.094 1.00 0.13 C ATOM 391 C LEU A 33 -12.184 -1.917 -1.780 1.00 0.14 C ATOM 392 O LEU A 33 -13.017 -2.826 -1.783 1.00 0.16 O ATOM 393 CB LEU A 33 -9.865 -2.765 -2.054 1.00 0.16 C ATOM 394 CG LEU A 33 -8.392 -2.478 -1.776 1.00 0.18 C ATOM 395 CD1 LEU A 33 -7.505 -3.274 -2.723 1.00 0.21 C ATOM 396 CD2 LEU A 33 -8.118 -0.990 -1.920 1.00 0.18 C ATOM 0 H LEU A 33 -10.840 -3.864 0.031 1.00 0.12 H new ATOM 0 HA LEU A 33 -10.451 -1.116 -0.820 1.00 0.13 H new ATOM 0 HB2 LEU A 33 -10.023 -3.843 -2.016 1.00 0.16 H new ATOM 0 HB3 LEU A 33 -10.096 -2.444 -3.070 1.00 0.16 H new ATOM 0 HG LEU A 33 -8.162 -2.782 -0.755 1.00 0.18 H new ATOM 0 HD11 LEU A 33 -6.458 -3.057 -2.510 1.00 0.21 H new ATOM 0 HD12 LEU A 33 -7.690 -4.339 -2.585 1.00 0.21 H new ATOM 0 HD13 LEU A 33 -7.731 -2.997 -3.753 1.00 0.21 H new ATOM 0 HD21 LEU A 33 -7.065 -0.793 -1.720 1.00 0.18 H new ATOM 0 HD22 LEU A 33 -8.361 -0.672 -2.934 1.00 0.18 H new ATOM 0 HD23 LEU A 33 -8.732 -0.437 -1.209 1.00 0.18 H new ATOM 408 N LYS A 34 -12.388 -0.742 -2.357 1.00 0.15 N ATOM 409 CA LYS A 34 -13.644 -0.435 -3.030 1.00 0.19 C ATOM 410 C LYS A 34 -13.379 0.396 -4.275 1.00 0.21 C ATOM 411 O LYS A 34 -13.059 1.581 -4.184 1.00 0.23 O ATOM 412 CB LYS A 34 -14.588 0.334 -2.098 1.00 0.22 C ATOM 413 CG LYS A 34 -14.677 -0.243 -0.695 1.00 0.23 C ATOM 414 CD LYS A 34 -15.724 0.461 0.152 1.00 0.47 C ATOM 415 CE LYS A 34 -15.469 1.957 0.259 1.00 0.45 C ATOM 416 NZ LYS A 34 -16.512 2.637 1.069 1.00 0.84 N ATOM 0 H LYS A 34 -11.703 0.013 -2.374 1.00 0.15 H new ATOM 0 HA LYS A 34 -14.116 -1.376 -3.312 1.00 0.19 H new ATOM 0 HB2 LYS A 34 -14.254 1.370 -2.033 1.00 0.22 H new ATOM 0 HB3 LYS A 34 -15.585 0.347 -2.538 1.00 0.22 H new ATOM 0 HG2 LYS A 34 -14.916 -1.305 -0.756 1.00 0.23 H new ATOM 0 HG3 LYS A 34 -13.705 -0.162 -0.209 1.00 0.23 H new ATOM 0 HD2 LYS A 34 -16.711 0.293 -0.280 1.00 0.47 H new ATOM 0 HD3 LYS A 34 -15.734 0.024 1.151 1.00 0.47 H new ATOM 0 HE2 LYS A 34 -14.491 2.128 0.708 1.00 0.45 H new ATOM 0 HE3 LYS A 34 -15.442 2.394 -0.739 1.00 0.45 H new ATOM 0 HZ1 LYS A 34 -16.286 3.649 1.147 1.00 0.84 H new ATOM 0 HZ2 LYS A 34 -17.438 2.524 0.609 1.00 0.84 H new ATOM 0 HZ3 LYS A 34 -16.544 2.215 2.019 1.00 0.84 H new ATOM 430 N THR A 35 -13.489 -0.232 -5.432 1.00 0.23 N ATOM 431 CA THR A 35 -13.287 0.456 -6.693 1.00 0.26 C ATOM 432 C THR A 35 -13.740 -0.434 -7.851 1.00 0.28 C ATOM 433 O THR A 35 -14.297 -1.507 -7.612 1.00 0.28 O ATOM 434 CB THR A 35 -11.806 0.895 -6.845 1.00 0.27 C ATOM 435 OG1 THR A 35 -11.563 1.476 -8.134 1.00 0.34 O ATOM 436 CG2 THR A 35 -10.856 -0.270 -6.611 1.00 0.27 C ATOM 0 H THR A 35 -13.718 -1.222 -5.524 1.00 0.23 H new ATOM 0 HA THR A 35 -13.894 1.361 -6.709 1.00 0.26 H new ATOM 0 HB THR A 35 -11.617 1.652 -6.084 1.00 0.27 H new ATOM 0 HG1 THR A 35 -10.809 2.100 -8.075 1.00 0.34 H new ATOM 0 HG21 THR A 35 -9.827 0.071 -6.725 1.00 0.27 H new ATOM 0 HG22 THR A 35 -11.000 -0.660 -5.603 1.00 0.27 H new ATOM 0 HG23 THR A 35 -11.060 -1.057 -7.337 1.00 0.27 H new ATOM 444 N HIS A 36 -13.509 -0.009 -9.091 1.00 0.33 N ATOM 445 CA HIS A 36 -13.873 -0.812 -10.260 1.00 0.38 C ATOM 446 C HIS A 36 -13.031 -2.087 -10.331 1.00 0.34 C ATOM 447 O HIS A 36 -13.296 -2.980 -11.134 1.00 0.37 O ATOM 448 CB HIS A 36 -13.757 -0.004 -11.564 1.00 0.48 C ATOM 449 CG HIS A 36 -12.396 0.562 -11.852 1.00 1.31 C ATOM 450 ND1 HIS A 36 -11.525 0.001 -12.759 1.00 2.07 N ATOM 451 CD2 HIS A 36 -11.778 1.671 -11.381 1.00 2.25 C ATOM 452 CE1 HIS A 36 -10.434 0.739 -12.835 1.00 2.94 C ATOM 453 NE2 HIS A 36 -10.559 1.760 -12.009 1.00 3.02 N ATOM 0 H HIS A 36 -13.072 0.885 -9.314 1.00 0.33 H new ATOM 0 HA HIS A 36 -14.918 -1.099 -10.146 1.00 0.38 H new ATOM 0 HB2 HIS A 36 -14.049 -0.645 -12.396 1.00 0.48 H new ATOM 0 HB3 HIS A 36 -14.473 0.817 -11.528 1.00 0.48 H new ATOM 0 HD1 HIS A 36 -11.697 -0.853 -13.290 1.00 2.07 H new ATOM 0 HD2 HIS A 36 -12.171 2.359 -10.647 1.00 2.25 H new ATOM 0 HE1 HIS A 36 -9.581 0.541 -13.467 1.00 2.94 H new ATOM 462 N LEU A 37 -12.013 -2.155 -9.483 1.00 0.32 N ATOM 463 CA LEU A 37 -11.262 -3.384 -9.274 1.00 0.33 C ATOM 464 C LEU A 37 -12.188 -4.413 -8.632 1.00 0.31 C ATOM 465 O LEU A 37 -12.460 -5.471 -9.206 1.00 0.36 O ATOM 466 CB LEU A 37 -10.065 -3.110 -8.354 1.00 0.38 C ATOM 467 CG LEU A 37 -9.118 -4.285 -8.110 1.00 0.46 C ATOM 468 CD1 LEU A 37 -8.263 -4.557 -9.338 1.00 1.00 C ATOM 469 CD2 LEU A 37 -8.251 -4.012 -6.883 1.00 0.32 C ATOM 0 H LEU A 37 -11.687 -1.366 -8.925 1.00 0.32 H new ATOM 0 HA LEU A 37 -10.890 -3.763 -10.226 1.00 0.33 H new ATOM 0 HB2 LEU A 37 -9.488 -2.288 -8.778 1.00 0.38 H new ATOM 0 HB3 LEU A 37 -10.444 -2.770 -7.390 1.00 0.38 H new ATOM 0 HG LEU A 37 -9.712 -5.179 -7.920 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -7.598 -5.397 -9.139 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -8.907 -4.796 -10.184 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -7.670 -3.673 -9.572 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.580 -4.855 -6.717 1.00 0.32 H new ATOM 0 HD22 LEU A 37 -7.665 -3.108 -7.046 1.00 0.32 H new ATOM 0 HD23 LEU A 37 -8.889 -3.879 -6.009 1.00 0.32 H new ATOM 481 N PHE A 38 -12.683 -4.063 -7.445 1.00 0.26 N ATOM 482 CA PHE A 38 -13.665 -4.858 -6.719 1.00 0.26 C ATOM 483 C PHE A 38 -13.986 -4.190 -5.392 1.00 0.23 C ATOM 484 O PHE A 38 -13.423 -3.143 -5.063 1.00 0.22 O ATOM 485 CB PHE A 38 -13.165 -6.294 -6.465 1.00 0.27 C ATOM 486 CG PHE A 38 -11.862 -6.379 -5.712 1.00 0.32 C ATOM 487 CD1 PHE A 38 -10.700 -6.752 -6.363 1.00 0.73 C ATOM 488 CD2 PHE A 38 -11.800 -6.092 -4.356 1.00 0.67 C ATOM 489 CE1 PHE A 38 -9.504 -6.835 -5.680 1.00 0.82 C ATOM 490 CE2 PHE A 38 -10.607 -6.172 -3.670 1.00 0.71 C ATOM 491 CZ PHE A 38 -9.457 -6.543 -4.332 1.00 0.55 C ATOM 0 H PHE A 38 -12.409 -3.210 -6.958 1.00 0.26 H new ATOM 0 HA PHE A 38 -14.563 -4.919 -7.334 1.00 0.26 H new ATOM 0 HB2 PHE A 38 -13.928 -6.837 -5.908 1.00 0.27 H new ATOM 0 HB3 PHE A 38 -13.050 -6.800 -7.424 1.00 0.27 H new ATOM 0 HD1 PHE A 38 -10.729 -6.981 -7.418 1.00 0.73 H new ATOM 0 HD2 PHE A 38 -12.698 -5.802 -3.831 1.00 0.67 H new ATOM 0 HE1 PHE A 38 -8.604 -7.129 -6.200 1.00 0.82 H new ATOM 0 HE2 PHE A 38 -10.574 -5.944 -2.615 1.00 0.71 H new ATOM 0 HZ PHE A 38 -8.521 -6.605 -3.797 1.00 0.55 H new ATOM 501 N SER A 39 -14.895 -4.789 -4.645 1.00 0.23 N ATOM 502 CA SER A 39 -15.159 -4.375 -3.281 1.00 0.22 C ATOM 503 C SER A 39 -15.048 -5.584 -2.356 1.00 0.22 C ATOM 504 O SER A 39 -15.968 -6.400 -2.269 1.00 0.28 O ATOM 505 CB SER A 39 -16.544 -3.730 -3.183 1.00 0.27 C ATOM 506 OG SER A 39 -17.509 -4.479 -3.905 1.00 0.34 O ATOM 0 H SER A 39 -15.467 -5.571 -4.964 1.00 0.23 H new ATOM 0 HA SER A 39 -14.423 -3.632 -2.974 1.00 0.22 H new ATOM 0 HB2 SER A 39 -16.842 -3.659 -2.137 1.00 0.27 H new ATOM 0 HB3 SER A 39 -16.503 -2.713 -3.572 1.00 0.27 H new ATOM 0 HG SER A 39 -17.409 -5.431 -3.694 1.00 0.34 H new ATOM 512 N GLU A 40 -13.918 -5.686 -1.667 1.00 0.20 N ATOM 513 CA GLU A 40 -13.617 -6.834 -0.816 1.00 0.24 C ATOM 514 C GLU A 40 -12.633 -6.447 0.269 1.00 0.18 C ATOM 515 O GLU A 40 -11.961 -5.422 0.174 1.00 0.15 O ATOM 516 CB GLU A 40 -13.010 -7.977 -1.630 1.00 0.33 C ATOM 517 CG GLU A 40 -14.029 -8.850 -2.342 1.00 0.47 C ATOM 518 CD GLU A 40 -14.873 -9.658 -1.376 1.00 1.15 C ATOM 519 OE1 GLU A 40 -16.118 -9.610 -1.483 1.00 1.45 O ATOM 520 OE2 GLU A 40 -14.301 -10.336 -0.500 1.00 2.08 O ATOM 0 H GLU A 40 -13.185 -4.977 -1.681 1.00 0.20 H new ATOM 0 HA GLU A 40 -14.556 -7.162 -0.370 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -12.328 -7.558 -2.370 1.00 0.33 H new ATOM 0 HB3 GLU A 40 -12.414 -8.603 -0.966 1.00 0.33 H new ATOM 0 HG2 GLU A 40 -14.679 -8.222 -2.951 1.00 0.47 H new ATOM 0 HG3 GLU A 40 -13.512 -9.527 -3.022 1.00 0.47 H new ATOM 527 N THR A 41 -12.544 -7.277 1.290 1.00 0.20 N ATOM 528 CA THR A 41 -11.593 -7.061 2.360 1.00 0.19 C ATOM 529 C THR A 41 -10.262 -7.709 2.006 1.00 0.18 C ATOM 530 O THR A 41 -10.194 -8.908 1.738 1.00 0.23 O ATOM 531 CB THR A 41 -12.114 -7.624 3.688 1.00 0.25 C ATOM 532 OG1 THR A 41 -13.447 -7.150 3.920 1.00 0.32 O ATOM 533 CG2 THR A 41 -11.215 -7.210 4.846 1.00 0.27 C ATOM 0 H THR A 41 -13.122 -8.110 1.400 1.00 0.20 H new ATOM 0 HA THR A 41 -11.454 -5.987 2.481 1.00 0.19 H new ATOM 0 HB THR A 41 -12.114 -8.712 3.625 1.00 0.25 H new ATOM 0 HG1 THR A 41 -13.780 -7.512 4.768 1.00 0.32 H new ATOM 0 HG21 THR A 41 -11.607 -7.622 5.776 1.00 0.27 H new ATOM 0 HG22 THR A 41 -10.207 -7.589 4.677 1.00 0.27 H new ATOM 0 HG23 THR A 41 -11.187 -6.122 4.914 1.00 0.27 H new ATOM 541 N VAL A 42 -9.220 -6.902 1.983 1.00 0.16 N ATOM 542 CA VAL A 42 -7.901 -7.337 1.570 1.00 0.16 C ATOM 543 C VAL A 42 -6.886 -7.014 2.665 1.00 0.16 C ATOM 544 O VAL A 42 -7.223 -6.392 3.671 1.00 0.23 O ATOM 545 CB VAL A 42 -7.491 -6.633 0.251 1.00 0.15 C ATOM 546 CG1 VAL A 42 -8.635 -6.684 -0.754 1.00 0.16 C ATOM 547 CG2 VAL A 42 -7.062 -5.189 0.503 1.00 0.15 C ATOM 0 H VAL A 42 -9.265 -5.919 2.252 1.00 0.16 H new ATOM 0 HA VAL A 42 -7.922 -8.414 1.402 1.00 0.16 H new ATOM 0 HB VAL A 42 -6.636 -7.166 -0.164 1.00 0.15 H new ATOM 0 HG11 VAL A 42 -8.333 -6.186 -1.675 1.00 0.16 H new ATOM 0 HG12 VAL A 42 -8.885 -7.723 -0.969 1.00 0.16 H new ATOM 0 HG13 VAL A 42 -9.507 -6.180 -0.338 1.00 0.16 H new ATOM 0 HG21 VAL A 42 -6.781 -4.723 -0.441 1.00 0.15 H new ATOM 0 HG22 VAL A 42 -7.889 -4.636 0.948 1.00 0.15 H new ATOM 0 HG23 