USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot 130:sc=-0.00317 USER MOD Set 1.2: A 36 THR OG1 : rot -21:sc= 0.394! USER MOD Set 2.1: A 16 ASN : amide:sc= -2.45 K(o=-1.3,f=-7.6!) USER MOD Set 2.2: A 18 THR OG1 : rot 96:sc= 1.18 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0152) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 179:sc= -3.69! USER MOD Single : A 10 ASN : amide:sc= -3.21! C(o=-3.2!,f=-11!) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0183) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= -0.0161 F(o=-2.4!,f=-0.016) USER MOD Single : A 38 ASN : amide:sc= -3.21 K(o=-3.2,f=-4.9!) USER MOD Single : A 42 ASN : amide:sc= -6.51! C(o=-6.5!,f=-8.5!) USER MOD Single : A 48 ASN : amide:sc= -2.06 K(o=-2.1,f=-5.2!) USER MOD Single : A 49 SER OG : rot 67:sc= 0.864 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 98:sc= 0.295 USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= -0.568 (180deg=-0.839) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.147 20.880 5.681 1.00 0.00 N ATOM 2 CA MET A 1 -1.726 21.146 7.045 1.00 0.00 C ATOM 3 C MET A 1 -1.007 19.935 7.643 1.00 0.00 C ATOM 4 O MET A 1 0.073 20.071 8.218 1.00 0.00 O ATOM 5 CB MET A 1 -2.948 21.488 7.900 1.00 0.00 C ATOM 6 CG MET A 1 -2.554 22.356 9.097 1.00 0.00 C ATOM 7 SD MET A 1 -3.925 22.486 10.234 1.00 0.00 S ATOM 8 CE MET A 1 -4.217 24.246 10.168 1.00 0.00 C ATOM 0 H1 MET A 1 -2.556 21.743 5.269 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.326 20.582 5.116 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.861 20.124 5.679 1.00 0.00 H new ATOM 0 HA MET A 1 -1.033 21.987 7.034 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.686 22.013 7.293 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.419 20.570 8.251 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.691 21.923 9.603 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.258 23.348 8.756 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.048 24.502 10.826 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.321 24.776 10.492 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.460 24.536 9.146 1.00 0.00 H new ATOM 18 N SER A 2 -1.634 18.779 7.488 1.00 0.00 N ATOM 19 CA SER A 2 -1.067 17.545 8.006 1.00 0.00 C ATOM 20 C SER A 2 -1.879 16.347 7.508 1.00 0.00 C ATOM 21 O SER A 2 -3.003 16.508 7.036 1.00 0.00 O ATOM 22 CB SER A 2 -1.025 17.557 9.536 1.00 0.00 C ATOM 23 OG SER A 2 0.306 17.447 10.034 1.00 0.00 O ATOM 0 H SER A 2 -2.529 18.670 7.011 1.00 0.00 H new ATOM 0 HA SER A 2 -0.043 17.460 7.642 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.475 18.479 9.904 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.626 16.733 9.922 1.00 0.00 H new ATOM 0 HG SER A 2 0.291 17.460 11.014 1.00 0.00 H new ATOM 29 N THR A 3 -1.276 15.173 7.629 1.00 0.00 N ATOM 30 CA THR A 3 -1.928 13.949 7.197 1.00 0.00 C ATOM 31 C THR A 3 -1.178 12.727 7.730 1.00 0.00 C ATOM 32 O THR A 3 -0.013 12.830 8.116 1.00 0.00 O ATOM 33 CB THR A 3 -2.031 13.982 5.670 1.00 0.00 C ATOM 34 OG1 THR A 3 -2.587 12.714 5.333 1.00 0.00 O ATOM 35 CG2 THR A 3 -0.659 13.978 4.992 1.00 0.00 C ATOM 0 H THR A 3 -0.343 15.044 8.020 1.00 0.00 H new ATOM 0 HA THR A 3 -2.936 13.873 7.604 1.00 0.00 H new ATOM 0 HB THR A 3 -2.587 14.868 5.362 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.690 12.650 4.361 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.788 14.002 3.910 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.094 14.854 5.310 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.117 13.075 5.273 1.00 0.00 H new ATOM 43 N LYS A 4 -1.873 11.600 7.733 1.00 0.00 N ATOM 44 CA LYS A 4 -1.286 10.360 8.212 1.00 0.00 C ATOM 45 C LYS A 4 -1.354 9.307 7.104 1.00 0.00 C ATOM 46 O LYS A 4 -2.411 9.090 6.514 1.00 0.00 O ATOM 47 CB LYS A 4 -1.951 9.922 9.518 1.00 0.00 C ATOM 48 CG LYS A 4 -1.176 10.444 10.731 1.00 0.00 C ATOM 49 CD LYS A 4 -1.836 9.998 12.037 1.00 0.00 C ATOM 50 CE LYS A 4 -1.285 10.786 13.227 1.00 0.00 C ATOM 51 NZ LYS A 4 -2.136 11.962 13.508 1.00 0.00 N ATOM 0 H LYS A 4 -2.838 11.519 7.411 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.232 10.505 8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.976 10.292 9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.003 8.834 9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.149 10.080 10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.129 11.532 10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.915 10.140 11.970 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.664 8.933 12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.240 10.144 14.107 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.266 11.109 13.