USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 749 hydrogens (21 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 7 LYS NZ :NH3+ -103:sc= 1.42 (180deg=-0.329) USER MOD Set 1.2: A 74 ASN : amide:sc= 1.72 K(o=3.1,f=-4.5!) USER MOD Set 2.1: A 66 THR OG1 : rot 115:sc= 0.875 USER MOD Set 2.2: A 68 LYS NZ :NH3+ -157:sc= 1.01 (180deg=-0.0579) USER MOD Set 3.1: A 64 HIS : no HD1:sc= -0.466 X(o=-0.46,f=-0.64) USER MOD Set 3.2: A 79 THR OG1 : rot 128:sc= 0.00326 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.154 (180deg=-0.788) USER MOD Single : A 1 MET N :NH3+ 138:sc= -0.0171 (180deg=-0.0777) USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= 0.294 (180deg=0.208) USER MOD Single : A 13 TYR OH : rot 130:sc= -0.0444 USER MOD Single : A 15 MET CE :methyl -132:sc= -1.76 (180deg=-4.14!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 32 THR OG1 : rot -160:sc= -0.763 USER MOD Single : A 41 ASN : amide:sc= -0.793 K(o=-0.79,f=-3.6!) USER MOD Single : A 43 MET CE :methyl 178:sc= 0 (180deg=-0.00656) USER MOD Single : A 44 ASN : amide:sc= -1.56! C(o=-1.6!,f=-5.3!) USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= 0.646 (180deg=0.0378) USER MOD Single : A 49 MET CE :methyl 136:sc= -0.351 (180deg=-1.19) USER MOD Single : A 51 TYR OH : rot 118:sc= 0.3 USER MOD Single : A 56 MET CE :methyl 163:sc= -0.748 (180deg=-1.2) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -163:sc= 0.616 (180deg=-0.00437) USER MOD Single : A 77 SER OG : rot -5:sc= 0.188 USER MOD Single : A 82 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.15) USER MOD Single : A 84 LYS NZ :NH3+ 179:sc= 0.267 (180deg=0.265) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 101 PNS O33 : rot -110:sc= -0.0132 USER MOD Single : A 101 PNS S44 : rot 131:sc= -2.08! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.585 6.862 -5.883 1.00 0.00 N ATOM 2 CA MET A 1 12.735 5.670 -5.642 1.00 0.00 C ATOM 3 C MET A 1 13.191 4.966 -4.356 1.00 0.00 C ATOM 4 O MET A 1 14.386 4.685 -4.184 1.00 0.00 O ATOM 5 CB MET A 1 12.740 4.714 -6.881 1.00 0.00 C ATOM 6 CG MET A 1 14.108 4.134 -7.263 1.00 0.00 C ATOM 7 SD MET A 1 14.135 3.375 -8.909 1.00 0.00 S ATOM 8 CE MET A 1 13.844 4.805 -9.959 1.00 0.00 C ATOM 0 H1 MET A 1 13.823 6.920 -6.894 1.00 0.00 H new ATOM 0 H2 MET A 1 13.069 7.719 -5.599 1.00 0.00 H new ATOM 0 H3 MET A 1 14.460 6.783 -5.326 1.00 0.00 H new ATOM 0 HA MET A 1 11.701 5.985 -5.504 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.057 3.888 -6.683 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.343 5.257 -7.739 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.854 4.928 -7.225 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.398 3.388 -6.523 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.226 4.605 -10.960 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.774 5.006 -10.012 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.356 5.673 -9.542 1.00 0.00 H new ATOM 20 N ASP A 2 12.243 4.719 -3.429 1.00 0.00 N ATOM 21 CA ASP A 2 12.534 4.136 -2.104 1.00 0.00 C ATOM 22 C ASP A 2 11.450 3.132 -1.745 1.00 0.00 C ATOM 23 O ASP A 2 10.616 3.399 -0.885 1.00 0.00 O ATOM 24 CB ASP A 2 12.648 5.240 -1.004 1.00 0.00 C ATOM 25 CG ASP A 2 13.772 6.257 -1.275 1.00 0.00 C ATOM 26 OD1 ASP A 2 14.961 5.907 -1.093 1.00 0.00 O ATOM 27 OD2 ASP A 2 13.479 7.400 -1.701 1.00 0.00 O ATOM 0 H ASP A 2 11.254 4.918 -3.578 1.00 0.00 H new ATOM 0 HA ASP A 2 13.497 3.628 -2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.698 5.770 -0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.823 4.765 -0.039 1.00 0.00 H new ATOM 32 N GLY A 3 11.471 1.976 -2.428 1.00 0.00 N ATOM 33 CA GLY A 3 10.500 0.902 -2.210 1.00 0.00 C ATOM 34 C GLY A 3 10.371 0.477 -0.740 1.00 0.00 C ATOM 35 O GLY A 3 9.276 0.160 -0.280 1.00 0.00 O ATOM 0 H GLY A 3 12.164 1.764 -3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.525 1.227 -2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.789 0.036 -2.806 1.00 0.00 H new ATOM 39 N GLU A 4 11.504 0.521 -0.010 1.00 0.00 N ATOM 40 CA GLU A 4 11.583 0.177 1.426 1.00 0.00 C ATOM 41 C GLU A 4 10.803 1.166 2.275 1.00 0.00 C ATOM 42 O GLU A 4 10.050 0.765 3.178 1.00 0.00 O ATOM 43 CB GLU A 4 13.064 0.142 1.892 1.00 0.00 C ATOM 44 CG GLU A 4 14.020 -0.635 0.967 1.00 0.00 C ATOM 45 CD GLU A 4 13.551 -2.073 0.707 1.00 0.00 C ATOM 46 OE1 GLU A 4 13.601 -2.911 1.634 1.00 0.00 O ATOM 47 OE2 GLU A 4 13.099 -2.373 -0.421 1.00 0.00 O ATOM 0 H GLU A 4 12.402 0.800 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 4 11.140 -0.810 1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.424 1.167 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.106 -0.301 2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.108 -0.108 0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.014 -0.656 1.413 1.00 0.00 H new ATOM 54 N GLU A 5 11.003 2.464 1.998 1.00 0.00 N ATOM 55 CA GLU A 5 10.282 3.520 2.720 1.00 0.00 C ATOM 56 C GLU A 5 8.782 3.419 2.411 1.00 0.00 C ATOM 57 O GLU A 5 7.965 3.459 3.316 1.00 0.00 O ATOM 58 CB GLU A 5 10.771 4.927 2.357 1.00 0.00 C ATOM 59 CG GLU A 5 10.265 6.025 3.315 1.00 0.00 C ATOM 60 CD GLU A 5 10.582 7.439 2.824 1.00 0.00 C ATOM 61 OE1 GLU A 5 9.808 7.969 1.991 1.00 0.00 O ATOM 62 OE2 GLU A 5 11.593 8.036 3.262 1.00 0.00 O ATOM 0 H GLU A 5 11.651 2.803 1.287 1.00 0.00 H new ATOM 0 HA GLU A 5 10.473 3.368 3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.861 4.934 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.448 5.164 1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.187 5.923 3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.714 5.878 4.297 1.00 0.00 H new ATOM 69 N VAL A 6 8.454 3.273 1.116 1.00 0.00 N ATOM 70 CA VAL A 6 7.067 3.109 0.621 1.00 0.00 C ATOM 71 C VAL A 6 6.334 1.994 1.396 1.00 0.00 C ATOM 72 O VAL A 6 5.191 2.180 1.829 1.00 0.00 O ATOM 73 CB VAL A 6 7.060 2.808 -0.929 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.648 2.466 -1.480 1.00 0.00 C ATOM 75 CG2 VAL A 6 7.687 3.986 -1.715 1.00 0.00 C ATOM 0 H VAL A 6 9.150 3.265 0.370 1.00 0.00 H new ATOM 0 HA VAL A 6 6.535 4.045 0.791 1.00 0.00 H new ATOM 0 HB VAL A 6 7.669 1.916 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.713 2.270 -2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.263 1.582 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.976 3.306 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.673 3.760 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.113 4.894 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.716 4.134 -1.389 1.00 0.00 H new ATOM 85 N LYS A 7 7.033 0.871 1.618 1.00 0.00 N ATOM 86 CA LYS A 7 6.501 -0.279 2.367 1.00 0.00 C ATOM 87 C LYS A 7 6.223 0.064 3.845 1.00 0.00 C ATOM 88 O LYS A 7 5.148 -0.258 4.354 1.00 0.00 O ATOM 89 CB LYS A 7 7.470 -1.492 2.245 1.00 0.00 C ATOM 90 CG LYS A 7 7.464 -2.150 0.845 1.00 0.00 C ATOM 91 CD LYS A 7 8.431 -3.346 0.707 1.00 0.00 C ATOM 92 CE LYS A 7 9.890 -2.948 0.916 1.00 0.00 C ATOM 93 NZ LYS A 7 10.831 -4.080 0.743 1.00 0.00 N ATOM 0 H LYS A 7 7.986 0.734 1.282 1.00 0.00 H new ATOM 0 HA LYS A 7 5.542 -0.547 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.483 -1.163 2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.198 -2.240 2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.452 -2.486 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.725 -1.398 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.160 -4.113 1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.317 -3.788 -0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.149 -2.157 0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.008 -2.535 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.144 -4.417 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.354 -4.854 0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.656 -3.765 0.194 1.00 0.00 H new ATOM 107 N GLU A 8 7.181 0.725 4.531 1.00 0.00 N ATOM 108 CA GLU A 8 7.017 1.079 5.969 1.00 0.00 C ATOM 109 C GLU A 8 5.995 2.230 6.167 1.00 0.00 C ATOM 110 O GLU A 8 5.404 2.345 7.241 1.00 0.00 O ATOM 111 CB GLU A 8 8.368 1.428 6.641 1.00 0.00 C ATOM 112 CG GLU A 8 9.001 2.731 6.161 1.00 0.00 C ATOM 113 CD GLU A 8 10.304 3.071 6.891 1.00 0.00 C ATOM 114 OE1 GLU A 8 11.373 2.549 6.508 1.00 0.00 O ATOM 115 OE2 GLU A 8 10.265 3.846 7.871 1.00 0.00 O ATOM 0 H GLU A 8 8.067 1.024 4.124 1.00 0.00 H new ATOM 0 HA GLU A 8 6.622 0.190 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.217 1.489 7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.069 0.612 6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.199 2.659 5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.290 3.546 6.300 1.00 0.00 H new ATOM 122 N LYS A 9 5.807 3.069 5.132 1.00 0.00 N ATOM 123 CA LYS A 9 4.789 4.143 5.116 1.00 0.00 C ATOM 124 C LYS A 9 3.387 3.517 5.121 1.00 0.00 C ATOM 125 O LYS A 9 2.586 3.731 6.039 1.00 0.00 O ATOM 126 CB LYS A 9 4.913 5.005 3.826 1.00 0.00 C ATOM 127 CG LYS A 9 6.165 5.889 3.674 1.00 0.00 C ATOM 128 CD LYS A 9 6.140 7.156 4.551 1.00 0.00 C ATOM 129 CE LYS A 9 7.160 8.206 4.084 1.00 0.00 C ATOM 130 NZ LYS A 9 7.030 9.490 4.804 1.00 0.00 N ATOM 0 H LYS A 9 6.360 3.023 4.276 1.00 0.00 H new ATOM 0 HA LYS A 9 4.946 4.768 5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.870 4.334 2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.037 5.651 3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.047 5.301 3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.266 6.183 2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.140 7.590 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.349 6.884 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.168 7.815 4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.033 8.379 3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.538 10.233 4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.025 9.745 4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.436 9.396 5.757 1.00 0.00 H new ATOM 144 N ILE A 10 3.121 2.743 4.053 1.00 0.00 N ATOM 145 CA ILE A 10 1.807 2.143 3.782 1.00 0.00 C ATOM 146 C ILE A 10 1.424 1.169 4.899 1.00 0.00 C ATOM 147 O ILE A 10 0.290 1.224 5.387 1.00 0.00 O ATOM 148 CB ILE A 10 1.799 1.429 2.380 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.128 2.465 1.261 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.453 0.710 2.090 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.338 1.882 -0.124 1.00 0.00 C ATOM 0 H ILE A 10 3.822 2.516 3.348 1.00 0.00 H new ATOM 0 HA ILE A 10 1.062 2.938 3.755 1.00 0.00 H new ATOM 0 HB ILE A 10 2.567 0.656 2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.317 3.191 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.027 3.010 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.499 0.233 1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.273 -0.046 2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.358 1.438 2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.561 2.685 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.171 1.179 -0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.434 1.363 -0.441 1.00 0.00 H new ATOM 163 N ARG A 11 2.406 0.328 5.339 1.00 0.00 N ATOM 164 CA ARG A 11 2.190 -0.661 6.418 1.00 0.00 C ATOM 165 C ARG A 11 1.808 0.050 7.706 1.00 0.00 C ATOM 166 O ARG A 11 0.944 -0.428 8.433 1.00 0.00 O ATOM 167 CB ARG A 11 3.422 -1.603 6.639 1.00 0.00 C ATOM 168 CG ARG A 11 4.619 -1.089 7.495 1.00 0.00 C ATOM 169 CD ARG A 11 4.610 -1.549 8.988 1.00 0.00 C ATOM 170 NE ARG A 11 5.822 -2.317 9.363 1.00 0.00 N ATOM 171 CZ ARG A 11 7.049 -1.798 9.574 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.258 -0.489 9.458 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.040 -2.605 9.928 1.00 0.00 N ATOM 0 H ARG A 11 3.352 0.322 4.957 1.00 0.00 H new ATOM 0 HA ARG A 11 1.369 -1.306 6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.057 -2.520 7.100 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.811 -1.873 5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.547 -1.425 7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.625 0.001 7.466 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.527 -0.674 9.632 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.727 -2.162 9.169 1.00 0.00 H new ATOM 0 HE ARG A 11 5.719 -3.326 9.471 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.487 0.130 9.208 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.189 -0.105 9.619 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.869 -3.605 10.037 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.973 -2.226 10.091 1.00 0.00 H new ATOM 187 N ARG A 12 2.434 1.221 7.951 1.00 0.00 N ATOM 188 CA ARG A 12 2.190 2.009 9.159 1.00 0.00 C ATOM 189 C ARG A 12 0.742 2.515 9.161 1.00 0.00 C ATOM 190 O ARG A 12 0.078 2.480 10.190 1.00 0.00 O ATOM 191 CB ARG A 12 3.204 3.207 9.291 1.00 0.00 C ATOM 192 CG ARG A 12 4.078 3.183 10.563 1.00 0.00 C ATOM 193 CD ARG A 12 5.120 2.042 10.577 1.00 0.00 C ATOM 194 NE ARG A 12 6.410 2.465 9.980 1.00 0.00 N ATOM 195 CZ ARG A 12 7.604 2.471 10.622 1.00 0.00 C ATOM 196 NH1 ARG A 12 7.695 2.084 11.889 1.00 0.00 N ATOM 197 NH2 ARG A 12 8.698 2.869 9.998 1.00 0.00 N ATOM 0 H ARG A 12 3.116 1.637 7.317 1.00 0.00 H new ATOM 0 HA ARG A 12 2.346 1.365 10.024 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.858 3.208 8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.644 4.142 9.271 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.596 4.138 10.656 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.432 3.085 11.436 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.285 1.713 11.603 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.729 1.186 10.027 1.00 0.00 H new ATOM 0 HE ARG A 12 6.398 2.776 9.009 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.861 1.778 12.390 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.599 2.093 12.361 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.648 3.175 9.026 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.593 2.871 10.488 1.00 0.00 H new ATOM 211 N TYR A 13 0.257 2.942 7.989 1.00 0.00 N ATOM 212 CA TYR A 13 -1.116 3.451 7.832 1.00 0.00 C ATOM 213 C TYR A 13 -2.147 2.314 7.968 1.00 0.00 C ATOM 214 O TYR A 13 -3.290 2.545 8.398 1.00 0.00 O ATOM 215 CB TYR A 13 -1.265 4.151 6.471 1.00 0.00 C ATOM 216 CG TYR A 13 -2.577 4.924 6.308 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.848 6.049 7.094 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.538 4.539 5.377 1.00 0.00 C ATOM 219 CE1 TYR A 13 -4.020 6.759 6.945 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.703 5.242 5.231 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.948 6.350 6.012 1.00 0.00 C ATOM 222 OH TYR A 13 -6.133 7.040 5.865 1.00 0.00 O ATOM 0 H TYR A 13 0.800 2.946 7.125 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.307 4.173 8.626 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.431 4.839 6.335 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.195 3.404 5.680 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.126 6.367 7.831 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.361 3.671 4.760 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.210 7.630 7.555 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.433 4.927 4.500 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.277 7.245 4.918 1.00 0.00 H new ATOM 232 N ILE A 14 -1.744 1.087 7.583 1.00 0.00 N ATOM 233 CA ILE A 14 -2.563 -0.116 7.792 1.00 0.00 C ATOM 234 C ILE A 14 -2.719 -0.369 9.307 1.00 0.00 C ATOM 235 O ILE A 14 -3.791 -0.756 9.774 1.00 0.00 O ATOM 236 CB ILE A 14 -1.941 -1.368 7.067 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.791 -1.093 5.535 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.772 -2.660 7.313 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.820 -2.011 4.820 1.00 0.00 C ATOM 0 H ILE A 14 -0.851 0.906 7.124 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.548 0.047 7.354 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.953 -1.535 7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.770 -1.185 5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.466 -0.062 5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.305 -3.497 6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.809 -2.871 8.382 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.785 -2.518 6.936 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.781 -1.747 3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.172 -1.903 5.258 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.152 -3.044 4.924 1.00 0.00 H new ATOM 251 N MET A 15 -1.641 -0.101 10.058 1.00 0.00 N ATOM 252 CA MET A 15 -1.610 -0.234 11.529 1.00 0.00 C ATOM 253 C MET A 15 -2.476 0.850 12.222 1.00 0.00 C ATOM 254 O MET A 15 -3.250 0.540 13.142 1.00 0.00 O ATOM 255 CB MET A 15 -0.136 -0.147 12.021 1.00 0.00 C ATOM 256 CG MET A 15 0.795 -1.167 11.357 1.00 0.00 C ATOM 257 SD MET A 15 2.545 -0.785 11.551 1.00 0.00 S ATOM 258 CE MET A 15 2.807 -1.187 13.263 1.00 0.00 C ATOM 0 H MET A 15 -0.757 0.217 9.662 1.00 0.00 H new ATOM 0 HA MET A 15 -2.032 -1.203 11.796 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.243 0.857 11.829 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.113 -0.296 13.101 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.599 -2.153 11.778 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.560 -1.222 10.294 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.343 -0.373 13.750 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.845 -1.333 13.754 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.394 -2.103 13.336 1.00 0.00 H new ATOM 268 N GLU A 16 -2.335 2.108 11.753 1.00 0.00 N ATOM 269 CA GLU A 16 -3.015 3.285 12.336 1.00 0.00 C ATOM 270 C GLU A 16 -4.520 3.249 12.014 1.00 0.00 C ATOM 271 O GLU A 16 -5.361 3.029 12.888 1.00 0.00 O ATOM 272 CB GLU A 16 -2.407 4.619 11.785 1.00 0.00 C ATOM 273 CG GLU A 16 -0.894 4.810 11.995 1.00 0.00 C ATOM 274 CD GLU A 16 -0.468 4.800 13.473 1.00 0.00 C ATOM 275 OE1 GLU A 16 -0.621 5.843 14.144 1.00 0.00 O ATOM 276 OE2 GLU A 16 0.028 3.762 13.969 1.00 0.00 O ATOM 0 H GLU A 16 -1.743 2.337 10.955 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.868 3.248 13.415 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.615 4.676 10.717 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.927 5.453 12.256 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.360 4.020 11.467 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.590 5.755 11.545 1.00 0.00 H new ATOM 283 N ASP A 17 -4.827 3.447 10.728 1.00 0.00 N ATOM 284 CA ASP A 17 -6.188 3.697 10.244 1.00 0.00 C ATOM 285 C ASP A 17 -6.975 2.398 10.009 1.00 0.00 C ATOM 286 O ASP A 17 -8.050 2.211 10.593 1.00 0.00 O ATOM 287 CB ASP A 17 -6.105 4.537 8.944 1.00 0.00 C ATOM 288 CG ASP A 17 -7.462 4.773 8.245 1.00 0.00 C ATOM 289 OD1 ASP A 17 -8.387 5.328 8.879 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.608 4.434 7.058 1.00 0.00 O ATOM 0 H ASP A 17 -4.128 3.438 9.985 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.733 4.247 11.011 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.659 5.503 9.179 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.433 4.037 8.246 1.00 0.00 H new ATOM 295 N LEU A 18 -6.426 1.501 9.162 1.00 0.00 N ATOM 296 CA LEU A 18 -7.169 0.323 8.652 1.00 0.00 C ATOM 297 C LEU A 18 -7.495 -0.695 9.769 1.00 0.00 C ATOM 298 O LEU A 18 -8.626 -1.187 9.857 1.00 0.00 O ATOM 299 CB LEU A 18 -6.386 -0.364 7.499 1.00 0.00 C ATOM 300 CG LEU A 18 -5.984 0.546 6.290 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.348 -0.284 5.163 1.00 0.00 C ATOM 302 CD2 LEU A 18 -7.171 1.381 5.767 1.00 0.00 C ATOM 0 H LEU A 18 -5.469 1.568 8.815 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.119 0.690 8.264 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.478 -0.800 7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.990 -1.188 7.120 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.238 1.252 6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.078 0.372 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.454 -0.782 5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.061 -1.032 4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.842 1.996 4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.968 0.714 5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.543 2.024 6.565 1.00 0.00 H new ATOM 314 N ILE A 19 -6.503 -1.007 10.613 1.00 0.00 N ATOM 315 CA ILE A 19 -6.679 -1.950 11.733 1.00 0.00 C ATOM 316 C ILE A 19 -6.978 -1.169 13.018 1.00 0.00 C ATOM 317 O ILE A 19 -8.151 -0.927 13.330 1.00 0.00 O ATOM 318 CB ILE A 19 -5.425 -2.907 11.867 1.00 0.00 C ATOM 319 CG1 ILE A 19 -5.166 -3.648 10.512 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.571 -3.920 13.034 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.917 -4.519 10.493 1.00 0.00 C ATOM 0 H ILE A 19 -5.562 -0.619 10.543 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.533 -2.599 11.538 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.563 -2.283 12.104 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.031 -4.271 10.283 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.088 -2.906 9.717 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.684 -4.551 13.081 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.681 -3.379 13.974 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.451 -4.542 12.868 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.818 -4.992 9.516 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.040 -3.902 10.687 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.997 -5.287 11.262 1.00 0.00 H new ATOM 333 N GLY A 20 -5.930 -0.752 13.753 1.00 0.00 N ATOM 334 CA GLY A 20 -6.108 -0.039 15.016 1.00 0.00 C ATOM 335 C GLY A 20 -5.487 -0.778 16.210 1.00 0.00 C ATOM 336 O GLY A 20 -4.403 -0.402 16.659 1.00 0.00 O ATOM 0 H GLY A 20 -4.956 -0.900 13.488 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.660 0.951 14.935 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.173 0.107 15.199 1.00 0.00 H new ATOM 340 N PRO A 21 -6.133 -1.872 16.743 1.00 0.00 N ATOM 341 CA PRO A 21 -5.701 -2.518 17.995 1.00 0.00 C ATOM 342 C PRO A 21 -4.566 -3.560 17.786 1.00 0.00 C ATOM 343 O PRO A 21 -3.461 -3.372 18.302 1.00 0.00 O ATOM 344 CB PRO A 21 -7.016 -3.148 18.519 1.00 0.00 C ATOM 345 CG PRO A 21 -7.862 -3.416 17.297 1.00 0.00 C ATOM 346 CD PRO A 21 -7.298 -2.568 16.155 1.00 0.00 C ATOM 0 HA PRO A 21 -5.251 -1.820 18.701 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.817 -4.070 19.066 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.526 -2.473 19.207 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.837 -4.474 17.038 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.904 -3.159 17.488 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.003 -3.189 15.309 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.038 -1.858 15.786 