VAL A 42 -6.210 -5.176 1.182 1.00 0.15 H new ATOM 557 N LYS A 43 -5.659 -7.453 2.487 1.00 0.13 N ATOM 558 CA LYS A 43 -4.593 -7.092 3.395 1.00 0.14 C ATOM 559 C LYS A 43 -3.510 -6.367 2.618 1.00 0.13 C ATOM 560 O LYS A 43 -3.010 -6.891 1.633 1.00 0.15 O ATOM 561 CB LYS A 43 -4.027 -8.340 4.063 1.00 0.17 C ATOM 562 CG LYS A 43 -3.156 -8.041 5.269 1.00 0.26 C ATOM 563 CD LYS A 43 -2.600 -9.311 5.883 1.00 0.34 C ATOM 564 CE LYS A 43 -3.693 -10.335 6.147 1.00 0.89 C ATOM 565 NZ LYS A 43 -3.164 -11.577 6.769 1.00 1.61 N ATOM 0 H LYS A 43 -5.375 -8.062 1.720 1.00 0.13 H new ATOM 0 HA LYS A 43 -4.980 -6.436 4.175 1.00 0.14 H new ATOM 0 HB2 LYS A 43 -4.852 -8.983 4.371 1.00 0.17 H new ATOM 0 HB3 LYS A 43 -3.442 -8.900 3.333 1.00 0.17 H new ATOM 0 HG2 LYS A 43 -2.334 -7.389 4.973 1.00 0.26 H new ATOM 0 HG3 LYS A 43 -3.739 -7.500 6.015 1.00 0.26 H new ATOM 0 HD2 LYS A 43 -1.853 -9.741 5.216 1.00 0.34 H new ATOM 0 HD3 LYS A 43 -2.093 -9.071 6.818 1.00 0.34 H new ATOM 0 HE2 LYS A 43 -4.448 -9.897 6.800 1.00 0.89 H new ATOM 0 HE3 LYS A 43 -4.189 -10.584 5.209 1.00 0.89 H new ATOM 0 HZ1 LYS A 43 -3.945 -12.245 6.930 1.00 1.61 H new ATOM 0 HZ2 LYS A 43 -2.463 -12.011 6.135 1.00 1.61 H new ATOM 0 HZ3 LYS A 43 -2.714 -11.346 7.677 1.00 1.61 H new ATOM 579 N VAL A 44 -3.139 -5.183 3.066 1.00 0.13 N ATOM 580 CA VAL A 44 -2.232 -4.338 2.308 1.00 0.14 C ATOM 581 C VAL A 44 -0.831 -4.435 2.868 1.00 0.15 C ATOM 582 O VAL A 44 -0.643 -4.830 4.018 1.00 0.19 O ATOM 583 CB VAL A 44 -2.660 -2.856 2.333 1.00 0.20 C ATOM 584 CG1 VAL A 44 -2.536 -2.260 0.944 1.00 0.35 C ATOM 585 CG2 VAL A 44 -4.072 -2.691 2.866 1.00 0.25 C ATOM 0 H VAL A 44 -3.451 -4.783 3.951 1.00 0.13 H new ATOM 0 HA VAL A 44 -2.260 -4.695 1.278 1.00 0.14 H new ATOM 0 HB VAL A 44 -1.994 -2.321 3.010 1.00 0.20 H new ATOM 0 HG11 VAL A 44 -2.840 -1.213 0.969 1.00 0.35 H new ATOM 0 HG12 VAL A 44 -1.501 -2.330 0.609 1.00 0.35 H new ATOM 0 HG13 VAL A 44 -3.178 -2.808 0.254 1.00 0.35 H new ATOM 0 HG21 VAL A 44 -4.339 -1.634 2.869 1.00 0.25 H new ATOM 0 HG22 VAL A 44 -4.767 -3.239 2.230 1.00 0.25 H new ATOM 0 HG23 VAL A 44 -4.125 -3.081 3.882 1.00 0.25 H new ATOM 595 N THR A 45 0.139 -4.087 2.038 1.00 0.15 N ATOM 596 CA THR A 45 1.540 -4.135 2.405 1.00 0.16 C ATOM 597 C THR A 45 2.376 -3.734 1.189 1.00 0.13 C ATOM 598 O THR A 45 1.830 -3.277 0.184 1.00 0.14 O ATOM 599 CB THR A 45 1.930 -5.553 2.889 1.00 0.19 C ATOM 600 OG1 THR A 45 3.256 -5.554 3.438 1.00 0.21 O ATOM 601 CG2 THR A 45 1.840 -6.568 1.758 1.00 0.20 C ATOM 0 H THR A 45 -0.027 -3.762 1.086 1.00 0.15 H new ATOM 0 HA THR A 45 1.728 -3.443 3.226 1.00 0.16 H new ATOM 0 HB THR A 45 1.222 -5.840 3.666 1.00 0.19 H new ATOM 0 HG1 THR A 45 3.208 -5.434 4.409 1.00 0.21 H new ATOM 0 HG21 THR A 45 2.120 -7.553 2.130 1.00 0.20 H new ATOM 0 HG22 THR A 45 0.819 -6.600 1.378 1.00 0.20 H new ATOM 0 HG23 THR A 45 2.517 -6.278 0.954 1.00 0.20 H new ATOM 609 N CYS A 46 3.683 -3.883 1.272 1.00 0.15 N ATOM 610 CA CYS A 46 4.544 -3.607 0.138 1.00 0.14 C ATOM 611 C CYS A 46 5.583 -4.709 0.005 1.00 0.15 C ATOM 612 O CYS A 46 5.732 -5.531 0.909 1.00 0.19 O ATOM 613 CB CYS A 46 5.213 -2.234 0.276 1.00 0.16 C ATOM 614 SG CYS A 46 6.275 -2.059 1.726 1.00 0.19 S ATOM 0 H CYS A 46 4.172 -4.193 2.112 1.00 0.15 H new ATOM 0 HA CYS A 46 3.937 -3.584 -0.767 1.00 0.14 H new ATOM 0 HB2 CYS A 46 5.806 -2.042 -0.618 1.00 0.16 H new ATOM 0 HB3 CYS A 46 4.438 -1.469 0.315 1.00 0.16 H new ATOM 0 HG CYS A 46 5.965 -0.968 2.362 1.00 0.19 H new ATOM 620 N SER A 47 6.284 -4.742 -1.120 1.00 0.19 N ATOM 621 CA SER A 47 7.298 -5.760 -1.346 1.00 0.27 C ATOM 622 C SER A 47 8.519 -5.506 -0.456 1.00 0.25 C ATOM 623 O SER A 47 8.608 -4.451 0.178 1.00 0.25 O ATOM 624 CB SER A 47 7.693 -5.796 -2.825 1.00 0.41 C ATOM 625 OG SER A 47 8.488 -6.930 -3.122 1.00 1.15 O ATOM 0 H SER A 47 6.169 -4.079 -1.886 1.00 0.19 H new ATOM 0 HA SER A 47 6.885 -6.733 -1.081 1.00 0.27 H new ATOM 0 HB2 SER A 47 6.795 -5.808 -3.442 1.00 0.41 H new ATOM 0 HB3 SER A 47 8.242 -4.889 -3.078 1.00 0.41 H new ATOM 0 HG SER A 47 8.722 -6.925 -4.074 1.00 1.15 H new ATOM 631 N LYS A 48 9.460 -6.440 -0.421 1.00 0.29 N ATOM 632 CA LYS A 48 10.577 -6.353 0.522 1.00 0.31 C ATOM 633 C LYS A 48 11.457 -5.136 0.269 1.00 0.27 C ATOM 634 O LYS A 48 11.951 -4.522 1.211 1.00 0.40 O ATOM 635 CB LYS A 48 11.433 -7.617 0.484 1.00 0.39 C ATOM 636 CG LYS A 48 10.844 -8.774 1.267 1.00 0.56 C ATOM 637 CD LYS A 48 11.861 -9.884 1.449 1.00 0.74 C ATOM 638 CE LYS A 48 11.381 -10.923 2.445 1.00 1.36 C ATOM 639 NZ LYS A 48 12.422 -11.944 2.732 1.00 2.10 N ATOM 0 H LYS A 48 9.477 -7.261 -1.027 1.00 0.29 H new ATOM 0 HA LYS A 48 10.132 -6.249 1.511 1.00 0.31 H new ATOM 0 HB2 LYS A 48 11.568 -7.923 -0.553 1.00 0.39 H new ATOM 0 HB3 LYS A 48 12.422 -7.388 0.880 1.00 0.39 H new ATOM 0 HG2 LYS A 48 10.506 -8.423 2.242 1.00 0.56 H new ATOM 0 HG3 LYS A 48 9.968 -9.161 0.746 1.00 0.56 H new ATOM 0 HD2 LYS A 48 12.055 -10.362 0.489 1.00 0.74 H new ATOM 0 HD3 LYS A 48 12.805 -9.461 1.791 1.00 0.74 H new ATOM 0 HE2 LYS A 48 11.092 -10.429 3.373 1.00 1.36 H new ATOM 0 HE3 LYS A 48 10.490 -11.414 2.055 1.00 1.36 H new ATOM 0 HZ1 LYS A 48 12.052 -12.634 3.417 1.00 2.10 H new ATOM 0 HZ2 LYS A 48 12.680 -12.434 1.852 1.00 2.10 H new ATOM 0 HZ3 LYS A 48 13.264 -11.480 3.129 1.00 2.10 H new ATOM 653 N ASP A 49 11.647 -4.788 -0.995 1.00 0.27 N ATOM 654 CA ASP A 49 12.502 -3.657 -1.348 1.00 0.27 C ATOM 655 C ASP A 49 11.701 -2.365 -1.446 1.00 0.25 C ATOM 656 O ASP A 49 12.232 -1.327 -1.834 1.00 0.28 O ATOM 657 CB ASP A 49 13.225 -3.911 -2.673 1.00 0.36 C ATOM 658 CG ASP A 49 14.228 -5.041 -2.590 1.00 0.48 C ATOM 659 OD1 ASP A 49 15.379 -4.790 -2.170 1.00 0.71 O ATOM 660 OD2 ASP A 49 13.873 -6.188 -2.931 1.00 0.56 O ATOM 0 H ASP A 49 11.225 -5.267 -1.791 1.00 0.27 H new ATOM 0 HA ASP A 49 13.240 -3.551 -0.553 1.00 0.27 H new ATOM 0 HB2 ASP A 49 12.490 -4.141 -3.444 1.00 0.36 H new ATOM 0 HB3 ASP A 49 13.737 -3.000 -2.982 1.00 0.36 H new ATOM 665 N GLY A 50 10.420 -2.438 -1.091 1.00 0.23 N ATOM 666 CA GLY A 50 9.558 -1.268 -1.161 1.00 0.25 C ATOM 667 C GLY A 50 9.334 -0.794 -2.583 1.00 0.28 C ATOM 668 O GLY A 50 8.995 0.364 -2.813 1.00 0.43 O ATOM 0 H GLY A 50 9.963 -3.286 -0.756 1.00 0.23 H new ATOM 0 HA2 GLY A 50 8.596 -1.502 -0.704 1.00 0.25 H new ATOM 0 HA3 GLY A 50 10.000 -0.460 -0.578 1.00 0.25 H new ATOM 672 N GLU A 51 9.533 -1.695 -3.537 1.00 0.25 N ATOM 673 CA GLU A 51 9.361 -1.369 -4.948 1.00 0.30 C ATOM 674 C GLU A 51 7.897 -1.482 -5.358 1.00 0.22 C ATOM 675 O GLU A 51 7.418 -0.730 -6.206 1.00 0.27 O ATOM 676 CB GLU A 51 10.211 -2.300 -5.808 1.00 0.40 C ATOM 677 CG GLU A 51 11.694 -2.244 -5.486 1.00 0.74 C ATOM 678 CD GLU A 51 12.503 -3.212 -6.320 1.00 1.30 C ATOM 679 OE1 GLU A 51 12.362 -4.436 -6.124 1.00 1.80 O ATOM 680 OE2 GLU A 51 13.288 -2.753 -7.177 1.00 1.99 O ATOM 0 H GLU A 51 9.814 -2.659 -3.359 1.00 0.25 H new ATOM 0 HA GLU A 51 9.685 -0.339 -5.101 1.00 0.30 H new ATOM 0 HB2 GLU A 51 9.858 -3.323 -5.678 1.00 0.40 H new ATOM 0 HB3 GLU A 51 10.066 -2.044 -6.858 1.00 0.40 H new ATOM 0 HG2 GLU A 51 12.061 -1.231 -5.652 1.00 0.74 H new ATOM 0 HG3 GLU A 51 11.842 -2.467 -4.429 1.00 0.74 H new ATOM 687 N GLU A 52 7.194 -2.423 -4.747 1.00 0.24 N ATOM 688 CA GLU A 52 5.793 -2.662 -5.064 1.00 0.21 C ATOM 689 C GLU A 52 4.913 -2.490 -3.843 1.00 0.18 C ATOM 690 O GLU A 52 5.340 -2.760 -2.724 1.00 0.21 O ATOM 691 CB GLU A 52 5.584 -4.084 -5.588 1.00 0.27 C ATOM 692 CG GLU A 52 5.915 -4.282 -7.058 1.00 0.56 C ATOM 693 CD GLU A 52 7.402 -4.267 -7.337 1.00 0.97 C ATOM 694 OE1 GLU A 52 8.124 -5.117 -6.770 1.00 1.29 O ATOM 695 OE2 GLU A 52 7.848 -3.428 -8.141 1.00 1.49 O ATOM 0 H GLU A 52 7.572 -3.037 -4.025 1.00 0.24 H new ATOM 0 HA GLU A 52 5.519 -1.933 -5.826 1.00 0.21 H new ATOM 0 HB2 GLU A 52 6.196 -4.766 -4.998 1.00 0.27 H new ATOM 0 HB3 GLU A 52 4.544 -4.366 -5.424 1.00 0.27 H new ATOM 0 HG2 GLU A 52 5.498 -5.231 -7.394 1.00 0.56 H new ATOM 0 HG3 GLU A 52 5.434 -3.498 -7.642 1.00 0.56 H new ATOM 702 N VAL A 53 3.690 -2.042 -4.072 1.00 0.16 N ATOM 703 CA VAL A 53 2.649 -2.105 -3.062 1.00 0.16 C ATOM 704 C VAL A 53 1.749 -3.282 -3.394 1.00 0.18 C ATOM 705 O VAL A 53 1.160 -3.325 -4.470 1.00 0.34 O ATOM 706 CB VAL A 53 1.798 -0.818 -3.002 1.00 0.17 C ATOM 707 CG1 VAL A 53 0.764 -0.904 -1.884 1.00 0.20 C ATOM 708 CG2 VAL A 53 2.681 0.406 -2.825 1.00 0.21 C ATOM 0 H VAL A 53 3.393 -1.628 -4.956 1.00 0.16 H new ATOM 0 HA VAL A 53 3.124 -2.218 -2.088 1.00 0.16 H new ATOM 0 HB VAL A 53 1.267 -0.719 -3.949 1.00 0.17 H new ATOM 0 HG11 VAL A 53 0.176 0.014 -1.861 1.00 0.20 H new ATOM 0 HG12 VAL A 53 0.104 -1.753 -2.063 1.00 0.20 H new ATOM 0 HG13 VAL A 53 1.272 -1.034 -0.928 1.00 0.20 H new ATOM 0 HG21 VAL A 53 2.059 1.300 -2.785 1.00 0.21 H new ATOM 0 HG22 VAL A 53 3.246 0.316 -1.897 1.00 0.21 H new ATOM 0 HG23 VAL A 53 3.372 0.481 -3.665 1.00 0.21 H new ATOM 718 N GLN A 54 1.653 -4.233 -2.486 1.00 0.16 N ATOM 719 CA GLN A 54 0.972 -5.486 -2.767 1.00 0.16 C ATOM 720 C GLN A 54 -0.092 -5.765 -1.712 1.00 0.16 C ATOM 721 O GLN A 54 -0.016 -5.258 -0.597 1.00 0.24 O ATOM 722 CB GLN A 54 1.998 -6.622 -2.830 1.00 0.29 C ATOM 723 CG GLN A 54 2.860 -6.732 -1.581 1.00 0.68 C ATOM 724 CD GLN A 54 3.987 -7.744 -1.704 1.00 1.17 C ATOM 725 OE1 GLN A 54 4.495 -7.939 -2.912 1.00 2.12 O flip ATOM 726 NE2 GLN A 54 4.406 -8.343 -0.716 1.00 0.88 N