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.748 12.486 14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.158 12.582 12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.102 11.647 13.730 1.00 0.00 H new ATOM 65 N LEU A 5 -0.213 8.681 6.856 1.00 0.00 N ATOM 66 CA LEU A 5 -0.130 7.656 5.830 1.00 0.00 C ATOM 67 C LEU A 5 1.244 6.985 5.894 1.00 0.00 C ATOM 68 O LEU A 5 2.227 7.612 6.288 1.00 0.00 O ATOM 69 CB LEU A 5 -0.463 8.244 4.457 1.00 0.00 C ATOM 70 CG LEU A 5 0.491 9.323 3.940 1.00 0.00 C ATOM 71 CD1 LEU A 5 0.496 9.364 2.411 1.00 0.00 C ATOM 72 CD2 LEU A 5 0.155 10.687 4.547 1.00 0.00 C ATOM 0 H LEU A 5 0.662 8.864 7.348 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.873 6.879 6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.487 7.431 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.468 8.665 4.498 1.00 0.00 H new ATOM 0 HG LEU A 5 1.501 9.067 4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.182 10.139 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.818 8.398 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.509 9.584 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.847 11.436 4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.864 10.964 4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.242 10.634 5.632 1.00 0.00 H new ATOM 84 N TYR A 6 1.269 5.721 5.501 1.00 0.00 N ATOM 85 CA TYR A 6 2.506 4.959 5.509 1.00 0.00 C ATOM 86 C TYR A 6 2.499 3.890 4.415 1.00 0.00 C ATOM 87 O TYR A 6 1.960 2.802 4.609 1.00 0.00 O ATOM 88 CB TYR A 6 2.569 4.273 6.876 1.00 0.00 C ATOM 89 CG TYR A 6 3.664 3.209 6.987 1.00 0.00 C ATOM 90 CD1 TYR A 6 4.977 3.539 6.715 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.339 1.922 7.361 1.00 0.00 C ATOM 92 CE1 TYR A 6 6.007 2.538 6.821 1.00 0.00 C ATOM 93 CE2 TYR A 6 4.369 0.920 7.467 1.00 0.00 C ATOM 94 CZ TYR A 6 5.652 1.278 7.191 1.00 0.00 C ATOM 95 OH TYR A 6 6.625 0.333 7.291 1.00 0.00 O ATOM 0 H TYR A 6 0.452 5.205 5.175 1.00 0.00 H new ATOM 0 HA TYR A 6 3.360 5.612 5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.732 5.029 7.644 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.604 3.810 7.084 1.00 0.00 H new ATOM 0 HD1 TYR A 6 5.231 4.547 6.423 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.312 1.665 7.575 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.038 2.782 6.611 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.128 -0.092 7.759 1.00 0.00 H new ATOM 0 HH TYR A 6 6.229 -0.515 7.581 1.00 0.00 H new ATOM 105 N GLY A 7 3.105 4.238 3.290 1.00 0.00 N ATOM 106 CA GLY A 7 3.175 3.321 2.164 1.00 0.00 C ATOM 107 C GLY A 7 2.141 3.684 1.096 1.00 0.00 C ATOM 108 O GLY A 7 1.321 2.851 0.714 1.00 0.00 O ATOM 0 H GLY A 7 3.552 5.141 3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.175 3.347 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.004 2.301 2.509 1.00 0.00 H new ATOM 112 N ASP A 8 2.214 4.928 0.645 1.00 0.00 N ATOM 113 CA ASP A 8 1.294 5.411 -0.370 1.00 0.00 C ATOM 114 C ASP A 8 1.891 5.155 -1.756 1.00 0.00 C ATOM 115 O ASP A 8 3.109 5.151 -1.920 1.00 0.00 O ATOM 116 CB ASP A 8 1.057 6.915 -0.228 1.00 0.00 C ATOM 117 CG ASP A 8 -0.393 7.363 -0.424 1.00 0.00 C ATOM 118 OD1 ASP A 8 -1.172 6.544 -0.958 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.689 8.514 -0.036 1.00 0.00 O ATOM 0 H ASP A 8 2.896 5.616 0.964 1.00 0.00 H new ATOM 0 HA ASP A 8 0.348 4.884 -0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.387 7.228 0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.683 7.436 -0.952 1.00 0.00 H new ATOM 124 N VAL A 9 1.004 4.947 -2.717 1.00 0.00 N ATOM 125 CA VAL A 9 1.428 4.691 -4.084 1.00 0.00 C ATOM 126 C VAL A 9 1.438 6.007 -4.865 1.00 0.00 C ATOM 127 O VAL A 9 2.463 6.390 -5.428 1.00 0.00 O ATOM 128 CB VAL A 9 0.530 3.627 -4.719 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.759 3.549 -6.230 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.748 2.263 -4.061 1.00 0.00 C ATOM 0 H VAL A 9 -0.006 4.950 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 9 2.443 4.294 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.507 3.919 -4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.109 2.786 -6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.532 4.514 -6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.800 3.292 -6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.098 1.525 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.788 1.962 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.513 2.330 -2.999 1.00 0.00 H new ATOM 140 N ASN A 10 0.287 6.663 -4.873 1.00 0.00 N ATOM 141 CA ASN A 10 0.152 7.928 -5.575 1.00 0.00 C ATOM 142 C ASN A 10 0.015 9.060 -4.557 1.00 0.00 C ATOM 143 O ASN A 10 -0.578 10.097 -4.850 1.00 0.00 O ATOM 144 CB ASN A 10 -1.096 7.935 -6.461 1.00 0.00 C ATOM 145 CG ASN A 10 -2.243 7.171 -5.797 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.313 7.031 -4.588 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.136 6.684 -6.654 1.00 0.00 N ATOM 0 H ASN A 10 -0.560 6.342 -4.405 1.00 0.00 H new ATOM 0 HA ASN A 10 1.037 8.065 -6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.403 8.963 -6.655 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.864 7.484 -7.426 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.939 6.157 -6.310 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.018 6.837 -7.655 1.00 0.00 H new ATOM 154 N ASP A 11 0.574 8.824 -3.379 1.00 0.00 N ATOM 155 CA ASP A 11 0.523 9.811 -2.314 1.00 0.00 C ATOM 156 C ASP A 11 -0.921 10.286 -2.135 1.00 0.00 C ATOM 157 O ASP A 11 -1.170 11.479 -1.967 1.00 0.00 O ATOM 158 CB ASP A 11 1.383 11.031 -2.651 1.00 0.00 C ATOM 159 CG ASP A 11 1.910 11.805 -1.442 1.00 0.00 C ATOM 160 OD1 ASP A 11 2.308 11.132 -0.466 1.00 0.00 O ATOM 161 OD2 ASP A 11 1.903 13.053 -1.519 1.00 0.00 O ATOM 0 H ASP A 11 1.065 7.963 -3.139 1.00 0.00 H new ATOM 0 HA ASP A 11 0.900 9.345 -1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.232 10.704 -3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.797 11.710 -3.271 1.00 0.00 H new ATOM 166 N ASP A 12 -1.834 9.328 -2.175 1.00 0.00 N ATOM 167 CA ASP A 12 -3.246 9.634 -2.019 1.00 0.00 C ATOM 168 C ASP A 12 -3.674 9.328 -0.583 1.00 0.00 C ATOM 169 O ASP A 12 -4.261 10.175 0.088 1.00 0.00 O ATOM 170 CB ASP A 12 -4.102 8.780 -2.958 1.00 