1.00 0.00 H new ATOM 354 N SER A 22 -4.834 -4.649 17.025 1.00 0.00 N ATOM 355 CA SER A 22 -3.843 -5.717 16.762 1.00 0.00 C ATOM 356 C SER A 22 -2.884 -5.281 15.641 1.00 0.00 C ATOM 357 O SER A 22 -2.956 -5.758 14.496 1.00 0.00 O ATOM 358 CB SER A 22 -4.577 -7.031 16.419 1.00 0.00 C ATOM 359 OG SER A 22 -3.676 -8.117 16.283 1.00 0.00 O ATOM 0 H SER A 22 -5.737 -4.810 16.580 1.00 0.00 H new ATOM 0 HA SER A 22 -3.242 -5.894 17.654 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.303 -7.257 17.200 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.136 -6.904 15.492 1.00 0.00 H new ATOM 0 HG SER A 22 -4.176 -8.932 16.068 1.00 0.00 H new ATOM 365 N ALA A 23 -2.003 -4.338 15.989 1.00 0.00 N ATOM 366 CA ALA A 23 -1.075 -3.726 15.052 1.00 0.00 C ATOM 367 C ALA A 23 0.185 -3.283 15.796 1.00 0.00 C ATOM 368 O ALA A 23 0.459 -2.090 15.936 1.00 0.00 O ATOM 369 CB ALA A 23 -1.753 -2.556 14.322 1.00 0.00 C ATOM 0 H ALA A 23 -1.919 -3.979 16.940 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.780 -4.453 14.295 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.048 -2.106 13.623 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.622 -2.923 13.775 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.071 -1.809 15.049 1.00 0.00 H new ATOM 375 N LYS A 24 0.915 -4.273 16.335 1.00 0.00 N ATOM 376 CA LYS A 24 2.277 -4.061 16.848 1.00 0.00 C ATOM 377 C LYS A 24 3.233 -3.734 15.691 1.00 0.00 C ATOM 378 O LYS A 24 2.912 -4.016 14.527 1.00 0.00 O ATOM 379 CB LYS A 24 2.817 -5.297 17.645 1.00 0.00 C ATOM 380 CG LYS A 24 2.438 -5.347 19.140 1.00 0.00 C ATOM 381 CD LYS A 24 0.978 -5.786 19.419 1.00 0.00 C ATOM 382 CE LYS A 24 0.718 -7.259 19.047 1.00 0.00 C ATOM 383 NZ LYS A 24 -0.585 -7.753 19.548 1.00 0.00 N ATOM 0 H LYS A 24 0.582 -5.233 16.427 1.00 0.00 H new ATOM 0 HA LYS A 24 2.229 -3.221 17.540 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.449 -6.204 17.165 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.904 -5.312 17.564 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.114 -6.033 19.650 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.597 -4.360 19.575 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.754 -5.637 20.475 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.297 -5.148 18.856 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.750 -7.367 17.963 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.517 -7.879 19.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.709 -8.748 19.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.610 -7.677 20.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.353 -7.182 19.141 1.00 0.00 H new ATOM 397 N GLU A 25 4.434 -3.208 16.043 1.00 0.00 N ATOM 398 CA GLU A 25 5.459 -2.767 15.068 1.00 0.00 C ATOM 399 C GLU A 25 5.851 -3.883 14.089 1.00 0.00 C ATOM 400 O GLU A 25 6.340 -3.594 12.991 1.00 0.00 O ATOM 401 CB GLU A 25 6.723 -2.221 15.791 1.00 0.00 C ATOM 402 CG GLU A 25 6.454 -1.026 16.722 1.00 0.00 C ATOM 403 CD GLU A 25 5.805 0.160 15.990 1.00 0.00 C ATOM 404 OE1 GLU A 25 6.520 0.892 15.268 1.00 0.00 O ATOM 405 OE2 GLU A 25 4.576 0.367 16.127 1.00 0.00 O ATOM 0 H GLU A 25 4.717 -3.078 17.014 1.00 0.00 H new ATOM 0 HA GLU A 25 5.009 -1.962 14.488 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.170 -3.027 16.373 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.456 -1.924 15.041 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.804 -1.344 17.537 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.393 -0.701 17.171 1.00 0.00 H new ATOM 412 N ASP A 26 5.604 -5.151 14.477 1.00 0.00 N ATOM 413 CA ASP A 26 5.976 -6.307 13.646 1.00 0.00 C ATOM 414 C ASP A 26 4.755 -7.152 13.213 1.00 0.00 C ATOM 415 O ASP A 26 4.918 -8.190 12.560 1.00 0.00 O ATOM 416 CB ASP A 26 7.014 -7.168 14.418 1.00 0.00 C ATOM 417 CG ASP A 26 7.688 -8.264 13.565 1.00 0.00 C ATOM 418 OD1 ASP A 26 8.529 -7.926 12.698 1.00 0.00 O ATOM 419 OD2 ASP A 26 7.408 -9.471 13.777 1.00 0.00 O ATOM 0 H ASP A 26 5.150 -5.396 15.357 1.00 0.00 H new ATOM 0 HA ASP A 26 6.418 -5.935 12.722 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.785 -6.512 14.821 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.519 -7.638 15.268 1.00 0.00 H new ATOM 424 N GLU A 27 3.521 -6.706 13.538 1.00 0.00 N ATOM 425 CA GLU A 27 2.302 -7.398 13.064 1.00 0.00 C ATOM 426 C GLU A 27 2.167 -7.225 11.542 1.00 0.00 C ATOM 427 O GLU A 27 1.756 -8.138 10.821 1.00 0.00 O ATOM 428 CB GLU A 27 1.027 -6.884 13.807 1.00 0.00 C ATOM 429 CG GLU A 27 0.874 -7.388 15.252 1.00 0.00 C ATOM 430 CD GLU A 27 0.846 -8.921 15.375 1.00 0.00 C ATOM 431 OE1 GLU A 27 -0.242 -9.521 15.269 1.00 0.00 O ATOM 432 OE2 GLU A 27 1.917 -9.533 15.588 1.00 0.00 O ATOM 0 H GLU A 27 3.344 -5.885 14.116 1.00 0.00 H new ATOM 0 HA GLU A 27 2.395 -8.460 13.291 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.045 -5.794 13.817 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.147 -7.183 13.238 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.697 -7.000 15.851 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.046 -6.982 15.673 1.00 0.00 H new ATOM 439 N LEU A 28 2.524 -6.028 11.073 1.00 0.00 N ATOM 440 CA LEU A 28 2.611 -5.714 9.647 1.00 0.00 C ATOM 441 C LEU A 28 4.072 -5.785 9.202 1.00 0.00 C ATOM 442 O LEU A 28 4.946 -5.146 9.794 1.00 0.00 O ATOM 443 CB LEU A 28 1.995 -4.318 9.347 1.00 0.00 C ATOM 444 CG LEU A 28 0.437 -4.263 9.241 1.00 0.00 C ATOM 445 CD1 LEU A 28 -0.071 -5.115 8.067 1.00 0.00 C ATOM 446 CD2 LEU A 28 -0.248 -4.674 10.559 1.00 0.00 C ATOM 0 H LEU A 28 2.763 -5.243 11.678 1.00 0.00 H new ATOM 0 HA LEU A 28 2.035 -6.447 9.082 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.310 -3.628 10.130 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.416 -3.951 8.411 1.00 0.00 H new ATOM 0 HG LEU A 28 0.168 -3.225 9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.158 -5.057 8.019 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.354 -4.741 7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.231 -6.152 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.330 -4.621 10.439 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.039 -5.694 10.816 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.062 -3.998 11.356 1.00 0.00 H new ATOM 458 N ASP A 29 4.304 -6.607 8.183 1.00 0.00 N ATOM 459 CA ASP A 29 5.609 -6.798 7.532 1.00 0.00 C ATOM 460 C ASP A 29 5.430 -6.664 6.008 1.00 0.00 C ATOM 461 O ASP A 29 4.300 -6.688 5.497 1.00 0.00 O ATOM 462 CB ASP A 29 6.171 -8.198 7.928 1.00 0.00 C ATOM 463 CG ASP A 29 7.519 -8.552 7.280 1.00 0.00 C ATOM 464 OD1 ASP A 29 8.555 -8.003 7.712 1.00 0.00 O ATOM 465 OD2 ASP A 29 7.552 -9.386 6.334 1.00 0.00 O ATOM 0 H ASP A 29 3.569 -7.180 7.769 1.00 0.00 H new ATOM 0 HA ASP A 29 6.323 -6.042 7.857 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.282 -8.237 9.012 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.440 -8.959 7.655 1.00 0.00 H new ATOM 470 N ASP A 30 6.555 -6.541 5.297 1.00 0.00 N ATOM 471 CA ASP A 30 6.584 -6.306 3.841 1.00 0.00 C ATOM 472 C ASP A 30 6.120 -7.541 3.044 1.00 0.00 C ATOM 473 O ASP A 30 5.666 -7.416 1.903 1.00 0.00 O ATOM 474 CB ASP A 30 7.998 -5.856 3.402 1.00 0.00 C ATOM 475 CG ASP A 30 9.104 -6.862 3.774 1.00 0.00 C ATOM 476 OD1 ASP A 30 9.606 -6.806 4.913 1.00 0.00 O ATOM 477 OD2 ASP A 30 9.486 -7.704 2.941 1.00 0.00 O ATOM 0 H ASP A 30 7.483 -6.602 5.716 1.00 0.00 H new ATOM 0 HA ASP A 30 5.877 -5.507 3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.004 -5.704 2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.224 -4.893 3.861 1.00 0.00 H new ATOM 482 N GLN A 31 6.246 -8.722 3.662 1.00 0.00 N ATOM 483 CA GLN A 31 5.845 -10.011 3.066 1.00 0.00 C ATOM 484 C GLN A 31 4.718 -10.676 3.876 1.00 0.00 C ATOM 485 O GLN A 31 4.443 -11.870 3.696 1.00 0.00 O ATOM 486 CB GLN A 31 7.075 -10.950 2.907 1.00 0.00 C ATOM 487 CG GLN A 31 8.000 -10.565 1.736 1.00 0.00 C ATOM 488 CD GLN A 31 9.206 -11.494 1.583 1.00 0.00 C ATOM 489 OE1 GLN A 31 9.742 -12.014 2.567 1.00 0.00 O ATOM 490 NE2 GLN A 31 9.635 -11.726 0.351 1.00 0.00 N ATOM 0 H GLN A 31 6.633 -8.815 4.601 1.00 0.00 H new ATOM 0 HA GLN A 31 5.448 -9.816 2.070 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.651 -10.940 3.832 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.725 -11.972 2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.425 -10.573 0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.353 -9.544 1.882 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.172 -11.282 -0.442 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.428 -12.348 0.196 1.00 0.00 H new ATOM 499 N THR A 32 4.088 -9.903 4.792 1.00 0.00 N ATOM 500 CA THR A 32 2.833 -10.297 5.435 1.00 0.00 C ATOM 501 C THR A 32 1.757 -10.469 4.334 1.00 0.00 C ATOM 502 O THR A 32 1.592 -9.573 3.498 1.00 0.00 O ATOM 503 CB THR A 32 2.377 -9.246 6.514 1.00 0.00 C ATOM 504 OG1 THR A 32 3.225 -9.346 7.668 1.00 0.00 O ATOM 505 CG2 THR A 32 0.913 -9.412 6.959 1.00 0.00 C ATOM 0 H THR A 32 4.441 -8.996 5.098 1.00 0.00 H new ATOM 0 HA THR A 32 2.978 -11.239 5.964 1.00 0.00 H new ATOM 0 HB THR A 32 2.459 -8.267 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.775 -8.945 8.440 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.671 -8.653 7.703 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.256 -9.298 6.097 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.775 -10.403 7.392 1.00 0.00 H new ATOM 513 N PRO A 33 1.076 -11.653 4.269 1.00 0.00 N ATOM 514 CA PRO A 33 0.015 -11.903 3.275 1.00 0.00 C ATOM 515 C PRO A 33 -1.232 -11.042 3.582 1.00 0.00 C ATOM 516 O PRO A 33 -2.127 -11.443 4.329 1.00 0.00 O ATOM 517 CB PRO A 33 -0.233 -13.426 3.409 1.00 0.00 C ATOM 518 CG PRO A 33 0.159 -13.764 4.822 1.00 0.00 C ATOM 519 CD PRO A 33 1.299 -12.827 5.159 1.00 0.00 C ATOM 0 HA PRO A 33 0.279 -11.629 2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.278 -13.674 3.220 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.363 -13.987 2.689 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.678 -13.625 5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.469 -14.806 4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.282 -12.540 6.210 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.267 -13.292 4.971 1.00 0.00 H new ATOM 527 N LEU A 34 -1.228 -9.826 3.011 1.00 0.00 N ATOM 528 CA LEU A 34 -2.165 -8.741 3.347 1.00 0.00 C ATOM 529 C LEU A 34 -3.630 -9.126 3.023 1.00 0.00 C ATOM 530 O LEU A 34 -4.536 -8.940 3.852 1.00 0.00 O ATOM 531 CB LEU A 34 -1.737 -7.454 2.586 1.00 0.00 C ATOM 532 CG LEU A 34 -0.271 -6.954 2.841 1.00 0.00 C ATOM 533 CD1 LEU A 34 0.096 -5.772 1.925 1.00 0.00 C ATOM 534 CD2 LEU A 34 -0.034 -6.602 4.327 1.00 0.00 C ATOM 0 H LEU A 34 -0.559 -9.564 2.287 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.125 -8.558 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.857 -7.632 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.424 -6.652 2.855 1.00 0.00 H new ATOM 0 HG LEU A 34 0.392 -7.782 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.118 -5.455 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.016 -6.081 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.586 -4.942 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.992 -6.260 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.722 -5.812 4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.205 -7.485 4.942 1.00 0.00 H new ATOM 546 N LEU A 35 -3.852 -9.672 1.815 1.00 0.00 N ATOM 547 