flip ATOM 0 H GLN A 54 2.038 -4.164 -1.544 1.00 0.16 H new ATOM 0 HA GLN A 54 0.469 -5.415 -3.732 1.00 0.16 H new ATOM 0 HB2 GLN A 54 1.474 -7.565 -2.985 1.00 0.29 H new ATOM 0 HB3 GLN A 54 2.644 -6.470 -3.695 1.00 0.29 H new ATOM 0 HG2 GLN A 54 3.285 -5.754 -1.356 1.00 0.68 H new ATOM 0 HG3 GLN A 54 2.228 -7.006 -0.737 1.00 0.68 H new ATOM 0 HE21 GLN A 54 3.992 -8.169 0.200 1.00 0.88 H new ATOM 0 HE22 GLN A 54 5.168 -9.014 -0.812 1.00 0.88 H new ATOM 735 N TRP A 55 -1.087 -6.560 -2.070 1.00 0.14 N ATOM 736 CA TRP A 55 -2.167 -6.871 -1.150 1.00 0.16 C ATOM 737 C TRP A 55 -2.623 -8.317 -1.273 1.00 0.17 C ATOM 738 O TRP A 55 -2.552 -8.929 -2.342 1.00 0.18 O ATOM 739 CB TRP A 55 -3.355 -5.915 -1.339 1.00 0.18 C ATOM 740 CG TRP A 55 -3.724 -5.651 -2.768 1.00 0.18 C ATOM 741 CD1 TRP A 55 -4.543 -6.394 -3.567 1.00 0.22 C ATOM 742 CD2 TRP A 55 -3.291 -4.542 -3.556 1.00 0.19 C ATOM 743 NE1 TRP A 55 -4.639 -5.812 -4.810 1.00 0.23 N ATOM 744 CE2 TRP A 55 -3.877 -4.672 -4.827 1.00 0.21 C ATOM 745 CE3 TRP A 55 -2.461 -3.451 -3.304 1.00 0.24 C ATOM 746 CZ2 TRP A 55 -3.655 -3.748 -5.846 1.00 0.24 C ATOM 747 CZ3 TRP A 55 -2.241 -2.537 -4.310 1.00 0.29 C ATOM 748 CH2 TRP A 55 -2.835 -2.686 -5.569 1.00 0.28 C ATOM 0 H TRP A 55 -1.169 -7.000 -2.987 1.00 0.14 H new ATOM 0 HA TRP A 55 -1.771 -6.734 -0.144 1.00 0.16 H new ATOM 0 HB2 TRP A 55 -4.222 -6.328 -0.824 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -3.121 -4.966 -0.857 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -5.042 -7.304 -3.268 1.00 0.22 H new ATOM 0 HE1 TRP A 55 -5.188 -6.170 -5.592 1.00 0.23 H new ATOM 0 HE3 TRP A 55 -1.998 -3.325 -2.336 1.00 0.24 H new ATOM 0 HZ2 TRP A 55 -4.112 -3.865 -6.818 1.00 0.24 H new ATOM 0 HZ3 TRP A 55 -1.598 -1.689 -4.124 1.00 0.29 H new ATOM 0 HH2 TRP A 55 -2.643 -1.950 -6.336 1.00 0.28 H new ATOM 759 N PHE A 56 -3.077 -8.853 -0.154 1.00 0.21 N ATOM 760 CA PHE A 56 -3.575 -10.213 -0.082 1.00 0.23 C ATOM 761 C PHE A 56 -5.089 -10.185 0.089 1.00 0.23 C ATOM 762 O PHE A 56 -5.592 -9.916 1.181 1.00 0.26 O ATOM 763 CB PHE A 56 -2.927 -10.949 1.097 1.00 0.26 C ATOM 764 CG PHE A 56 -1.426 -10.878 1.098 1.00 0.30 C ATOM 765 CD1 PHE A 56 -0.684 -11.686 0.255 1.00 0.45 C ATOM 766 CD2 PHE A 56 -0.760 -10.011 1.948 1.00 0.37 C ATOM 767 CE1 PHE A 56 0.696 -11.632 0.259 1.00 0.53 C ATOM 768 CE2 PHE A 56 0.620 -9.952 1.955 1.00 0.44 C ATOM 769 CZ PHE A 56 1.347 -10.727 1.091 1.00 0.48 C ATOM 0 H PHE A 56 -3.110 -8.353 0.735 1.00 0.21 H new ATOM 0 HA PHE A 56 -3.323 -10.740 -1.002 1.00 0.23 H new ATOM 0 HB2 PHE A 56 -3.303 -10.527 2.029 1.00 0.26 H new ATOM 0 HB3 PHE A 56 -3.233 -11.995 1.074 1.00 0.26 H new ATOM 0 HD1 PHE A 56 -1.190 -12.367 -0.414 1.00 0.45 H new ATOM 0 HD2 PHE A 56 -1.325 -9.374 2.612 1.00 0.37 H new ATOM 0 HE1 PHE A 56 1.267 -12.289 -0.381 1.00 0.53 H new ATOM 0 HE2 PHE A 56 1.127 -9.293 2.644 1.00 0.44 H new ATOM 0 HZ PHE A 56 2.423 -10.636 1.056 1.00 0.48 H new ATOM 779 N LYS A 57 -5.810 -10.445 -0.992 1.00 0.28 N ATOM 780 CA LYS A 57 -7.267 -10.365 -0.982 1.00 0.29 C ATOM 781 C LYS A 57 -7.871 -11.468 -0.125 1.00 0.35 C ATOM 782 O LYS A 57 -7.592 -12.648 -0.335 1.00 0.54 O ATOM 783 CB LYS A 57 -7.820 -10.468 -2.405 1.00 0.35 C ATOM 784 CG LYS A 57 -7.299 -9.401 -3.351 1.00 0.36 C ATOM 785 CD LYS A 57 -7.856 -9.584 -4.758 1.00 0.55 C ATOM 786 CE LYS A 57 -7.539 -10.960 -5.325 1.00 0.95 C ATOM 787 NZ LYS A 57 -8.067 -11.133 -6.702 1.00 1.20 N ATOM 0 H LYS A 57 -5.410 -10.714 -1.891 1.00 0.28 H new ATOM 0 HA LYS A 57 -7.541 -9.400 -0.556 1.00 0.29 H new ATOM 0 HB2 LYS A 57 -7.572 -11.449 -2.809 1.00 0.35 H new ATOM 0 HB3 LYS A 57 -8.907 -10.404 -2.366 1.00 0.35 H new ATOM 0 HG2 LYS A 57 -7.572 -8.415 -2.975 1.00 0.36 H new ATOM 0 HG3 LYS A 57 -6.210 -9.440 -3.381 1.00 0.36 H new ATOM 0 HD2 LYS A 57 -8.936 -9.439 -4.741 1.00 0.55 H new ATOM 0 HD3 LYS A 57 -7.442 -8.818 -5.414 1.00 0.55 H new ATOM 0 HE2 LYS A 57 -6.459 -11.109 -5.330 1.00 0.95 H new ATOM 0 HE3 LYS A 57 -7.964 -11.726 -4.676 1.00 0.95 H new ATOM 0 HZ1 LYS A 57 -7.828 -12.084 -7.048 1.00 1.20 H new ATOM 0 HZ2 LYS A 57 -9.100 -11.017 -6.695 1.00 1.20 H new ATOM 0 HZ3 LYS A 57 -7.643 -10.420 -7.329 1.00 1.20 H new ATOM 979 N PRO A 70 1.516 -12.096 -3.218 1.00 0.51 N ATOM 980 CA PRO A 70 0.306 -11.299 -3.102 1.00 0.39 C ATOM 981 C PRO A 70 -0.704 -11.623 -4.195 1.00 0.32 C ATOM 982 O PRO A 70 -0.384 -12.301 -5.170 1.00 0.40 O ATOM 983 CB PRO A 70 0.816 -9.870 -3.236 1.00 0.40 C ATOM 984 CG PRO A 70 2.065 -9.963 -4.053 1.00 0.53 C ATOM 985 CD PRO A 70 2.570 -11.383 -3.960 1.00 0.59 C ATOM 0 HA PRO A 70 -0.225 -11.486 -2.169 1.00 0.39 H new ATOM 0 HB2 PRO A 70 0.076 -9.234 -3.722 1.00 0.40 H new ATOM 0 HB3 PRO A 70 1.019 -9.433 -2.258 1.00 0.40 H new ATOM 0 HG2 PRO A 70 1.864 -9.696 -5.090 1.00 0.53 H new ATOM 0 HG3 PRO A 70 2.816 -9.265 -3.684 1.00 0.53 H new ATOM 0 HD2 PRO A 70 2.723 -11.816 -4.948 1.00 0.59 H new ATOM 0 HD3 PRO A 70 3.526 -11.432 -3.439 1.00 0.59 H new ATOM 993 N SER A 71 -1.925 -11.148 -4.024 1.00 0.28 N ATOM 994 CA SER A 71 -2.978 -11.394 -4.994 1.00 0.31 C ATOM 995 C SER A 71 -3.303 -10.096 -5.730 1.00 0.28 C ATOM 996 O SER A 71 -4.400 -9.907 -6.262 1.00 0.40 O ATOM 997 CB SER A 71 -4.211 -11.959 -4.286 1.00 0.41 C ATOM 998 OG SER A 71 -5.067 -12.631 -5.194 1.00 1.02 O ATOM 0 H SER A 71 -2.212 -10.589 -3.221 1.00 0.28 H new ATOM 0 HA SER A 71 -2.646 -12.129 -5.727 1.00 0.31 H new ATOM 0 HB2 SER A 71 -3.898 -12.648 -3.501 1.00 0.41 H new ATOM 0 HB3 SER A 71 -4.756 -11.150 -3.801 1.00 0.41 H new ATOM 0 HG SER A 71 -5.868 -12.940 -4.721 1.00 1.02 H new ATOM 1004 N GLY A 72 -2.332 -9.195 -5.729 1.00 0.24 N ATOM 1005 CA GLY A 72 -2.457 -7.935 -6.424 1.00 0.23 C ATOM 1006 C GLY A 72 -1.382 -6.973 -5.978 1.00 0.22 C ATOM 1007 O GLY A 72 -0.864 -7.103 -4.867 1.00 0.26 O ATOM 0 H GLY A 72 -1.442 -9.321 -5.247 1.00 0.24 H new ATOM 0 HA2 GLY A 72 -2.384 -8.098 -7.499 1.00 0.23 H new ATOM 0 HA3 GLY A 72 -3.440 -7.504 -6.233 1.00 0.23 H new ATOM 1011 N GLY A 73 -1.029 -6.026 -6.834 1.00 0.24 N ATOM 1012 CA GLY A 73 -0.007 -5.066 -6.478 1.00 0.29 C ATOM 1013 C GLY A 73 0.389 -4.169 -7.631 1.00 0.27 C ATOM 1014 O GLY A 73 0.067 -4.452 -8.788 1.00 0.40 O ATOM 0 H GLY A 73 -1.430 -5.906 -7.764 1.00 0.24 H new ATOM 0 HA2 GLY A 73 -0.366 -4.451 -5.653 1.00 0.29 H new ATOM 0 HA3 GLY A 73 0.874 -5.598 -6.119 1.00 0.29 H new ATOM 1018 N PHE A 74 1.084 -3.083 -7.311 1.00 0.20 N ATOM 1019 CA PHE A 74 1.563 -2.139 -8.314 1.00 0.19 C ATOM 1020 C PHE A 74 2.835 -1.448 -7.819 1.00 0.19 C ATOM 1021 O PHE A 74 3.055 -1.337 -6.612 1.00 0.19 O ATOM 1022 CB PHE A 74 0.478 -1.101 -8.656 1.00 0.18 C ATOM 1023 CG PHE A 74 0.120 -0.141 -7.546 1.00 0.17 C ATOM 1024 CD1 PHE A 74 -0.196 -0.585 -6.271 1.00 0.20 C ATOM 1025 CD2 PHE A 74 0.083 1.219 -7.795 1.00 0.17 C ATOM 1026 CE1 PHE A 74 -0.536 0.312 -5.274 1.00 0.21 C ATOM 1027 CE2 PHE A 74 -0.255 2.116 -6.805 1.00 0.18 C ATOM 1028 CZ PHE A 74 -0.566 1.663 -5.542 1.00 0.18 C ATOM 0 H PHE A 74 1.330 -2.833 -6.353 1.00 0.20 H new ATOM 0 HA PHE A 74 1.796 -2.691 -9.225 1.00 0.19 H new ATOM 0 HB2 PHE A 74 0.812 -0.523 -9.518 1.00 0.18 H new ATOM 0 HB3 PHE A 74 -0.425 -1.632 -8.958 1.00 0.18 H new ATOM 0 HD1 PHE A 74 -0.177 -1.643 -6.054 1.00 0.20 H new ATOM 0 HD2 PHE A 74 0.323 1.584 -8.783 1.00 0.17 H new ATOM 0 HE1 PHE A 74 -0.778 -0.047 -4.285 1.00 0.21 H new ATOM 0 HE2 PHE A 74 -0.276 3.174 -7.019 1.00 0.18 H new ATOM 0 HZ PHE A 74 -0.832 2.364 -4.765 1.00 0.18 H new ATOM 1038 N PRO A 75 3.698 -0.993 -8.746 1.00 0.20 N ATOM 1039 CA PRO A 75 4.972 -0.350 -8.401 1.00 0.20 C ATOM 1040 C PRO A 75 4.780 1.013 -7.736 1.00 0.19 C ATOM 1041 O PRO A 75 3.969 1.832 -8.176 1.00 0.20 O ATOM 1042 CB PRO A 75 5.683 -0.178 -9.751 1.00 0.23 C ATOM 1043 CG PRO A 75 4.904 -0.987 -10.733 1.00 0.25 C ATOM 1044 CD PRO A 75 3.505 -1.071 -10.200 1.00 0.22 C ATOM 0 HA PRO A 75 5.533 -0.948 -7.683 1.00 0.20 H new ATOM 0 HB2 PRO A 75 5.712 0.871 -10.046 1.00 0.23 H new ATOM 0 HB3 PRO A 75 6.716 -0.522 -9.694 1.00 0.23 H new ATOM 0 HG2 PRO A 75 4.917 -0.520 -11.718 1.00 0.25 H new ATOM 0 HG3 PRO A 75 5.336 -1.981 -10.846 1.00 0.25 H new ATOM 0 HD2 PRO A 75 2.883 -0.255 -10.569 1.00 0.22 H new ATOM 0 HD3 PRO A 75 3.017 -2.001 -10.493 1.00 0.22 H new ATOM 1052 N VAL A 76 5.562 1.242 -6.686 1.00 0.19 N ATOM 1053 CA VAL A 76 5.486 2.461 -5.886 1.00 0.18 C ATOM 1054 C VAL A 76 5.883 3.691 -6.695 1.00 0.19 C ATOM 1055 O VAL A 76 5.290 4.763 -6.562 1.00 0.19 O ATOM 1056 CB VAL A 76 6.408 2.361 -4.655 1.00 0.21 C ATOM 1057 CG1 VAL A 76 6.379 3.649 -3.855 1.00 0.30 C ATOM 1058 CG2 VAL A 76 6.013 1.182 -3.782 1.00 0.25 C ATOM 0 H VAL A 76 6.271 0.583 -6.364 1.00 0.19 H new ATOM 0 HA VAL A 76 4.449 2.567 -5.567 1.00 0.18 H new ATOM 0 HB VAL A 76 7.427 2.201 -5.007 1.00 0.21 H new ATOM 0 HG11 VAL A 76 7.037 3.556 -2.991 1.00 0.30 H new ATOM 0 HG12 VAL A 76 6.718 4.474 -4.481 1.00 0.30 H new ATOM 0 HG13 VAL A 76 5.361 3.844 -3.517 1.00 0.30 H new ATOM 0 HG21 VAL A 76 6.677 1.130 -2.919 1.00 0.25 H new ATOM 0 HG22 VAL A 76 4.985 1.309 -3.442 1.00 0.25 H new ATOM 0 HG23 VAL A 76 6.094 0.260 -4.358 1.00 0.25 H new ATOM 1068 N ASP A 77 6.886 3.528 -7.539 1.00 0.21 N ATOM 1069 CA ASP A 77 7.372 4.618 -8.380 1.00 0.24 C ATOM 1070 C ASP A 77 6.348 4.963 -9.461 1.00 0.23 C ATOM 1071 O ASP A 77 6.423 6.008 -10.104 1.00 0.30 O ATOM 1072 CB ASP A 77 