USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 590 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.233! (180deg=-0.118!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 91:sc= 0.55! USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 50:sc= 0.953 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.282 F(o=-1.5!,f=-0.28) USER MOD Single : A 20 THR OG1 : rot -75:sc= 0.354 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.551 F(o=-3.2!,f=-0.55) USER MOD Single : A 30 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.36) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -1.53! C(o=-4.4!,f=-1.5!) USER MOD Single : A 37 SER OG : rot -150:sc= -0.313 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= -0.0637 (180deg=-0.482) USER MOD Single : A 43 ASN : amide:sc= -0.233 K(o=-0.23,f=-3.4!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 101:sc= 0.00998 USER MOD Single : A 64 LYS NZ :NH3+ -117:sc= 0.104 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -66:sc= 0.485! USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.418 23.028 5.141 1.00 0.00 N ATOM 2 CA MET A 1 1.084 22.041 6.023 1.00 0.00 C ATOM 3 C MET A 1 1.001 20.652 5.407 1.00 0.00 C ATOM 4 O MET A 1 0.311 19.787 5.909 1.00 0.00 O ATOM 5 CB MET A 1 0.388 22.009 7.392 1.00 0.00 C ATOM 6 CG MET A 1 0.537 23.377 8.061 1.00 0.00 C ATOM 7 SD MET A 1 -0.095 24.817 7.161 1.00 0.00 S ATOM 8 CE MET A 1 -1.728 24.873 7.938 1.00 0.00 C ATOM 0 H1 MET A 1 0.192 23.884 5.687 1.00 0.00 H new ATOM 0 H2 MET A 1 1.053 23.276 4.356 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.459 22.618 4.761 1.00 0.00 H new ATOM 0 HA MET A 1 2.128 22.333 6.142 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.667 21.762 7.272 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.828 21.234 8.019 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.034 23.336 9.027 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.596 23.542 8.259 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.300 25.703 7.524 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.255 23.938 7.746 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.615 25.011 9.013 1.00 0.00 H new ATOM 17 N SER A 2 1.708 20.462 4.327 1.00 0.00 N ATOM 18 CA SER A 2 1.684 19.136 3.664 1.00 0.00 C ATOM 19 C SER A 2 0.251 18.686 3.402 1.00 0.00 C ATOM 20 O SER A 2 -0.345 18.000 4.208 1.00 0.00 O ATOM 21 CB SER A 2 2.362 18.116 4.592 1.00 0.00 C ATOM 22 OG SER A 2 3.552 18.768 5.014 1.00 0.00 O ATOM 0 H SER A 2 2.297 21.165 3.880 1.00 0.00 H new ATOM 0 HA SER A 2 2.207 19.206 2.710 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.725 17.863 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.582 17.185 4.069 1.00 0.00 H new ATOM 0 HG SER A 2 4.051 18.180 5.619 1.00 0.00 H new ATOM 28 N LYS A 3 -0.277 19.082 2.275 1.00 0.00 N ATOM 29 CA LYS A 3 -1.668 18.687 1.945 1.00 0.00 C ATOM 30 C LYS A 3 -1.763 17.184 1.714 1.00 0.00 C ATOM 31 O LYS A 3 -1.892 16.420 2.650 1.00 0.00 O ATOM 32 CB LYS A 3 -2.081 19.412 0.656 1.00 0.00 C ATOM 33 CG LYS A 3 -2.196 20.912 0.938 1.00 0.00 C ATOM 34 CD LYS A 3 -2.702 21.622 -0.319 1.00 0.00 C ATOM 35 CE LYS A 3 -2.717 23.132 -0.070 1.00 0.00 C ATOM 36 NZ LYS A 3 -3.039 23.866 -1.327 1.00 0.00 N ATOM 0 H LYS A 3 0.194 19.657 1.576 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.323 18.955 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -1.346 19.232 -0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.033 19.023 0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.879 21.087 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.227 21.314 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.060 21.387 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.703 21.273 -0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.453 23.373 0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.746 23.454 0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.045 24.889 -1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.322 23.650 -2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.975 23.572 -1.671 1.00 0.00 H new ATOM 50 N GLU A 4 -1.699 16.793 0.461 1.00 0.00 N ATOM 51 CA GLU A 4 -1.783 15.343 0.125 1.00 0.00 C ATOM 52 C GLU A 4 -0.524 14.888 -0.603 1.00 0.00 C ATOM 53 O GLU A 4 0.432 14.461 0.014 1.00 0.00 O ATOM 54 CB GLU A 4 -2.992 15.132 -0.800 1.00 0.00 C ATOM 55 CG GLU A 4 -4.279 15.305 0.010 1.00 0.00 C ATOM 56 CD GLU A 4 -4.432 14.128 0.975 1.00 0.00 C ATOM 57 OE1 GLU A 4 -3.914 14.256 2.072 1.00 0.00 O ATOM 58 OE2 GLU A 4 -5.057 13.166 0.560 1.00 0.00 O ATOM 0 H GLU A 4 -1.592 17.418 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.886 14.766 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.966 15.848 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.957 14.137 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.250 16.243 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.139 15.356 -0.658 1.00 0.00 H new ATOM 65 N ASP A 5 -0.545 14.988 -1.904 1.00 0.00 N ATOM 66 CA ASP A 5 0.643 14.566 -2.685 1.00 0.00 C ATOM 67 C ASP A 5 1.574 15.746 -2.929 1.00 0.00 C ATOM 68 O ASP A 5 2.389 15.721 -3.829 1.00 0.00 O ATOM 69 CB ASP A 5 0.165 14.023 -4.041 1.00 0.00 C ATOM 70 CG ASP A 5 -0.894 12.944 -3.810 1.00 0.00 C ATOM 71 OD1 ASP A 5 -0.483 11.804 -3.673 1.00 0.00 O ATOM 72 OD2 ASP A 5 -2.053 13.322 -3.784 1.00 0.00 O ATOM 0 H ASP A 5 -1.329 15.341 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 5 1.185 13.802 -2.127 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.249 14.831 -4.644 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.006 13.609 -4.597 1.00 0.00 H new ATOM 77 N SER A 6 1.434 16.761 -2.120 1.00 0.00 N ATOM 78 CA SER A 6 2.301 17.952 -2.287 1.00 0.00 C ATOM 79 C SER A 6 3.757 17.611 -2.001 1.00 0.00 C ATOM 80 O SER A 6 4.095 16.467 -1.770 1.00 0.00 O ATOM 81 CB SER A 6 1.841 19.027 -1.291 1.00 0.00 C ATOM 82 OG SER A 6 2.852 20.022 -1.363 1.00 0.00 O ATOM 0 H SER A 6 0.760 16.813 -1.356 1.00 0.00 H new ATOM 0 HA SER A 6 2.223 18.307 -3.315 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.865 19.430 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.750 18.623 -0.283 1.00 0.00 H new ATOM 0 HG SER A 6 2.610 20.686 -2.042 1.00 0.00 H new ATOM 88 N PHE A 7 4.596 18.612 -2.021 1.00 0.00 N ATOM 89 CA PHE A 7 6.033 18.359 -1.753 1.00 0.00 C ATOM 90 C PHE A 7 6.741 19.642 -1.328 1.00 0.00 C ATOM 91 O PHE A 7 6.548 20.684 -1.922 1.00 0.00 O ATOM 92 CB PHE A 7 6.679 17.839 -3.043 1.00 0.00 C ATOM 93 CG PHE A 7 7.659 16.718 -2.700 1.00 0.00 C ATOM 94 CD1 PHE A 7 7.194 15.453 -2.387 1.00 0.00 C ATOM 95 CD2 PHE A 7 9.024 16.951 -2.701 1.00 0.00 C ATOM 96 CE1 PHE A 7 8.079 14.440 -2.078 1.00 0.00 C ATOM 97 CE2 PHE A 7 9.906 15.936 -2.393 1.00 0.00 C ATOM 98 CZ PHE A 7 9.433 14.682 -2.081 1.00 0.00 C ATOM 0 H PHE A 7 4.348 19.583 -2.210 1.00 0.00 H new ATOM 0 HA PHE A 7 6.123 17.630 -0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 7 5.912 17.471 -3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.199 18.649 -3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.132 15.257 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.400 17.934 -2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.708 13.456 -1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.969 16.126 -2.397 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.124 13.888 -1.839 1.00 0.00 H new ATOM 108 N GLU A 8 7.552 19.534 -0.301 1.00 0.00 N ATOM 109 CA GLU A 8 8.289 20.730 0.192 1.00 0.00 C ATOM 110 C GLU A 8 9.769 20.647 -0.167 1.00 0.00 C ATOM 111 O GLU A 8 10.379 19.602 -0.064 1.00 0.00 O ATOM 112 CB GLU A 8 8.161 20.774 1.721 1.00 0.00 C ATOM 113 CG GLU A 8 7.873 19.365 2.241 1.00 0.00 C ATOM 114 CD GLU A 8 8.044 19.343 3.762 1.00 0.00 C ATOM 115 OE1 GLU A 8 8.413 20.384 4.280 1.00 0.00 O ATOM 116 OE2 GLU A 8 7.796 18.287 4.318 1.00 0.00 O ATOM 0 H GLU A 8 7.731 18.671 0.212 1.00 0.00 H new ATOM 0 HA GLU A 8 7.867 21.622 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.080 21.158 2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.359 21.453 2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.860 19.066 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.550 18.648 1.777 1.00 0.00 H new ATOM 123 N MET A 9 10.320 21.757 -0.582 1.00 0.00 N ATOM 124 CA MET A 9 11.758 21.765 -0.952 1.00 0.00 C ATOM 125 C MET A 9 12.307 23.188 -0.945 1.00 0.00 C ATOM 126 O MET A 9 11.713 24.088 -1.504 1.00 0.00 O ATOM 127 CB MET A 9 11.900 21.184 -2.368 1.00 0.00 C ATOM 128 CG MET A 9 13.322 20.643 -2.548 1.00 0.00 C ATOM 129 SD MET A 9 13.974 19.564 -1.248 1.00 0.00 S ATOM 130 CE MET A 9 13.199 18.029 -1.813 1.00 0.00 C ATOM 0 H MET A 9 9.837 22.650 -0.679 1.00 0.00 H new ATOM 0 HA MET A 9 12.317 21.170 -0.230 1.00 0.00 H new ATOM 0 HB2 MET A 9 11.172 20.387 -2.522 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.693 21.953 -3.112 