0.00 C ATOM 171 CG ASP A 12 -5.580 8.680 -2.575 1.00 0.00 C ATOM 172 OD1 ASP A 12 -6.292 9.684 -2.793 1.00 0.00 O ATOM 173 OD2 ASP A 12 -5.964 7.602 -2.073 1.00 0.00 O ATOM 0 H ASP A 12 -1.624 8.339 -2.313 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.390 10.688 -2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.030 9.191 -3.965 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.683 7.775 -2.994 1.00 0.00 H new ATOM 178 N GLY A 13 -3.364 8.114 -0.151 1.00 0.00 N ATOM 179 CA GLY A 13 -3.708 7.686 1.193 1.00 0.00 C ATOM 180 C GLY A 13 -2.798 6.547 1.657 1.00 0.00 C ATOM 181 O GLY A 13 -2.238 6.601 2.751 1.00 0.00 O ATOM 0 H GLY A 13 -2.878 7.413 -0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.621 8.528 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.747 7.359 1.219 1.00 0.00 H new ATOM 185 N LYS A 14 -2.676 5.543 0.801 1.00 0.00 N ATOM 186 CA LYS A 14 -1.843 4.393 1.109 1.00 0.00 C ATOM 187 C LYS A 14 -1.765 3.482 -0.118 1.00 0.00 C ATOM 188 O LYS A 14 -2.362 3.775 -1.152 1.00 0.00 O ATOM 189 CB LYS A 14 -2.349 3.687 2.369 1.00 0.00 C ATOM 190 CG LYS A 14 -3.770 3.156 2.167 1.00 0.00 C ATOM 191 CD LYS A 14 -4.809 4.193 2.598 1.00 0.00 C ATOM 192 CE LYS A 14 -5.866 4.396 1.511 1.00 0.00 C ATOM 193 NZ LYS A 14 -6.854 5.414 1.932 1.00 0.00 N ATOM 0 H LYS A 14 -3.140 5.502 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.825 4.710 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.682 2.863 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.332 4.380 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.920 2.899 1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.905 2.240 2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.289 3.869 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.315 5.141 2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.387 4.708 0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.372 3.452 1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.504 5.613 1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.395 5.057 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.359 6.288 2.202 1.00 0.00 H new ATOM 207 N VAL A 15 -1.023 2.396 0.038 1.00 0.00 N ATOM 208 CA VAL A 15 -0.859 1.440 -1.044 1.00 0.00 C ATOM 209 C VAL A 15 -1.860 0.297 -0.865 1.00 0.00 C ATOM 210 O VAL A 15 -1.586 -0.668 -0.153 1.00 0.00 O ATOM 211 CB VAL A 15 0.592 0.959 -1.102 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.995 0.273 0.205 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.816 0.034 -2.299 1.00 0.00 C ATOM 0 H VAL A 15 -0.528 2.157 0.897 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.070 1.911 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 15 1.230 1.834 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.031 -0.059 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.893 0.976 1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.349 -0.587 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.856 -0.293 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.163 -0.835 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.589 0.570 -3.221 1.00 0.00 H new ATOM 223 N ASN A 16 -3.001 0.444 -1.523 1.00 0.00 N ATOM 224 CA ASN A 16 -4.044 -0.564 -1.446 1.00 0.00 C ATOM 225 C ASN A 16 -4.712 -0.707 -2.815 1.00 0.00 C ATOM 226 O ASN A 16 -4.230 -0.158 -3.805 1.00 0.00 O ATOM 227 CB ASN A 16 -5.122 -0.165 -0.435 1.00 0.00 C ATOM 228 CG ASN A 16 -5.828 1.122 -0.864 1.00 0.00 C ATOM 229 OD1 ASN A 16 -7.014 1.144 -1.151 1.00 0.00 O ATOM 230 ND2 ASN A 16 -5.035 2.189 -0.892 1.00 0.00 N ATOM 0 H ASN A 16 -3.226 1.246 -2.112 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.584 -1.501 -1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.851 -0.969 -0.340 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.670 -0.026 0.547 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.411 3.097 -1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.051 2.100 -0.639 1.00 0.00 H new ATOM 237 N SER A 17 -5.811 -1.448 -2.828 1.00 0.00 N ATOM 238 CA SER A 17 -6.549 -1.671 -4.059 1.00 0.00 C ATOM 239 C SER A 17 -6.839 -0.333 -4.744 1.00 0.00 C ATOM 240 O SER A 17 -6.788 -0.236 -5.969 1.00 0.00 O ATOM 241 CB SER A 17 -7.853 -2.424 -3.792 1.00 0.00 C ATOM 242 OG SER A 17 -8.715 -2.420 -4.926 1.00 0.00 O ATOM 0 H SER A 17 -6.208 -1.901 -2.005 1.00 0.00 H new ATOM 0 HA SER A 17 -5.936 -2.285 -4.719 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.626 -3.453 -3.513 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.367 -1.970 -2.945 1.00 0.00 H new ATOM 0 HG SER A 17 -9.536 -2.912 -4.715 1.00 0.00 H new ATOM 248 N THR A 18 -7.137 0.663 -3.923 1.00 0.00 N ATOM 249 CA THR A 18 -7.436 1.990 -4.434 1.00 0.00 C ATOM 250 C THR A 18 -6.356 2.437 -5.422 1.00 0.00 C ATOM 251 O THR A 18 -6.664 2.982 -6.481 1.00 0.00 O ATOM 252 CB THR A 18 -7.593 2.933 -3.240 1.00 0.00 C ATOM 253 OG1 THR A 18 -8.762 2.457 -2.575 1.00 0.00 O ATOM 254 CG2 THR A 18 -7.959 4.357 -3.662 1.00 0.00 C ATOM 0 H THR A 18 -7.178 0.578 -2.907 1.00 0.00 H new ATOM 0 HA THR A 18 -8.370 1.995 -4.996 1.00 0.00 H new ATOM 0 HB THR A 18 -6.666 2.952 -2.667 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.502 1.851 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.058 4.985 -2.776 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.176 4.758 -4.305 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.904 4.344 -4.205 1.00 0.00 H new ATOM 262 N ASP A 19 -5.112 2.188 -5.041 1.00 0.00 N ATOM 263 CA ASP A 19 -3.984 2.558 -5.879 1.00 0.00 C ATOM 264 C ASP A 19 -3.548 1.345 -6.703 1.00 0.00 C ATOM 265 O ASP A 19 -2.395 1.259 -7.125 1.00 0.00 O ATOM 266 CB ASP A 19 -2.792 3.008 -5.032 1.00 0.00 C ATOM 267 CG ASP A 19 -2.955 4.372 -4.358 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.826 5.135 -4.828 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.206 4.619 -3.389 1.00 0.00 O ATOM 0 H ASP A 19 -4.860 1.734 -4.163 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.298 3.379 -6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.609 2.259 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.906 3.036 -5.666 1.00 0.00 H new ATOM 274 N ALA A 20 -4.492 0.439 -6.910 1.00 0.00 N ATOM 275 CA ALA A 20 -4.220 -0.765 -7.676 1.00 0.00 C ATOM 276 C ALA A 20 -3.772 -0.376 -9.087 1.00 0.00 C ATOM 277 O ALA A 20 -2.857 -0.982 -9.641 1.00 0.00 O ATOM 278 CB ALA A 20 -5.463 -1.657 -7.684 1.00 0.00 C ATOM 0 H ALA A 20 -5.447 0.515 -6.560 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.412 -1.336 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.259 -2.560 -8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.722 -1.929 -6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.295 -1.118 -8.138 1.00 0.00 H new ATOM 284 N VAL A 21 -4.437 0.634 -9.627 1.00 0.00 N ATOM 285 CA VAL A 21 -4.119 1.111 -10.962 1.00 0.00 C ATOM 286 C VAL A 21 -2.600 1.150 -11.136 1.00 0.00 C ATOM 287 O VAL A 21 -2.054 0.478 -12.009 1.00 0.00 O ATOM 288 CB VAL A 21 -4.785 2.468 -11.206 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.086 3.226 -12.335 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.277 2.301 -11.498 1.00 0.00 C ATOM 0 H VAL A 21 -5.195 1.136 -9.164 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.515 0.430 -11.716 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.686 3.059 -10.295 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.579 4.186 -12.488 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.042 3.392 -12.070 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.139 2.641 -13.253 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.726 3.279 -11.668 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.407 1.683 -12.387 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.763 1.821 -10.648 1.00 0.00 H new ATOM 300 N ALA A 22 -1.960 1.946 -10.291 1.00 0.00 N ATOM 301 CA ALA A 22 -0.514 2.082 -10.342 1.00 0.00 C ATOM 302 C ALA A 22 0.131 0.720 -10.080 1.00 0.00 C ATOM 303 O ALA A 22 1.058 0.323 -10.785 1.00 0.00 O ATOM 304 CB ALA A 22 -0.067 3.142 -9.333 1.00 0.00 C ATOM 0 H ALA A 22 -2.416 2.503 -9.568 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.193 2.414 -11.329 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.017 3.245 -9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.531 4.097 -9.579 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.369 2.840 -8.330 1.00 0.00 H new ATOM 310 N LEU A 23 -0.384 0.041 -9.065 1.00 0.00 N ATOM 311 CA LEU A 23 0.130 -1.268 -8.703 1.00 0.00 C ATOM 312 C LEU A 23 0.186 -2.153 -9.950 1.00 0.00 C ATOM 313 O LEU A 23 1.257 -2.615 -10.340 1.00 0.00 O ATOM 314 CB LEU A 23 -0.690 -1.869 -7.559 1.00 0.00 C ATOM 315 CG LEU A 23 0.098 -2.293 -6.319 1.00 0.00 C ATOM 316 CD1 LEU A 23 1.434 -2.930 -6.710 1.00 0.00 C ATOM 317 CD2 LEU A 23 0.283 -1.119 -5.357 1.00 0.00 C ATOM 0 H LEU A 23 -1.152 0.374 -8.482 1.00 0.00 H new ATOM 0 HA LEU A 23 1.149 -1.185 -8.325 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.442 -1.140 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.225 -2.739 -7.940 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.479 -3.052 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.975 -3.223 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.251 -3.811 -7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.029 -2.211 -7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.847 -1.449 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.827 -0.319 -5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.693 -0.751 -5.041 1.00 0.00 H new ATOM 329 N LYS A 24 -0.981 -2.362 -10.541 1.00 0.00 N ATOM 330 CA LYS A 24 -1.078 -3.183 -11.735 1.00 0.00 C ATOM 331 C LYS A 24 0.107 -2.882 -12.654 1.00 0.00 C ATOM 332 O LYS A 24 0.724 -3.797 -13.197 1.00 0.00 O ATOM 333 CB LYS A 24 -2.440 -2.994 -12.406 1.00 0.00 C ATOM 334 CG LYS A 24 -2.698 -4.088 -13.444 1.00 0.00 C ATOM 335 CD LYS A 24 -4.185 -4.177 -13.789 1.00 0.00 C ATOM 336 CE LYS A 24 -4.454 -5.325 -14.765 1.00 0.00 C ATOM 337 NZ LYS A 24 -5.906 -5.458 -15.022 1.00 0.00 N ATOM 0 H LYS A 24 -1.867 -1.977 -10.215 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.020 -4.240 -11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.226 -3.011 -11.651 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.480 -2.016 -12.886 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.123 -3.880 -14.347 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.352 -5.048 -13.060 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.765 -4.326 -12.878 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.517 -3.236 -14.228 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.928 -5.144 -15.702 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.064 -6.257 -14.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.071 -6.241 -15.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.400 -5.652 -14.