8.709 4.209 -9.007 1.00 0.31 C ATOM 1073 CG ASP A 77 9.279 5.242 -9.961 1.00 0.73 C ATOM 1074 OD1 ASP A 77 9.918 6.209 -9.491 1.00 0.77 O ATOM 1075 OD2 ASP A 77 9.115 5.077 -11.190 1.00 1.29 O ATOM 0 H ASP A 77 7.385 2.647 -7.664 1.00 0.21 H new ATOM 0 HA ASP A 77 7.519 5.509 -7.769 1.00 0.24 H new ATOM 0 HB2 ASP A 77 9.431 4.025 -8.212 1.00 0.31 H new ATOM 0 HB3 ASP A 77 8.576 3.268 -9.542 1.00 0.31 H new ATOM 1080 N LYS A 78 5.368 4.087 -9.631 1.00 0.19 N ATOM 1081 CA LYS A 78 4.381 4.233 -10.692 1.00 0.20 C ATOM 1082 C LYS A 78 3.071 4.825 -10.169 1.00 0.17 C ATOM 1083 O LYS A 78 2.157 5.113 -10.946 1.00 0.18 O ATOM 1084 CB LYS A 78 4.132 2.879 -11.365 1.00 0.22 C ATOM 1085 CG LYS A 78 5.133 2.541 -12.468 1.00 0.28 C ATOM 1086 CD LYS A 78 6.579 2.662 -12.009 1.00 0.34 C ATOM 1087 CE LYS A 78 7.542 2.606 -13.184 1.00 0.47 C ATOM 1088 NZ LYS A 78 8.937 2.916 -12.774 1.00 1.54 N ATOM 0 H LYS A 78 5.235 3.263 -9.044 1.00 0.19 H new ATOM 0 HA LYS A 78 4.779 4.930 -11.429 1.00 0.20 H new ATOM 0 HB2 LYS A 78 4.164 2.096 -10.607 1.00 0.22 H new ATOM 0 HB3 LYS A 78 3.127 2.873 -11.786 1.00 0.22 H new ATOM 0 HG2 LYS A 78 4.952 1.525 -12.818 1.00 0.28 H new ATOM 0 HG3 LYS A 78 4.969 3.205 -13.317 1.00 0.28 H new ATOM 0 HD2 LYS A 78 6.714 3.600 -11.471 1.00 0.34 H new ATOM 0 HD3 LYS A 78 6.809 1.858 -11.310 1.00 0.34 H new ATOM 0 HE2 LYS A 78 7.508 1.614 -13.634 1.00 0.47 H new ATOM 0 HE3 LYS A 78 7.223 3.314 -13.949 1.00 0.47 H new ATOM 0 HZ1 LYS A 78 9.457 3.312 -13.583 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 8.925 3.608 -11.998 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 9.407 2.045 -12.454 1.00 1.54 H new ATOM 1102 N ILE A 79 2.975 4.997 -8.855 1.00 0.18 N ATOM 1103 CA ILE A 79 1.814 5.646 -8.255 1.00 0.16 C ATOM 1104 C ILE A 79 1.750 7.101 -8.706 1.00 0.18 C ATOM 1105 O ILE A 79 2.720 7.845 -8.546 1.00 0.26 O ATOM 1106 CB ILE A 79 1.867 5.617 -6.713 1.00 0.17 C ATOM 1107 CG1 ILE A 79 2.247 4.224 -6.205 1.00 0.18 C ATOM 1108 CG2 ILE A 79 0.525 6.045 -6.136 1.00 0.18 C ATOM 1109 CD1 ILE A 79 2.262 4.112 -4.695 1.00 0.19 C ATOM 0 H ILE A 79 3.685 4.697 -8.186 1.00 0.18 H new ATOM 0 HA ILE A 79 0.931 5.096 -8.582 1.00 0.16 H new ATOM 0 HB ILE A 79 2.634 6.318 -6.382 1.00 0.17 H new ATOM 0 HG12 ILE A 79 1.544 3.495 -6.608 1.00 0.18 H new ATOM 0 HG13 ILE A 79 3.233 3.962 -6.590 1.00 0.18 H new ATOM 0 HG21 ILE A 79 0.573 6.021 -5.047 1.00 0.18 H new ATOM 0 HG22 ILE A 79 0.293 7.057 -6.467 1.00 0.18 H new ATOM 0 HG23 ILE A 79 -0.253 5.363 -6.480 1.00 0.18 H new ATOM 0 HD11 ILE A 79 2.540 3.098 -4.408 1.00 0.19 H new ATOM 0 HD12 ILE A 79 2.986 4.816 -4.285 1.00 0.19 H new ATOM 0 HD13 ILE A 79 1.271 4.342 -4.303 1.00 0.19 H new ATOM 1121 N THR A 80 0.617 7.509 -9.265 1.00 0.15 N ATOM 1122 CA THR A 80 0.496 8.853 -9.798 1.00 0.18 C ATOM 1123 C THR A 80 0.059 9.835 -8.710 1.00 0.21 C ATOM 1124 O THR A 80 0.487 10.990 -8.706 1.00 0.28 O ATOM 1125 CB THR A 80 -0.467 8.927 -11.006 1.00 0.20 C ATOM 1126 OG1 THR A 80 -0.424 10.232 -11.594 1.00 0.27 O ATOM 1127 CG2 THR A 80 -1.899 8.605 -10.617 1.00 0.18 C ATOM 0 H THR A 80 -0.220 6.934 -9.359 1.00 0.15 H new ATOM 0 HA THR A 80 1.486 9.137 -10.155 1.00 0.18 H new ATOM 0 HB THR A 80 -0.134 8.179 -11.725 1.00 0.20 H new ATOM 0 HG1 THR A 80 -1.036 10.267 -12.358 1.00 0.27 H new ATOM 0 HG21 THR A 80 -2.538 8.670 -11.497 1.00 0.18 H new ATOM 0 HG22 THR A 80 -1.947 7.596 -10.207 1.00 0.18 H new ATOM 0 HG23 THR A 80 -2.241 9.318 -9.867 1.00 0.18 H new ATOM 1135 N SER A 81 -0.786 9.378 -7.785 1.00 0.18 N ATOM 1136 CA SER A 81 -1.252 10.226 -6.693 1.00 0.21 C ATOM 1137 C SER A 81 -1.792 9.400 -5.527 1.00 0.17 C ATOM 1138 O SER A 81 -2.607 8.493 -5.717 1.00 0.19 O ATOM 1139 CB SER A 81 -2.351 11.178 -7.184 1.00 0.30 C ATOM 1140 OG SER A 81 -1.856 12.096 -8.144 1.00 0.88 O ATOM 0 H SER A 81 -1.159 8.429 -7.772 1.00 0.18 H new ATOM 0 HA SER A 81 -0.394 10.800 -6.344 1.00 0.21 H new ATOM 0 HB2 SER A 81 -3.166 10.600 -7.619 1.00 0.30 H new ATOM 0 HB3 SER A 81 -2.765 11.725 -6.337 1.00 0.30 H new ATOM 0 HG SER A 81 -0.881 12.016 -8.201 1.00 0.88 H new ATOM 1146 N VAL A 82 -1.333 9.729 -4.330 1.00 0.20 N ATOM 1147 CA VAL A 82 -1.895 9.188 -3.106 1.00 0.21 C ATOM 1148 C VAL A 82 -2.607 10.311 -2.380 1.00 0.21 C ATOM 1149 O VAL A 82 -1.977 11.223 -1.848 1.00 0.24 O ATOM 1150 CB VAL A 82 -0.817 8.560 -2.191 1.00 0.27 C ATOM 1151 CG1 VAL A 82 -1.381 8.226 -0.816 1.00 1.36 C ATOM 1152 CG2 VAL A 82 -0.245 7.314 -2.839 1.00 1.01 C ATOM 0 H VAL A 82 -0.561 10.378 -4.181 1.00 0.20 H new ATOM 0 HA VAL A 82 -2.589 8.388 -3.363 1.00 0.21 H new ATOM 0 HB VAL A 82 -0.021 9.293 -2.057 1.00 0.27 H new ATOM 0 HG11 VAL A 82 -0.598 7.787 -0.198 1.00 1.36 H new ATOM 0 HG12 VAL A 82 -1.749 9.136 -0.343 1.00 1.36 H new ATOM 0 HG13 VAL A 82 -2.201 7.516 -0.922 1.00 1.36 H new ATOM 0 HG21 VAL A 82 0.513 6.880 -2.187 1.00 1.01 H new ATOM 0 HG22 VAL A 82 -1.043 6.589 -3.001 1.00 1.01 H new ATOM 0 HG23 VAL A 82 0.207 7.576 -3.796 1.00 1.01 H new ATOM 1162 N LYS A 83 -3.922 10.260 -2.409 1.00 0.21 N ATOM 1163 CA LYS A 83 -4.739 11.346 -1.913 1.00 0.23 C ATOM 1164 C LYS A 83 -5.834 10.811 -1.003 1.00 0.22 C ATOM 1165 O LYS A 83 -6.078 9.602 -0.942 1.00 0.21 O ATOM 1166 CB LYS A 83 -5.360 12.087 -3.099 1.00 0.30 C ATOM 1167 CG LYS A 83 -4.928 11.520 -4.445 1.00 0.80 C ATOM 1168 CD LYS A 83 -6.089 11.431 -5.406 1.00 0.55 C ATOM 1169 CE LYS A 83 -5.823 10.419 -6.504 1.00 1.14 C ATOM 1170 NZ LYS A 83 -6.921 10.380 -7.503 1.00 1.70 N ATOM 0 H LYS A 83 -4.452 9.469 -2.775 1.00 0.21 H new ATOM 0 HA LYS A 83 -4.117 12.031 -1.337 1.00 0.23 H new ATOM 0 HB2 LYS A 83 -6.446 12.039 -3.022 1.00 0.30 H new ATOM 0 HB3 LYS A 83 -5.083 13.140 -3.048 1.00 0.30 H new ATOM 0 HG2 LYS A 83 -4.148 12.150 -4.873 1.00 0.80 H new ATOM 0 HG3 LYS A 83 -4.496 10.530 -4.302 1.00 0.80 H new ATOM 0 HD2 LYS A 83 -6.992 11.152 -4.863 1.00 0.55 H new ATOM 0 HD3 LYS A 83 -6.273 12.410 -5.848 1.00 0.55 H new ATOM 0 HE2 LYS A 83 -4.886 10.665 -7.004 1.00 1.14 H new ATOM 0 HE3 LYS A 83 -5.699 9.430 -6.063 1.00 1.14 H new ATOM 0 HZ1 LYS A 83 -6.894 9.474 -8.013 1.00 1.70 H new ATOM 0 HZ2 LYS A 83 -7.836 10.477 -7.018 1.00 1.70 H new ATOM 0 HZ3 LYS A 83 -6.804 11.162 -8.179 1.00 1.70 H new ATOM 1184 N SER A 84 -6.472 11.702 -0.280 1.00 0.26 N ATOM 1185 CA SER A 84 -7.611 11.341 0.528 1.00 0.26 C ATOM 1186 C SER A 84 -8.859 12.034 -0.012 1.00 0.29 C ATOM 1187 O SER A 84 -8.760 13.072 -0.668 1.00 0.32 O ATOM 1188 CB SER A 84 -7.356 11.706 1.991 1.00 0.30 C ATOM 1189 OG SER A 84 -7.061 13.086 2.132 1.00 0.72 O ATOM 0 H SER A 84 -6.218 12.689 -0.236 1.00 0.26 H new ATOM 0 HA SER A 84 -7.769 10.264 0.479 1.00 0.26 H new ATOM 0 HB2 SER A 84 -8.232 11.456 2.589 1.00 0.30 H new ATOM 0 HB3 SER A 84 -6.527 11.113 2.377 1.00 0.30 H new ATOM 0 HG SER A 84 -6.904 13.292 3.077 1.00 0.72 H new ATOM 1195 N GLN A 85 -10.020 11.441 0.235 1.00 0.30 N ATOM 1196 CA GLN A 85 -11.297 11.979 -0.245 1.00 0.37 C ATOM 1197 C GLN A 85 -11.594 13.369 0.328 1.00 0.44 C ATOM 1198 O GLN A 85 -10.764 13.954 1.023 1.00 0.47 O ATOM 1199 CB GLN A 85 -12.428 11.022 0.121 1.00 0.37 C ATOM 1200 CG GLN A 85 -13.075 10.341 -1.072 1.00 0.41 C ATOM 1201 CD GLN A 85 -12.157 9.354 -1.767 1.00 0.39 C ATOM 1202 OE1 GLN A 85 -11.311 8.687 -0.998 1.00 0.46 O flip ATOM 1203 NE2 GLN A 85 -12.223 9.175 -2.983 1.00 0.34 N flip ATOM 0 H GLN A 85 -10.109 10.577 0.771 1.00 0.30 H new ATOM 0 HA GLN A 85 -11.223 12.079 -1.328 1.00 0.37 H new ATOM 0 HB2 GLN A 85 -12.040 10.258 0.795 1.00 0.37 H new ATOM 0 HB3 GLN A 85 -13.192 11.573 0.670 1.00 0.37 H new ATOM 0 HG2 GLN A 85 -13.974 9.821 -0.742 1.00 0.41 H new ATOM 0 HG3 GLN A 85 -13.391 11.100 -1.788 1.00 0.41 H new ATOM 0 HE21 GLN A 85 -12.889 9.709 -3.542 1.00 0.34 H new ATOM 0 HE22 GLN A 85 -11.612 8.493 -3.432 1.00 0.34 H new ATOM 1212 N ALA A 86 -12.780 13.890 0.043 1.00 0.52 N ATOM 1213 CA ALA A 86 -13.153 15.216 0.519 1.00 0.61 C ATOM 1214 C ALA A 86 -13.348 15.217 2.029 1.00 0.67 C ATOM 1215 O ALA A 86 -12.858 16.109 2.724 1.00 0.72 O ATOM 1216 CB ALA A 86 -14.412 15.695 -0.180 1.00 0.71 C ATOM 0 H ALA A 86 -13.496 13.419 -0.511 1.00 0.52 H new ATOM 0 HA ALA A 86 -12.341 15.903 0.282 1.00 0.61 H new ATOM 0 HB1 ALA A 86 -14.677 16.687 0.187 1.00 0.71 H new ATOM 0 HB2 ALA A 86 -14.236 15.741 -1.255 1.00 0.71 H new ATOM 0 HB3 ALA A 86 -15.228 15.002 0.025 1.00 0.71 H new ATOM 1222 N ASP A 87 -14.050 14.212 2.536 1.00 0.71 N ATOM 1223 CA ASP A 87 -14.230 14.072 3.981 1.00 0.80 C ATOM 1224 C ASP A 87 -13.366 12.934 4.495 1.00 0.65 C ATOM 1225 O ASP A 87 -12.947 12.929 5.650 1.00 0.69 O ATOM 1226 CB ASP A 87 -15.703 13.809 4.310 1.00 0.98 C ATOM 1227 CG ASP A 87 -15.910 13.297 5.722 1.00 1.32 C ATOM 1228 OD1 ASP A 87 -15.985 14.120 6.659 1.00 1.59 O ATOM 1229 OD2 ASP A 87 -16.006 12.063 5.900 1.00 1.50 O ATOM 0 H ASP A 87 -14.501 13.487 1.978 1.00 0.71 H new ATOM 0 HA ASP A 87 -13.928 14.999 4.469 1.00 0.80 H new ATOM 0 HB2 ASP A 87 -16.270 14.730 4.176 1.00 0.98 H new ATOM 0 HB3 ASP A 87 -16.104 13.083 3.603 1.00 0.98 H new ATOM 1234 N ASN A 88 -13.084 12.005 3.582 1.00 0.50 N ATOM 1235 CA ASN A 88 -12.109 10.922 3.758 1.00 0.37 C ATOM 1236 C ASN A 88 -11.976 10.393 5.190 1.00 0.39 C ATOM 1237 O ASN A 88 -10.861 10.147 5.649 1.00 0.44 O ATOM 1238 CB ASN A 88 -10.733 11.374 3.257 1.00 0.36 C ATOM 1239 CG ASN A 88 -10.145 12.547 