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.357 20.095 -3.490 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.996 21.494 -2.649 1.00 0.00 H new ATOM 0 HE1 MET A 9 13.473 17.215 -1.142 1.00 0.00 H new ATOM 0 HE2 MET A 9 12.116 18.148 -1.816 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.542 17.798 -2.822 1.00 0.00 H new ATOM 140 N GLU A 10 13.435 23.365 -0.310 1.00 0.00 N ATOM 141 CA GLU A 10 14.037 24.721 -0.255 1.00 0.00 C ATOM 142 C GLU A 10 14.511 25.163 -1.631 1.00 0.00 C ATOM 143 O GLU A 10 14.938 24.357 -2.434 1.00 0.00 O ATOM 144 CB GLU A 10 15.249 24.677 0.691 1.00 0.00 C ATOM 145 CG GLU A 10 14.866 23.932 1.973 1.00 0.00 C ATOM 146 CD GLU A 10 16.133 23.595 2.760 1.00 0.00 C ATOM 147 OE1 GLU A 10 17.194 23.799 2.192 1.00 0.00 O ATOM 148 OE2 GLU A 10 15.969 23.152 3.885 1.00 0.00 O ATOM 0 H GLU A 10 13.960 22.633 0.169 1.00 0.00 H new ATOM 0 HA GLU A 10 13.285 25.426 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.087 24.178 0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.576 25.689 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.200 24.546 2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.323 23.019 1.728 1.00 0.00 H new ATOM 155 N GLY A 11 14.428 26.441 -1.880 1.00 0.00 N ATOM 156 CA GLY A 11 14.870 26.963 -3.200 1.00 0.00 C ATOM 157 C GLY A 11 15.125 28.459 -3.084 1.00 0.00 C ATOM 158 O GLY A 11 14.734 29.073 -2.110 1.00 0.00 O ATOM 0 H GLY A 11 14.075 27.142 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.777 26.451 -3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.108 26.769 -3.955 1.00 0.00 H new ATOM 162 N THR A 12 15.768 29.018 -4.074 1.00 0.00 N ATOM 163 CA THR A 12 16.050 30.474 -4.028 1.00 0.00 C ATOM 164 C THR A 12 15.134 31.211 -4.980 1.00 0.00 C ATOM 165 O THR A 12 14.700 30.657 -5.965 1.00 0.00 O ATOM 166 CB THR A 12 17.499 30.702 -4.465 1.00 0.00 C ATOM 167 OG1 THR A 12 18.282 29.912 -3.593 1.00 0.00 O ATOM 168 CG2 THR A 12 17.931 32.144 -4.173 1.00 0.00 C ATOM 0 H THR A 12 16.106 28.531 -4.904 1.00 0.00 H new ATOM 0 HA THR A 12 15.888 30.844 -3.015 1.00 0.00 H new ATOM 0 HB THR A 12 17.607 30.476 -5.526 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.229 30.012 -3.823 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.964 32.286 -4.491 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.286 32.834 -4.717 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.851 32.338 -3.103 1.00 0.00 H new ATOM 176 N VAL A 13 14.863 32.453 -4.678 1.00 0.00 N ATOM 177 CA VAL A 13 13.946 33.246 -5.599 1.00 0.00 C ATOM 178 C VAL A 13 14.702 34.255 -6.437 1.00 0.00 C ATOM 179 O VAL A 13 15.019 35.312 -5.960 1.00 0.00 O ATOM 180 CB VAL A 13 12.971 34.078 -4.743 1.00 0.00 C ATOM 181 CG1 VAL A 13 11.936 34.725 -5.662 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.256 33.172 -3.739 1.00 0.00 C ATOM 0 H VAL A 13 15.216 32.955 -3.863 1.00 0.00 H new ATOM 0 HA VAL A 13 13.449 32.520 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 13 13.525 34.845 -4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.240 35.317 -5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.441 35.372 -6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.388 33.949 -6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.569 33.767 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.698 32.404 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.991 32.699 -3.088 1.00 0.00 H new ATOM 192 N VAL A 14 14.931 33.954 -7.700 1.00 0.00 N ATOM 193 CA VAL A 14 15.655 34.921 -8.514 1.00 0.00 C ATOM 194 C VAL A 14 15.111 34.924 -9.926 1.00 0.00 C ATOM 195 O VAL A 14 15.586 34.255 -10.820 1.00 0.00 O ATOM 196 CB VAL A 14 17.131 34.506 -8.526 1.00 0.00 C ATOM 197 CG1 VAL A 14 17.995 35.723 -8.187 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.361 33.410 -7.478 1.00 0.00 C ATOM 0 H VAL A 14 14.645 33.095 -8.170 1.00 0.00 H new ATOM 0 HA VAL A 14 15.541 35.924 -8.103 1.00 0.00 H new ATOM 0 HB VAL A 14 17.399 34.127 -9.512 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.046 35.436 -8.193 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.828 36.505 -8.927 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.727 36.096 -7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.410 33.114 -7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.098 33.790 -6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 14 16.739 32.546 -7.712 1.00 0.00 H new ATOM 208 N ASP A 15 14.114 35.696 -10.053 1.00 0.00 N ATOM 209 CA ASP A 15 13.408 35.880 -11.335 1.00 0.00 C ATOM 210 C ASP A 15 12.189 36.722 -11.067 1.00 0.00 C ATOM 211 O ASP A 15 11.526 36.496 -10.076 1.00 0.00 O ATOM 212 CB ASP A 15 12.952 34.549 -11.869 1.00 0.00 C ATOM 213 CG ASP A 15 12.002 34.794 -13.037 1.00 0.00 C ATOM 214 OD1 ASP A 15 12.518 34.951 -14.131 1.00 0.00 O ATOM 215 OD2 ASP A 15 10.817 34.807 -12.771 1.00 0.00 O ATOM 0 H ASP A 15 13.727 36.244 -9.285 1.00 0.00 H new ATOM 0 HA ASP A 15 14.072 36.351 -12.060 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.808 33.959 -12.195 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.451 33.979 -11.087 1.00 0.00 H new ATOM 220 N THR A 16 11.880 37.641 -11.933 1.00 0.00 N ATOM 221 CA THR A 16 10.675 38.486 -11.682 1.00 0.00 C ATOM 222 C THR A 16 9.646 38.369 -12.791 1.00 0.00 C ATOM 223 O THR A 16 9.913 38.679 -13.936 1.00 0.00 O ATOM 224 CB THR A 16 11.122 39.944 -11.583 1.00 0.00 C ATOM 225 OG1 THR A 16 11.789 40.216 -12.800 1.00 0.00 O ATOM 226 CG2 THR A 16 12.202 40.113 -10.504 1.00 0.00 C ATOM 0 H THR A 16 12.395 37.845 -12.789 1.00 0.00 H new ATOM 0 HA THR A 16 10.209 38.142 -10.759 1.00 0.00 H new ATOM 0 HB THR A 16 10.263 40.579 -11.366 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.231 39.925 -13.551 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.504 41.159 -10.452 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.803 39.802 -9.538 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.066 39.498 -10.755 1.00 0.00 H new ATOM 234 N LEU A 17 8.478 37.917 -12.409 1.00 0.00 N ATOM 235 CA LEU A 17 7.374 37.753 -13.383 1.00 0.00 C ATOM 236 C LEU A 17 6.278 38.782 -13.063 1.00 0.00 C ATOM 237 O LEU A 17 6.336 39.434 -12.031 1.00 0.00 O ATOM 238 CB LEU A 17 6.813 36.338 -13.216 1.00 0.00 C ATOM 239 CG LEU A 17 7.798 35.327 -13.803 1.00 0.00 C ATOM 240 CD1 LEU A 17 7.141 33.969 -13.822 1.00 0.00 C ATOM 241 CD2 LEU A 17 8.163 35.713 -15.240 1.00 0.00 C ATOM 0 H LEU A 17 8.247 37.654 -11.451 1.00 0.00 H new ATOM 0 HA LEU A 17 7.724 37.904 -14.404 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.642 36.125 -12.161 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.849 36.256 -13.718 1.00 0.00 H new ATOM 0 HG LEU A 17 8.702 35.313 -13.194 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.832 33.236 -14.239 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.874 33.679 -12.806 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.241 34.009 -14.436 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.865 34.984 -15.645 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.262 35.728 -15.853 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.622 36.701 -15.246 1.00 0.00 H new ATOM 253 N PRO A 18 5.248 38.878 -13.902 1.00 0.00 N ATOM 254 CA PRO A 18 4.191 39.836 -13.644 1.00 0.00 C ATOM 255 C PRO A 18 3.045 39.167 -12.924 1.00 0.00 C ATOM 256 O PRO A 18 2.857 37.972 -13.027 1.00 0.00 O ATOM 257 CB PRO A 18 3.711 40.239 -15.051 1.00 0.00 C ATOM 258 CG PRO A 18 4.241 39.145 -16.035 1.00 0.00 C ATOM 259 CD PRO A 18 5.173 38.225 -15.221 1.00 0.00 C ATOM 0 HA PRO A 18 4.530 40.673 -13.033 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.623 40.298 -15.087 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.093 41.223 -15.324 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.415 38.577 -16.463 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.778 39.601 -16.867 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.771 37.215 -15.145 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.157 38.143 -15.683 1.00 0.00 H new ATOM 267 N ASN A 19 2.309 39.958 -12.191 1.00 0.00 N ATOM 268 CA ASN A 19 1.169 39.409 -11.438 1.00 0.00 C ATOM 269 C ASN A 19 1.714 38.737 -10.183 1.00 0.00 C ATOM 270 O ASN A 19 1.393 37.609 -9.876 1.00 0.00 O ATOM 271 CB ASN A 19 0.420 38.380 -12.313 1.00 0.00 C ATOM 272 CG ASN A 19 -1.076 38.459 -12.009 1.00 0.00 C ATOM 273 OD1 ASN A 19 -1.614 39.627 -11.779 1.00 0.00 O flip ATOM 274 ND2 ASN A 19 -1.769 37.462 -11.977 1.00 0.00 N flip ATOM 0 H ASN A 19 2.456 40.962 -12.087 1.00 0.00 H new ATOM 0 HA ASN A 19 0.472 40.201 -11.163 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.600 38.582 -13.369 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.792 37.375 -12.113 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.355 36.547 -12.156 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.765 37.540 -11.771 1.00 0.00 H new ATOM 281 N THR A 20 2.575 39.468 -9.500 1.00 0.00 N ATOM 282 CA THR A 20 3.202 38.960 -8.252 1.00 0.00 C ATOM 283 C THR A 20 3.693 37.534 -8.428 1.00 0.00 C ATOM 284 O THR A 20 3.290 36.638 -7.714 1.00 0.00 O ATOM 285 CB THR A 20 2.192 39.050 -7.072 1.00 0.00 C ATOM 286 OG1 THR A 20 2.773 38.294 -6.030 1.00 0.00 O ATOM 287 CG2 THR A 20 0.861 38.329 -7.364 1.00 0.00 C ATOM 0 H THR A 20 2.866 40.408 -9.768 1.00 0.00 H new ATOM 0 HA THR A 20 4.066 39.584 -8.024 1.00 0.00 H new ATOM 0 HB THR A 20 1.996 40.102 -6.864 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.677 37.339 -6.226 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.198 38.427 -6.504 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.389 38.776 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.053 37.273 -7.556 1.00 0.00 H new ATOM 295 N MET A 21 4.575 37.355 -9.395 1.00 0.00 N ATOM 296 CA MET A 21 5.126 35.987 -9.652 1.00 0.00 C ATOM 297 C MET A 21 6.652 36.031 -9.746 1.00 0.00 C ATOM 298 O MET A 21 7.222 37.060 -10.052 1.00 0.00 O ATOM 299 CB MET A 21 4.562 35.481 -10.998 1.00 0.00 C ATOM 300 CG MET A 21 3.141 34.930 -10.795 1.00 0.00 C ATOM 301 SD MET A 21 2.610 33.585 -11.888 1.00 0.00 S ATOM 302 CE MET A 21 0.855 34.023 -11.957 1.00 0.00 C ATOM 0 H MET A 21 4.929 38.090 -10.007 1.00 0.00 H new ATOM 0 HA MET A 21 4.842 35.326 -8.834 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.546 36.294 -11.724 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.209 34.703 -11.404 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.058 34.582 -9.766 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.439 35.756 -10.910 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.327 33.310 -12.590 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.434 33.997 -10.952 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.746 35.026 -12.370 1.00 0.00 H new ATOM 312 N PHE A 22 7.292 34.914 -9.483 1.00 0.00 N ATOM 313 CA PHE A 22 8.762 34.891 -9.556 1.00 0.00 C ATOM 314 C PHE A 22 9.224 33.466 -9.829 1.00 0.00 C ATOM 315 O PHE A 22 8.485 32.534 -9.578 1.00 0.00 O ATOM 316 CB PHE A 22 9.312 35.336 -8.188 1.00 0.00 C ATOM 317 CG PHE A 22 8.574 36.597 -7.730 1.00 0.00 C ATOM 318 CD1 PHE A 22 7.359 36.500 -7.073 1.00 0.00 C ATOM 319 CD2 PHE A 22 9.114 37.851 -7.960 1.00 0.00 C ATOM 320 CE1 PHE A 22 6.699 37.636 -6.654 1.00 0.00 C ATOM 321 CE2 PHE A 22 8.450 38.986 -7.539 1.00 0.00 C ATOM 322 CZ PHE A 22 7.243 38.877 -6.888 1.00 0.00 C ATOM 0 H PHE A 22 6.851 34.031 -9.224 1.00 0.00 H new ATOM 0 HA PHE A 22 9.115 35.551 -10.349 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.183 34.539 -7.455 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.382 35.533 -8.260 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.925 35.528 -6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.061 37.942 -8.472 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.753 37.551 -6.141 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.879 39.960 -7.721 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.723 39.765 -6.561 1.00 0.00 H new ATOM 332 N ARG A 23 10.425 33.308 -10.328 1.00 0.00 N ATOM 333 CA ARG A 23 10.908 31.909 -10.605 1.00 0.00 C ATOM 334 C ARG A 23 11.782 31.459 -9.478 1.00 0.00 C ATOM 335 O ARG A 23 12.681 32.169 -9.063 1.00 0.00 O ATOM 336 CB ARG A 23 11.731 31.852 -11.918 1.00 0.00 C ATOM 337 CG ARG A 23 11.691 30.427 -12.491 1.00 0.00 C ATOM 338 CD ARG A 23 11.846 30.496 -14.013 1.00 0.00 C ATOM 339 NE ARG A 23 10.614 31.097 -14.599 1.00 0.00 N ATOM 340 CZ ARG A 23 10.371 30.948 -15.875 1.00 0.00 C ATOM 341 NH1 ARG A 23 11.087 31.619 -16.737 1.00 0.00 N ATOM 342 NH2 ARG A 23 9.419 30.134 -16.244 1.00 0.00 N ATOM 0 H ARG A 23 11.079 34.058 -10.552 1.00 0.00 H new ATOM 0 HA ARG A 23 10.037 31.261 -10.705 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.326 32.558 -12.643 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.762 32.149 -11.726 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.490 29.825 -12.058 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.750 29.943 -12.230 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.719 31.094 -14.276 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.009 29.498 -14.421 1.00 0.00 H new ATOM 0 HE ARG A 23 9.966 31.620 -14.010 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.822 32.247 -16.411 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.911 31.515 -17.736 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.880 29.628 -15.541 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.214 30.004 -17.235 1.00 0.00 H new ATOM 356 N VAL A 24 11.510 30.284 -8.999 1.00 0.00 N ATOM 357 CA VAL A 24 12.299 29.748 -7.897 1.00 0.00 C ATOM 358 C VAL A 24 13.200 28.694 -8.460 1.00 0.00 C ATOM 359 O VAL A 24 12.753 27.834 -9.194 1.00 0.00 O ATOM 360 CB VAL A 24 11.322 29.151 -6.879 1.00 0.00 C ATOM 361 CG1 VAL A 24 12.041 28.174 -5.960 1.00 0.00 C ATOM 362 CG2 VAL A 24 10.751 30.290 -6.040 1.00 0.00 C ATOM 0 H VAL A 24 10.764 29.675 -9.336 1.00 0.00 H new ATOM 0 HA VAL A 24 12.904 30.510 -7.406 1.00 0.00 H new ATOM 0 HB VAL A 24 10.530 28.619 -7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.332 27.760 -5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.472 27.367 -6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.835 28.695 -5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.052 29.887 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.562 30.803 -5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.231 30.995 -6.689 1.00 0.00 H new ATOM 372 N GLU A 25 14.444 28.758 -8.110 1.00 0.00 N ATOM 373 CA GLU A 25 15.381 27.755 -8.640 1.00 0.00 C ATOM 374 C GLU A 25 15.701 26.645 -7.662 1.00 0.00 C ATOM 375 O GLU A 25 16.113 26.859 -6.537 1.00 0.00 O ATOM 376 CB GLU A 25 16.683 28.473 -9.002 1.00 0.00 C ATOM 377 CG GLU A 25 16.376 29.566 -10.028 1.00 0.00 C ATOM 378 CD GLU A 25 17.512 29.642 -11.050 1.00 0.00 C ATOM 379 OE1 GLU A 25 18.583 30.054 -10.638 1.00 0.00 O ATOM 380 OE2 GLU A 25 17.241 29.291 -12.186 1.00 0.00 O ATOM 0 H GLU A 25 14.848 29.456 -7.485 1.00 0.00 H new ATOM 0 HA GLU A 25 14.905 27.288 -9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.134 28.909 -8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.404 27.764 -9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.433 29.352 -10.532 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.259 30.527 -9.527 1.00 0.00 H new ATOM 387 N LEU A 26 15.486 25.492 -8.152 1.00 0.00 N ATOM 388 CA LEU A 26 15.717 24.265 -7.430 1.00 0.00 C ATOM 389 C LEU A 26 16.770 23.581 -8.251 1.00 0.00 C ATOM 390 O LEU A 26 16.740 22.385 -8.451 1.00 0.00 O ATOM 391 CB LEU A 26 14.427 23.417 -7.356 1.00 0.00 C ATOM 392 CG LEU A 26 13.419 24.135 -6.472 1.00 0.00 C ATOM 393 CD1 LEU A 26 12.087 23.393 -6.529 1.00 0.00 C ATOM 394 CD2 LEU A 26 13.925 24.141 -5.032 1.00 0.00 C ATOM 0 H LEU A 26 15.132 25.348 -9.098 1.00 0.00 H new ATOM 0 HA LEU A 26 16.020 24.424 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.015 23.268 -8.354 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.647 22.429 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 26 13.289 25.159 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.359 23.902 -5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.725 23.374 -7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.224 22.372 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.205 24.655 -4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.048 23.115 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.884 24.657 -4.985 1.00 0.00 H new ATOM 406 N GLU A 27 17.654 24.446 -8.805 1.00 0.00 N ATOM 407 CA GLU A 27 18.780 23.987 -9.676 1.00 0.00 C ATOM 408 C GLU A 27 19.363 22.698 -9.211 1.00 0.00 C ATOM 409 O GLU A 27 20.206 22.126 -9.878 1.00 0.00 O ATOM 410 CB GLU A 27 19.881 25.065 -9.659 1.00 0.00 C ATOM 411 CG GLU A 27 20.018 25.660 -11.062 1.00 0.00 C ATOM 412 CD GLU A 27 20.887 26.917 -10.996 1.00 0.00 C ATOM 413 OE1 GLU A 27 22.094 26.743 -11.021 1.00 0.00 O ATOM 414 OE2 GLU A 27 20.295 27.982 -10.925 1.00 0.00 O ATOM 0 H GLU A 27 17.616 25.456 -8.670 1.00 0.00 H new ATOM 0 HA GLU A 27 18.388 23.831 -10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.631 25.847 -8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 27 20.828 24.630 -9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.465 24.930 -11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 27 19.035 25.905 -11.463 1.00 0.00 H new ATOM 421 N ASN A 28 18.945 22.249 -8.091 1.00 0.00 N ATOM 422 CA ASN A 28 19.472 20.990 -7.623 1.00 0.00 C ATOM 423 C ASN A 28 18.849 19.943 -8.558 1.00 0.00 C ATOM 424 O ASN A 28 18.682 18.789 -8.214 1.00 0.00 O ATOM 425 CB ASN A 28 19.004 20.742 -6.180 1.00 0.00 C ATOM 426 CG ASN A 28 19.692 19.487 -5.638 1.00 0.00 C ATOM 427 OD1 ASN A 28 20.576 18.876 -6.383 1.00 0.00 O flip ATOM 428 ND2 ASN A 28 19.432 19.051 -4.534 1.00 0.00 N flip ATOM 0 H ASN A 28 18.262 