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.268 -4.574 -15.433 1.00 0.00 H new ATOM 351 N ARG A 25 0.391 -1.596 -12.800 1.00 0.00 N ATOM 352 CA ARG A 25 1.492 -1.162 -13.642 1.00 0.00 C ATOM 353 C ARG A 25 2.828 -1.590 -13.032 1.00 0.00 C ATOM 354 O ARG A 25 3.682 -2.141 -13.724 1.00 0.00 O ATOM 355 CB ARG A 25 1.483 0.356 -13.822 1.00 0.00 C ATOM 356 CG ARG A 25 0.697 0.757 -15.072 1.00 0.00 C ATOM 357 CD ARG A 25 -0.629 1.421 -14.697 1.00 0.00 C ATOM 358 NE ARG A 25 -1.409 1.720 -15.919 1.00 0.00 N ATOM 359 CZ ARG A 25 -2.135 0.815 -16.588 1.00 0.00 C ATOM 360 NH1 ARG A 25 -2.185 -0.454 -16.158 1.00 0.00 N ATOM 361 NH2 ARG A 25 -2.810 1.176 -17.687 1.00 0.00 N ATOM 0 H ARG A 25 -0.123 -0.840 -12.348 1.00 0.00 H new ATOM 0 HA ARG A 25 1.368 -1.632 -14.618 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.041 0.827 -12.944 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.507 0.722 -13.899 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.292 1.442 -15.676 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.506 -0.124 -15.684 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.201 0.764 -14.042 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.441 2.340 -14.142 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.393 2.676 -16.274 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.670 -0.730 -15.322 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.738 -1.144 -16.667 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.771 2.141 -18.015 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.363 0.486 -18.196 1.00 0.00 H new ATOM 375 N TYR A 26 2.967 -1.318 -11.742 1.00 0.00 N ATOM 376 CA TYR A 26 4.185 -1.668 -11.031 1.00 0.00 C ATOM 377 C TYR A 26 4.441 -3.175 -11.091 1.00 0.00 C ATOM 378 O TYR A 26 5.564 -3.607 -11.347 1.00 0.00 O ATOM 379 CB TYR A 26 3.954 -1.259 -9.575 1.00 0.00 C ATOM 380 CG TYR A 26 5.242 -1.085 -8.766 1.00 0.00 C ATOM 381 CD1 TYR A 26 6.173 -2.103 -8.725 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.470 0.089 -8.078 1.00 0.00 C ATOM 383 CE1 TYR A 26 7.384 -1.939 -7.964 1.00 0.00 C ATOM 384 CE2 TYR A 26 6.682 0.252 -7.317 1.00 0.00 C ATOM 385 CZ TYR A 26 7.579 -0.770 -7.297 1.00 0.00 C ATOM 386 OH TYR A 26 8.723 -0.616 -6.579 1.00 0.00 O ATOM 0 H TYR A 26 2.257 -0.860 -11.171 1.00 0.00 H new ATOM 0 HA TYR A 26 5.046 -1.168 -11.474 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.395 -0.323 -9.555 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.332 -2.012 -9.091 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.993 -3.022 -9.263 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.741 0.885 -8.110 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.121 -2.727 -7.924 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.874 1.166 -6.774 1.00 0.00 H new ATOM 0 HH TYR A 26 9.145 0.236 -6.815 1.00 0.00 H new ATOM 396 N VAL A 27 3.383 -3.933 -10.851 1.00 0.00 N ATOM 397 CA VAL A 27 3.479 -5.383 -10.875 1.00 0.00 C ATOM 398 C VAL A 27 3.904 -5.839 -12.272 1.00 0.00 C ATOM 399 O VAL A 27 4.914 -6.524 -12.425 1.00 0.00 O ATOM 400 CB VAL A 27 2.157 -6.003 -10.420 1.00 0.00 C ATOM 401 CG1 VAL A 27 2.306 -7.509 -10.194 1.00 0.00 C ATOM 402 CG2 VAL A 27 1.629 -5.310 -9.162 1.00 0.00 C ATOM 0 H VAL A 27 2.453 -3.571 -10.639 1.00 0.00 H new ATOM 0 HA VAL A 27 4.241 -5.727 -10.175 1.00 0.00 H new ATOM 0 HB VAL A 27 1.427 -5.854 -11.216 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.352 -7.925 -9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.614 -7.988 -11.123 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.058 -7.689 -9.426 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.688 -5.771 -8.861 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.357 -5.412 -8.357 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.465 -4.253 -9.371 1.00 0.00 H new ATOM 412 N LEU A 28 3.111 -5.440 -13.256 1.00 0.00 N ATOM 413 CA LEU A 28 3.392 -5.800 -14.635 1.00 0.00 C ATOM 414 C LEU A 28 4.846 -5.451 -14.963 1.00 0.00 C ATOM 415 O LEU A 28 5.539 -6.222 -15.624 1.00 0.00 O ATOM 416 CB LEU A 28 2.377 -5.148 -15.577 1.00 0.00 C ATOM 417 CG LEU A 28 1.811 -6.047 -16.678 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.510 -6.715 -16.226 1.00 0.00 C ATOM 419 CD2 LEU A 28 1.631 -5.269 -17.983 1.00 0.00 C ATOM 0 H LEU A 28 2.274 -4.871 -13.125 1.00 0.00 H new ATOM 0 HA LEU A 28 3.281 -6.875 -14.778 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.546 -4.771 -14.980 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.849 -4.285 -16.047 1.00 0.00 H new ATOM 0 HG LEU A 28 2.531 -6.842 -16.873 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.129 -7.348 -17.027 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.701 -7.324 -15.342 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.228 -5.949 -15.986 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.227 -5.931 -18.749 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.942 -4.440 -17.820 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.595 -4.880 -18.311 1.00 0.00 H new ATOM 431 N ARG A 29 5.263 -4.288 -14.484 1.00 0.00 N ATOM 432 CA ARG A 29 6.622 -3.828 -14.717 1.00 0.00 C ATOM 433 C ARG A 29 6.985 -2.722 -13.724 1.00 0.00 C ATOM 434 O ARG A 29 6.105 -2.103 -13.128 1.00 0.00 O ATOM 435 CB ARG A 29 6.786 -3.297 -16.144 1.00 0.00 C ATOM 436 CG ARG A 29 6.154 -1.912 -16.290 1.00 0.00 C ATOM 437 CD ARG A 29 4.638 -2.018 -16.469 1.00 0.00 C ATOM 438 NE ARG A 29 4.304 -2.136 -17.906 1.00 0.00 N ATOM 439 CZ ARG A 29 3.104 -1.845 -18.425 1.00 0.00 C ATOM 440 NH1 ARG A 29 2.115 -1.417 -17.628 1.00 0.00 N ATOM 441 NH2 ARG