4.039 1.00 0.49 C ATOM 1240 OD1 ASN A 88 -10.433 13.705 3.750 1.00 1.10 O ATOM 1241 ND2 ASN A 88 -9.299 12.260 5.013 1.00 1.14 N ATOM 0 H ASN A 88 -13.540 11.982 2.670 1.00 0.50 H new ATOM 0 HA ASN A 88 -12.496 10.091 3.169 1.00 0.37 H new ATOM 0 HB2 ASN A 88 -10.043 10.532 3.310 1.00 0.36 H new ATOM 0 HB3 ASN A 88 -10.813 11.654 2.207 1.00 0.36 H new ATOM 0 HD21 ASN A 88 -8.865 13.011 5.549 1.00 1.14 H new ATOM 0 HD22 ASN A 88 -9.080 11.287 5.229 1.00 1.14 H new ATOM 1248 N THR A 89 -13.087 10.187 5.890 1.00 0.43 N ATOM 1249 CA THR A 89 -13.012 9.645 7.239 1.00 0.48 C ATOM 1250 C THR A 89 -12.277 8.306 7.212 1.00 0.43 C ATOM 1251 O THR A 89 -11.193 8.166 7.776 1.00 0.48 O ATOM 1252 CB THR A 89 -14.405 9.468 7.882 1.00 0.58 C ATOM 1253 OG1 THR A 89 -15.082 10.732 7.966 1.00 0.68 O ATOM 1254 CG2 THR A 89 -14.288 8.869 9.276 1.00 0.67 C ATOM 0 H THR A 89 -14.030 10.383 5.554 1.00 0.43 H new ATOM 0 HA THR A 89 -12.465 10.362 7.851 1.00 0.48 H new ATOM 0 HB THR A 89 -14.979 8.789 7.251 1.00 0.58 H new ATOM 0 HG1 THR A 89 -15.160 11.122 7.070 1.00 0.68 H new ATOM 0 HG21 THR A 89 -15.282 8.754 9.707 1.00 0.67 H new ATOM 0 HG22 THR A 89 -13.805 7.894 9.214 1.00 0.67 H new ATOM 0 HG23 THR A 89 -13.693 9.529 9.907 1.00 0.67 H new ATOM 1262 N LYS A 90 -12.872 7.324 6.557 1.00 0.38 N ATOM 1263 CA LYS A 90 -12.203 6.055 6.333 1.00 0.35 C ATOM 1264 C LYS A 90 -11.925 5.831 4.846 1.00 0.29 C ATOM 1265 O LYS A 90 -11.569 4.727 4.436 1.00 0.32 O ATOM 1266 CB LYS A 90 -13.033 4.910 6.908 1.00 0.44 C ATOM 1267 CG LYS A 90 -14.447 4.851 6.349 1.00 0.68 C ATOM 1268 CD LYS A 90 -15.271 3.762 7.012 1.00 0.78 C ATOM 1269 CE LYS A 90 -15.246 3.893 8.526 1.00 1.07 C ATOM 1270 NZ LYS A 90 -16.201 2.964 9.178 1.00 1.47 N ATOM 0 H LYS A 90 -13.815 7.381 6.172 1.00 0.38 H new ATOM 0 HA LYS A 90 -11.243 6.081 6.848 1.00 0.35 H new ATOM 0 HB2 LYS A 90 -12.529 3.966 6.702 1.00 0.44 H new ATOM 0 HB3 LYS A 90 -13.082 5.015 7.992 1.00 0.44 H new ATOM 0 HG2 LYS A 90 -14.935 5.815 6.493 1.00 0.68 H new ATOM 0 HG3 LYS A 90 -14.406 4.672 5.275 1.00 0.68 H new ATOM 0 HD2 LYS A 90 -16.300 3.816 6.657 1.00 0.78 H new ATOM 0 HD3 LYS A 90 -14.885 2.784 6.723 1.00 0.78 H new ATOM 0 HE2 LYS A 90 -14.239 3.693 8.891 1.00 1.07 H new ATOM 0 HE3 LYS A 90 -15.489 4.918 8.806 1.00 1.07 H new ATOM 0 HZ1 LYS A 90 -15.981 2.896 10.192 1.00 1.47 H new ATOM 0 HZ2 LYS A 90 -17.170 3.321 9.057 1.00 1.47 H new ATOM 0 HZ3 LYS A 90 -16.122 2.023 8.743 1.00 1.47 H new ATOM 1284 N VAL A 91 -12.079 6.879 4.043 1.00 0.27 N ATOM 1285 CA VAL A 91 -12.051 6.732 2.590 1.00 0.25 C ATOM 1286 C VAL A 91 -10.786 7.327 1.973 1.00 0.22 C ATOM 1287 O VAL A 91 -10.646 8.548 1.857 1.00 0.31 O ATOM 1288 CB VAL A 91 -13.272 7.406 1.938 1.00 0.29 C ATOM 1289 CG1 VAL A 91 -13.467 6.905 0.514 1.00 0.35 C ATOM 1290 CG2 VAL A 91 -14.526 7.170 2.762 1.00 0.39 C ATOM 0 H VAL A 91 -12.224 7.834 4.370 1.00 0.27 H new ATOM 0 HA VAL A 91 -12.069 5.659 2.396 1.00 0.25 H new ATOM 0 HB VAL A 91 -13.085 8.479 1.903 1.00 0.29 H new ATOM 0 HG11 VAL A 91 -14.335 7.394 0.072 1.00 0.35 H new ATOM 0 HG12 VAL A 91 -12.581 7.135 -0.077 1.00 0.35 H new ATOM 0 HG13 VAL A 91 -13.625 5.827 0.526 1.00 0.35 H new ATOM 0 HG21 VAL A 91 -15.375 7.656 2.281 1.00 0.39 H new ATOM 0 HG22 VAL A 91 -14.716 6.099 2.837 1.00 0.39 H new ATOM 0 HG23 VAL A 91 -14.389 7.585 3.760 1.00 0.39 H new ATOM 1300 N LEU A 92 -9.877 6.457 1.567 1.00 0.20 N ATOM 1301 CA LEU A 92 -8.657 6.869 0.877 1.00 0.17 C ATOM 1302 C LEU A 92 -8.815 6.707 -0.625 1.00 0.17 C ATOM 1303 O LEU A 92 -9.585 5.871 -1.080 1.00 0.19 O ATOM 1304 CB LEU A 92 -7.464 6.042 1.346 1.00 0.17 C ATOM 1305 CG LEU A 92 -6.682 6.604 2.532 1.00 0.18 C ATOM 1306 CD1 LEU A 92 -7.613 7.120 3.615 1.00 0.22 C ATOM 1307 CD2 LEU A 92 -5.754 5.533 3.081 1.00 0.19 C ATOM 0 H LEU A 92 -9.959 5.449 1.703 1.00 0.20 H new ATOM 0 HA LEU A 92 -8.480 7.918 1.113 1.00 0.17 H new ATOM 0 HB2 LEU A 92 -7.819 5.046 1.610 1.00 0.17 H new ATOM 0 HB3 LEU A 92 -6.778 5.923 0.508 1.00 0.17 H new ATOM 0 HG LEU A 92 -6.088 7.450 2.188 1.00 0.18 H new ATOM 0 HD11 LEU A 92 -7.024 7.513 4.444 1.00 0.22 H new ATOM 0 HD12 LEU A 92 -8.241 7.913 3.208 1.00 0.22 H new ATOM 0 HD13 LEU A 92 -8.243 6.305 3.971 1.00 0.22 H new ATOM 0 HD21 LEU A 92 -5.196 5.934 3.927 1.00 0.19 H new ATOM 0 HD22 LEU A 92 -6.342 4.675 3.408 1.00 0.19 H new ATOM 0 HD23 LEU A 92 -5.058 5.221 2.303 1.00 0.19 H new ATOM 1319 N VAL A 93 -8.114 7.525 -1.391 1.00 0.17 N ATOM 1320 CA VAL A 93 -8.155 7.428 -2.841 1.00 0.18 C ATOM 1321 C VAL A 93 -6.742 7.471 -3.429 1.00 0.17 C ATOM 1322 O VAL A 93 -6.071 8.502 -3.428 1.00 0.19 O ATOM 1323 CB VAL A 93 -9.045 8.542 -3.447 1.00 0.20 C ATOM 1324 CG1 VAL A 93 -8.759 9.887 -2.805 1.00 0.20 C ATOM 1325 CG2 VAL A 93 -8.872 8.627 -4.950 1.00 0.24 C ATOM 0 H VAL A 93 -7.509 8.264 -1.033 1.00 0.17 H new ATOM 0 HA VAL A 93 -8.599 6.468 -3.103 1.00 0.18 H new ATOM 0 HB VAL A 93 -10.082 8.278 -3.237 1.00 0.20 H new ATOM 0 HG11 VAL A 93 -9.400 10.647 -3.252 1.00 0.20 H new ATOM 0 HG12 VAL A 93 -8.957 9.829 -1.735 1.00 0.20 H new ATOM 0 HG13 VAL A 93 -7.714 10.152 -2.966 1.00 0.20 H new ATOM 0 HG21 VAL A 93 -9.510 9.418 -5.345 1.00 0.24 H new ATOM 0 HG22 VAL A 93 -7.831 8.849 -5.184 1.00 0.24 H new ATOM 0 HG23 VAL A 93 -9.151 7.676 -5.403 1.00 0.24 H new ATOM 1335 N ILE A 94 -6.299 6.332 -3.934 1.00 0.16 N ATOM 1336 CA ILE A 94 -4.958 6.202 -4.484 1.00 0.15 C ATOM 1337 C ILE A 94 -5.028 5.797 -5.950 1.00 0.15 C ATOM 1338 O ILE A 94 -5.651 4.799 -6.293 1.00 0.17 O ATOM 1339 CB ILE A 94 -4.116 5.160 -3.697 1.00 0.16 C ATOM 1340 CG1 ILE A 94 -3.627 5.730 -2.357 1.00 0.17 C ATOM 1341 CG2 ILE A 94 -2.931 4.678 -4.525 1.00 0.16 C ATOM 1342 CD1 ILE A 94 -4.712 5.907 -1.316 1.00 0.18 C ATOM 0 H ILE A 94 -6.853 5.477 -3.975 1.00 0.16 H new ATOM 0 HA ILE A 94 -4.470 7.173 -4.394 1.00 0.15 H new ATOM 0 HB ILE A 94 -4.765 4.310 -3.489 1.00 0.16 H new ATOM 0 HG12 ILE A 94 -2.859 5.069 -1.954 1.00 0.17 H new ATOM 0 HG13 ILE A 94 -3.154 6.695 -2.538 1.00 0.17 H new ATOM 0 HG21 ILE A 94 -2.358 3.950 -3.951 1.00 0.16 H new ATOM 0 HG22 ILE A 94 -3.293 4.214 -5.442 1.00 0.16 H new ATOM 0 HG23 ILE A 94 -2.293 5.526 -4.775 1.00 0.16 H new ATOM 0 HD11 ILE A 94 -4.277 6.314 -0.403 1.00 0.18 H new ATOM 0 HD12 ILE A 94 -5.470 6.593 -1.694 1.00 0.18 H new ATOM 0 HD13 ILE A 94 -5.171 4.942 -1.101 1.00 0.18 H new ATOM 1354 N THR A 95 -4.392 6.569 -6.807 1.00 0.14 N ATOM 1355 CA THR A 95 -4.408 6.291 -8.232 1.00 0.13 C ATOM 1356 C THR A 95 -2.992 6.018 -8.733 1.00 0.11 C ATOM 1357 O THR A 95 -2.027 6.631 -8.268 1.00 0.12 O ATOM 1358 CB THR A 95 -5.023 7.466 -9.017 1.00 0.16 C ATOM 1359 OG1 THR A 95 -6.275 7.840 -8.422 1.00 0.20 O ATOM 1360 CG2 THR A 95 -5.254 7.099 -10.478 1.00 0.16 C ATOM 0 H THR A 95 -3.856 7.396 -6.543 1.00 0.14 H new ATOM 0 HA THR A 95 -5.024 5.407 -8.396 1.00 0.13 H new ATOM 0 HB THR A 95 -4.322 8.300 -8.978 1.00 0.16 H new ATOM 0 HG1 THR A 95 -6.976 7.224 -8.721 1.00 0.20 H new ATOM 0 HG21 THR A 95 -5.689 7.950 -11.003 1.00 0.16 H new ATOM 0 HG22 THR A 95 -4.304 6.834 -10.941 1.00 0.16 H new ATOM 0 HG23 THR A 95 -5.935 6.250 -10.537 1.00 0.16 H new ATOM 1368 N VAL A 96 -2.872 5.096 -9.671 1.00 0.11 N ATOM 1369 CA VAL A 96 -1.587 4.741 -10.244 1.00 0.10 C ATOM 1370 C VAL A 96 -1.569 5.028 -11.746 1.00 0.11 C ATOM 1371 O VAL A 96 -2.577 4.838 -12.427 1.00 0.14 O ATOM 1372 CB VAL A 96 -1.267 3.255 -9.981 1.00 0.12 C ATOM 1373 CG1 VAL A 96 -2.479 2.384 -10.257 1.00 0.14 C ATOM 1374 CG2 VAL A 96 -0.089 2.799 -10.817 1.00 0.14 C ATOM 0 H VAL A 96 -3.659 4.574 -10.056 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.821 5.351 -9.765 1.00 0.10 H new ATOM 0 HB VAL A 96 -1.001 3.152 -8.929 1.00 0.12 H new ATOM 0 HG11 VAL A 96 -2.229 1.341 -10.065 1.00 0.14 H new ATOM 0 HG12 VAL A 96 -3.300 2.686 -9.607 1.00 0.14 H new ATOM 0 HG13 VAL A 96 -2.780 2.499 -11.298 1.00 0.14 H new ATOM 0 HG21 VAL A 96 0.117 1.748 -10.613 1.00 0.14 H new ATOM 0 HG22 VAL A 96 -0.323 2.925 -11.874 1.00 0.14 H new ATOM 0 HG23 VAL A 96 0.788 3.396 -10.566 1.00 0.14 H new ATOM 1384 N ASN A 97 -0.433 5.494 -12.262 1.00 0.14 N ATOM 1385 CA ASN A 97 -0.331 5.791 -13.683 1.00 0.23 C ATOM 1386 C ASN A 97 0.922 5.173 -14.288 1.00 0.34 C ATOM 1387 O ASN A 97 2.013 5.743 -14.217 1.00 0.81 O ATOM 1388 CB ASN A 97 -0.338 7.296 -13.934 1.00 0.44 C ATOM 1389 CG ASN A 97 -0.473 7.639 -15.407 1.00 1.14 C ATOM 1390 OD1 ASN A 97 0.519 7.772 -16.123 1.00 1.45 O ATOM 1391 ND2 ASN A 97 -1.705 7.796 -15.868 1.00 1.87 N ATOM 0 H ASN A 97 0.416 5.671 -11.724 1.00 0.14 H new ATOM 0 HA ASN A 97 -1.204 5.352 -14.166 1.00 0.23 H new ATOM 0 HB2 ASN A 97 -1.161 7.749 -13.382 1.00 0.44 H new ATOM 0 HB3 ASN A 97 0.583 7.730 -13.546 1.00 0.44 H new ATOM 0 HD21 ASN A 97 -1.856 8.036 -16.848 1.00 1.87 H new ATOM 0 HD22 ASN A 97 -2.502 7.677 -15.243 1.00 1.87 H new ATOM 1398 N ASN A 98 0.720 4.000 -14.864 1.00 0.42 N ATOM 1399 CA ASN A 98 1.716 3.269 -15.657 1.00 0.43 C ATOM 1400 C ASN A 98 1.185 1.850 -15.883 1.00 0.38 C ATOM 1401 O ASN A 98 1.091 1.402 -17.025 1.00 0.43 O ATOM 1402 CB ASN A 98 3.115 3.262 -15.025 1.00 0.51 C ATOM 1403 CG ASN A 98 4.151 2.582 -15.903 1.00 0.58 C ATOM 1404 OD1 ASN A 98 4.766 3.217 -16.761 1.00 0.75 O ATOM 1405 ND2 ASN A 98 4.367 1.293 -15.689 1.00 0.57 N ATOM 0 H ASN A 98 -0.170 3.506 -14.795 1.00 0.42 H new ATOM 0 HA ASN A 98 