CA LEU A 35 -5.190 -10.142 1.394 1.00 0.00 C ATOM 548 C LEU A 35 -5.630 -11.409 2.153 1.00 0.00 C ATOM 549 O LEU A 35 -6.826 -11.616 2.357 1.00 0.00 O ATOM 550 CB LEU A 35 -5.232 -10.401 -0.129 1.00 0.00 C ATOM 551 CG LEU A 35 -5.057 -9.157 -1.049 1.00 0.00 C ATOM 552 CD1 LEU A 35 -5.128 -9.560 -2.528 1.00 0.00 C ATOM 553 CD2 LEU A 35 -6.088 -8.054 -0.723 1.00 0.00 C ATOM 0 H LEU A 35 -3.125 -9.800 1.111 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.892 -9.345 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.450 -11.120 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.185 -10.872 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.068 -8.741 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.003 -8.675 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.335 -10.275 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.096 -10.017 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.933 -7.203 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.096 -8.445 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.964 -7.735 0.312 1.00 0.00 H new ATOM 565 N GLU A 36 -4.661 -12.244 2.572 1.00 0.00 N ATOM 566 CA GLU A 36 -4.943 -13.477 3.333 1.00 0.00 C ATOM 567 C GLU A 36 -5.471 -13.114 4.732 1.00 0.00 C ATOM 568 O GLU A 36 -6.385 -13.765 5.251 1.00 0.00 O ATOM 569 CB GLU A 36 -3.668 -14.341 3.443 1.00 0.00 C ATOM 570 CG GLU A 36 -3.890 -15.766 3.980 1.00 0.00 C ATOM 571 CD GLU A 36 -4.670 -16.643 2.988 1.00 0.00 C ATOM 572 OE1 GLU A 36 -4.058 -17.141 2.017 1.00 0.00 O ATOM 573 OE2 GLU A 36 -5.893 -16.832 3.157 1.00 0.00 O ATOM 0 H GLU A 36 -3.669 -12.086 2.395 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.704 -14.055 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.207 -14.408 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.957 -13.831 4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.925 -16.228 4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.433 -15.717 4.924 1.00 0.00 H new ATOM 580 N TRP A 37 -4.894 -12.042 5.309 1.00 0.00 N ATOM 581 CA TRP A 37 -5.365 -11.456 6.581 1.00 0.00 C ATOM 582 C TRP A 37 -6.734 -10.769 6.403 1.00 0.00 C ATOM 583 O TRP A 37 -7.467 -10.578 7.381 1.00 0.00 O ATOM 584 CB TRP A 37 -4.337 -10.416 7.112 1.00 0.00 C ATOM 585 CG TRP A 37 -3.108 -10.999 7.773 1.00 0.00 C ATOM 586 CD1 TRP A 37 -2.378 -12.086 7.375 1.00 0.00 C ATOM 587 CD2 TRP A 37 -2.464 -10.497 8.953 1.00 0.00 C ATOM 588 NE1 TRP A 37 -1.329 -12.289 8.235 1.00 0.00 N ATOM 589 CE2 TRP A 37 -1.361 -11.331 9.215 1.00 0.00 C ATOM 590 CE3 TRP A 37 -2.713 -9.416 9.811 1.00 0.00 C ATOM 591 CZ2 TRP A 37 -0.515 -11.121 10.299 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -1.875 -9.211 10.888 1.00 0.00 C ATOM 593 CH2 TRP A 37 -0.784 -10.063 11.125 1.00 0.00 C ATOM 0 H TRP A 37 -4.090 -11.558 4.908 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.469 -12.268 7.300 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.018 -9.788 6.280 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.840 -9.766 7.828 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.596 -12.695 6.510 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.636 -13.034 8.158 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.548 -8.754 9.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.327 -11.772 10.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.061 -8.384 11.558 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.145 -9.880 11.976 1.00 0.00 H new ATOM 604 N GLY A 38 -7.056 -10.375 5.154 1.00 0.00 N ATOM 605 CA GLY A 38 -8.329 -9.718 4.840 1.00 0.00 C ATOM 606 C GLY A 38 -8.334 -8.242 5.208 1.00 0.00 C ATOM 607 O GLY A 38 -9.349 -7.555 5.037 1.00 0.00 O ATOM 0 H GLY A 38 -6.445 -10.504 4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.535 -9.823 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.135 -10.224 5.372 1.00 0.00 H new ATOM 611 N ILE A 39 -7.174 -7.754 5.688 1.00 0.00 N ATOM 612 CA ILE A 39 -6.991 -6.368 6.149 1.00 0.00 C ATOM 613 C ILE A 39 -7.052 -5.374 4.975 1.00 0.00 C ATOM 614 O ILE A 39 -7.114 -4.178 5.209 1.00 0.00 O ATOM 615 CB ILE A 39 -5.631 -6.205 6.931 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.419 -6.556 6.007 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.631 -7.058 8.226 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.058 -6.477 6.665 1.00 0.00 C ATOM 0 H ILE A 39 -6.329 -8.320 5.767 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.811 -6.142 6.830 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.527 -5.162 7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.559 -7.565 5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.430 -5.882 5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.682 -6.928 8.747 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.447 -6.737 8.873 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.763 -8.109 7.969 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.287 -6.739 5.940 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.887 -5.463 7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.018 -7.172 7.503 1.00 0.00 H new ATOM 630 N LEU A 40 -6.966 -5.885 3.722 1.00 0.00 N ATOM 631 CA LEU A 40 -7.167 -5.083 2.488 1.00 0.00 C ATOM 632 C LEU A 40 -8.441 -5.563 1.756 1.00 0.00 C ATOM 633 O LEU A 40 -8.687 -6.767 1.650 1.00 0.00 O ATOM 634 CB LEU A 40 -5.943 -5.184 1.532 1.00 0.00 C ATOM 635 CG LEU A 40 -4.553 -4.738 2.087 1.00 0.00 C ATOM 636 CD1 LEU A 40 -3.494 -4.724 0.962 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.633 -3.378 2.813 1.00 0.00 C ATOM 0 H LEU A 40 -6.755 -6.866 3.538 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.278 -4.039 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.857 -6.220 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.158 -4.587 0.646 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.242 -5.471 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.533 -4.410 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.399 -5.724 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.801 -4.028 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.645 -3.105 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.984 -2.615 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.327 -3.453 3.650 1.00 0.00 H new ATOM 649 N ASN A 41 -9.220 -4.592 1.252 1.00 0.00 N ATOM 650 CA ASN A 41 -10.535 -4.805 0.597 1.00 0.00 C ATOM 651 C ASN A 41 -10.988 -3.490 -0.072 1.00 0.00 C ATOM 652 O ASN A 41 -10.417 -2.434 0.210 1.00 0.00 O ATOM 653 CB ASN A 41 -11.593 -5.272 1.633 1.00 0.00 C ATOM 654 CG ASN A 41 -11.703 -4.337 2.850 1.00 0.00 C ATOM 655 OD1 ASN A 41 -12.440 -3.354 2.826 1.00 0.00 O ATOM 656 ND2 ASN A 41 -10.965 -4.631 3.918 1.00 0.00 N ATOM 0 H ASN A 41 -8.952 -3.609 1.286 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.435 -5.583 -0.159 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.565 -5.339 1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.339 -6.275 1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.003 -4.034 4.744 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.362 -5.454 3.910 1.00 0.00 H new ATOM 663 N SER A 42 -12.024 -3.559 -0.923 1.00 0.00 N ATOM 664 CA SER A 42 -12.533 -2.405 -1.709 1.00 0.00 C ATOM 665 C SER A 42 -12.953 -1.212 -0.814 1.00 0.00 C ATOM 666 O SER A 42 -12.727 -0.043 -1.168 1.00 0.00 O ATOM 667 CB SER A 42 -13.702 -2.896 -2.615 1.00 0.00 C ATOM 668 OG SER A 42 -14.534 -1.865 -3.158 1.00 0.00 O ATOM 0 H SER A 42 -12.542 -4.421 -1.092 1.00 0.00 H new ATOM 0 HA SER A 42 -11.726 -2.022 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.282 -3.473 -3.439 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.327 -3.576 -2.036 1.00 0.00 H new ATOM 673 N MET A 43 -13.521 -1.504 0.364 1.00 0.00 N ATOM 674 CA MET A 43 -13.974 -0.461 1.298 1.00 0.00 C ATOM 675 C MET A 43 -12.784 0.384 1.799 1.00 0.00 C ATOM 676 O MET A 43 -12.782 1.609 1.661 1.00 0.00 O ATOM 677 CB MET A 43 -14.760 -1.088 2.485 1.00 0.00 C ATOM 678 CG MET A 43 -15.147 -0.113 3.619 1.00 0.00 C ATOM 679 SD MET A 43 -15.968 1.397 3.045 1.00 0.00 S ATOM 680 CE MET A 43 -17.389 0.778 2.134 1.00 0.00 C ATOM 0 H MET A 43 -13.679 -2.456 0.694 1.00 0.00 H new ATOM 0 HA MET A 43 -14.651 0.205 0.763 1.00 0.00 H new ATOM 0 HB2 MET A 43 -15.671 -1.543 2.095 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.160 -1.892 2.911 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.805 -0.628 4.319 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.248 0.162 4.171 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.981 1.617 1.769 1.00 0.00 H new ATOM 0 HE2 MET A 43 -17.047 0.181 1.289 1.00 0.00 H new ATOM 0 HE3 MET A 43 -18.001 0.160 2.791 1.00 0.00 H new ATOM 690 N ASN A 44 -11.753 -0.281 2.329 1.00 0.00 N ATOM 691 CA ASN A 44 -10.647 0.407 3.027 1.00 0.00 C ATOM 692 C ASN A 44 -9.511 0.839 2.070 1.00 0.00 C ATOM 693 O ASN A 44 -8.689 1.697 2.435 1.00 0.00 O ATOM 694 CB ASN A 44 -10.100 -0.481 4.175 1.00 0.00 C ATOM 695 CG ASN A 44 -9.112 -1.552 3.744 1.00 0.00 C ATOM 696 OD1 ASN A 44 -9.200 -2.135 2.674 1.00 0.00 O ATOM 697 ND2 ASN A 44 -8.154 -1.796 4.596 1.00 0.00 N ATOM 0 H ASN A 44 -11.655 -1.296 2.291 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.056 1.324 3.451 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.618 0.161 4.912 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.941 -0.963 4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.444 -2.495 4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.115 -1.288 5.479 1.00 0.00 H new ATOM 704 N ILE A 45 -9.471 0.239 0.854 1.00 0.00 N ATOM 705 CA ILE A 45 -8.376 0.442 -0.132 1.00 0.00 C ATOM 706 C ILE A 45 -8.244 1.927 -0.539 1.00 0.00 C ATOM 707 O ILE A 45 -7.146 2.409 -0.850 1.00 0.00 O ATOM 708 CB ILE A 45 -8.600 -0.448 -1.425 1.00 0.00 C ATOM 709 CG1 ILE A 45 -7.290 -0.590 -2.262 1.00 0.00 C ATOM 710 CG2 ILE A 45 -9.760 0.071 -2.309 1.00 0.00 C ATOM 711 CD1 ILE A 45 -6.255 -1.513 -1.652 1.00 0.00 C ATOM 0 H ILE A 45 -10.196 -0.400 0.528 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.450 0.134 0.354 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.884 -1.437 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.546 -0.957 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.847 0.398 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.870 -0.574 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.686 0.066 -1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.542 1.088 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.378 -1.554 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.966 -1.137 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.676 -2.513 -1.548 1.00 0.00 H new ATOM 723 N VAL A 46 -9.384 2.635 -0.501 1.00 0.00 N ATOM 724 CA VAL A 46 -9.491 4.042 -0.897 1.00 0.00 C ATOM 725 C VAL A 46 -8.656 4.958 0.033 1.00 0.00 C ATOM 726 O VAL A 46 -8.086 5.957 -0.431 1.00 0.00 O ATOM 727 CB VAL A 46 -11.004 4.492 -0.944 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.791 3.653 -1.991 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.673 4.410 0.457 1.00 0.00 C ATOM 0 H VAL A 46 -10.269 2.236 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.078 4.142 -1.901 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.030 5.537 -1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.832 3.977 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.349 3.795 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.744 2.598 