22.703 -7.484 1.00 0.00 H new ATOM 0 HA ASN A 28 20.562 20.960 -7.629 1.00 0.00 H new ATOM 0 HB2 ASN A 28 19.243 21.602 -5.554 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.921 20.619 -6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 28 18.743 19.523 -3.948 1.00 0.00 H new ATOM 0 HD22 ASN A 28 19.902 18.213 -4.193 1.00 0.00 H new ATOM 435 N GLY A 29 18.515 20.428 -9.762 1.00 0.00 N ATOM 436 CA GLY A 29 17.898 19.582 -10.802 1.00 0.00 C ATOM 437 C GLY A 29 16.457 20.069 -11.143 1.00 0.00 C ATOM 438 O GLY A 29 15.894 19.632 -12.128 1.00 0.00 O ATOM 0 H GLY A 29 18.660 21.398 -10.043 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.513 19.600 -11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.864 18.548 -10.460 1.00 0.00 H new ATOM 442 N HIS A 30 15.886 20.965 -10.320 1.00 0.00 N ATOM 443 CA HIS A 30 14.485 21.459 -10.618 1.00 0.00 C ATOM 444 C HIS A 30 14.360 23.011 -10.732 1.00 0.00 C ATOM 445 O HIS A 30 15.165 23.749 -10.220 1.00 0.00 O ATOM 446 CB HIS A 30 13.572 20.987 -9.477 1.00 0.00 C ATOM 447 CG HIS A 30 12.958 19.631 -9.844 1.00 0.00 C ATOM 448 ND1 HIS A 30 12.570 19.306 -10.985 1.00 0.00 N ATOM 449 CD2 HIS A 30 12.709 18.528 -9.046 1.00 0.00 C ATOM 450 CE1 HIS A 30 12.105 18.126 -11.003 1.00 0.00 C ATOM 451 NE2 HIS A 30 12.151 17.545 -9.804 1.00 0.00 N ATOM 0 H HIS A 30 16.322 21.357 -9.485 1.00 0.00 H new ATOM 0 HA HIS A 30 14.204 21.054 -11.590 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.142 20.902 -8.552 1.00 0.00 H new ATOM 0 HB3 HIS A 30 12.784 21.719 -9.300 1.00 0.00 H new ATOM 0 HD2 HIS A 30 12.923 18.458 -7.990 1.00 0.00 H new ATOM 0 HE1 HIS A 30 11.716 17.646 -11.889 1.00 0.00 H new ATOM 0 HE2 HIS A 30 11.848 16.611 -9.528 1.00 0.00 H new ATOM 459 N VAL A 31 13.378 23.440 -11.491 1.00 0.00 N ATOM 460 CA VAL A 31 13.119 24.916 -11.688 1.00 0.00 C ATOM 461 C VAL A 31 11.605 25.139 -11.462 1.00 0.00 C ATOM 462 O VAL A 31 10.821 24.333 -11.921 1.00 0.00 O ATOM 463 CB VAL A 31 13.483 25.303 -13.132 1.00 0.00 C ATOM 464 CG1 VAL A 31 12.566 26.436 -13.605 1.00 0.00 C ATOM 465 CG2 VAL A 31 14.933 25.786 -13.173 1.00 0.00 C ATOM 0 H VAL A 31 12.734 22.827 -11.991 1.00 0.00 H new ATOM 0 HA VAL A 31 13.712 25.519 -11.000 1.00 0.00 H new ATOM 0 HB VAL A 31 13.361 24.437 -13.782 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.824 26.710 -14.628 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.529 26.103 -13.569 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.692 27.302 -12.955 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.196 26.062 -14.194 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.046 26.653 -12.523 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.592 24.988 -12.831 1.00 0.00 H new ATOM 475 N VAL A 32 11.192 26.203 -10.787 1.00 0.00 N ATOM 476 CA VAL A 32 9.722 26.373 -10.592 1.00 0.00 C ATOM 477 C VAL A 32 9.308 27.819 -10.512 1.00 0.00 C ATOM 478 O VAL A 32 10.122 28.707 -10.387 1.00 0.00 O ATOM 479 CB VAL A 32 9.330 25.717 -9.284 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.941 25.133 -9.421 1.00 0.00 C ATOM 481 CG2 VAL A 32 10.310 24.596 -8.948 1.00 0.00 C ATOM 0 H VAL A 32 11.788 26.925 -10.383 1.00 0.00 H new ATOM 0 HA VAL A 32 9.228 25.921 -11.452 1.00 0.00 H new ATOM 0 HB VAL A 32 9.349 26.462 -8.489 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.652 24.659 -8.483 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.234 25.928 -9.659 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.935 24.391 -10.220 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.021 24.130 -8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.295 23.849 -9.742 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.315 25.007 -8.856 1.00 0.00 H new ATOM 491 N THR A 33 8.023 28.008 -10.572 1.00 0.00 N ATOM 492 CA THR A 33 7.456 29.368 -10.504 1.00 0.00 C ATOM 493 C THR A 33 6.684 29.496 -9.217 1.00 0.00 C ATOM 494 O THR A 33 5.664 28.854 -9.050 1.00 0.00 O ATOM 495 CB THR A 33 6.501 29.556 -11.678 1.00 0.00 C ATOM 496 OG1 THR A 33 7.327 29.781 -12.801 1.00 0.00 O ATOM 497 CG2 THR A 33 5.690 30.852 -11.524 1.00 0.00 C ATOM 0 H THR A 33 7.335 27.261 -10.667 1.00 0.00 H new ATOM 0 HA THR A 33 8.247 30.117 -10.544 1.00 0.00 H new ATOM 0 HB THR A 33 5.834 28.697 -11.751 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.770 29.909 -13.597 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.017 30.963 -12.374 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.108 30.810 -10.603 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.369 31.704 -11.486 1.00 0.00 H new ATOM 505 N ALA A 34 7.169 30.322 -8.321 1.00 0.00 N ATOM 506 CA ALA A 34 6.459 30.487 -7.033 1.00 0.00 C ATOM 507 C ALA A 34 5.802 31.844 -6.946 1.00 0.00 C ATOM 508 O ALA A 34 5.891 32.639 -7.860 1.00 0.00 O ATOM 509 CB ALA A 34 7.488 30.352 -5.910 1.00 0.00 C ATOM 0 H ALA A 34 8.016 30.879 -8.432 1.00 0.00 H new ATOM 0 HA ALA A 34 5.680 29.729 -6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.992 30.469 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.955 29.368 -5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.251 31.122 -6.022 1.00 0.00 H new ATOM 515 N HIS A 35 5.150 32.094 -5.850 1.00 0.00 N ATOM 516 CA HIS A 35 4.484 33.398 -5.697 1.00 0.00 C ATOM 517 C HIS A 35 4.188 33.683 -4.235 1.00 0.00 C ATOM 518 O HIS A 35 4.023 32.776 -3.437 1.00 0.00 O ATOM 519 CB HIS A 35 3.164 33.353 -6.480 1.00 0.00 C ATOM 520 CG HIS A 35 2.169 32.478 -5.726 1.00 0.00 C ATOM 521 ND1 HIS A 35 1.556 32.701 -4.515 1.00 0.00 N flip ATOM 522 CD2 HIS A 35 1.747 31.369 -6.116 1.00 0.00 C flip ATOM 523 CE1 HIS A 35 0.745 31.647 -4.223 1.00 0.00 C flip ATOM 524 NE2 HIS A 35 0.934 30.865 -5.285 1.00 0.00 N flip ATOM 0 H HIS A 35 5.053 31.453 -5.062 1.00 0.00 H new ATOM 0 HA HIS A 35 5.136 34.186 -6.075 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.764 34.360 -6.601 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.333 32.955 -7.480 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.038 30.899 -7.044 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.116 31.487 -3.360 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.476 29.963 -5.414 1.00 0.00 H new ATOM 532 N ILE A 36 4.134 34.938 -3.906 1.00 0.00 N ATOM 533 CA ILE A 36 3.851 35.310 -2.503 1.00 0.00 C ATOM 534 C ILE A 36 2.345 35.210 -2.218 1.00 0.00 C ATOM 535 O ILE A 36 1.542 35.866 -2.847 1.00 0.00 O ATOM 536 CB ILE A 36 4.350 36.760 -2.287 1.00 0.00 C ATOM 537 CG1 ILE A 36 3.870 37.298 -0.952 1.00 0.00 C ATOM 538 CG2 ILE A 36 3.793 37.671 -3.403 1.00 0.00 C ATOM 539 CD1 ILE A 36 4.534 38.662 -0.701 1.00 0.00 C ATOM 0 H ILE A 36 4.273 35.719 -4.547 1.00 0.00 H new ATOM 0 HA ILE A 36 4.362 34.631 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 36 5.440 36.751 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.785 37.401 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.122 36.602 -0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.145 38.691 -3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.137 37.310 -4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.703 37.655 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.197 39.060 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.617 38.542 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.259 39.353 -1.498 1.00 0.00 H new ATOM 551 N SER A 37 1.996 34.366 -1.279 1.00 0.00 N ATOM 552 CA SER A 37 0.555 34.195 -0.931 1.00 0.00 C ATOM 553 C SER A 37 -0.084 35.508 -0.493 1.00 0.00 C ATOM 554 O SER A 37 0.482 36.569 -0.665 1.00 0.00 O ATOM 555 CB SER A 37 0.458 33.192 0.229 1.00 0.00 C ATOM 556 OG SER A 37 -0.665 32.385 -0.100 1.00 0.00 O ATOM 0 H SER A 37 2.645 33.791 -0.741 1.00 0.00 H new ATOM 0 HA SER A 37 0.026 33.842 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.366 32.595 0.316 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.318 33.699 1.183 1.00 0.00 H new ATOM 0 HG SER A 37 -1.091 32.065 0.723 1.00 0.00 H new ATOM 562 N GLY A 38 -1.267 35.403 0.067 1.00 0.00 N ATOM 563 CA GLY A 38 -1.976 36.630 0.530 1.00 0.00 C ATOM 564 C GLY A 38 -1.020 37.535 1.299 1.00 0.00 C ATOM 565 O GLY A 38 -1.311 38.696 1.534 1.00 0.00 O ATOM 0 H GLY A 38 -1.765 34.526 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.386 37.166 -0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.817 36.354 1.166 1.00 0.00 H new ATOM 569 N LYS A 39 0.102 36.989 1.681 1.00 0.00 N ATOM 570 CA LYS A 39 1.080 37.802 2.430 1.00 0.00 C ATOM 571 C LYS A 39 1.245 39.157 1.764 1.00 0.00 C ATOM 572 O LYS A 39 1.486 40.149 2.419 1.00 0.00 O ATOM 573 CB LYS A 39 2.430 37.072 2.414 1.00 0.00 C ATOM 574 CG LYS A 39 3.239 37.481 3.645 1.00 0.00 C ATOM 575 CD LYS A 39 4.611 36.806 3.591 1.00 0.00 C ATOM 576 CE LYS A 39 5.448 37.278 4.781 1.00 0.00 C ATOM 577 NZ LYS A 39 6.717 36.501 4.867 1.00 0.00 N ATOM 0 H LYS A 39 0.376 36.022 1.505 1.00 0.00 H new ATOM 0 HA LYS A 39 0.732 37.946 3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.273 35.993 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.979 37.318 1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.354 38.564 3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.713 37.190 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.498 35.722 3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.114 37.052 2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.671 38.340 4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.879 37.160 5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.273 36.834 5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.498 35.491 4.