1.851 3.782 -16.609 1.00 0.43 H new ATOM 0 HB2 ASN A 98 3.427 4.288 -14.831 1.00 0.51 H new ATOM 0 HB3 ASN A 98 3.071 2.754 -14.061 1.00 0.51 H new ATOM 0 HD21 ASN A 98 5.062 0.793 -16.244 1.00 0.57 H new ATOM 0 HD22 ASN A 98 3.838 0.800 -14.969 1.00 0.57 H new ATOM 1412 N PRO A 99 0.824 1.112 -14.802 1.00 0.35 N ATOM 1413 CA PRO A 99 -0.174 0.044 -14.894 1.00 0.34 C ATOM 1414 C PRO A 99 -1.508 0.620 -15.349 1.00 0.30 C ATOM 1415 O PRO A 99 -1.656 1.845 -15.454 1.00 0.29 O ATOM 1416 CB PRO A 99 -0.302 -0.492 -13.467 1.00 0.36 C ATOM 1417 CG PRO A 99 0.949 -0.085 -12.784 1.00 0.40 C ATOM 1418 CD PRO A 99 1.396 1.191 -13.440 1.00 0.38 C ATOM 0 HA PRO A 99 0.111 -0.730 -15.607 1.00 0.34 H new ATOM 0 HB2 PRO A 99 -1.177 -0.076 -12.967 1.00 0.36 H new ATOM 0 HB3 PRO A 99 -0.418 -1.576 -13.463 1.00 0.36 H new ATOM 0 HG2 PRO A 99 0.778 0.066 -11.718 1.00 0.40 H new ATOM 0 HG3 PRO A 99 1.712 -0.858 -12.878 1.00 0.40 H new ATOM 0 HD2 PRO A 99 1.029 2.066 -12.903 1.00 0.38 H new ATOM 0 HD3 PRO A 99 2.483 1.266 -13.467 1.00 0.38 H new ATOM 1426 N GLN A 100 -2.473 -0.240 -15.618 1.00 0.34 N ATOM 1427 CA GLN A 100 -3.780 0.221 -16.056 1.00 0.36 C ATOM 1428 C GLN A 100 -4.386 1.108 -14.967 1.00 0.32 C ATOM 1429 O GLN A 100 -4.388 0.744 -13.787 1.00 0.31 O ATOM 1430 CB GLN A 100 -4.706 -0.964 -16.353 1.00 0.46 C ATOM 1431 CG GLN A 100 -5.065 -1.783 -15.125 1.00 1.17 C ATOM 1432 CD GLN A 100 -6.138 -2.820 -15.395 1.00 1.25 C ATOM 1433 OE1 GLN A 100 -6.166 -3.360 -16.602 1.00 1.54 O flip ATOM 1434 NE2 GLN A 100 -6.933 -3.141 -14.512 1.00 1.87 N flip ATOM 0 H GLN A 100 -2.380 -1.253 -15.542 1.00 0.34 H new ATOM 0 HA GLN A 100 -3.667 0.794 -16.976 1.00 0.36 H new ATOM 0 HB2 GLN A 100 -5.622 -0.591 -16.811 1.00 0.46 H new ATOM 0 HB3 GLN A 100 -4.226 -1.614 -17.084 1.00 0.46 H new ATOM 0 HG2 GLN A 100 -4.170 -2.283 -14.755 1.00 1.17 H new ATOM 0 HG3 GLN A 100 -5.406 -1.113 -14.336 1.00 1.17 H new ATOM 0 HE21 GLN A 100 -6.879 -2.702 -13.593 1.00 1.87 H new ATOM 0 HE22 GLN A 100 -7.645 -3.847 -14.699 1.00 1.87 H new ATOM 1443 N PRO A 101 -4.868 2.304 -15.348 1.00 0.36 N ATOM 1444 CA PRO A 101 -5.341 3.307 -14.390 1.00 0.35 C ATOM 1445 C PRO A 101 -6.389 2.753 -13.442 1.00 0.32 C ATOM 1446 O PRO A 101 -7.511 2.433 -13.841 1.00 0.39 O ATOM 1447 CB PRO A 101 -5.941 4.400 -15.276 1.00 0.45 C ATOM 1448 CG PRO A 101 -5.260 4.240 -16.589 1.00 0.57 C ATOM 1449 CD PRO A 101 -4.998 2.768 -16.740 1.00 0.46 C ATOM 0 HA PRO A 101 -4.536 3.662 -13.746 1.00 0.35 H new ATOM 0 HB2 PRO A 101 -7.020 4.283 -15.373 1.00 0.45 H new ATOM 0 HB3 PRO A 101 -5.765 5.391 -14.857 1.00 0.45 H new ATOM 0 HG2 PRO A 101 -5.885 4.611 -17.401 1.00 0.57 H new ATOM 0 HG3 PRO A 101 -4.330 4.807 -16.618 1.00 0.57 H new ATOM 0 HD2 PRO A 101 -5.815 2.265 -17.257 1.00 0.46 H new ATOM 0 HD3 PRO A 101 -4.091 2.577 -17.314 1.00 0.46 H new ATOM 1457 N THR A 102 -6.008 2.641 -12.187 1.00 0.26 N ATOM 1458 CA THR A 102 -6.883 2.117 -11.166 1.00 0.25 C ATOM 1459 C THR A 102 -6.761 2.961 -9.905 1.00 0.21 C ATOM 1460 O THR A 102 -5.667 3.395 -9.542 1.00 0.22 O ATOM 1461 CB THR A 102 -6.543 0.647 -10.849 1.00 0.27 C ATOM 1462 OG1 THR A 102 -6.449 -0.105 -12.068 1.00 0.33 O ATOM 1463 CG2 THR A 102 -7.602 0.024 -9.950 1.00 0.30 C ATOM 0 H THR A 102 -5.084 2.911 -11.849 1.00 0.26 H new ATOM 0 HA THR A 102 -7.908 2.158 -11.535 1.00 0.25 H new ATOM 0 HB THR A 102 -5.586 0.624 -10.327 1.00 0.27 H new ATOM 0 HG1 THR A 102 -5.657 0.182 -12.569 1.00 0.33 H new ATOM 0 HG21 THR A 102 -7.338 -1.013 -9.742 1.00 0.30 H new ATOM 0 HG22 THR A 102 -7.657 0.580 -9.014 1.00 0.30 H new ATOM 0 HG23 THR A 102 -8.570 0.059 -10.450 1.00 0.30 H new ATOM 1471 N THR A 103 -7.886 3.214 -9.265 1.00 0.21 N ATOM 1472 CA THR A 103 -7.912 4.010 -8.058 1.00 0.19 C ATOM 1473 C THR A 103 -8.375 3.170 -6.874 1.00 0.20 C ATOM 1474 O THR A 103 -9.538 2.796 -6.775 1.00 0.28 O ATOM 1475 CB THR A 103 -8.824 5.233 -8.235 1.00 0.20 C ATOM 1476 OG1 THR A 103 -8.295 6.090 -9.257 1.00 0.22 O ATOM 1477 CG2 THR A 103 -8.960 6.007 -6.940 1.00 0.22 C ATOM 0 H THR A 103 -8.800 2.876 -9.566 1.00 0.21 H new ATOM 0 HA THR A 103 -6.900 4.361 -7.859 1.00 0.19 H new ATOM 0 HB THR A 103 -9.813 4.880 -8.527 1.00 0.20 H new ATOM 0 HG1 THR A 103 -8.881 6.868 -9.367 1.00 0.22 H new ATOM 0 HG21 THR A 103 -9.611 6.867 -7.097 1.00 0.22 H new ATOM 0 HG22 THR A 103 -9.389 5.362 -6.174 1.00 0.22 H new ATOM 0 HG23 THR A 103 -7.977 6.350 -6.616 1.00 0.22 H new ATOM 1485 N TYR A 104 -7.449 2.881 -5.983 1.00 0.17 N ATOM 1486 CA TYR A 104 -7.711 2.012 -4.856 1.00 0.18 C ATOM 1487 C TYR A 104 -8.194 2.818 -3.666 1.00 0.19 C ATOM 1488 O TYR A 104 -7.520 3.746 -3.218 1.00 0.20 O ATOM 1489 CB TYR A 104 -6.443 1.247 -4.493 1.00 0.19 C ATOM 1490 CG TYR A 104 -5.822 0.544 -5.676 1.00 0.20 C ATOM 1491 CD1 TYR A 104 -6.291 -0.696 -6.096 1.00 0.22 C ATOM 1492 CD2 TYR A 104 -4.758 1.113 -6.362 1.00 0.23 C ATOM 1493 CE1 TYR A 104 -5.719 -1.349 -7.169 1.00 0.26 C ATOM 1494 CE2 TYR A 104 -4.181 0.465 -7.440 1.00 0.25 C ATOM 1495 CZ TYR A 104 -4.693 -0.734 -7.872 1.00 0.26 C ATOM 1496 OH TYR A 104 -4.097 -1.414 -8.911 1.00 0.30 O ATOM 0 H TYR A 104 -6.496 3.241 -6.020 1.00 0.17 H new ATOM 0 HA TYR A 104 -8.492 1.303 -5.131 1.00 0.18 H new ATOM 0 HB2 TYR A 104 -5.717 1.939 -4.066 1.00 0.19 H new ATOM 0 HB3 TYR A 104 -6.676 0.513 -3.722 1.00 0.19 H new ATOM 0 HD1 TYR A 104 -7.117 -1.156 -5.574 1.00 0.22 H new ATOM 0 HD2 TYR A 104 -4.376 2.074 -6.050 1.00 0.23 H new ATOM 0 HE1 TYR A 104 -6.067 -2.330 -7.459 1.00 0.26 H new ATOM 0 HE2 TYR A 104 -3.329 0.901 -7.941 1.00 0.25 H new ATOM 0 HH TYR A 104 -3.397 -0.856 -9.308 1.00 0.30 H new ATOM 1506 N ASN A 105 -9.372 2.479 -3.172 1.00 0.18 N ATOM 1507 CA ASN A 105 -9.911 3.138 -1.995 1.00 0.18 C ATOM 1508 C ASN A 105 -9.749 2.238 -0.790 1.00 0.17 C ATOM 1509 O ASN A 105 -10.472 1.252 -0.642 1.00 0.16 O ATOM 1510 CB ASN A 105 -11.394 3.506 -2.160 1.00 0.20 C ATOM 1511 CG ASN A 105 -11.666 4.526 -3.257 1.00 0.24 C ATOM 1512 OD1 ASN A 105 -10.983 4.401 -4.384 1.00 0.46 O flip ATOM 1513 ND2 ASN A 105 -12.520 5.399 -3.104 1.00 0.26 N flip ATOM 0 H ASN A 105 -9.972 1.754 -3.566 1.00 0.18 H new ATOM 0 HA ASN A 105 -9.354 4.064 -1.856 1.00 0.18 H new ATOM 0 HB2 ASN A 105 -11.960 2.599 -2.374 1.00 0.20 H new ATOM 0 HB3 ASN A 105 -11.767 3.899 -1.214 1.00 0.20 H new ATOM 0 HD21 ASN A 105 -13.028 5.467 -2.222 1.00 0.26 H new ATOM 0 HD22 ASN A 105 -12.720 6.055 -3.859 1.00 0.26 H new ATOM 1520 N PHE A 106 -8.797 2.570 0.066 1.00 0.18 N ATOM 1521 CA PHE A 106 -8.536 1.760 1.243 1.00 0.17 C ATOM 1522 C PHE A 106 -9.483 2.169 2.361 1.00 0.19 C ATOM 1523 O PHE A 106 -9.350 3.247 2.942 1.00 0.23 O ATOM 1524 CB PHE A 106 -7.082 1.924 1.701 1.00 0.19 C ATOM 1525 CG PHE A 106 -6.062 1.613 0.637 1.00 0.18 C ATOM 1526 CD1 PHE A 106 -5.784 0.303 0.272 1.00 0.21 C ATOM 1527 CD2 PHE A 106 -5.378 2.635 0.003 1.00 0.31 C ATOM 1528 CE1 PHE A 106 -4.847 0.024 -0.704 1.00 0.21 C ATOM 1529 CE2 PHE A 106 -4.438 2.361 -0.973 1.00 0.34 C ATOM 1530 CZ PHE A 106 -4.174 1.054 -1.327 1.00 0.23 C ATOM 0 H PHE A 106 -8.196 3.389 -0.031 1.00 0.18 H new ATOM 0 HA PHE A 106 -8.700 0.712 0.992 1.00 0.17 H new ATOM 0 HB2 PHE A 106 -6.934 2.948 2.043 1.00 0.19 H new ATOM 0 HB3 PHE A 106 -6.907 1.274 2.558 1.00 0.19 H new ATOM 0 HD1 PHE A 106 -6.307 -0.508 0.757 1.00 0.21 H new ATOM 0 HD2 PHE A 106 -5.581 3.660 0.274 1.00 0.31 H new ATOM 0 HE1 PHE A 106 -4.642 -1.000 -0.979 1.00 0.21 H new ATOM 0 HE2 PHE A 106 -3.911 3.169 -1.458 1.00 0.34 H new ATOM 0 HZ PHE A 106 -3.442 0.838 -2.091 1.00 0.23 H new ATOM 1540 N THR A 107 -10.422 1.293 2.669 1.00 0.17 N ATOM 1541 CA THR A 107 -11.455 1.583 3.648 1.00 0.21 C ATOM 1542 C THR A 107 -11.424 0.575 4.795 1.00 0.20 C ATOM 1543 O THR A 107 -11.264 -0.619 4.572 1.00 0.22 O ATOM 1544 CB THR A 107 -12.841 1.562 2.977 1.00 0.26 C ATOM 1545 OG1 THR A 107 -12.789 2.301 1.750 1.00 0.39 O ATOM 1546 CG2 THR A 107 -13.899 2.165 3.884 1.00 0.35 C ATOM 0 H THR A 107 -10.491 0.365 2.251 1.00 0.17 H new ATOM 0 HA THR A 107 -11.264 2.576 4.056 1.00 0.21 H new ATOM 0 HB THR A 107 -13.109 0.524 2.779 1.00 0.26 H new ATOM 0 HG1 THR A 107 -13.234 3.166 1.870 1.00 0.39 H new ATOM 0 HG21 THR A 107 -14.867 2.136 3.383 1.00 0.35 H new ATOM 0 HG22 THR A 107 -13.953 1.593 4.811 1.00 0.35 H new ATOM 0 HG23 THR A 107 -13.638 3.199 4.110 1.00 0.35 H new ATOM 1554 N PHE A 108 -11.543 1.058 6.020 1.00 0.28 N ATOM 1555 CA PHE A 108 -11.620 0.178 7.177 1.00 0.26 C ATOM 1556 C PHE A 108 -12.611 0.736 8.185 1.00 0.27 C ATOM 1557 O PHE A 108 -13.067 1.862 8.032 1.00 0.33 O ATOM 1558 CB PHE A 108 -10.254 0.012 7.837 1.00 0.29 C ATOM 1559 CG PHE A 108 -10.120 -1.260 8.619 1.00 0.29 C ATOM 1560 CD1 PHE A 108 -9.953 -1.228 9.992 1.00 0.34 C ATOM 1561 CD2 PHE A 108 -10.181 -2.488 7.981 1.00 0.31 C ATOM 1562 CE1 PHE A 108 -9.849 -2.397 10.718 1.00 0.39 C ATOM 1563 CE2 PHE A 108 -10.074 -3.661 8.701 1.00 0.36 C ATOM 1564 CZ PHE A 108 -9.909 -3.616 10.072 1.00 0.38 C ATOM 0 H PHE A 108 -11.588 2.053 6.240 1.00 0.28 H new ATOM 0 HA PHE A 108 -11.956 -0.801 6.836 1.00 0.26 H new ATOM 0 HB2 PHE A 108 -9.482 0.040 7.068 1.00 0.29 H new ATOM 0 HB3 PHE A 108 -10.074 0.858 8.500 1.00 0.29 H new ATOM 0 HD1 PHE A 108 -9.903 -0.277 10.502 1.00 0.34 H new ATOM 0 HD2 PHE A 108 -10.314 -2.528 6.910 1.00 0.31 H new ATOM 0 HE1 PHE A 108 -9.721 -2.359 11.790 1.00 0.39 H