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.713 4.728 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.632 3.383 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.143 5.062 1.152 1.00 0.00 H new ATOM 739 N LYS A 47 -8.551 4.583 1.334 1.00 0.00 N ATOM 740 CA LYS A 47 -7.733 5.328 2.305 1.00 0.00 C ATOM 741 C LYS A 47 -6.233 5.141 2.005 1.00 0.00 C ATOM 742 O LYS A 47 -5.441 6.055 2.239 1.00 0.00 O ATOM 743 CB LYS A 47 -8.053 4.955 3.781 1.00 0.00 C ATOM 744 CG LYS A 47 -9.407 5.504 4.309 1.00 0.00 C ATOM 745 CD LYS A 47 -10.570 4.506 4.171 1.00 0.00 C ATOM 746 CE LYS A 47 -10.463 3.341 5.173 1.00 0.00 C ATOM 747 NZ LYS A 47 -10.456 3.803 6.590 1.00 0.00 N ATOM 0 H LYS A 47 -9.025 3.769 1.727 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.990 6.381 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.055 3.869 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.251 5.329 4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.295 5.776 5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.656 6.417 3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.514 5.028 4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.587 4.109 3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.299 2.658 5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.551 2.778 4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.786 3.034 7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.490 4.074 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.087 4.623 6.691 1.00 0.00 H new ATOM 761 N LEU A 48 -5.843 3.947 1.502 1.00 0.00 N ATOM 762 CA LEU A 48 -4.465 3.713 1.044 1.00 0.00 C ATOM 763 C LEU A 48 -4.162 4.587 -0.179 1.00 0.00 C ATOM 764 O LEU A 48 -3.147 5.264 -0.201 1.00 0.00 O ATOM 765 CB LEU A 48 -4.194 2.209 0.731 1.00 0.00 C ATOM 766 CG LEU A 48 -4.063 1.262 1.961 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.741 -0.183 1.529 1.00 0.00 C ATOM 768 CD2 LEU A 48 -3.017 1.794 2.970 1.00 0.00 C ATOM 0 H LEU A 48 -6.461 3.141 1.406 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.795 3.991 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.002 1.840 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.276 2.141 0.147 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.029 1.244 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.657 -0.816 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.539 -0.558 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.799 -0.197 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.949 1.111 3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.045 1.866 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.320 2.780 3.322 1.00 0.00 H new ATOM 780 N MET A 49 -5.069 4.594 -1.164 1.00 0.00 N ATOM 781 CA MET A 49 -4.893 5.356 -2.424 1.00 0.00 C ATOM 782 C MET A 49 -4.598 6.844 -2.162 1.00 0.00 C ATOM 783 O MET A 49 -3.670 7.418 -2.739 1.00 0.00 O ATOM 784 CB MET A 49 -6.161 5.255 -3.284 1.00 0.00 C ATOM 785 CG MET A 49 -6.519 3.859 -3.759 1.00 0.00 C ATOM 786 SD MET A 49 -8.141 3.847 -4.538 1.00 0.00 S ATOM 787 CE MET A 49 -8.227 2.150 -5.049 1.00 0.00 C ATOM 0 H MET A 49 -5.946 4.076 -1.118 1.00 0.00 H new ATOM 0 HA MET A 49 -4.041 4.918 -2.944 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.000 5.651 -2.712 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.039 5.897 -4.157 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.768 3.507 -4.466 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.511 3.169 -2.915 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.214 1.749 -4.816 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.053 2.084 -6.123 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.467 1.572 -4.522 1.00 0.00 H new ATOM 797 N VAL A 50 -5.413 7.437 -1.282 1.00 0.00 N ATOM 798 CA VAL A 50 -5.306 8.867 -0.917 1.00 0.00 C ATOM 799 C VAL A 50 -4.079 9.133 -0.005 1.00 0.00 C ATOM 800 O VAL A 50 -3.571 10.259 0.039 1.00 0.00 O ATOM 801 CB VAL A 50 -6.614 9.407 -0.224 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.867 9.198 -1.120 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.804 8.779 1.176 1.00 0.00 C ATOM 0 H VAL A 50 -6.166 6.946 -0.800 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.172 9.409 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.494 10.482 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.749 9.583 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.733 9.730 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.999 8.134 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.714 9.170 1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.882 7.696 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.949 9.027 1.805 1.00 0.00 H new ATOM 813 N TYR A 51 -3.633 8.103 0.742 1.00 0.00 N ATOM 814 CA TYR A 51 -2.414 8.172 1.573 1.00 0.00 C ATOM 815 C TYR A 51 -1.182 8.306 0.664 1.00 0.00 C ATOM 816 O TYR A 51 -0.398 9.240 0.775 1.00 0.00 O ATOM 817 CB TYR A 51 -2.296 6.894 2.452 1.00 0.00 C ATOM 818 CG TYR A 51 -1.027 6.832 3.321 1.00 0.00 C ATOM 819 CD1 TYR A 51 -0.919 7.587 4.494 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.063 6.029 2.963 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.223 7.545 5.273 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.200 5.984 3.738 1.00 0.00 C ATOM 823 CZ TYR A 51 1.279 6.742 4.894 1.00 0.00 C ATOM 824 OH TYR A 51 2.426 6.714 5.658 1.00 0.00 O ATOM 0 H TYR A 51 -4.107 7.201 0.786 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.472 9.041 2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.169 6.833 3.102 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.320 6.019 1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.744 8.215 4.797 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.011 5.434 2.063 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.288 8.138 6.173 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.030 5.358 3.445 1.00 0.00 H new ATOM 0 HH TYR A 51 2.564 5.809 6.008 1.00 0.00 H new ATOM 834 N ILE A 52 -1.087 7.350 -0.257 1.00 0.00 N ATOM 835 CA ILE A 52 0.020 7.179 -1.219 1.00 0.00 C ATOM 836 C ILE A 52 0.050 8.351 -2.234 1.00 0.00 C ATOM 837 O ILE A 52 1.121 8.758 -2.699 1.00 0.00 O ATOM 838 CB ILE A 52 -0.205 5.782 -1.917 1.00 0.00 C ATOM 839 CG1 ILE A 52 -0.153 4.637 -0.844 1.00 0.00 C ATOM 840 CG2 ILE A 52 0.775 5.501 -3.072 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.875 3.364 -1.231 1.00 0.00 C ATOM 0 H ILE A 52 -1.808 6.637 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 52 0.991 7.194 -0.724 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.194 5.814 -2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.891 4.397 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.581 5.011 0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.559 4.523 -3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.663 6.268 -3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.797 5.513 -2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.782 2.634 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.929 3.582 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.434 2.958 -2.142 1.00 0.00 H new ATOM 853 N ARG A 53 -1.154 8.871 -2.533 1.00 0.00 N ATOM 854 CA ARG A 53 -1.393 10.102 -3.329 1.00 0.00 C ATOM 855 C ARG A 53 -0.475 11.268 -2.892 1.00 0.00 C ATOM 856 O ARG A 53 0.104 11.965 -3.731 1.00 0.00 O ATOM 857 CB ARG A 53 -2.876 10.509 -3.140 1.00 0.00 C ATOM 858 CG ARG A 53 -3.314 11.878 -3.714 1.00 0.00 C ATOM 859 CD ARG A 53 -4.619 12.375 -3.061 1.00 0.00 C ATOM 860 NE ARG A 53 -5.053 13.685 -3.575 1.00 0.00 N ATOM 861 CZ ARG A 53 -5.041 14.846 -2.887 1.00 0.00 C ATOM 862 NH1 ARG A 53 -4.595 14.907 -1.634 1.00 0.00 N ATOM 863 NH2 ARG A 53 -5.516 15.945 -3.452 1.00 0.00 N ATOM 0 H ARG A 53 -2.021 8.435 -2.219 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.167 9.893 -4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.498 9.738 -3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.093 10.506 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.523 12.611 -3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.455 11.793 -4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.408 11.643 -3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.477 12.442 -1.982 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.393 13.718 -4.536 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.252 14.064 -1.173 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.596 15.797 -1.135 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.888 15.911 -4.401 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.510 16.826 -2.938 1.00 0.00 H new ATOM 877 N ASP A 54 -0.378 11.468 -1.571 1.00 0.00 N ATOM 878 CA ASP A 54 0.421 12.555 -0.970 1.00 0.00 C ATOM 879 C ASP A 54 1.818 12.075 -0.537 1.00 0.00 C ATOM 880 O ASP A 54 2.827 12.702 -0.874 1.00 0.00 O ATOM 881 CB ASP A 54 -0.345 13.147 0.237 1.00 0.00 C ATOM 882 CG ASP A 54 -1.657 13.831 -0.185 1.00 0.00 C ATOM 883 OD1 ASP A 54 -1.602 14.983 -0.668 1.00 0.00 O ATOM 884 OD2 ASP A 54 -2.744 13.226 -0.051 1.00 0.00 O ATOM 0 H ASP A 54 -0.851 10.881 -0.884 1.00 0.00 H new ATOM 0 HA ASP A 54 0.570 13.325 -1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.565 12.353 0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.291 13.869 0.750 1.00 0.00 H new ATOM 889 N GLU A 55 1.857 10.964 0.210 1.00 0.00 N ATOM 890 CA GLU A 55 3.086 10.454 0.863 1.00 0.00 C ATOM 891 C GLU A 55 4.128 9.952 -0.156 1.00 0.00 C ATOM 892 O GLU A 55 5.299 10.348 -0.094 1.00 0.00 O ATOM 893 CB GLU A 55 2.723 9.332 1.864 1.00 0.00 C ATOM 894 CG GLU A 55 2.072 9.807 3.175 1.00 0.00 C ATOM 895 CD GLU A 55 3.069 10.508 4.112 1.00 0.00 C ATOM 896 OE1 GLU A 55 3.930 9.810 4.697 1.00 0.00 O ATOM 897 OE2 GLU A 55 3.021 11.752 4.248 1.00 0.00 O ATOM 0 H GLU A 55 1.036 10.385 0.384 1.00 0.00 H new ATOM 0 HA GLU A 55 3.543 11.286 1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.045 8.634 1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.629 8.777 2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.255 10.490 2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.635 8.951 3.690 1.00 0.00 H new ATOM 904 N MET A 56 3.718 9.045 -1.066 1.00 0.00 N ATOM 905 CA MET A 56 4.583 8.630 -2.190 1.00 0.00 C ATOM 906 C MET A 56 4.523 9.687 -3.310 1.00 0.00 C ATOM 907 O MET A 56 5.496 9.874 -4.048 1.00 0.00 O ATOM 908 CB MET A 56 4.160 7.249 -2.771 1.00 0.00 C ATOM 909 CG MET A 56 4.572 5.989 -1.981 1.00 0.00 C ATOM 910 SD MET A 56 3.310 5.369 -0.846 1.00 0.00 S ATOM 911 CE MET A 56 3.756 6.130 0.695 1.00 0.00 C ATOM 0 H MET A 56 2.805 8.591 -1.046 1.00 0.00 H new ATOM 0 HA MET A 56 5.599 8.540 -1.805 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.075 7.244 -2.871 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.573 7.166 -3.776 1.00 0.00 H new ATOM 0 HG2 MET A 56 4.826 5.199 -2.688 1.00 0.00 H new ATOM 0 HG3 MET A 56 5.476 6.211 -1.413 1.00 0.00 H new ATOM 0 HE1 MET A 56 2.912 6.079 1.383 1.00 0.00 H new ATOM 0 HE2 MET A 56 4.609 5.605 1.127 1.00 0.00 H new ATOM 0 HE3 MET A 56 4.021 7.173 0.522 1.00 0.00 H new ATOM 921 N GLY A 57 3.387 10.403 -3.401 1.00 0.00 N ATOM 922 CA GLY A 57 3.137 11.321 -4.510 1.00 0.00 C ATOM 923 C GLY A 57 2.682 10.594 -5.769 1.00 0.00 C ATOM 924 O GLY A 57 3.071 10.965 -6.882 1.00 0.00 O ATOM 0 H GLY A 57 2.632 10.358 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.377 12.045 -4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.046 