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.266 36.635 3.994 1.00 0.00 H new ATOM 591 N MET A 40 1.105 39.172 0.466 1.00 0.00 N ATOM 592 CA MET A 40 1.248 40.449 -0.265 1.00 0.00 C ATOM 593 C MET A 40 0.101 41.384 0.078 1.00 0.00 C ATOM 594 O MET A 40 0.277 42.577 0.163 1.00 0.00 O ATOM 595 CB MET A 40 1.212 40.156 -1.767 1.00 0.00 C ATOM 596 CG MET A 40 -0.138 39.545 -2.113 1.00 0.00 C ATOM 597 SD MET A 40 -0.218 38.479 -3.571 1.00 0.00 S ATOM 598 CE MET A 40 -1.768 39.129 -4.241 1.00 0.00 C ATOM 0 H MET A 40 0.899 38.357 -0.111 1.00 0.00 H new ATOM 0 HA MET A 40 2.189 40.922 0.016 1.00 0.00 H new ATOM 0 HB2 MET A 40 1.368 41.073 -2.335 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.017 39.473 -2.038 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.476 38.966 -1.253 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.851 40.358 -2.250 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.015 38.603 -5.163 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.568 38.983 -3.515 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.656 40.193 -4.449 1.00 0.00 H new ATOM 608 N ARG A 41 -1.063 40.826 0.257 1.00 0.00 N ATOM 609 CA ARG A 41 -2.218 41.682 0.597 1.00 0.00 C ATOM 610 C ARG A 41 -1.958 42.375 1.921 1.00 0.00 C ATOM 611 O ARG A 41 -2.400 43.485 2.150 1.00 0.00 O ATOM 612 CB ARG A 41 -3.468 40.795 0.729 1.00 0.00 C ATOM 613 CG ARG A 41 -4.613 41.422 -0.072 1.00 0.00 C ATOM 614 CD ARG A 41 -5.941 40.811 0.382 1.00 0.00 C ATOM 615 NE ARG A 41 -6.276 41.334 1.736 1.00 0.00 N ATOM 616 CZ ARG A 41 -7.321 40.867 2.364 1.00 0.00 C ATOM 617 NH1 ARG A 41 -8.440 40.727 1.707 1.00 0.00 N ATOM 618 NH2 ARG A 41 -7.212 40.555 3.626 1.00 0.00 N ATOM 0 H ARG A 41 -1.258 39.828 0.183 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.368 42.430 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.257 39.791 0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.751 40.698 1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.627 42.502 0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.465 41.248 -1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.732 41.061 -0.325 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.867 39.724 0.406 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.694 42.051 2.169 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.487 40.981 0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.267 40.364 2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.321 40.677 4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.018 40.189 4.132 1.00 0.00 H new ATOM 632 N LYS A 42 -1.236 41.698 2.774 1.00 0.00 N ATOM 633 CA LYS A 42 -0.920 42.275 4.091 1.00 0.00 C ATOM 634 C LYS A 42 0.400 43.039 4.038 1.00 0.00 C ATOM 635 O LYS A 42 0.524 44.111 4.596 1.00 0.00 O ATOM 636 CB LYS A 42 -0.788 41.120 5.101 1.00 0.00 C ATOM 637 CG LYS A 42 -1.763 41.343 6.259 1.00 0.00 C ATOM 638 CD LYS A 42 -1.273 40.560 7.481 1.00 0.00 C ATOM 639 CE LYS A 42 -1.083 39.090 7.095 1.00 0.00 C ATOM 640 NZ LYS A 42 -2.347 38.531 6.541 1.00 0.00 N ATOM 0 H LYS A 42 -0.855 40.767 2.605 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.711 42.965 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.999 40.169 4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.234 41.066 5.477 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.831 42.405 6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.763 41.014 5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.333 40.978 7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.993 40.644 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.285 39.001 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.776 38.515 7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.295 37.492 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.149 38.835 7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.482 38.874 5.569 1.00 0.00 H new ATOM 654 N ASN A 43 1.363 42.465 3.362 1.00 0.00 N ATOM 655 CA ASN A 43 2.691 43.129 3.253 1.00 0.00 C ATOM 656 C ASN A 43 2.836 43.843 1.918 1.00 0.00 C ATOM 657 O ASN A 43 3.932 44.143 1.489 1.00 0.00 O ATOM 658 CB ASN A 43 3.775 42.047 3.335 1.00 0.00 C ATOM 659 CG ASN A 43 3.807 41.463 4.749 1.00 0.00 C ATOM 660 OD1 ASN A 43 2.792 41.085 5.298 1.00 0.00 O ATOM 661 ND2 ASN A 43 4.951 41.372 5.372 1.00 0.00 N ATOM 0 H ASN A 43 1.285 41.568 2.883 1.00 0.00 H new ATOM 0 HA ASN A 43 2.787 43.859 4.057 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.573 41.259 2.609 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.747 42.471 3.083 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.989 40.985 6.315 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.807 41.688 4.916 1.00 0.00 H new ATOM 668 N TYR A 44 1.730 44.106 1.287 1.00 0.00 N ATOM 669 CA TYR A 44 1.788 44.798 -0.021 1.00 0.00 C ATOM 670 C TYR A 44 2.701 44.050 -0.988 1.00 0.00 C ATOM 671 O TYR A 44 3.243 43.012 -0.658 1.00 0.00 O ATOM 672 CB TYR A 44 2.344 46.213 0.199 1.00 0.00 C ATOM 673 CG TYR A 44 1.631 47.187 -0.742 1.00 0.00 C ATOM 674 CD1 TYR A 44 0.451 47.792 -0.358 1.00 0.00 C ATOM 675 CD2 TYR A 44 2.154 47.473 -1.986 1.00 0.00 C ATOM 676 CE1 TYR A 44 -0.195 48.669 -1.206 1.00 0.00 C ATOM 677 CE2 TYR A 44 1.507 48.350 -2.834 1.00 0.00 C ATOM 678 CZ TYR A 44 0.327 48.954 -2.450 1.00 0.00 C ATOM 679 OH TYR A 44 -0.321 49.828 -3.299 1.00 0.00 O ATOM 0 H TYR A 44 0.794 43.873 1.620 1.00 0.00 H new ATOM 0 HA TYR A 44 0.786 44.838 -0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.197 46.517 1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.418 46.228 0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.030 47.578 0.613 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.077 47.007 -2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.117 49.136 -0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.928 48.565 -3.805 1.00 0.00 H new ATOM 0 HH TYR A 44 0.188 49.913 -4.132 1.00 0.00 H new ATOM 689 N ILE A 45 2.856 44.586 -2.165 1.00 0.00 N ATOM 690 CA ILE A 45 3.725 43.923 -3.161 1.00 0.00 C ATOM 691 C ILE A 45 5.181 44.348 -2.984 1.00 0.00 C ATOM 692 O ILE A 45 5.653 45.240 -3.660 1.00 0.00 O ATOM 693 CB ILE A 45 3.256 44.336 -4.557 1.00 0.00 C ATOM 694 CG1 ILE A 45 1.784 43.980 -4.730 1.00 0.00 C ATOM 695 CG2 ILE A 45 4.073 43.561 -5.604 1.00 0.00 C ATOM 696 CD1 ILE A 45 1.293 44.509 -6.081 1.00 0.00 C ATOM 0 H ILE A 45 2.417 45.453 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 45 3.661 42.843 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 45 3.392 45.410 -4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.650 42.899 -4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.195 44.413 -3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.747 43.847 -6.604 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.131 43.795 -5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.920 42.491 -5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.240 44.257 -6.210 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.413 45.592 -6.113 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.875 44.055 -6.883 1.00 0.00 H new ATOM 708 N ARG A 46 5.868 43.696 -2.077 1.00 0.00 N ATOM 709 CA ARG A 46 7.295 44.055 -1.845 1.00 0.00 C ATOM 710 C ARG A 46 8.125 42.826 -1.477 1.00 0.00 C ATOM 711 O ARG A 46 8.022 42.313 -0.380 1.00 0.00 O ATOM 712 CB ARG A 46 7.358 45.059 -0.681 1.00 0.00 C ATOM 713 CG ARG A 46 7.467 46.479 -1.245 1.00 0.00 C ATOM 714 CD ARG A 46 8.943 46.852 -1.385 1.00 0.00 C ATOM 715 NE ARG A 46 9.531 46.086 -2.520 1.00 0.00 N ATOM 716 CZ ARG A 46 10.828 45.999 -2.632 1.00 0.00 C ATOM 717 NH1 ARG A 46 11.551 47.068 -2.435 1.00 0.00 N ATOM 718 NH2 ARG A 46 11.360 44.847 -2.936 1.00 0.00 N ATOM 0 H ARG A 46 5.505 42.941 -1.496 1.00 0.00 H new ATOM 0 HA ARG A 46 7.702 44.483 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.467 44.969 -0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.215 44.841 -0.043 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.971 46.537 -2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.962 47.185 -0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.046 47.923 -1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.477 46.627 -0.462 1.00 0.00 H new ATOM 0 HE ARG A 46 8.924 45.633 -3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.100 47.952 -2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.566 47.019 -2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.764 44.032 -3.082 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.372 44.761 -3.028 1.00 0.00 H new ATOM 732 N ILE A 47 8.934 42.377 -2.412 1.00 0.00 N ATOM 733 CA ILE A 47 9.785 41.185 -2.150 1.00 0.00 C ATOM 734 C ILE A 47 11.223 41.416 -2.628 1.00 0.00 C ATOM 735 O ILE A 47 11.452 42.102 -3.605 1.00 0.00 O ATOM 736 CB ILE A 47 9.188 40.014 -2.925 1.00 0.00 C ATOM 737 CG1 ILE A 47 9.644 38.697 -2.309 1.00 0.00 C ATOM 738 CG2 ILE A 47 9.684 40.082 -4.380 1.00 0.00 C ATOM 739 CD1 ILE A 47 9.098 37.533 -3.145 1.00 0.00 C ATOM 0 H ILE A 47 9.036 42.788 -3.340 1.00 0.00 H new ATOM 0 HA ILE A 47 9.812 40.987 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 47 8.100 40.071 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.733 38.656 -2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.289 38.620 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.265 39.250 -4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.367 41.023 -4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.772 40.021 -4.397 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.422 36.588 -2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.009 37.573 -3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.475 37.609 -4.165 1.00 0.00 H new ATOM 751 N LEU A 48 12.166 40.834 -1.927 1.00 0.00 N ATOM 752 CA LEU A 48 13.589 41.008 -2.327 1.00 0.00 C ATOM 753 C LEU A 48 14.030 39.881 -3.261 1.00 0.00 C ATOM 754 O LEU A 48 13.589 38.756 -3.128 1.00 0.00 O ATOM 755 CB LEU A 48 14.461 40.974 -1.056 1.00 0.00 C ATOM 756 CG LEU A 48 15.580 42.014 -1.185 1.00 0.00 C ATOM 757 CD1 LEU A 48 14.961 43.406 -1.326 1.00 0.00 C ATOM 758 CD2 LEU A 48 16.451 41.979 0.074 1.00 0.00 C ATOM 0 H LEU A 48 12.010 40.252 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 48 13.700 41.958 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.852 41.185 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.886 39.980 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 48 16.189 41.790 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.753 44.149 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.331 43.436 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.357 43.627 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.248 42.717 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.839 42.208 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.887 40.986 0.187 1.00 0.00 H new ATOM 770 N THR A 49 14.891 40.204 -4.193 1.00 0.00 N ATOM 771 CA THR A 49 15.368 39.160 -5.142 1.00 0.00 C ATOM 772 C THR A 49 16.391 38.245 -4.500 1.00 0.00 C ATOM 773 O THR A 49 17.299 38.668 -3.812 1.00 0.00 O ATOM 774 CB THR A 49 15.997 39.846 -6.352 1.00 0.00 C ATOM 775 OG1 THR A 49 14.964 40.622 -6.924 1.00 0.00 O ATOM 776 CG2 THR A 49 16.356 38.820 -7.436 1.00 0.00 C ATOM 0 H THR A 49 15.279 41.136 -4.335 1.00 0.00 H new ATOM 0 HA THR A 49 14.514 38.552 -5.441 1.00 0.00 H new ATOM 0 HB THR A 49 16.883 40.400 -6.042 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.307 41.093 -7.712 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.803 39.332 -8.288 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.067 38.099 -7.033 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.454 38.300 -7.758 1.00 0.00 H new ATOM 784 N GLY A 50 16.191 37.013 -4.757 1.00 0.00 N ATOM 785 CA GLY A 50 17.059 35.940 -4.236 1.00 0.00 C ATOM 786 C GLY A 50 16.742 35.746 -2.787 1.00 0.00 C ATOM 787 O GLY A 50 17.460 36.184 -1.910 1.00 0.00 O ATOM 0 H GLY A 50 15.422 36.678 -5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.894 35.015 -4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.109 36.204 -4.364 1.00 0.00 H new ATOM 791 N ASP A 51 15.655 35.086 -2.582 1.00 0.00 N ATOM 792 CA ASP A 51 15.199 34.798 -1.230 1.00 0.00 C ATOM 793 C ASP A 51 15.341 33.342 -0.979 1.00 0.00 C ATOM 794 O ASP A 51 14.734 32.564 -1.693 1.00 0.00 O ATOM 795 CB ASP A 51 13.722 35.176 -1.111 1.00 0.00 C ATOM 796 CG ASP A 51 13.390 35.540 0.343 1.00 0.00 C ATOM 797 OD1 ASP A 51 14.311 35.950 1.027 1.00 0.00 O ATOM 798 OD2 ASP A 51 12.228 35.385 0.682 1.00 0.00 O ATOM 0 H ASP A 51 15.052 34.727 -3.322 1.00 0.00 H new ATOM 0 HA ASP A 51 15.788 35.365 -0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.500 36.019 -1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.098 34.345 -1.438 1.00 0.00 H new ATOM 803 N LYS A 52 16.089 32.941 -0.024 1.00 0.00 N ATOM 804 CA LYS A 52 16.163 31.492 0.154 1.00 0.00 C ATOM 805 C LYS A 52 14.863 31.131 0.831 1.00 0.00 C ATOM 806 O LYS A 52 14.652 31.523 1.957 1.00 0.00 O ATOM 807 CB LYS A 52 17.353 31.137 1.061 1.00 0.00 C ATOM 808 CG LYS A 52 17.501 29.615 1.121 1.00 0.00 C ATOM 809 CD LYS A 52 18.587 29.254 2.137 1.00 0.00 C ATOM 810 CE LYS A 52 18.471 27.770 2.489 1.00 0.00 C ATOM 811 NZ LYS A 52 19.104 26.935 1.430 1.00 0.00 N ATOM 0 H LYS A 52 16.632 33.520 0.617 1.00 0.00 H new ATOM 0 HA LYS A 52 16.304 30.958 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.267 31.589 0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.196 31.539 2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.554 29.157 1.405 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.762 29.224 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.573 29.466 1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.479 29.863 3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.952 27.578 3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.422 27.496 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.018 25.930 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.627 27.106 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 20.110 27.185 1.345 1.00 0.00 H new ATOM 825 N VAL A 53 14.002 30.392 0.154 1.00 0.00 N ATOM 826 CA VAL A 53 12.700 30.038 0.810 1.00 0.00 C ATOM 827 C VAL A 53 12.306 28.604 0.687 1.00 0.00 C ATOM 828 O VAL A 53 13.013 27.795 0.119 1.00 0.00 O ATOM 829 CB VAL A 53 11.605 30.861 0.113 1.00 0.00 C ATOM 830 CG1 VAL A 53 11.978 32.339 0.152 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.496 30.399 -1.347 1.00 0.00 C ATOM 0 H VAL A 53 14.140 30.032 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 53 12.819 30.245 1.874 1.00 0.00 H new ATOM 0 HB VAL A 53 10.651 30.718 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.202 32.923 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.072 32.663 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.927 32.488 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.722 30.975 -1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.451 30.553 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.238 29.340 -1.375 1.00 0.00 H new ATOM 841 N ARG A 54 11.142 28.309 1.252 1.00 0.00 N ATOM 842 CA ARG A 54 10.639 26.925 1.194 1.00 0.00 C ATOM 843 C ARG A 54 9.567 26.857 0.138 1.00 0.00 C ATOM 844 O ARG A 54 8.568 27.545 0.226 1.00 0.00 O ATOM 845 CB ARG A 54 10.045 26.559 2.553 1.00 0.00 C ATOM 846 CG ARG A 54 11.184 26.186 3.504 1.00 0.00 C ATOM 847 CD ARG A 54 10.599 25.805 4.861 1.00 0.00 C ATOM 848 NE ARG A 54 10.280 24.351 4.859 1.00 0.00 N ATOM 849 CZ ARG A 54 9.056 23.966 5.082 1.00 0.00 C ATOM 850 NH1 ARG A 54 8.552 24.130 6.274 1.00 0.00 N ATOM 851 NH2 ARG A 54 8.375 23.431 4.106 1.00 0.00 N ATOM 0 H ARG A 54 10.542 28.974 1.740 1.00 0.00 H new ATOM 0 HA ARG A 54 11.444 26.231 0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.477 27.398 2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.351 25.725 2.449 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.758 25.354 3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.872 27.024 3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.310 26.034 5.655 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.700 26.388 5.061 1.00 0.00 H new ATOM 0 HE ARG A 54 11.013 23.663 4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.115 24.553 7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.595 23.835 6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.803 23.320 3.187 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.415 23.124 4.262 1.00 0.00 H new ATOM 865 N VAL A 55 9.777 26.025 -0.840 1.00 0.00 N ATOM 866 CA VAL A 55 8.777 25.907 -1.915 1.00 0.00 C ATOM 867 C VAL A 55 7.892 24.700 -1.752 1.00 0.00 C ATOM 868 O VAL A 55 8.363 23.585 -1.632 1.00 0.00 O ATOM 869 CB VAL A 55 9.519 25.758 -3.249 1.00 0.00 C ATOM 870 CG1 VAL A 55 8.532 25.963 -4.400 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.621 26.808 -3.346 1.00 0.00 C ATOM 0 H VAL A 55 10.597 25.426 -0.935 1.00 0.00 H new ATOM 0 HA VAL A 55 8.151 26.799 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 55 9.959 24.762 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.055 25.858 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.740 