new ATOM 0 HE2 PHE A 108 -10.119 -4.613 8.193 1.00 0.36 H new ATOM 0 HZ PHE A 108 -9.827 -4.533 10.637 1.00 0.38 H new ATOM 1574 N LYS A 109 -12.918 -0.030 9.222 1.00 0.25 N ATOM 1575 CA LYS A 109 -13.779 0.447 10.296 1.00 0.26 C ATOM 1576 C LYS A 109 -13.080 1.578 11.049 1.00 0.27 C ATOM 1577 O LYS A 109 -13.719 2.489 11.576 1.00 0.33 O ATOM 1578 CB LYS A 109 -14.108 -0.723 11.237 1.00 0.30 C ATOM 1579 CG LYS A 109 -14.977 -0.371 12.438 1.00 0.68 C ATOM 1580 CD LYS A 109 -14.146 0.141 13.607 1.00 0.77 C ATOM 1581 CE LYS A 109 -13.268 -0.946 14.214 1.00 1.16 C ATOM 1582 NZ LYS A 109 -14.063 -2.099 14.707 1.00 1.94 N ATOM 0 H LYS A 109 -12.583 -0.986 9.343 1.00 0.25 H new ATOM 0 HA LYS A 109 -14.711 0.836 9.885 1.00 0.26 H new ATOM 0 HB2 LYS A 109 -14.611 -1.500 10.661 1.00 0.30 H new ATOM 0 HB3 LYS A 109 -13.173 -1.150 11.599 1.00 0.30 H new ATOM 0 HG2 LYS A 109 -15.705 0.387 12.150 1.00 0.68 H new ATOM 0 HG3 LYS A 109 -15.540 -1.251 12.750 1.00 0.68 H new ATOM 0 HD2 LYS A 109 -13.518 0.966 13.270 1.00 0.77 H new ATOM 0 HD3 LYS A 109 -14.810 0.539 14.374 1.00 0.77 H new ATOM 0 HE2 LYS A 109 -12.553 -1.292 13.467 1.00 1.16 H new ATOM 0 HE3 LYS A 109 -12.690 -0.526 15.038 1.00 1.16 H new ATOM 0 HZ1 LYS A 109 -13.472 -2.687 15.329 1.00 1.94 H new ATOM 0 HZ2 LYS A 109 -14.886 -1.751 15.239 1.00 1.94 H new ATOM 0 HZ3 LYS A 109 -14.388 -2.667 13.899 1.00 1.94 H new ATOM 1596 N SER A 110 -11.759 1.524 11.051 1.00 0.28 N ATOM 1597 CA SER A 110 -10.948 2.454 11.807 1.00 0.32 C ATOM 1598 C SER A 110 -10.484 3.592 10.909 1.00 0.41 C ATOM 1599 O SER A 110 -9.701 3.372 9.982 1.00 0.50 O ATOM 1600 CB SER A 110 -9.734 1.720 12.368 1.00 0.36 C ATOM 1601 OG SER A 110 -8.938 2.563 13.183 1.00 1.03 O ATOM 0 H SER A 110 -11.222 0.833 10.528 1.00 0.28 H new ATOM 0 HA SER A 110 -11.540 2.867 12.624 1.00 0.32 H new ATOM 0 HB2 SER A 110 -10.066 0.860 12.950 1.00 0.36 H new ATOM 0 HB3 SER A 110 -9.131 1.334 11.546 1.00 0.36 H new ATOM 0 HG SER A 110 -8.171 2.058 13.525 1.00 1.03 H new ATOM 1607 N PRO A 111 -10.965 4.817 11.164 1.00 0.48 N ATOM 1608 CA PRO A 111 -10.540 6.001 10.417 1.00 0.59 C ATOM 1609 C PRO A 111 -9.048 6.260 10.585 1.00 0.67 C ATOM 1610 O PRO A 111 -8.366 6.647 9.640 1.00 1.09 O ATOM 1611 CB PRO A 111 -11.355 7.143 11.038 1.00 0.73 C ATOM 1612 CG PRO A 111 -12.489 6.477 11.738 1.00 0.77 C ATOM 1613 CD PRO A 111 -11.968 5.145 12.190 1.00 0.56 C ATOM 0 HA PRO A 111 -10.705 5.891 9.345 1.00 0.59 H new ATOM 0 HB2 PRO A 111 -10.751 7.726 11.733 1.00 0.73 H new ATOM 0 HB3 PRO A 111 -11.714 7.832 10.273 1.00 0.73 H new ATOM 0 HG2 PRO A 111 -12.828 7.072 12.586 1.00 0.77 H new ATOM 0 HG3 PRO A 111 -13.343 6.357 11.071 1.00 0.77 H new ATOM 0 HD2 PRO A 111 -11.525 5.201 13.184 1.00 0.56 H new ATOM 0 HD3 PRO A 111 -12.759 4.396 12.235 1.00 0.56 H new ATOM 1621 N GLY A 112 -8.539 5.982 11.782 1.00 0.44 N ATOM 1622 CA GLY A 112 -7.145 6.253 12.079 1.00 0.49 C ATOM 1623 C GLY A 112 -6.222 5.295 11.365 1.00 0.46 C ATOM 1624 O GLY A 112 -5.057 5.607 11.110 1.00 0.63 O ATOM 0 H GLY A 112 -9.069 5.573 12.552 1.00 0.44 H new ATOM 0 HA2 GLY A 112 -6.904 7.275 11.788 1.00 0.49 H new ATOM 0 HA3 GLY A 112 -6.982 6.181 13.154 1.00 0.49 H new ATOM 1628 N GLU A 113 -6.757 4.126 11.031 1.00 0.32 N ATOM 1629 CA GLU A 113 -5.994 3.111 10.328 1.00 0.30 C ATOM 1630 C GLU A 113 -5.580 3.627 8.957 1.00 0.31 C ATOM 1631 O GLU A 113 -4.410 3.586 8.584 1.00 0.34 O ATOM 1632 CB GLU A 113 -6.842 1.846 10.158 1.00 0.28 C ATOM 1633 CG GLU A 113 -6.019 0.590 9.956 1.00 0.32 C ATOM 1634 CD GLU A 113 -4.977 0.411 11.040 1.00 0.70 C ATOM 1635 OE1 GLU A 113 -5.328 -0.090 12.125 1.00 1.14 O ATOM 1636 OE2 GLU A 113 -3.809 0.782 10.817 1.00 0.76 O ATOM 0 H GLU A 113 -7.720 3.861 11.238 1.00 0.32 H new ATOM 0 HA GLU A 113 -5.103 2.876 10.910 1.00 0.30 H new ATOM 0 HB2 GLU A 113 -7.473 1.720 11.038 1.00 0.28 H new ATOM 0 HB3 GLU A 113 -7.507 1.976 9.305 1.00 0.28 H new ATOM 0 HG2 GLU A 113 -6.679 -0.277 9.942 1.00 0.32 H new ATOM 0 HG3 GLU A 113 -5.527 0.632 8.984 1.00 0.32 H new ATOM 1643 N ARG A 114 -6.560 4.128 8.219 1.00 0.35 N ATOM 1644 CA ARG A 114 -6.318 4.646 6.880 1.00 0.43 C ATOM 1645 C ARG A 114 -5.543 5.947 6.918 1.00 0.38 C ATOM 1646 O ARG A 114 -4.698 6.186 6.062 1.00 0.40 O ATOM 1647 CB ARG A 114 -7.608 4.829 6.072 1.00 0.61 C ATOM 1648 CG ARG A 114 -8.870 5.049 6.878 1.00 0.87 C ATOM 1649 CD ARG A 114 -9.676 3.768 6.927 1.00 0.65 C ATOM 1650 NE ARG A 114 -8.880 2.656 7.407 1.00 1.24 N ATOM 1651 CZ ARG A 114 -8.152 1.837 6.619 1.00 2.02 C ATOM 1652 NH1 ARG A 114 -8.211 1.948 5.292 1.00 2.55 N ATOM 1653 NH2 ARG A 114 -7.391 0.895 7.163 1.00 2.83 N ATOM 0 H ARG A 114 -7.531 4.187 8.525 1.00 0.35 H new ATOM 0 HA ARG A 114 -5.717 3.891 6.373 1.00 0.43 H new ATOM 0 HB2 ARG A 114 -7.476 5.678 5.402 1.00 0.61 H new ATOM 0 HB3 ARG A 114 -7.749 3.948 5.446 1.00 0.61 H new ATOM 0 HG2 ARG A 114 -8.616 5.369 7.889 1.00 0.87 H new ATOM 0 HG3 ARG A 114 -9.464 5.846 6.431 1.00 0.87 H new ATOM 0 HD2 ARG A 114 -10.540 3.905 7.577 1.00 0.65 H new ATOM 0 HD3 ARG A 114 -10.059 3.540 5.932 1.00 0.65 H new ATOM 0 HE ARG A 114 -8.869 2.480 8.412 1.00 1.24 H new ATOM 0 HH11 ARG A 114 -8.809 2.656 4.866 1.00 2.55 H new ATOM 0 HH12 ARG A 114 -7.658 1.325 4.703 1.00 2.55 H new ATOM 0 HH21 ARG A 114 -7.356 0.790 8.177 1.00 2.83 H new ATOM 0 HH22 ARG A 114 -6.841 0.276 6.567 1.00 2.83 H new ATOM 1667 N GLU A 115 -5.826 6.783 7.905 1.00 0.42 N ATOM 1668 CA GLU A 115 -5.125 8.058 8.027 1.00 0.48 C ATOM 1669 C GLU A 115 -3.627 7.837 8.174 1.00 0.37 C ATOM 1670 O GLU A 115 -2.822 8.513 7.529 1.00 0.40 O ATOM 1671 CB GLU A 115 -5.658 8.874 9.203 1.00 0.64 C ATOM 1672 CG GLU A 115 -7.082 9.358 8.998 1.00 1.24 C ATOM 1673 CD GLU A 115 -7.532 10.344 10.056 1.00 1.38 C ATOM 1674 OE1 GLU A 115 -7.951 11.462 9.688 1.00 1.49 O ATOM 1675 OE2 GLU A 115 -7.480 10.012 11.259 1.00 1.59 O ATOM 0 H GLU A 115 -6.526 6.608 8.626 1.00 0.42 H new ATOM 0 HA GLU A 115 -5.307 8.623 7.113 1.00 0.48 H new ATOM 0 HB2 GLU A 115 -5.614 8.267 10.108 1.00 0.64 H new ATOM 0 HB3 GLU A 115 -5.008 9.734 9.364 1.00 0.64 H new ATOM 0 HG2 GLU A 115 -7.163 9.825 8.016 1.00 1.24 H new ATOM 0 HG3 GLU A 115 -7.755 8.500 8.999 1.00 1.24 H new ATOM 1682 N SER A 116 -3.262 6.874 9.007 1.00 0.33 N ATOM 1683 CA SER A 116 -1.864 6.514 9.189 1.00 0.36 C ATOM 1684 C SER A 116 -1.294 5.890 7.915 1.00 0.31 C ATOM 1685 O SER A 116 -0.138 6.114 7.573 1.00 0.38 O ATOM 1686 CB SER A 116 -1.722 5.549 10.364 1.00 0.45 C ATOM 1687 OG SER A 116 -2.275 6.109 11.547 1.00 1.15 O ATOM 0 H SER A 116 -3.915 6.327 9.568 1.00 0.33 H new ATOM 0 HA SER A 116 -1.298 7.420 9.405 1.00 0.36 H new ATOM 0 HB2 SER A 116 -2.224 4.610 10.132 1.00 0.45 H new ATOM 0 HB3 SER A 116 -0.669 5.316 10.524 1.00 0.45 H new ATOM 0 HG SER A 116 -3.251 6.021 11.525 1.00 1.15 H new ATOM 1693 N TRP A 117 -2.120 5.134 7.203 1.00 0.25 N ATOM 1694 CA TRP A 117 -1.683 4.458 5.986 1.00 0.24 C ATOM 1695 C TRP A 117 -1.395 5.488 4.895 1.00 0.21 C ATOM 1696 O TRP A 117 -0.358 5.441 4.232 1.00 0.23 O ATOM 1697 CB TRP A 117 -2.769 3.487 5.510 1.00 0.26 C ATOM 1698 CG TRP A 117 -2.231 2.308 4.759 1.00 0.23 C ATOM 1699 CD1 TRP A 117 -2.009 1.063 5.265 1.00 0.23 C ATOM 1700 CD2 TRP A 117 -1.844 2.254 3.380 1.00 0.22 C ATOM 1701 NE1 TRP A 117 -1.514 0.237 4.291 1.00 0.21 N ATOM 1702 CE2 TRP A 117 -1.395 0.944 3.128 1.00 0.21 C ATOM 1703 CE3 TRP A 117 -1.829 3.178 2.335 1.00 0.25 C ATOM 1704 CZ2 TRP A 117 -0.936 0.537 1.882 1.00 0.22 C ATOM 1705 CZ3 TRP A 117 -1.372 2.774 1.095 1.00 0.26 C ATOM 1706 CH2 TRP A 117 -0.931 1.464 0.878 1.00 0.24 C ATOM 0 H TRP A 117 -3.097 4.973 7.447 1.00 0.25 H new ATOM 0 HA TRP A 117 -0.772 3.898 6.198 1.00 0.24 H new ATOM 0 HB2 TRP A 117 -3.331 3.132 6.374 1.00 0.26 H new ATOM 0 HB3 TRP A 117 -3.471 4.024 4.872 1.00 0.26 H new ATOM 0 HD1 TRP A 117 -2.196 0.769 6.287 1.00 0.23 H new ATOM 0 HE1 TRP A 117 -1.273 -0.747 4.414 1.00 0.21 H new ATOM 0 HE3 TRP A 117 -2.169 4.191 2.492 1.00 0.25 H new ATOM 0 HZ2 TRP A 117 -0.596 -0.474 1.713 1.00 0.22 H new ATOM 0 HZ3 TRP A 117 -1.355 3.482 0.279 1.00 0.26 H new ATOM 0 HH2 TRP A 117 -0.580 1.180 -0.103 1.00 0.24 H new ATOM 1717 N GLN A 118 -2.325 6.427 4.752 1.00 0.20 N ATOM 1718 CA GLN A 118 -2.267 7.482 3.741 1.00 0.19 C ATOM 1719 C GLN A 118 -0.945 8.252 3.794 1.00 0.18 C ATOM 1720 O GLN A 118 -0.313 8.491 2.768 1.00 0.21 O ATOM 1721 CB GLN A 118 -3.459 8.427 3.956 1.00 0.19 C ATOM 1722 CG GLN A 118 -3.444 9.702 3.120 1.00 0.17 C ATOM 1723 CD GLN A 118 -3.475 9.464 1.626 1.00 0.33 C ATOM 1724 OE1 GLN A 118 -2.960 10.268 0.857 1.00 0.74 O ATOM 1725 NE2 GLN A 118 -4.085 8.368 1.201 1.00 0.19 N ATOM 0 H GLN A 118 -3.154 6.479 5.344 1.00 0.20 H new ATOM 0 HA GLN A 118 -2.322 7.029 2.751 1.00 0.19 H new ATOM 0 HB2 GLN A 118 -4.377 7.881 3.738 1.00 0.19 H new ATOM 0 HB3 GLN A 118 -3.495 8.704 5.010 1.00 0.19 H new ATOM 0 HG2 GLN A 118 -4.302 10.315 3.397 1.00 0.17 H new ATOM 0 HG3 GLN A 118 -2.550 10.275 3.367 1.00 0.17 H new ATOM 0 HE21 GLN A 118 -4.501 7.723 1.873 1.00 0.19 H new ATOM 0 HE22 GLN A 118 -4.138 8.169 0.202 1.00 0.19 H new ATOM 1734 N GLU A 119 -0.536 8.645 4.985 1.00 0.19 N ATOM 1735 CA GLU A 119 0.703 9.386 5.156 1.00 0.22 C ATOM 1736 C GLU A 119 1.930 8.479 5.024 1.00 0.20 C ATOM 1737 O GLU A 119 2.948 8.879 4.457 1.00 0.26 O ATOM 1738 CB GLU A 119 0.696 10.086 6.510 1.00 0.27 