A 29 2.892 -1.981 -19.741 1.00 0.00 N ATOM 0 H ARG A 29 4.685 -3.651 -13.936 1.00 0.00 H new ATOM 0 HA ARG A 29 7.289 -4.679 -14.579 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.845 -3.246 -16.397 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.323 -3.988 -16.848 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.379 -1.311 -15.409 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.590 -1.398 -17.146 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.259 -2.885 -15.927 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.151 -1.140 -16.045 1.00 0.00 H new ATOM 0 HE ARG A 29 5.034 -2.459 -18.541 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.276 -1.313 -16.626 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.201 -1.195 -18.023 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.645 -2.306 -20.348 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.978 -1.759 -20.136 1.00 0.00 H new ATOM 455 N SER A 30 8.284 -2.506 -13.577 1.00 0.00 N ATOM 456 CA SER A 30 8.775 -1.485 -12.667 1.00 0.00 C ATOM 457 C SER A 30 9.137 -0.220 -13.446 1.00 0.00 C ATOM 458 O SER A 30 10.313 0.122 -13.569 1.00 0.00 O ATOM 459 CB SER A 30 9.985 -1.987 -11.877 1.00 0.00 C ATOM 460 OG SER A 30 9.683 -3.159 -11.124 1.00 0.00 O ATOM 0 H SER A 30 9.012 -3.021 -14.073 1.00 0.00 H new ATOM 0 HA SER A 30 7.983 -1.251 -11.956 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.804 -2.199 -12.564 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.329 -1.202 -11.203 1.00 0.00 H new ATOM 0 HG SER A 30 10.482 -3.449 -10.635 1.00 0.00 H new ATOM 466 N GLY A 31 8.107 0.442 -13.951 1.00 0.00 N ATOM 467 CA GLY A 31 8.302 1.662 -14.715 1.00 0.00 C ATOM 468 C GLY A 31 7.552 2.834 -14.078 1.00 0.00 C ATOM 469 O GLY A 31 8.043 3.962 -14.076 1.00 0.00 O ATOM 0 H GLY A 31 7.134 0.156 -13.846 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.366 1.894 -14.771 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.953 1.515 -15.737 1.00 0.00 H new ATOM 473 N ILE A 32 6.375 2.526 -13.554 1.00 0.00 N ATOM 474 CA ILE A 32 5.552 3.539 -12.916 1.00 0.00 C ATOM 475 C ILE A 32 6.323 4.155 -11.746 1.00 0.00 C ATOM 476 O ILE A 32 7.286 3.567 -11.256 1.00 0.00 O ATOM 477 CB ILE A 32 4.195 2.955 -12.517 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.236 4.057 -12.061 1.00 0.00 C ATOM 479 CG2 ILE A 32 4.358 1.862 -11.458 1.00 0.00 C ATOM 480 CD1 ILE A 32 1.868 3.476 -11.695 1.00 0.00 C ATOM 0 H ILE A 32 5.972 1.589 -13.558 1.00 0.00 H new ATOM 0 HA ILE A 32 5.333 4.346 -13.615 1.00 0.00 H new ATOM 0 HB ILE A 32 3.753 2.487 -13.397 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.657 4.577 -11.200 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.121 4.795 -12.854 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.379 1.464 -11.192 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.980 1.060 -11.856 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.832 2.283 -10.571 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.205 4.280 -11.374 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.440 2.978 -12.565 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.983 2.756 -10.885 1.00 0.00 H new ATOM 492 N SER A 33 5.872 5.330 -11.335 1.00 0.00 N ATOM 493 CA SER A 33 6.508 6.032 -10.233 1.00 0.00 C ATOM 494 C SER A 33 5.571 6.067 -9.024 1.00 0.00 C ATOM 495 O SER A 33 4.456 6.578 -9.114 1.00 0.00 O ATOM 496 CB SER A 33 6.904 7.452 -10.639 1.00 0.00 C ATOM 497 OG SER A 33 8.317 7.632 -10.648 1.00 0.00 O ATOM 0 H SER A 33 5.073 5.814 -11.745 1.00 0.00 H new ATOM 0 HA SER A 33 7.417 5.494 -9.965 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.505 7.670 -11.630 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.452 8.165 -9.949 1.00 0.00 H new ATOM 0 HG SER A 33 8.528 8.551 -10.914 1.00 0.00 H new ATOM 503 N ILE A 34 6.057 5.515 -7.922 1.00 0.00 N ATOM 504 CA ILE A 34 5.276 5.477 -6.697 1.00 0.00 C ATOM 505 C ILE A 34 6.215 5.601 -5.495 1.00 0.00 C ATOM 506 O ILE A 34 7.427 5.440 -5.630 1.00 0.00 O ATOM 507 CB ILE A 34 4.395 4.228 -6.662 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.227 2.976 -6.382 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.578 4.097 -7.950 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.428 1.955 -5.571 1.00 0.00 C ATOM 0 H ILE A 34 6.982 5.090 -7.852 1.00 0.00 H new ATOM 0 HA ILE A 34 4.591 6.323 -6.656 1.00 0.00 H new ATOM 0 HB ILE A 34 3.687 4.333 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.545 2.529 -7.324 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.131 3.250 -5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.960 3.201 -7.899 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.939 4.972 -8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.253 4.025 -8.803 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.044 1.075 -5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.132 2.397 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.537 1.664 -6.128 1.00 0.00 H new ATOM 522 N ASN A 35 5.620 5.886 -4.346 1.00 0.00 N ATOM 523 CA ASN A 35 6.387 6.033 -3.122 1.00 0.00 C ATOM 524 C ASN A 35 6.574 4.659 -2.474 1.00 0.00 C ATOM 525 O ASN A 35 6.149 4.440 -1.341 1.00 0.00 O ATOM 526 CB ASN A 35 5.660 6.932 -2.121 1.00 0.00 C ATOM 527 CG ASN A 35 4.749 7.930 -2.839 1.00 0.00 C ATOM 528 OD1 ASN A 35 3.566 7.431 -3.181 1.00 0.00 O flip ATOM 529 ND2 ASN A 35 5.099 9.076 -3.069 1.00 0.00 N flip ATOM 0 H ASN A 35 4.615 6.019 -4.238 1.00 0.00 H new ATOM 0 HA ASN A 35 