11.883 -4.726 1.00 0.00 H new ATOM 928 N VAL A 58 1.848 9.545 -5.589 1.00 0.00 N ATOM 929 CA VAL A 58 1.270 8.779 -6.707 1.00 0.00 C ATOM 930 C VAL A 58 -0.174 8.366 -6.391 1.00 0.00 C ATOM 931 O VAL A 58 -0.450 7.702 -5.383 1.00 0.00 O ATOM 932 CB VAL A 58 2.132 7.509 -7.090 1.00 0.00 C ATOM 933 CG1 VAL A 58 2.304 6.516 -5.942 1.00 0.00 C ATOM 934 CG2 VAL A 58 1.581 6.818 -8.358 1.00 0.00 C ATOM 0 H VAL A 58 1.561 9.210 -4.669 1.00 0.00 H new ATOM 0 HA VAL A 58 1.274 9.441 -7.573 1.00 0.00 H new ATOM 0 HB VAL A 58 3.132 7.882 -7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.905 5.672 -6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.804 7.008 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.326 6.159 -5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.195 5.949 -8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.554 6.499 -8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.605 7.518 -9.193 1.00 0.00 H new ATOM 944 N SER A 59 -1.098 8.803 -7.250 1.00 0.00 N ATOM 945 CA SER A 59 -2.492 8.359 -7.218 1.00 0.00 C ATOM 946 C SER A 59 -2.590 7.021 -7.979 1.00 0.00 C ATOM 947 O SER A 59 -2.343 6.972 -9.191 1.00 0.00 O ATOM 948 CB SER A 59 -3.395 9.431 -7.854 1.00 0.00 C ATOM 949 OG SER A 59 -4.765 9.056 -7.876 1.00 0.00 O ATOM 0 H SER A 59 -0.899 9.477 -7.989 1.00 0.00 H new ATOM 0 HA SER A 59 -2.826 8.213 -6.191 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.288 10.364 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.060 9.624 -8.873 1.00 0.00 H new ATOM 0 HG SER A 59 -5.293 9.771 -8.288 1.00 0.00 H new ATOM 955 N ILE A 60 -2.906 5.938 -7.256 1.00 0.00 N ATOM 956 CA ILE A 60 -2.984 4.589 -7.840 1.00 0.00 C ATOM 957 C ILE A 60 -4.321 4.432 -8.596 1.00 0.00 C ATOM 958 O ILE A 60 -5.387 4.667 -8.006 1.00 0.00 O ATOM 959 CB ILE A 60 -2.885 3.449 -6.758 1.00 0.00 C ATOM 960 CG1 ILE A 60 -1.662 3.658 -5.815 1.00 0.00 C ATOM 961 CG2 ILE A 60 -2.822 2.053 -7.438 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.609 2.675 -4.649 1.00 0.00 C ATOM 0 H ILE A 60 -3.113 5.970 -6.258 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.133 4.486 -8.514 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.785 3.497 -6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.746 3.566 -6.398 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.688 4.674 -5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.754 1.279 -6.674 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.722 1.897 -8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.946 2.002 -8.085 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.731 2.883 -4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.508 2.782 -4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.550 1.657 -5.034 1.00 0.00 H new ATOM 974 N PRO A 61 -4.303 4.048 -9.911 1.00 0.00 N ATOM 975 CA PRO A 61 -5.542 3.699 -10.636 1.00 0.00 C ATOM 976 C PRO A 61 -6.144 2.362 -10.140 1.00 0.00 C ATOM 977 O PRO A 61 -5.407 1.442 -9.757 1.00 0.00 O ATOM 978 CB PRO A 61 -5.077 3.617 -12.108 1.00 0.00 C ATOM 979 CG PRO A 61 -3.621 3.260 -12.024 1.00 0.00 C ATOM 980 CD PRO A 61 -3.104 3.967 -10.790 1.00 0.00 C ATOM 0 HA PRO A 61 -6.342 4.424 -10.486 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.639 2.864 -12.660 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.224 4.566 -12.624 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.485 2.181 -11.945 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.085 3.584 -12.916 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.296 3.410 -10.317 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.713 4.956 -11.028 1.00 0.00 H new ATOM 988 N SER A 62 -7.486 2.270 -10.174 1.00 0.00 N ATOM 989 CA SER A 62 -8.231 1.102 -9.662 1.00 0.00 C ATOM 990 C SER A 62 -8.011 -0.154 -10.532 1.00 0.00 C ATOM 991 O SER A 62 -8.216 -1.284 -10.073 1.00 0.00 O ATOM 992 CB SER A 62 -9.731 1.446 -9.524 1.00 0.00 C ATOM 993 OG SER A 62 -10.251 2.003 -10.711 1.00 0.00 O ATOM 0 H SER A 62 -8.085 3.002 -10.556 1.00 0.00 H new ATOM 0 HA SER A 62 -7.841 0.861 -8.673 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.289 0.545 -9.270 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.869 2.148 -8.702 1.00 0.00 H new ATOM 0 HG SER A 62 -11.202 2.206 -10.588 1.00 0.00 H new ATOM 999 N THR A 63 -7.568 0.067 -11.791 1.00 0.00 N ATOM 1000 CA THR A 63 -7.170 -1.013 -12.712 1.00 0.00 C ATOM 1001 C THR A 63 -5.841 -1.677 -12.263 1.00 0.00 C ATOM 1002 O THR A 63 -5.571 -2.828 -12.614 1.00 0.00 O ATOM 1003 CB THR A 63 -7.044 -0.491 -14.192 1.00 0.00 C ATOM 1004 OG1 THR A 63 -6.701 -1.569 -15.083 1.00 0.00 O ATOM 1005 CG2 THR A 63 -6.001 0.632 -14.334 1.00 0.00 C ATOM 0 H THR A 63 -7.478 1.000 -12.193 1.00 0.00 H new ATOM 0 HA THR A 63 -7.958 -1.766 -12.681 1.00 0.00 H new ATOM 0 HB THR A 63 -8.019 -0.082 -14.459 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.628 -1.226 -15.998 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.954 0.956 -15.374 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.286 1.475 -13.704 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.024 0.262 -14.025 1.00 0.00 H new ATOM 1013 N HIS A 64 -5.011 -0.941 -11.500 1.00 0.00 N ATOM 1014 CA HIS A 64 -3.735 -1.462 -10.948 1.00 0.00 C ATOM 1015 C HIS A 64 -3.932 -2.050 -9.537 1.00 0.00 C ATOM 1016 O HIS A 64 -2.968 -2.531 -8.932 1.00 0.00 O ATOM 1017 CB HIS A 64 -2.626 -0.358 -10.963 1.00 0.00 C ATOM 1018 CG HIS A 64 -1.740 -0.400 -12.193 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -2.031 0.253 -13.375 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -0.569 -1.056 -12.415 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -1.087 -0.006 -14.262 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -0.191 -0.794 -13.703 1.00 0.00 N ATOM 0 H HIS A 64 -5.200 0.029 -11.247 1.00 0.00 H new ATOM 0 HA HIS A 64 -3.399 -2.275 -11.592 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.100 0.622 -10.901 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.004 -0.468 -10.074 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.036 -1.671 -11.705 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.055 0.366 -15.275 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.649 -1.151 -14.158 1.00 0.00 H new ATOM 1031 N ILE A 65 -5.173 -1.999 -9.010 1.00 0.00 N ATOM 1032 CA ILE A 65 -5.513 -2.672 -7.745 1.00 0.00 C ATOM 1033 C ILE A 65 -5.882 -4.122 -8.064 1.00 0.00 C ATOM 1034 O ILE A 65 -6.989 -4.405 -8.534 1.00 0.00 O ATOM 1035 CB ILE A 65 -6.689 -1.999 -6.945 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -6.512 -0.457 -6.853 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -6.801 -2.627 -5.520 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -5.327 0.031 -6.045 1.00 0.00 C ATOM 0 H ILE A 65 -5.951 -1.500 -9.441 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.638 -2.599 -7.099 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.615 -2.189 -7.488 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.424 -0.061 -7.865 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.419 -0.033 -6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.618 -2.153 -4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.996 -3.696 -5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.867 -2.471 -4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.306 1.121 -6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.416 -0.324 -5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.405 -0.352 -6.483 1.00 0.00 H new ATOM 1050 N THR A 66 -4.921 -5.013 -7.862 1.00 0.00 N ATOM 1051 CA THR A 66 -5.102 -6.453 -8.046 1.00 0.00 C ATOM 1052 C THR A 66 -4.211 -7.200 -7.053 1.00 0.00 C ATOM 1053 O THR A 66 -3.184 -6.672 -6.618 1.00 0.00 O ATOM 1054 CB THR A 66 -4.807 -6.899 -9.523 1.00 0.00 C ATOM 1055 OG1 THR A 66 -4.938 -8.326 -9.651 1.00 0.00 O ATOM 1056 CG2 THR A 66 -3.407 -6.472 -9.997 1.00 0.00 C ATOM 0 H THR A 66 -3.981 -4.756 -7.562 1.00 0.00 H new ATOM 0 HA THR A 66 -6.146 -6.700 -7.853 1.00 0.00 H new ATOM 0 HB THR A 66 -5.541 -6.399 -10.155 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.688 -8.534 -10.247 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.253 -6.804 -11.024 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.323 -5.386 -9.951 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.652 -6.922 -9.353 1.00 0.00 H new ATOM 1064 N GLY A 67 -4.594 -8.444 -6.729 1.00 0.00 N ATOM 1065 CA GLY A 67 -3.878 -9.252 -5.736 1.00 0.00 C ATOM 1066 C GLY A 67 -2.451 -9.607 -6.132 1.00 0.00 C ATOM 1067 O GLY A 67 -1.625 -9.919 -5.278 1.00 0.00 O ATOM 0 H GLY A 67 -5.400 -8.912 -7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.857 -8.710 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.435 -10.173 -5.563 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.166 -9.516 -7.438 1.00 0.00 N ATOM 1072 CA LYS A 68 -0.816 -9.705 -7.982 1.00 0.00 C ATOM 1073 C LYS A 68 0.166 -8.640 -7.442 1.00 0.00 C ATOM 1074 O LYS A 68 1.371 -8.896 -7.324 1.00 0.00 O ATOM 1075 CB LYS A 68 -0.873 -9.670 -9.532 1.00 0.00 C ATOM 1076 CG LYS A 68 -1.837 -10.722 -10.135 1.00 0.00 C ATOM 1077 CD LYS A 68 -1.813 -10.751 -11.677 1.00 0.00 C ATOM 1078 CE LYS A 68 -2.431 -9.497 -12.319 1.00 0.00 C ATOM 1079 NZ LYS A 68 -3.898 -9.410 -12.067 1.00 0.00 N ATOM 0 H LYS A 68 -2.868 -9.309 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.444 -10.677 -7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.183 -8.676 -9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.128 -9.836 -9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.572 -11.709 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.852 -10.512 -9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.782 -10.853 -12.016 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.352 -11.632 -12.025 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.941 -8.607 -11.923 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.247 -9.511 -13.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.341 -8.816 -12.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.313 -10.363 -12.