25.217 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.097 26.960 -4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.145 26.698 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.181 27.804 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.325 26.673 -2.525 1.00 0.00 H new ATOM 881 N GLU A 56 6.617 24.950 -1.753 1.00 0.00 N ATOM 882 CA GLU A 56 5.655 23.859 -1.607 1.00 0.00 C ATOM 883 C GLU A 56 5.098 23.558 -2.974 1.00 0.00 C ATOM 884 O GLU A 56 4.587 24.440 -3.637 1.00 0.00 O ATOM 885 CB GLU A 56 4.520 24.327 -0.685 1.00 0.00 C ATOM 886 CG GLU A 56 3.276 23.483 -0.954 1.00 0.00 C ATOM 887 CD GLU A 56 2.214 23.801 0.100 1.00 0.00 C ATOM 888 OE1 GLU A 56 1.647 24.875 -0.010 1.00 0.00 O ATOM 889 OE2 GLU A 56 2.029 22.951 0.955 1.00 0.00 O ATOM 0 H GLU A 56 6.207 25.879 -1.851 1.00 0.00 H new ATOM 0 HA GLU A 56 6.125 22.972 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.820 24.232 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.304 25.381 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.889 23.692 -1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.528 22.423 -0.925 1.00 0.00 H new ATOM 896 N LEU A 57 5.194 22.333 -3.381 1.00 0.00 N ATOM 897 CA LEU A 57 4.668 21.984 -4.713 1.00 0.00 C ATOM 898 C LEU A 57 3.249 21.495 -4.588 1.00 0.00 C ATOM 899 O LEU A 57 2.918 20.776 -3.665 1.00 0.00 O ATOM 900 CB LEU A 57 5.544 20.866 -5.299 1.00 0.00 C ATOM 901 CG LEU A 57 6.979 21.392 -5.476 1.00 0.00 C ATOM 902 CD1 LEU A 57 7.947 20.206 -5.537 1.00 0.00 C ATOM 903 CD2 LEU A 57 7.073 22.186 -6.782 1.00 0.00 C ATOM 0 H LEU A 57 5.610 21.566 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 57 4.684 22.859 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.540 19.999 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.143 20.537 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 57 7.238 22.037 -4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.965 20.574 -5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.879 19.633 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.686 19.566 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.089 22.559 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.817 21.539 -7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.380 23.026 -6.748 1.00 0.00 H new ATOM 915 N THR A 58 2.429 21.885 -5.528 1.00 0.00 N ATOM 916 CA THR A 58 1.013 21.453 -5.477 1.00 0.00 C ATOM 917 C THR A 58 0.764 20.248 -6.397 1.00 0.00 C ATOM 918 O THR A 58 1.369 20.129 -7.443 1.00 0.00 O ATOM 919 CB THR A 58 0.153 22.634 -5.942 1.00 0.00 C ATOM 920 OG1 THR A 58 0.488 22.829 -7.302 1.00 0.00 O ATOM 921 CG2 THR A 58 0.591 23.941 -5.241 1.00 0.00 C ATOM 0 H THR A 58 2.680 22.478 -6.319 1.00 0.00 H new ATOM 0 HA THR A 58 0.760 21.152 -4.460 1.00 0.00 H new ATOM 0 HB THR A 58 -0.898 22.427 -5.743 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.033 23.576 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.033 24.766 -5.586 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.481 23.830 -4.162 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.634 24.150 -5.480 1.00 0.00 H new ATOM 929 N PRO A 59 -0.138 19.366 -5.977 1.00 0.00 N ATOM 930 CA PRO A 59 -0.468 18.177 -6.759 1.00 0.00 C ATOM 931 C PRO A 59 -0.975 18.542 -8.149 1.00 0.00 C ATOM 932 O PRO A 59 -1.096 17.692 -9.009 1.00 0.00 O ATOM 933 CB PRO A 59 -1.598 17.481 -5.967 1.00 0.00 C ATOM 934 CG PRO A 59 -1.898 18.359 -4.715 1.00 0.00 C ATOM 935 CD PRO A 59 -0.878 19.506 -4.711 1.00 0.00 C ATOM 0 HA PRO A 59 0.409 17.546 -6.901 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.490 17.375 -6.584 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.296 16.477 -5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.915 18.749 -4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.817 17.769 -3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.374 20.475 -4.649 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.209 19.436 -3.853 1.00 0.00 H new ATOM 943 N TYR A 60 -1.262 19.799 -8.347 1.00 0.00 N ATOM 944 CA TYR A 60 -1.760 20.225 -9.675 1.00 0.00 C ATOM 945 C TYR A 60 -0.625 20.267 -10.688 1.00 0.00 C ATOM 946 O TYR A 60 -0.777 19.826 -11.810 1.00 0.00 O ATOM 947 CB TYR A 60 -2.359 21.632 -9.545 1.00 0.00 C ATOM 948 CG TYR A 60 -2.760 22.135 -10.932 1.00 0.00 C ATOM 949 CD1 TYR A 60 -3.898 21.655 -11.548 1.00 0.00 C ATOM 950 CD2 TYR A 60 -1.985 23.067 -11.591 1.00 0.00 C ATOM 951 CE1 TYR A 60 -4.255 22.101 -12.804 1.00 0.00 C ATOM 952 CE2 TYR A 60 -2.342 23.513 -12.847 1.00 0.00 C ATOM 953 CZ TYR A 60 -3.480 23.034 -13.463 1.00 0.00 C ATOM 954 OH TYR A 60 -3.837 23.479 -14.719 1.00 0.00 O ATOM 0 H TYR A 60 -1.173 20.540 -7.651 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.510 19.513 -10.018 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.228 21.612 -8.887 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.634 22.309 -9.095 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.514 20.925 -11.043 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.092 23.450 -11.120 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.148 21.717 -13.275 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.726 24.243 -13.352 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.180 24.134 -15.033 1.00 0.00 H new ATOM 964 N ASP A 61 0.495 20.795 -10.276 1.00 0.00 N ATOM 965 CA ASP A 61 1.647 20.871 -11.208 1.00 0.00 C ATOM 966 C ASP A 61 2.907 21.355 -10.488 1.00 0.00 C ATOM 967 O ASP A 61 3.128 22.539 -10.338 1.00 0.00 O ATOM 968 CB ASP A 61 1.299 21.859 -12.337 1.00 0.00 C ATOM 969 CG ASP A 61 2.056 21.460 -13.606 1.00 0.00 C ATOM 970 OD1 ASP A 61 3.274 21.452 -13.530 1.00 0.00 O ATOM 971 OD2 ASP A 61 1.373 21.183 -14.578 1.00 0.00 O ATOM 0 H ASP A 61 0.658 21.173 -9.343 1.00 0.00 H new ATOM 0 HA ASP A 61 1.843 19.877 -11.609 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.225 21.854 -12.523 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.567 22.874 -12.044 1.00 0.00 H new ATOM 976 N LEU A 62 3.702 20.419 -10.047 1.00 0.00 N ATOM 977 CA LEU A 62 4.947 20.783 -9.336 1.00 0.00 C ATOM 978 C LEU A 62 5.648 21.963 -9.999 1.00 0.00 C ATOM 979 O LEU A 62 6.285 22.756 -9.333 1.00 0.00 O ATOM 980 CB LEU A 62 5.869 19.563 -9.354 1.00 0.00 C ATOM 981 CG LEU A 62 5.131 18.398 -8.686 1.00 0.00 C ATOM 982 CD1 LEU A 62 4.163 17.754 -9.681 1.00 0.00 C ATOM 983 CD2 LEU A 62 6.149 17.356 -8.217 1.00 0.00 C ATOM 0 H LEU A 62 3.538 19.418 -10.151 1.00 0.00 H new ATOM 0 HA LEU A 62 4.704 21.080 -8.316 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.139 19.305 -10.378 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.797 19.779 -8.824 1.00 0.00 H new ATOM 0 HG LEU A 62 4.567 18.772 -7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.642 16.927 -9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.437 18.495 -10.014 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.720 17.380 -10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.627 16.526 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.713 16.987 -9.074 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.833 17.812 -7.502 1.00 0.00 H new ATOM 995 N SER A 63 5.525 22.070 -11.293 1.00 0.00 N ATOM 996 CA SER A 63 6.189 23.204 -11.977 1.00 0.00 C ATOM 997 C SER A 63 5.713 24.495 -11.350 1.00 0.00 C ATOM 998 O SER A 63 6.206 25.565 -11.654 1.00 0.00 O ATOM 999 CB SER A 63 5.786 23.189 -13.458 1.00 0.00 C ATOM 1000 OG SER A 63 6.296 21.957 -13.945 1.00 0.00 O ATOM 0 H SER A 63 5.003 21.432 -11.894 1.00 0.00 H new ATOM 0 HA SER A 63 7.272 23.121 -11.884 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.704 23.247 -13.577 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.212 24.037 -13.995 1.00 0.00 H new ATOM 0 HG SER A 63 5.571 21.300 -13.996 1.00 0.00 H new ATOM 1006 N LYS A 64 4.745 24.357 -10.477 1.00 0.00 N ATOM 1007 CA LYS A 64 4.185 25.534 -9.786 1.00 0.00 C ATOM 1008 C LYS A 64 4.115 25.272 -8.291 1.00 0.00 C ATOM 1009 O LYS A 64 3.840 24.160 -7.846 1.00 0.00 O ATOM 1010 CB LYS A 64 2.764 25.779 -10.314 1.00 0.00 C ATOM 1011 CG LYS A 64 2.791 25.795 -11.840 1.00 0.00 C ATOM 1012 CD LYS A 64 3.268 27.154 -12.308 1.00 0.00 C ATOM 1013 CE LYS A 64 3.327 27.167 -13.835 1.00 0.00 C ATOM 1014 NZ LYS A 64 4.611 26.582 -14.312 1.00 0.00 N ATOM 0 H LYS A 64 4.322 23.465 -10.219 1.00 0.00 H new ATOM 0 HA LYS A 64 4.818 26.402 -9.970 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.092 24.998 -9.959 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.381 26.727 -9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.453 25.014 -12.213 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.797 25.587 -12.237 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.593 27.932 -11.952 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.252 27.370 -11.892 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.489 26.601 -14.242 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.228 28.189 -14.