7.347 6.481 -3.378 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.069 6.320 -1.440 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.389 7.470 -1.515 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.023 9.395 -2.778 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.467 9.715 -3.552 1.00 0.00 H new ATOM 536 N THR A 36 7.211 3.770 -3.221 1.00 0.00 N ATOM 537 CA THR A 36 7.459 2.423 -2.734 1.00 0.00 C ATOM 538 C THR A 36 8.329 2.463 -1.475 1.00 0.00 C ATOM 539 O THR A 36 8.494 1.450 -0.798 1.00 0.00 O ATOM 540 CB THR A 36 8.079 1.614 -3.875 1.00 0.00 C ATOM 541 OG1 THR A 36 8.361 0.347 -3.289 1.00 0.00 O ATOM 542 CG2 THR A 36 9.452 2.146 -4.292 1.00 0.00 C ATOM 0 H THR A 36 7.563 3.956 -4.160 1.00 0.00 H new ATOM 0 HA THR A 36 6.532 1.933 -2.436 1.00 0.00 H new ATOM 0 HB THR A 36 7.409 1.627 -4.734 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.404 0.440 -2.314 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.847 1.536 -5.105 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.356 3.179 -4.627 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.133 2.102 -3.442 1.00 0.00 H new ATOM 550 N ASP A 37 8.861 3.645 -1.201 1.00 0.00 N ATOM 551 CA ASP A 37 9.710 3.831 -0.035 1.00 0.00 C ATOM 552 C ASP A 37 9.212 2.935 1.100 1.00 0.00 C ATOM 553 O ASP A 37 9.877 1.970 1.473 1.00 0.00 O ATOM 554 CB ASP A 37 9.666 5.280 0.452 1.00 0.00 C ATOM 555 CG ASP A 37 10.915 6.106 0.134 1.00 0.00 C ATOM 556 OD1 ASP A 37 11.515 5.840 -0.930 1.00 0.00 O ATOM 557 OD2 ASP A 37 11.239 6.985 0.961 1.00 0.00 O ATOM 0 H ASP A 37 8.721 4.483 -1.765 1.00 0.00 H new ATOM 0 HA ASP A 37 10.732 3.576 -0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.801 5.771 0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.513 5.281 1.531 1.00 0.00 H new ATOM 562 N ASN A 38 8.045 3.287 1.621 1.00 0.00 N ATOM 563 CA ASN A 38 7.449 2.528 2.707 1.00 0.00 C ATOM 564 C ASN A 38 6.095 1.975 2.255 1.00 0.00 C ATOM 565 O ASN A 38 5.154 1.907 3.045 1.00 0.00 O ATOM 566 CB ASN A 38 7.214 3.412 3.933 1.00 0.00 C ATOM 567 CG ASN A 38 6.950 4.861 3.522 1.00 0.00 C ATOM 568 OD1 ASN A 38 7.812 5.556 3.011 1.00 0.00 O ATOM 569 ND2 ASN A 38 5.710 5.275 3.772 1.00 0.00 N ATOM 0 H ASN A 38 7.496 4.089 1.310 1.00 0.00 H new ATOM 0 HA ASN A 38 8.134 1.722 2.970 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.366 3.032 4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.084 3.369 4.589 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.432 6.227 3.533 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.037 4.640 4.202 1.00 0.00 H new ATOM 576 N ALA A 39 6.040 1.596 0.987 1.00 0.00 N ATOM 577 CA ALA A 39 4.817 1.053 0.422 1.00 0.00 C ATOM 578 C ALA A 39 4.880 -0.476 0.455 1.00 0.00 C ATOM 579 O ALA A 39 3.855 -1.146 0.343 1.00 0.00 O ATOM 580 CB ALA A 39 4.623 1.597 -0.995 1.00 0.00 C ATOM 0 H ALA A 39 6.822 1.654 0.335 1.00 0.00 H new ATOM 0 HA ALA A 39 3.953 1.361 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.705 1.189 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.555 2.684 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.470 1.305 -1.616 1.00 0.00 H new ATOM 586 N ASP A 40 6.096 -0.983 0.609 1.00 0.00 N ATOM 587 CA ASP A 40 6.305 -2.420 0.658 1.00 0.00 C ATOM 588 C ASP A 40 6.838 -2.806 2.040 1.00 0.00 C ATOM 589 O ASP A 40 8.010 -2.589 2.339 1.00 0.00 O ATOM 590 CB ASP A 40 7.333 -2.862 -0.385 1.00 0.00 C ATOM 591 CG ASP A 40 7.401 -4.371 -0.628 1.00 0.00 C ATOM 592 OD1 ASP A 40 6.411 -5.048 -0.273 1.00 0.00 O ATOM 593 OD2 ASP A 40 8.441 -4.815 -1.162 1.00 0.00 O ATOM 0 H ASP A 40 6.945 -0.425 0.701 1.00 0.00 H new ATOM 0 HA ASP A 40 5.352 -2.907 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.106 -2.367 -1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.318 -2.515 -0.072 1.00 0.00 H new ATOM 598 N LEU A 41 5.950 -3.372 2.844 1.00 0.00 N ATOM 599 CA LEU A 41 6.317 -3.791 4.186 1.00 0.00 C ATOM 600 C LEU A 41 6.267 -5.317 4.272 1.00 0.00 C ATOM 601 O LEU A 41 5.624 -5.873 5.160 1.00 0.00 O ATOM 602 CB LEU A 41 5.439 -3.088 5.224 1.00 0.00 C ATOM 603 CG LEU A 41 5.264 -1.579 5.044 1.00 0.00 C ATOM 604 CD1 LEU A 41 6.619 -0.874 4.974 1.00 0.00 C ATOM 605 CD2 LEU A 41 4.395 -1.271 3.822 1.00 0.00 C ATOM 0 H LEU A 41 4.978 -3.550 2.592 1.00 0.00 H new ATOM 0 HA LEU A 41 7.341 -3.493 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.453 -3.552 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.863 -3.269 6.212 1.00 0.00 H new ATOM 0 HG LEU A 41 4.743 -1.189 5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.465 0.197 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.171 -1.054 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.188 -1.263 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.286 -0.192 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.867 -1.678 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.412 -1.724 3.951 1.00 0.00 H new ATOM 617 N ASN A 42 6.955 -5.953 3.334 1.00 0.00 N ATOM 618 CA ASN A 42 6.999 -7.405 3.292 1.00 0.00 C ATOM 619 C ASN A 42 8.160 -7.851 2.402 1.00 0.00 C ATOM 620 O ASN A 42 8.741 -8.914 2.619 1.00 0.00 O ATOM 621 CB ASN A 42 5.707 -7.977 2.706 1.00 0.00 C ATOM 622 CG ASN A 42 4.492 -7.542 3.528 1.00 0.00 C ATOM 623 OD1 ASN A 42 4.047 -6.407 3.473 1.00 0.00 O ATOM 624 ND2 ASN A 42 3.981 -8.505 4.291 1.00 0.00 N ATOM 0 H ASN A 42 7.486 -5.489 2.597 1.00 0.00 H new ATOM 0 HA ASN A 42 7.125 -7.768 4.312 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.592 -7.642 