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.065 -8.990 -11.130 1.00 0.00 H new ATOM 1093 N TYR A 69 -0.358 -7.439 -7.160 1.00 0.00 N ATOM 1094 CA TYR A 69 0.388 -6.365 -6.480 1.00 0.00 C ATOM 1095 C TYR A 69 0.109 -6.354 -4.960 1.00 0.00 C ATOM 1096 O TYR A 69 1.004 -6.095 -4.162 1.00 0.00 O ATOM 1097 CB TYR A 69 0.054 -4.994 -7.124 1.00 0.00 C ATOM 1098 CG TYR A 69 0.444 -4.905 -8.609 1.00 0.00 C ATOM 1099 CD1 TYR A 69 1.735 -5.245 -9.037 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -0.468 -4.490 -9.582 1.00 0.00 C ATOM 1101 CE1 TYR A 69 2.090 -5.175 -10.372 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -0.116 -4.418 -10.914 1.00 0.00 C ATOM 1103 CZ TYR A 69 1.163 -4.761 -11.304 1.00 0.00 C ATOM 1104 OH TYR A 69 1.513 -4.696 -12.638 1.00 0.00 O ATOM 0 H TYR A 69 -1.316 -7.182 -7.397 1.00 0.00 H new ATOM 0 HA TYR A 69 1.454 -6.557 -6.606 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.015 -4.805 -7.025 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.569 -4.207 -6.573 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.466 -5.568 -8.311 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.471 -4.220 -9.285 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.089 -5.444 -10.683 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.838 -4.095 -11.649 1.00 0.00 H new ATOM 0 HH TYR A 69 0.745 -4.387 -13.163 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.133 -6.651 -4.559 1.00 0.00 N ATOM 1115 CA PHE A 70 -1.605 -6.420 -3.171 1.00 0.00 C ATOM 1116 C PHE A 70 -1.568 -7.680 -2.296 1.00 0.00 C ATOM 1117 O PHE A 70 -2.132 -7.672 -1.192 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.019 -5.759 -3.207 1.00 0.00 C ATOM 1119 CG PHE A 70 -2.952 -4.279 -3.600 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -2.840 -3.890 -4.935 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -2.943 -3.279 -2.627 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -2.709 -2.559 -5.283 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -2.823 -1.948 -2.977 1.00 0.00 C ATOM 1124 CZ PHE A 70 -2.704 -1.588 -4.302 1.00 0.00 C ATOM 0 H PHE A 70 -1.840 -7.055 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.907 -5.735 -2.690 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.651 -6.294 -3.916 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.488 -5.853 -2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.856 -4.642 -5.710 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.031 -3.549 -1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.611 -2.279 -6.321 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.822 -1.187 -2.210 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.607 -0.547 -4.573 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.870 -8.749 -2.756 1.00 0.00 N ATOM 1135 CA LYS A 71 -0.625 -9.934 -1.911 1.00 0.00 C ATOM 1136 C LYS A 71 0.360 -9.562 -0.792 1.00 0.00 C ATOM 1137 O LYS A 71 0.223 -10.035 0.347 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.112 -11.169 -2.722 1.00 0.00 C ATOM 1139 CG LYS A 71 1.399 -11.179 -3.117 1.00 0.00 C ATOM 1140 CD LYS A 71 1.698 -10.855 -4.603 1.00 0.00 C ATOM 1141 CE LYS A 71 1.251 -11.978 -5.551 1.00 0.00 C ATOM 1142 NZ LYS A 71 1.781 -11.789 -6.920 1.00 0.00 N ATOM 0 H LYS A 71 -0.474 -8.810 -3.694 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.579 -10.237 -1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.315 -12.066 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.702 -11.243 -3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.926 -10.458 -2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.811 -12.161 -2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.193 -9.929 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.767 -10.684 -4.726 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.588 -12.938 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.162 -12.012 -5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.243 -12.380 -7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.690 -10.790 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.784 -12.064 -6.945 1.00 0.00 H new ATOM 1156 N ASP A 72 1.336 -8.676 -1.125 1.00 0.00 N ATOM 1157 CA ASP A 72 2.318 -8.175 -0.158 1.00 0.00 C ATOM 1158 C ASP A 72 2.808 -6.779 -0.576 1.00 0.00 C ATOM 1159 O ASP A 72 2.643 -6.371 -1.728 1.00 0.00 O ATOM 1160 CB ASP A 72 3.511 -9.164 -0.035 1.00 0.00 C ATOM 1161 CG ASP A 72 4.503 -9.114 -1.213 1.00 0.00 C ATOM 1162 OD1 ASP A 72 4.116 -9.384 -2.367 1.00 0.00 O ATOM 1163 OD2 ASP A 72 5.682 -8.807 -0.989 1.00 0.00 O ATOM 0 H ASP A 72 1.454 -8.299 -2.065 1.00 0.00 H new ATOM 0 HA ASP A 72 1.841 -8.095 0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.050 -8.951 0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.120 -10.178 0.052 1.00 0.00 H new ATOM 1168 N LEU A 73 3.473 -6.090 0.360 1.00 0.00 N ATOM 1169 CA LEU A 73 3.924 -4.695 0.198 1.00 0.00 C ATOM 1170 C LEU A 73 5.030 -4.528 -0.840 1.00 0.00 C ATOM 1171 O LEU A 73 5.169 -3.438 -1.389 1.00 0.00 O ATOM 1172 CB LEU A 73 4.432 -4.175 1.550 1.00 0.00 C ATOM 1173 CG LEU A 73 3.358 -3.828 2.604 1.00 0.00 C ATOM 1174 CD1 LEU A 73 4.022 -3.609 3.967 1.00 0.00 C ATOM 1175 CD2 LEU A 73 2.542 -2.587 2.160 1.00 0.00 C ATOM 0 H LEU A 73 3.718 -6.489 1.266 1.00 0.00 H new ATOM 0 HA LEU A 73 3.065 -4.125 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.097 -4.926 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.032 -3.283 1.369 1.00 0.00 H new ATOM 0 HG LEU A 73 2.660 -4.660 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.261 -3.364 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.543 -4.518 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.736 -2.789 3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.790 -2.357 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.211 -1.734 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.050 -2.796 1.210 1.00 0.00 H new ATOM 1187 N ASN A 74 5.853 -5.563 -1.062 1.00 0.00 N ATOM 1188 CA ASN A 74 6.943 -5.475 -2.054 1.00 0.00 C ATOM 1189 C ASN A 74 6.365 -5.345 -3.471 1.00 0.00 C ATOM 1190 O ASN A 74 6.896 -4.609 -4.316 1.00 0.00 O ATOM 1191 CB ASN A 74 7.873 -6.700 -1.990 1.00 0.00 C ATOM 1192 CG ASN A 74 8.644 -6.809 -0.677 1.00 0.00 C ATOM 1193 OD1 ASN A 74 9.762 -6.308 -0.553 1.00 0.00 O ATOM 1194 ND2 ASN A 74 8.072 -7.482 0.304 1.00 0.00 N ATOM 0 H ASN A 74 5.790 -6.459 -0.578 1.00 0.00 H new ATOM 0 HA ASN A 74 7.530 -4.589 -1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.281 -7.604 -2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.582 -6.652 -2.816 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.557 -7.598 1.194 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.145 -7.886 0.172 1.00 0.00 H new ATOM 1201 N ALA A 75 5.256 -6.063 -3.706 1.00 0.00 N ATOM 1202 CA ALA A 75 4.539 -6.032 -4.974 1.00 0.00 C ATOM 1203 C ALA A 75 3.723 -4.717 -5.118 1.00 0.00 C ATOM 1204 O ALA A 75 3.542 -4.213 -6.236 1.00 0.00 O ATOM 1205 CB ALA A 75 3.681 -7.290 -5.096 1.00 0.00 C ATOM 0 H ALA A 75 4.836 -6.682 -3.013 1.00 0.00 H new ATOM 0 HA ALA A 75 5.246 -6.034 -5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.142 -7.272 -6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.321 -8.172 -5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.967 -7.325 -4.273 1.00 0.00 H new ATOM 1211 N ILE A 76 3.253 -4.160 -3.977 1.00 0.00 N ATOM 1212 CA ILE A 76 2.582 -2.831 -3.935 1.00 0.00 C ATOM 1213 C ILE A 76 3.582 -1.703 -4.263 1.00 0.00 C ATOM 1214 O ILE A 76 3.295 -0.822 -5.074 1.00 0.00 O ATOM 1215 CB ILE A 76 1.929 -2.543 -2.519 1.00 0.00 C ATOM 1216 CG1 ILE A 76 0.842 -3.602 -2.179 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.336 -1.104 -2.414 1.00 0.00 C ATOM 1218 CD1 ILE A 76 0.183 -3.428 -0.818 1.00 0.00 C ATOM 0 H ILE A 76 3.325 -4.611 -3.065 1.00 0.00 H new ATOM 0 HA ILE A 76 1.792 -2.855 -4.685 1.00 0.00 H new ATOM 0 HB ILE A 76 2.733 -2.615 -1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.070 -3.569 -2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.294 -4.593 -2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.902 -0.961 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.128 -0.372 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.563 -0.973 -3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.560 -4.212 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.940 -3.494 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.303 -2.454 -0.771 1.00 0.00 H new ATOM 1230 N SER A 77 4.759 -1.757 -3.631 1.00 0.00 N ATOM 1231 CA SER A 77 5.768 -0.688 -3.716 1.00 0.00 C ATOM 1232 C SER A 77 6.392 -0.635 -5.112 1.00 0.00 C ATOM 1233 O SER A 77 6.608 0.451 -5.649 1.00 0.00 O ATOM 1234 CB SER A 77 6.861 -0.880 -2.637 1.00 0.00 C ATOM 1235 OG SER A 77 7.478 -2.153 -2.728 1.00 0.00 O ATOM 0 H SER A 77 5.042 -2.542 -3.045 1.00 0.00 H new ATOM 0 HA SER A 77 5.268 0.263 -3.532 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.617 -0.102 -2.744 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.419 -0.761 -1.648 1.00 0.00 H new ATOM 0 HG SER A 77 7.028 -2.686 -3.416 1.00 0.00 H new ATOM 1241 N ARG A 78 6.639 -1.826 -5.708 1.00 0.00 N ATOM 1242 CA ARG A 78 7.312 -1.937 -7.013 1.00 0.00 C ATOM 1243 C ARG A 78 6.442 -1.348 -8.146 1.00 0.00 C ATOM 1244 O ARG A 78 6.971 -0.725 -9.089 1.00 0.00 O ATOM 1245 CB ARG A 78 7.701 -3.405 -7.332 1.00 0.00 C ATOM 1246 CG ARG A 78 6.528 -4.330 -7.709 1.00 0.00 C ATOM 1247 CD ARG A 78 6.995 -5.721 -8.159 1.00 0.00 C ATOM 1248 NE ARG A 78 7.871 -5.653 -9.349 1.00 0.00 N ATOM 1249 CZ ARG A 78 8.071 -6.647 -10.231 1.00 0.00 C ATOM 1250 NH1 ARG A 78 7.460 -7.819 -10.092 1.00 0.00 N ATOM 1251 NH2 ARG A 78 8.894 -6.459 -11.249 1.00 0.00 N ATOM 0 H ARG A 78 6.379 -2.724 -5.299 1.00 0.00 H new ATOM 0 HA ARG A 78 8.230 -1.353 -6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.419 -3.403 -8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.209 -3.826 -6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.862 -4.434 -6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.949 -3.869 -8.509 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.530 -6.206 -7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.126 -6.340 -8.383 1.00 0.00 H new ATOM 0 HE ARG A 78 8.366 -4.776 -9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.828 -7.975 -9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.623 -8.563 -10.771 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.372 -5.565 -11.360 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.051 -7.208 -11.923 1.00 0.00 H new ATOM 1265 N THR A 79 5.096 -1.523 -8.040 1.00 0.00 N ATOM 1266 CA THR A 79 4.165 -0.992 -9.043 1.00 0.00 C ATOM 1267 C THR A 79 4.001 0.514 -8.819 1.00 0.00 C ATOM 1268 O THR A 79 3.852 1.251 -9.771 1.00 0.00 O ATOM 1269 CB THR A 79 2.764 -1.718 -9.050 1.00 0.00 C ATOM 1270 OG1 THR A 79 2.028 -1.360 -10.229 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.899 -1.384 -7.826 1.00 0.00 C ATOM 0 H THR A 79 4.647 -2.024 -7.274 1.00 0.00 H new ATOM 0 HA THR A 79 4.595 -1.185 -10.026 1.00 0.00 H new ATOM 0 HB THR A 79 2.981 -2.786 -9.027 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.718 -2.173 -10.680 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.950 -1.916 -7.895 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.420 -1.687 -6.918 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.711 -0.311 -7.795 1.00 0.00 H new ATOM 1279 N VAL A 80 4.082 0.951 -7.544 1.00 0.00 N ATOM 1280 CA VAL A 80 3.959 2.373 -7.142 1.00 0.00 C ATOM 1281 C VAL A 80 5.103 3.221 -7.697 1.00 0.00 C ATOM 1282 O VAL A 80 4.878 4.379 -8.047 1.00 0.00 O ATOM 1283 CB VAL A 80 3.853 2.494 -5.560 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.423 3.809 -4.983 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.383 2.307 -5.120 1.00 0.00 C ATOM 0 H VAL A 80 4.236 0.322 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 80 3.040 2.767 -7.575 1.00 0.00 H new ATOM 0 HB VAL A 80 4.478 1.700 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.311 3.809 -3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.479 3.891 -5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.881 4.656 -5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.314 2.391 -4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.764 3.076 -5.583 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.033 1.323 -5.431 1.00 0.00 H new ATOM 1295 N GLU A 81 6.308 2.646 -7.776 1.00 0.00 N ATOM 1296 CA GLU A 81 7.488 3.357 -8.322 1.00 0.00 C ATOM 1297 C GLU A 81 7.365 3.561 -9.856 1.00 0.00 C ATOM 1298 O GLU A 81 7.864 4.553 -10.413 1.00 0.00 O ATOM 1299 CB GLU A 81 8.796 2.601 -7.980 1.00 0.00 C ATOM 1300 CG GLU A 81 9.006 2.271 -6.482 1.00 0.00 C ATOM 1301 CD GLU A 81 8.825 3.477 -5.535 1.00 0.00 C