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.154 27.307 -14.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.163 26.246 -13.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.413 25.784 -14.949 1.00 0.00 H new ATOM 1028 N GLY A 65 4.348 26.295 -7.543 1.00 0.00 N ATOM 1029 CA GLY A 65 4.308 26.153 -6.079 1.00 0.00 C ATOM 1030 C GLY A 65 4.217 27.521 -5.461 1.00 0.00 C ATOM 1031 O GLY A 65 3.988 28.486 -6.149 1.00 0.00 O ATOM 0 H GLY A 65 4.566 27.231 -7.885 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.452 25.547 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.201 25.638 -5.725 1.00 0.00 H new ATOM 1035 N ARG A 66 4.329 27.572 -4.180 1.00 0.00 N ATOM 1036 CA ARG A 66 4.254 28.888 -3.491 1.00 0.00 C ATOM 1037 C ARG A 66 5.394 29.018 -2.499 1.00 0.00 C ATOM 1038 O ARG A 66 6.069 28.050 -2.207 1.00 0.00 O ATOM 1039 CB ARG A 66 2.919 28.978 -2.739 1.00 0.00 C ATOM 1040 CG ARG A 66 2.865 27.877 -1.679 1.00 0.00 C ATOM 1041 CD ARG A 66 1.557 27.997 -0.897 1.00 0.00 C ATOM 1042 NE ARG A 66 0.774 29.145 -1.435 1.00 0.00 N ATOM 1043 CZ ARG A 66 -0.339 29.495 -0.848 1.00 0.00 C ATOM 1044 NH1 ARG A 66 -0.350 29.645 0.449 1.00 0.00 N ATOM 1045 NH2 ARG A 66 -1.405 29.683 -1.579 1.00 0.00 N ATOM 0 H ARG A 66 4.469 26.766 -3.571 1.00 0.00 H new ATOM 0 HA ARG A 66 4.327 29.689 -4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.817 29.957 -2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.087 28.870 -3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.932 26.897 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.716 27.964 -1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.981 27.075 -0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.764 28.146 0.163 1.00 0.00 H new ATOM 0 HE ARG A 66 1.105 29.653 -2.255 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.502 29.489 0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.211 29.918 0.924 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.359 29.556 -2.590 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.284 29.957 -1.139 1.00 0.00 H new ATOM 1059 N ILE A 67 5.594 30.210 -1.990 1.00 0.00 N ATOM 1060 CA ILE A 67 6.699 30.401 -1.010 1.00 0.00 C ATOM 1061 C ILE A 67 6.154 30.463 0.401 1.00 0.00 C ATOM 1062 O ILE A 67 5.114 31.046 0.638 1.00 0.00 O ATOM 1063 CB ILE A 67 7.381 31.731 -1.312 1.00 0.00 C ATOM 1064 CG1 ILE A 67 8.250 31.597 -2.556 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.276 32.100 -0.115 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.559 32.991 -3.117 1.00 0.00 C ATOM 0 H ILE A 67 5.048 31.043 -2.208 1.00 0.00 H new ATOM 0 HA ILE A 67 7.395 29.566 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 67 6.628 32.501 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.177 31.078 -2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.738 30.996 -3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.773 33.050 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.664 32.190 0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.025 31.322 0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.181 32.895 -4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.627 33.493 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.089 33.576 -2.366 1.00 0.00 H new ATOM 1078 N THR A 68 6.857 29.859 1.331 1.00 0.00 N ATOM 1079 CA THR A 68 6.378 29.890 2.690 1.00 0.00 C ATOM 1080 C THR A 68 7.498 29.563 3.640 1.00 0.00 C ATOM 1081 O THR A 68 7.708 28.433 4.009 1.00 0.00 O ATOM 1082 CB THR A 68 5.273 28.842 2.841 1.00 0.00 C ATOM 1083 OG1 THR A 68 5.179 28.595 4.231 1.00 0.00 O ATOM 1084 CG2 THR A 68 5.707 27.499 2.237 1.00 0.00 C ATOM 0 H THR A 68 7.732 29.357 1.180 1.00 0.00 H new ATOM 0 HA THR A 68 5.996 30.885 2.919 1.00 0.00 H new ATOM 0 HB THR A 68 4.360 29.197 2.364 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.002 28.164 4.543 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.905 26.770 2.356 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.923 27.630 1.177 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.601 27.142 2.748 1.00 0.00 H new ATOM 1092 N TYR A 69 8.178 30.606 3.957 1.00 0.00 N ATOM 1093 CA TYR A 69 9.359 30.604 4.899 1.00 0.00 C ATOM 1094 C TYR A 69 10.573 31.054 4.140 1.00 0.00 C ATOM 1095 O TYR A 69 10.871 30.512 3.106 1.00 0.00 O ATOM 1096 CB TYR A 69 9.612 29.212 5.515 1.00 0.00 C ATOM 1097 CG TYR A 69 10.646 29.348 6.632 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.247 29.717 7.902 1.00 0.00 C ATOM 1099 CD2 TYR A 69 11.983 29.107 6.395 1.00 0.00 C ATOM 1100 CE1 TYR A 69 11.169 29.841 8.918 1.00 0.00 C ATOM 1101 CE2 TYR A 69 12.907 29.232 7.415 1.00 0.00 C ATOM 1102 CZ TYR A 69 12.506 29.600 8.685 1.00 0.00 C ATOM 1103 OH TYR A 69 13.428 29.723 9.702 1.00 0.00 O ATOM 0 H TYR A 69 7.964 31.532 3.587 1.00 0.00 H new ATOM 0 HA TYR A 69 9.143 31.283 5.724 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.683 28.799 5.909 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.970 28.521 4.752 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.203 29.910 8.100 1.00 0.00 H new ATOM 0 HD2 TYR A 69 12.310 28.819 5.407 1.00 0.00 H new ATOM 0 HE1 TYR A 69 10.841 30.130 9.906 1.00 0.00 H new ATOM 0 HE2 TYR A 69 13.951 29.040 7.218 1.00 0.00 H new ATOM 0 HH TYR A 69 14.322 29.515 9.360 1.00 0.00 H new ATOM 1113 N ARG A 70 11.254 32.060 4.660 1.00 0.00 N ATOM 1114 CA ARG A 70 12.459 32.560 3.959 1.00 0.00 C ATOM 1115 C ARG A 70 13.632 32.793 4.886 1.00 0.00 C ATOM 1116 O ARG A 70 13.474 32.988 6.076 1.00 0.00 O ATOM 1117 CB ARG A 70 12.108 33.891 3.285 1.00 0.00 C ATOM 1118 CG ARG A 70 12.219 35.015 4.308 1.00 0.00 C ATOM 1119 CD ARG A 70 11.406 36.213 3.822 1.00 0.00 C ATOM 1120 NE ARG A 70 11.491 37.298 4.835 1.00 0.00 N ATOM 1121 CZ ARG A 70 10.585 37.374 5.769 1.00 0.00 C ATOM 1122 NH1 ARG A 70 10.577 36.475 6.716 1.00 0.00 N ATOM 1123 NH2 ARG A 70 9.713 38.342 5.722 1.00 0.00 N ATOM 0 H ARG A 70 11.020 32.541 5.528 1.00 0.00 H new ATOM 0 HA ARG A 70 12.757 31.797 3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.781 34.077 2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.097 33.851 2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.851 34.679 5.278 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.263 35.299 4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.787 36.563 2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.367 35.924 3.666 1.00 0.00 H new ATOM 0 HE ARG A 70 12.251 37.977 4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.272 35.729 6.717 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.875 36.519 7.455 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.747 39.023 4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.996 38.418 6.444 1.00 0.00 H new ATOM 1137 N ALA A 71 14.802 32.762 4.299 1.00 0.00 N ATOM 1138 CA ALA A 71 16.033 32.973 5.071 1.00 0.00 C ATOM 1139 C ALA A 71 16.963 33.921 4.318 1.00 0.00 C ATOM 1140 O ALA A 71 17.001 33.919 3.088 1.00 0.00 O ATOM 1141 CB ALA A 71 16.735 31.620 5.250 1.00 0.00 C ATOM 0 H ALA A 71 14.944 32.596 3.303 1.00 0.00 H new ATOM 0 HA ALA A 71 15.788 33.407 6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.652 31.759 5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 71 16.075 30.935 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 71 16.977 31.203 4.272 1.00 0.00 H new ATOM 1147 N ARG A 72 17.690 34.719 5.061 1.00 0.00 N ATOM 1148 CA ARG A 72 18.626 35.679 4.420 1.00 0.00 C ATOM 1149 C ARG A 72 19.935 35.761 5.196 1.00 0.00 C ATOM 1150 O ARG A 72 19.869 35.537 6.392 1.00 0.00 O ATOM 1151 CB ARG A 72 17.965 37.067 4.427 1.00 0.00 C ATOM 1152 CG ARG A 72 17.421 37.357 5.833 1.00 0.00 C ATOM 1153 CD ARG A 72 15.927 37.683 5.742 1.00 0.00 C ATOM 1154 NE ARG A 72 15.764 39.063 5.203 1.00 0.00 N ATOM 1155 CZ ARG A 72 15.418 40.029 6.012 1.00 0.00 C ATOM 1156 NH1 ARG A 72 16.315 40.526 6.819 1.00 0.00 N ATOM 1157 NH2 ARG A 72 14.190 40.465 5.985 1.00 0.00 N ATOM 1158 OXT ARG A 72 20.931 36.047 4.550 1.00 0.00 O ATOM 0 H ARG A 72 17.672 34.743 6.081 1.00 0.00 H new ATOM 0 HA ARG A 72 18.842 35.345 3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 72 18.689 37.830 4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.157 37.102 3.696 1.00 0.00 H new ATOM 0 HG2 ARG A 72 17.578 36.495 6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 72 17.961 38.193 6.279 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.423 36.964 5.095 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.464 37.606 6.726 1.00 0.00 H new ATOM 0 HE ARG A 72 15.921 39.251 4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.267 40.160 6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.064 41.281 7.458 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.517 40.053 5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.902 41.218 6.610 1.00 0.00 H new TER 1172 ARG A 72