C ATOM 1739 CG GLU A 119 0.444 9.143 7.669 1.00 0.27 C ATOM 1740 CD GLU A 119 0.339 9.862 8.992 1.00 0.39 C ATOM 1741 OE1 GLU A 119 -0.764 10.330 9.336 1.00 0.47 O ATOM 1742 OE2 GLU A 119 1.362 9.970 9.696 1.00 0.47 O ATOM 0 H GLU A 119 -1.043 8.464 5.851 1.00 0.19 H new ATOM 0 HA GLU A 119 0.768 10.131 4.363 1.00 0.22 H new ATOM 0 HB2 GLU A 119 1.653 10.586 6.658 1.00 0.27 H new ATOM 0 HB3 GLU A 119 -0.071 10.861 6.507 1.00 0.27 H new ATOM 0 HG2 GLU A 119 -0.477 8.588 7.487 1.00 0.27 H new ATOM 0 HG3 GLU A 119 1.251 8.413 7.720 1.00 0.27 H new ATOM 1749 N GLN A 120 1.825 7.255 5.538 1.00 0.17 N ATOM 1750 CA GLN A 120 2.946 6.323 5.544 1.00 0.18 C ATOM 1751 C GLN A 120 3.386 5.958 4.136 1.00 0.17 C ATOM 1752 O GLN A 120 4.578 5.986 3.820 1.00 0.18 O ATOM 1753 CB GLN A 120 2.576 5.053 6.306 1.00 0.19 C ATOM 1754 CG GLN A 120 2.699 5.188 7.813 1.00 0.23 C ATOM 1755 CD GLN A 120 4.120 5.470 8.257 1.00 0.27 C ATOM 1756 OE1 GLN A 120 5.086 5.050 7.452 1.00 0.32 O flip ATOM 1757 NE2 GLN A 120 4.348 6.076 9.304 1.00 0.25 N flip ATOM 0 H GLN A 120 0.971 6.887 5.957 1.00 0.17 H new ATOM 0 HA GLN A 120 3.778 6.822 6.041 1.00 0.18 H new ATOM 0 HB2 GLN A 120 1.552 4.776 6.057 1.00 0.19 H new ATOM 0 HB3 GLN A 120 3.217 4.238 5.970 1.00 0.19 H new ATOM 0 HG2 GLN A 120 2.048 5.992 8.157 1.00 0.23 H new ATOM 0 HG3 GLN A 120 2.349 4.271 8.286 1.00 0.23 H new ATOM 0 HE21 GLN A 120 3.575 6.382 9.895 1.00 0.25 H new ATOM 0 HE22 GLN A 120 5.310 6.272 9.580 1.00 0.25 H new ATOM 1766 N ILE A 121 2.419 5.620 3.300 1.00 0.17 N ATOM 1767 CA ILE A 121 2.694 5.210 1.933 1.00 0.18 C ATOM 1768 C ILE A 121 3.404 6.318 1.158 1.00 0.21 C ATOM 1769 O ILE A 121 4.331 6.052 0.393 1.00 0.21 O ATOM 1770 CB ILE A 121 1.394 4.800 1.206 1.00 0.19 C ATOM 1771 CG1 ILE A 121 1.683 4.312 -0.215 1.00 0.19 C ATOM 1772 CG2 ILE A 121 0.400 5.950 1.176 1.00 0.22 C ATOM 1773 CD1 ILE A 121 2.485 3.032 -0.264 1.00 0.19 C ATOM 0 H ILE A 121 1.429 5.622 3.546 1.00 0.17 H new ATOM 0 HA ILE A 121 3.354 4.344 1.977 1.00 0.18 H new ATOM 0 HB ILE A 121 0.952 3.976 1.766 1.00 0.19 H new ATOM 0 HG12 ILE A 121 0.738 4.159 -0.737 1.00 0.19 H new ATOM 0 HG13 ILE A 121 2.223 5.090 -0.755 1.00 0.19 H new ATOM 0 HG21 ILE A 121 -0.506 5.634 0.659 1.00 0.22 H new ATOM 0 HG22 ILE A 121 0.152 6.243 2.196 1.00 0.22 H new ATOM 0 HG23 ILE A 121 0.840 6.798 0.652 1.00 0.22 H new ATOM 0 HD11 ILE A 121 2.652 2.747 -1.303 1.00 0.19 H new ATOM 0 HD12 ILE A 121 3.445 3.185 0.229 1.00 0.19 H new ATOM 0 HD13 ILE A 121 1.937 2.240 0.247 1.00 0.19 H new ATOM 1785 N GLN A 122 3.002 7.559 1.404 1.00 0.26 N ATOM 1786 CA GLN A 122 3.569 8.699 0.696 1.00 0.33 C ATOM 1787 C GLN A 122 5.041 8.865 1.038 1.00 0.27 C ATOM 1788 O GLN A 122 5.858 9.186 0.173 1.00 0.26 O ATOM 1789 CB GLN A 122 2.800 9.975 1.030 1.00 0.50 C ATOM 1790 CG GLN A 122 1.413 10.026 0.417 1.00 0.75 C ATOM 1791 CD GLN A 122 0.658 11.282 0.797 1.00 0.63 C ATOM 1792 OE1 GLN A 122 0.754 12.310 0.124 1.00 1.00 O ATOM 1793 NE2 GLN A 122 -0.105 11.206 1.871 1.00 0.39 N ATOM 0 H GLN A 122 2.286 7.801 2.088 1.00 0.26 H new ATOM 0 HA GLN A 122 3.482 8.512 -0.374 1.00 0.33 H new ATOM 0 HB2 GLN A 122 2.713 10.064 2.113 1.00 0.50 H new ATOM 0 HB3 GLN A 122 3.373 10.836 0.684 1.00 0.50 H new ATOM 0 HG2 GLN A 122 1.497 9.970 -0.668 1.00 0.75 H new ATOM 0 HG3 GLN A 122 0.845 9.153 0.738 1.00 0.75 H new ATOM 0 HE21 GLN A 122 -0.156 10.335 2.400 1.00 0.39 H new ATOM 0 HE22 GLN A 122 -0.644 12.018 2.172 1.00 0.39 H new ATOM 1802 N SER A 123 5.375 8.626 2.298 1.00 0.27 N ATOM 1803 CA SER A 123 6.754 8.710 2.755 1.00 0.26 C ATOM 1804 C SER A 123 7.606 7.621 2.100 1.00 0.20 C ATOM 1805 O SER A 123 8.764 7.849 1.752 1.00 0.23 O ATOM 1806 CB SER A 123 6.797 8.581 4.275 1.00 0.30 C ATOM 1807 OG SER A 123 5.906 9.497 4.889 1.00 1.03 O ATOM 0 H SER A 123 4.706 8.371 3.025 1.00 0.27 H new ATOM 0 HA SER A 123 7.165 9.678 2.467 1.00 0.26 H new ATOM 0 HB2 SER A 123 6.534 7.563 4.565 1.00 0.30 H new ATOM 0 HB3 SER A 123 7.812 8.762 4.630 1.00 0.30 H new ATOM 0 HG SER A 123 4.987 9.170 4.798 1.00 1.03 H new ATOM 1813 N LEU A 124 7.016 6.441 1.922 1.00 0.16 N ATOM 1814 CA LEU A 124 7.692 5.330 1.258 1.00 0.13 C ATOM 1815 C LEU A 124 7.925 5.676 -0.212 1.00 0.14 C ATOM 1816 O LEU A 124 9.006 5.440 -0.757 1.00 0.17 O ATOM 1817 CB LEU A 124 6.851 4.045 1.409 1.00 0.13 C ATOM 1818 CG LEU A 124 7.458 2.735 0.862 1.00 0.15 C ATOM 1819 CD1 LEU A 124 7.225 2.603 -0.632 1.00 0.18 C ATOM 1820 CD2 LEU A 124 8.947 2.652 1.166 1.00 0.18 C ATOM 0 H LEU A 124 6.067 6.230 2.230 1.00 0.16 H new ATOM 0 HA LEU A 124 8.662 5.155 1.722 1.00 0.13 H new ATOM 0 HB2 LEU A 124 6.640 3.902 2.469 1.00 0.13 H new ATOM 0 HB3 LEU A 124 5.894 4.207 0.912 1.00 0.13 H new ATOM 0 HG LEU A 124 6.954 1.909 1.364 1.00 0.15 H new ATOM 0 HD11 LEU A 124 7.664 1.671 -0.988 1.00 0.18 H new ATOM 0 HD12 LEU A 124 6.154 2.600 -0.834 1.00 0.18 H new ATOM 0 HD13 LEU A 124 7.690 3.443 -1.148 1.00 0.18 H new ATOM 0 HD21 LEU A 124 9.348 1.719 0.769 1.00 0.18 H new ATOM 0 HD22 LEU A 124 9.461 3.494 0.702 1.00 0.18 H new ATOM 0 HD23 LEU A 124 9.100 2.683 2.245 1.00 0.18 H new ATOM 1832 N MET A 125 6.910 6.255 -0.836 1.00 0.15 N ATOM 1833 CA MET A 125 6.994 6.666 -2.233 1.00 0.18 C ATOM 1834 C MET A 125 8.108 7.676 -2.437 1.00 0.20 C ATOM 1835 O MET A 125 8.968 7.503 -3.291 1.00 0.24 O ATOM 1836 CB MET A 125 5.678 7.295 -2.668 1.00 0.21 C ATOM 1837 CG MET A 125 4.500 6.350 -2.620 1.00 0.21 C ATOM 1838 SD MET A 125 2.935 7.227 -2.516 1.00 0.26 S ATOM 1839 CE MET A 125 3.089 8.357 -3.895 1.00 0.25 C ATOM 0 H MET A 125 6.012 6.453 -0.395 1.00 0.15 H new ATOM 0 HA MET A 125 7.203 5.779 -2.831 1.00 0.18 H new ATOM 0 HB2 MET A 125 5.469 8.153 -2.029 1.00 0.21 H new ATOM 0 HB3 MET A 125 5.786 7.673 -3.685 1.00 0.21 H new ATOM 0 HG2 MET A 125 4.504 5.721 -3.510 1.00 0.21 H new ATOM 0 HG3 MET A 125 4.602 5.687 -1.760 1.00 0.21 H new ATOM 0 HE1 MET A 125 2.123 8.819 -4.096 1.00 0.25 H new ATOM 0 HE2 MET A 125 3.818 9.130 -3.652 1.00 0.25 H new ATOM 0 HE3 MET A 125 3.421 7.811 -4.778 1.00 0.25 H new ATOM 1849 N LYS A 126 8.105 8.713 -1.618 1.00 0.20 N ATOM 1850 CA LYS A 126 9.079 9.791 -1.738 1.00 0.26 C ATOM 1851 C LYS A 126 10.476 9.317 -1.354 1.00 0.29 C ATOM 1852 O LYS A 126 11.472 9.962 -1.677 1.00 0.41 O ATOM 1853 CB LYS A 126 8.654 10.971 -0.868 1.00 0.31 C ATOM 1854 CG LYS A 126 7.353 11.614 -1.324 1.00 0.32 C ATOM 1855 CD LYS A 126 7.513 12.298 -2.672 1.00 0.46 C ATOM 1856 CE LYS A 126 6.217 12.946 -3.126 1.00 0.60 C ATOM 1857 NZ LYS A 126 5.123 11.952 -3.290 1.00 1.34 N ATOM 0 H LYS A 126 7.436 8.834 -0.858 1.00 0.20 H new ATOM 0 HA LYS A 126 9.114 10.110 -2.780 1.00 0.26 H new ATOM 0 HB2 LYS A 126 8.543 10.633 0.162 1.00 0.31 H new ATOM 0 HB3 LYS A 126 9.444 11.722 -0.874 1.00 0.31 H new ATOM 0 HG2 LYS A 126 6.574 10.854 -1.390 1.00 0.32 H new ATOM 0 HG3 LYS A 126 7.026 12.342 -0.582 1.00 0.32 H new ATOM 0 HD2 LYS A 126 8.295 13.054 -2.607 1.00 0.46 H new ATOM 0 HD3 LYS A 126 7.836 11.569 -3.415 1.00 0.46 H new ATOM 0 HE2 LYS A 126 5.915 13.700 -2.399 1.00 0.60 H new ATOM 0 HE3 LYS A 126 6.382 13.462 -4.072 1.00 0.60 H new ATOM 0 HZ1 LYS A 126 4.331 12.389 -3.804 1.00 1.34 H new ATOM 0 HZ2 LYS A 126 5.475 11.134 -3.827 1.00 1.34 H new ATOM 0 HZ3 LYS A 126 4.796 11.638 -2.354 1.00 1.34 H new ATOM 1871 N PHE A 127 10.536 8.203 -0.645 1.00 0.25 N ATOM 1872 CA PHE A 127 11.802 7.603 -0.261 1.00 0.30 C ATOM 1873 C PHE A 127 12.512 6.976 -1.460 1.00 0.35 C ATOM 1874 O PHE A 127 13.680 7.252 -1.720 1.00 0.43 O ATOM 1875 CB PHE A 127 11.571 6.537 0.808 1.00 0.28 C ATOM 1876 CG PHE A 127 12.841 5.933 1.330 1.00 0.33 C ATOM 1877 CD1 PHE A 127 13.167 4.624 1.029 1.00 0.39 C ATOM 1878 CD2 PHE A 127 13.714 6.678 2.110 1.00 0.41 C ATOM 1879 CE1 PHE A 127 14.337 4.067 1.493 1.00 0.45 C ATOM 1880 CE2 PHE A 127 14.888 6.122 2.580 1.00 0.47 C ATOM 1881 CZ PHE A 127 15.200 4.815 2.271 1.00 0.47 C ATOM 0 H PHE A 127 9.715 7.692 -0.321 1.00 0.25 H new ATOM 0 HA PHE A 127 12.437 8.395 0.136 1.00 0.30 H new ATOM 0 HB2 PHE A 127 11.019 6.979 1.638 1.00 0.28 H new ATOM 0 HB3 PHE A 127 10.945 5.747 0.394 1.00 0.28 H new ATOM 0 HD1 PHE A 127 12.497 4.032 0.423 1.00 0.39 H new ATOM 0 HD2 PHE A 127 13.473 7.703 2.352 1.00 0.41 H new ATOM 0 HE1 PHE A 127 14.581 3.044 1.249 1.00 0.45 H new ATOM 0 HE2 PHE A 127 15.560 6.710 3.188 1.00 0.47 H new ATOM 0 HZ PHE A 127 16.117 4.377 2.636 1.00 0.47 H new ATOM 1891 N MET A 128 11.799 6.126 -2.185 1.00 0.36 N ATOM 1892 CA MET A 128 12.412 5.334 -3.247 1.00 0.46 C ATOM 1893 C MET A 128 12.137 5.923 -4.628 1.00 0.47 C ATOM 1894 O MET A 128 12.879 5.673 -5.580 1.00 0.57 O ATOM 1895 CB MET A 128 11.929 3.882 -3.157 1.00 0.54 C ATOM 1896 CG MET A 128 10.415 3.721 -3.201 1.00 0.53 C ATOM 1897 SD MET A 128 9.746 3.761 -4.878 1.00 1.04 S ATOM 1898 CE MET A 128 10.595 2.370 -5.622 1.00 1.63 C ATOM 0 H MET A 128 10.799 5.966 -2.060 1.00 0.36 H new ATOM 0 HA MET A 128 13.493 5.356 -3.107 1.00 0.46 H new ATOM 0 HB2 MET A 128 12.367 3.314 -3.978 1.00 0.54 H new ATOM 0 HB3 MET A 128 12.302 3.444 -2.231 1.00 0.54 H new ATOM 0 HG2 MET A 128 10.142 2.777 -2.730 1.00 0.53 H new ATOM 0 HG3 MET A 128 9.954 4.515 -2.613 1.00 0.53 H new ATOM 0 HE1 MET A 128 9.939 1.889 -6.347 1.00 1.63 H new ATOM 0 HE2 MET A 128 11.497 2.720 -6.125 1.00 1.63 H new ATOM 0 HE3 MET A 128 10.867 1.653 -4.847 1.00 1.63 H new