ATOM 1302 OE1 GLU A 81 9.801 4.213 -5.279 1.00 0.00 O ATOM 1303 OE2 GLU A 81 7.701 3.707 -5.053 1.00 0.00 O ATOM 0 H GLU A 81 6.500 1.692 -7.471 1.00 0.00 H new ATOM 0 HA GLU A 81 7.525 4.340 -7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.814 1.669 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.640 3.199 -8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.305 1.488 -6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.009 1.866 -6.348 1.00 0.00 H new ATOM 1310 N GLN A 82 6.716 2.598 -10.520 1.00 0.00 N ATOM 1311 CA GLN A 82 6.407 2.665 -11.972 1.00 0.00 C ATOM 1312 C GLN A 82 5.264 3.663 -12.232 1.00 0.00 C ATOM 1313 O GLN A 82 5.371 4.547 -13.093 1.00 0.00 O ATOM 1314 CB GLN A 82 6.044 1.250 -12.488 1.00 0.00 C ATOM 1315 CG GLN A 82 5.570 1.168 -13.959 1.00 0.00 C ATOM 1316 CD GLN A 82 6.584 1.684 -14.998 1.00 0.00 C ATOM 1317 OE1 GLN A 82 7.801 1.608 -14.801 1.00 0.00 O ATOM 1318 NE2 GLN A 82 6.082 2.190 -16.120 1.00 0.00 N ATOM 0 H GLN A 82 6.385 1.743 -10.073 1.00 0.00 H new ATOM 0 HA GLN A 82 7.284 3.019 -12.514 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.916 0.607 -12.371 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.260 0.842 -11.850 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.331 0.130 -14.191 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.647 1.738 -14.060 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.072 2.238 -16.250 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.707 2.530 -16.851 1.00 0.00 H new ATOM 1327 N LEU A 83 4.193 3.518 -11.438 1.00 0.00 N ATOM 1328 CA LEU A 83 3.007 4.391 -11.467 1.00 0.00 C ATOM 1329 C LEU A 83 3.397 5.827 -11.107 1.00 0.00 C ATOM 1330 O LEU A 83 2.760 6.767 -11.550 1.00 0.00 O ATOM 1331 CB LEU A 83 1.931 3.866 -10.467 1.00 0.00 C ATOM 1332 CG LEU A 83 1.230 2.521 -10.836 1.00 0.00 C ATOM 1333 CD1 LEU A 83 0.307 2.037 -9.696 1.00 0.00 C ATOM 1334 CD2 LEU A 83 0.471 2.638 -12.173 1.00 0.00 C ATOM 0 H LEU A 83 4.124 2.775 -10.742 1.00 0.00 H new ATOM 0 HA LEU A 83 2.591 4.381 -12.474 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.402 3.748 -9.491 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.163 4.632 -10.360 1.00 0.00 H new ATOM 0 HG LEU A 83 2.005 1.766 -10.966 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.166 1.098 -9.984 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.896 1.884 -8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.461 2.787 -9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.007 1.686 -12.404 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.288 3.416 -12.093 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.171 2.895 -12.968 1.00 0.00 H new ATOM 1346 N LYS A 84 4.444 5.962 -10.271 1.00 0.00 N ATOM 1347 CA LYS A 84 4.996 7.260 -9.832 1.00 0.00 C ATOM 1348 C LYS A 84 5.432 8.081 -11.050 1.00 0.00 C ATOM 1349 O LYS A 84 5.126 9.277 -11.176 1.00 0.00 O ATOM 1350 CB LYS A 84 6.225 7.003 -8.924 1.00 0.00 C ATOM 1351 CG LYS A 84 6.671 8.181 -8.035 1.00 0.00 C ATOM 1352 CD LYS A 84 5.986 8.164 -6.657 1.00 0.00 C ATOM 1353 CE LYS A 84 6.264 6.865 -5.869 1.00 0.00 C ATOM 1354 NZ LYS A 84 7.711 6.644 -5.596 1.00 0.00 N ATOM 0 H LYS A 84 4.938 5.162 -9.875 1.00 0.00 H new ATOM 0 HA LYS A 84 4.233 7.812 -9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.003 6.152 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.064 6.714 -9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.752 8.144 -7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.444 9.120 -8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.330 9.018 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.910 8.281 -6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.723 6.898 -4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.873 6.016 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.831 5.767 -5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.226 6.566 -6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.088 7.445 -5.050 1.00 0.00 H new ATOM 1368 N ALA A 85 6.136 7.371 -11.948 1.00 0.00 N ATOM 1369 CA ALA A 85 6.687 7.921 -13.187 1.00 0.00 C ATOM 1370 C ALA A 85 5.552 8.301 -14.148 1.00 0.00 C ATOM 1371 O ALA A 85 5.496 9.428 -14.639 1.00 0.00 O ATOM 1372 CB ALA A 85 7.656 6.895 -13.811 1.00 0.00 C ATOM 0 H ALA A 85 6.339 6.379 -11.825 1.00 0.00 H new ATOM 0 HA ALA A 85 7.247 8.832 -12.976 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.069 7.300 -14.735 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.466 6.687 -13.112 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.118 5.972 -14.028 1.00 0.00 H new ATOM 1378 N GLU A 86 4.623 7.363 -14.346 1.00 0.00 N ATOM 1379 CA GLU A 86 3.497 7.510 -15.290 1.00 0.00 C ATOM 1380 C GLU A 86 2.483 8.587 -14.832 1.00 0.00 C ATOM 1381 O GLU A 86 1.872 9.259 -15.666 1.00 0.00 O ATOM 1382 CB GLU A 86 2.790 6.146 -15.437 1.00 0.00 C ATOM 1383 CG GLU A 86 3.720 5.012 -15.914 1.00 0.00 C ATOM 1384 CD GLU A 86 3.099 3.610 -15.811 1.00 0.00 C ATOM 1385 OE1 GLU A 86 2.687 3.223 -14.704 1.00 0.00 O ATOM 1386 OE2 GLU A 86 3.074 2.867 -16.821 1.00 0.00 O ATOM 0 H GLU A 86 4.625 6.469 -13.854 1.00 0.00 H new ATOM 0 HA GLU A 86 3.897 7.839 -16.249 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.355 5.867 -14.477 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.966 6.249 -16.143 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.001 5.198 -16.950 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.637 5.036 -15.325 1.00 0.00 H new ATOM 1393 N SER A 87 2.302 8.725 -13.505 1.00 0.00 N ATOM 1394 CA SER A 87 1.378 9.720 -12.904 1.00 0.00 C ATOM 1395 C SER A 87 1.988 11.134 -12.992 1.00 0.00 C ATOM 1396 O SER A 87 1.255 12.130 -13.080 1.00 0.00 O ATOM 1397 CB SER A 87 1.062 9.344 -11.433 1.00 0.00 C ATOM 1398 OG SER A 87 0.137 10.232 -10.812 1.00 0.00 O ATOM 0 H SER A 87 2.789 8.153 -12.815 1.00 0.00 H new ATOM 0 HA SER A 87 0.443 9.715 -13.463 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.660 8.331 -11.402 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.989 9.336 -10.860 1.00 0.00 H new ATOM 0 HG SER A 87 -0.024 9.944 -9.889 1.00 0.00 H new ATOM 1404 N ALA A 88 3.337 11.204 -12.959 1.00 0.00 N ATOM 1405 CA ALA A 88 4.092 12.452 -13.194 1.00 0.00 C ATOM 1406 C ALA A 88 3.993 12.863 -14.677 1.00 0.00 C ATOM 1407 O ALA A 88 3.973 14.057 -15.006 1.00 0.00 O ATOM 1408 CB ALA A 88 5.565 12.268 -12.773 1.00 0.00 C ATOM 0 H ALA A 88 3.931 10.397 -12.769 1.00 0.00 H new ATOM 0 HA ALA A 88 3.659 13.248 -12.589 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.112 13.194 -12.950 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.612 12.016 -11.714 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.013 11.464 -13.357 1.00 0.00 H new ATOM 1414 N LEU A 89 3.939 11.848 -15.568 1.00 0.00 N ATOM 1415 CA LEU A 89 3.786 12.048 -17.025 1.00 0.00 C ATOM 1416 C LEU A 89 2.307 12.272 -17.419 1.00 0.00 C ATOM 1417 O LEU A 89 2.024 12.647 -18.560 1.00 0.00 O ATOM 1418 CB LEU A 89 4.369 10.829 -17.806 1.00 0.00 C ATOM 1419 CG LEU A 89 5.891 10.543 -17.613 1.00 0.00 C ATOM 1420 CD1 LEU A 89 6.335 9.277 -18.380 1.00 0.00 C ATOM 1421 CD2 LEU A 89 6.753 11.769 -17.996 1.00 0.00 C ATOM 0 H LEU A 89 4.000 10.867 -15.296 1.00 0.00 H new ATOM 0 HA LEU A 89 4.343 12.946 -17.293 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.814 9.938 -17.512 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.183 10.984 -18.869 1.00 0.00 H new ATOM 0 HG LEU A 89 6.051 10.351 -16.552 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.400 9.110 -18.221 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.775 8.416 -18.016 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.143 9.411 -19.445 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.807 11.533 -17.849 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.580 12.023 -19.042 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.480 12.617 -17.367 1.00 0.00 H new ATOM 1433 N GLU A 90 1.366 12.018 -16.487 1.00 0.00 N ATOM 1434 CA GLU A 90 -0.072 12.194 -16.742 1.00 0.00 C ATOM 1435 C GLU A 90 -0.441 13.694 -16.674 1.00 0.00 C ATOM 1436 CB GLU A 90 -0.923 11.351 -15.748 1.00 0.00 C ATOM 1437 CG GLU A 90 -2.447 11.384 -16.011 1.00 0.00 C ATOM 1438 CD GLU A 90 -2.826 10.765 -17.370 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -2.992 9.521 -17.449 1.00 0.00 O ATOM 1440 OE2 GLU A 90 -2.959 11.510 -18.370 1.00 0.00 O ATOM 0 H GLU A 90 1.582 11.688 -15.546 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.297 11.832 -17.745 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.584 10.316 -15.788 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.735 11.709 -14.736 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.961 10.846 -15.215 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.796 12.416 -15.976 1.00 0.00 H new TER 1447 GLU A 90 HETATM 1448 P24 PNS A 101 -14.058 -0.699 -4.166 1.00 23.43 P HETATM 1449 O25 PNS A 101 -15.198 0.243 -4.304 1.00 52.40 O HETATM 1450 O26 PNS A 101 -12.784 -0.087 -3.697 1.00 73.41 O HETATM 1451 O27 PNS A 101 -13.792 -1.427 -5.563 1.00 24.15 O HETATM 1452 C28 PNS A 101 -12.465 -1.454 -6.098 1.00 63.30 C HETATM 1453 C29 PNS A 101 -12.171 -2.785 -6.800 1.00 35.35 C HETATM 1454 C30 PNS A 101 -13.178 -3.018 -7.936 1.00 31.44 C HETATM 1455 C31 PNS A 101 -12.307 -3.903 -5.762 1.00 15.31 C HETATM 1456 C32 PNS A 101 -10.757 -2.740 -7.385 1.00 31.21 C HETATM 1457 O33 PNS A 101 -9.804 -2.579 -6.314 1.00 72.33 O HETATM 1458 C34 PNS A 101 -10.411 -4.041 -8.156 1.00 54.52 C HETATM 1459 O35 PNS A 101 -10.463 -4.100 -9.387 1.00 44.23 O HETATM 1460 N36 PNS A 101 -10.018 -5.037 -7.386 1.00 43.01 N HETATM 1461 C37 PNS A 101 -9.641 -6.392 -7.796 1.00 11.14 C HETATM 1462 C38 PNS A 101 -8.623 -6.970 -6.825 1.00 25.21 C HETATM 1463 C39 PNS A 101 -9.108 -6.951 -5.368 1.00 51.14 C HETATM 1464 O40 PNS A 101 -9.623 -7.945 -4.838 1.00 22.31 O HETATM 1465 N41 PNS A 101 -8.927 -5.773 -4.730 1.00 62.32 N HETATM 1466 C42 PNS A 101 -9.318 -5.465 -3.342 1.00 12.32 C HETATM 1467 C43 PNS A 101 -8.325 -4.497 -2.680 1.00 65.22 C HETATM 1468 S44 PNS A 101 -6.660 -5.195 -2.682 1.00 11.11 S HETATM 0 H432 PNS A 101 -8.327 -3.546 -3.212 1.00 65.22 H new HETATM 0 H431 PNS A 101 -8.637 -4.291 -1.656 1.00 65.22 H new HETATM 0 H422 PNS A 101 -9.369 -6.388 -2.764 1.00 12.32 H new HETATM 0 H421 PNS A 101 -10.316 -5.027 -3.332 1.00 12.32 H new HETATM 0 H382 PNS A 101 -7.694 -6.404 -6.901 1.00 25.21 H new HETATM 0 H381 PNS A 101 -8.396 -7.996 -7.113 1.00 25.21 H new HETATM 0 H372 PNS A 101 -9.224 -6.372 -8.803 1.00 11.14 H new HETATM 0 H371 PNS A 101 -10.525 -7.029 -7.830 1.00 11.14 H new HETATM 0 H313 PNS A 101 -12.103 -4.864 -6.234 1.00 15.31 H new HETATM 0 H312 PNS A 101 -13.320 -3.904 -5.359 1.00 15.31 H new HETATM 0 H311 PNS A 101 -11.595 -3.737 -4.953 1.00 15.31 H new HETATM 0 H303 PNS A 101 -12.959 -3.966 -8.427 1.00 31.44 H new HETATM 0 H302 PNS A 101 -13.102 -2.208 -8.661 1.00 31.44 H new HETATM 0 H301 PNS A 101 -14.188 -3.046 -7.527 1.00 31.44 H new HETATM 0 H282 PNS A 101 -11.744 -1.297 -5.295 1.00 63.30 H new HETATM 0 H281 PNS A 101 -12.339 -0.633 -6.804 1.00 63.30 H new HETATM 0 H44 PNS A 101 -5.821 -4.315 -3.141 1.00 11.11 H new HETATM 0 H41 PNS A 101 -8.477 -5.026 -5.259 1.00 62.32 H new HETATM 0 H36 PNS A 101 -9.971 -4.841 -6.386 1.00 43.01 H new HETATM 0 H33 PNS A 101 -9.410 -1.683 -6.359 1.00 72.33 H new HETATM 0 H32 PNS A 101 -10.713 -1.902 -8.080 1.00 31.21 H new