1.675 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.764 -9.065 2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.168 -8.314 4.877 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.402 -9.434 4.290 1.00 0.00 H new ATOM 631 N GLU A 43 8.464 -7.017 1.419 1.00 0.00 N ATOM 632 CA GLU A 43 9.546 -7.311 0.495 1.00 0.00 C ATOM 633 C GLU A 43 9.034 -8.165 -0.667 1.00 0.00 C ATOM 634 O GLU A 43 9.749 -9.032 -1.167 1.00 0.00 O ATOM 635 CB GLU A 43 10.707 -8.002 1.212 1.00 0.00 C ATOM 636 CG GLU A 43 12.044 -7.654 0.554 1.00 0.00 C ATOM 637 CD GLU A 43 13.032 -8.817 0.671 1.00 0.00 C ATOM 638 OE1 GLU A 43 12.617 -9.862 1.218 1.00 0.00 O ATOM 639 OE2 GLU A 43 14.181 -8.633 0.213 1.00 0.00 O ATOM 0 H GLU A 43 7.980 -6.137 1.242 1.00 0.00 H new ATOM 0 HA GLU A 43 9.919 -6.369 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.724 -7.700 2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.559 -9.082 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.884 -7.412 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.465 -6.766 1.025 1.00 0.00 H new ATOM 646 N ASP A 44 7.799 -7.891 -1.063 1.00 0.00 N ATOM 647 CA ASP A 44 7.183 -8.624 -2.155 1.00 0.00 C ATOM 648 C ASP A 44 6.928 -7.669 -3.323 1.00 0.00 C ATOM 649 O ASP A 44 6.962 -8.079 -4.483 1.00 0.00 O ATOM 650 CB ASP A 44 5.839 -9.220 -1.731 1.00 0.00 C ATOM 651 CG ASP A 44 5.475 -9.008 -0.259 1.00 0.00 C ATOM 652 OD1 ASP A 44 6.255 -9.484 0.593 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.423 -8.376 -0.021 1.00 0.00 O ATOM 0 H ASP A 44 7.209 -7.171 -0.646 1.00 0.00 H new ATOM 0 HA ASP A 44 7.859 -9.429 -2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.054 -8.786 -2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.852 -10.290 -1.936 1.00 0.00 H new ATOM 658 N GLY A 45 6.678 -6.415 -2.977 1.00 0.00 N ATOM 659 CA GLY A 45 6.417 -5.399 -3.983 1.00 0.00 C ATOM 660 C GLY A 45 5.582 -4.255 -3.403 1.00 0.00 C ATOM 661 O GLY A 45 6.114 -3.190 -3.091 1.00 0.00 O ATOM 0 H GLY A 45 6.651 -6.079 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.361 -5.008 -4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.892 -5.845 -4.828 1.00 0.00 H new ATOM 665 N ARG A 46 4.290 -4.514 -3.276 1.00 0.00 N ATOM 666 CA ARG A 46 3.376 -3.520 -2.740 1.00 0.00 C ATOM 667 C ARG A 46 2.162 -4.201 -2.105 1.00 0.00 C ATOM 668 O ARG A 46 1.972 -4.135 -0.892 1.00 0.00 O ATOM 669 CB ARG A 46 2.900 -2.561 -3.834 1.00 0.00 C ATOM 670 CG ARG A 46 3.854 -1.374 -3.975 1.00 0.00 C ATOM 671 CD ARG A 46 4.314 -1.209 -5.425 1.00 0.00 C ATOM 672 NE ARG A 46 4.709 -2.522 -5.983 1.00 0.00 N ATOM 673 CZ ARG A 46 5.943 -3.036 -5.892 1.00 0.00 C ATOM 674 NH1 ARG A 46 6.910 -2.351 -5.266 1.00 0.00 N ATOM 675 NH2 ARG A 46 6.211 -4.234 -6.428 1.00 0.00 N ATOM 0 H ARG A 46 3.853 -5.399 -3.535 1.00 0.00 H new ATOM 0 HA ARG A 46 3.914 -2.950 -1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.832 -3.092 -4.783 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.899 -2.201 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.358 -0.463 -3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.720 -1.520 -3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.512 -0.777 -6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.155 -0.517 -5.472 1.00 0.00 H new ATOM 0 HE ARG A 46 3.997 -3.070 -6.467 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.707 -1.438 -4.859 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.849 -2.742 -5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.476 -4.755 -6.906 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.150 -4.625 -6.359 1.00 0.00 H new ATOM 689 N VAL A 47 1.372 -4.843 -2.955 1.00 0.00 N ATOM 690 CA VAL A 47 0.181 -5.535 -2.492 1.00 0.00 C ATOM 691 C VAL A 47 -0.051 -6.773 -3.360 1.00 0.00 C ATOM 692 O VAL A 47 -0.987 -6.809 -4.158 1.00 0.00 O ATOM 693 CB VAL A 47 -1.011 -4.578 -2.483 1.00 0.00 C ATOM 694 CG1 VAL A 47 -0.710 -3.335 -1.642 1.00 0.00 C ATOM 695 CG2 VAL A 47 -1.415 -4.191 -3.908 1.00 0.00 C ATOM 0 H VAL A 47 1.534 -4.898 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 47 0.311 -5.877 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.853 -5.097 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.574 -2.671 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.494 -3.633 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.153 -2.814 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.265 -3.510 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.577 -3.700 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.691 -5.087 -4.464 1.00 0.00 H new ATOM 705 N ASN A 48 0.815 -7.759 -3.175 1.00 0.00 N ATOM 706 CA ASN A 48 0.715 -8.995 -3.931 1.00 0.00 C ATOM 707 C ASN A 48 -0.644 -9.645 -3.660 1.00 0.00 C ATOM 708 O ASN A 48 -1.278 -10.169 -4.574 1.00 0.00 O ATOM 709 CB ASN A 48 1.805 -9.985 -3.515 1.00 0.00 C ATOM 710 CG ASN A 48 1.715 -10.303 -2.021 1.00 0.00 C ATOM 711 OD1 ASN A 48 1.030 -11.219 -1.596 1.00 0.00 O ATOM 712 ND2 ASN A 48 2.441 -9.498 -1.252 1.00 0.00 N ATOM 0 H ASN A 48 1.589 -7.726 -2.512 1.00 0.00 H new ATOM 0 HA ASN A 48 0.831 -8.755 -4.988 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.706 -10.904 -4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.786 -9.569 -3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.447 -9.628 -0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.992 -8.750 -1.674 1.00 0.00 H new ATOM 719 N SER A 49 -1.049 -9.589 -2.401 1.00 0.00 N ATOM 720 CA SER A 49 -2.321 -10.166 -1.997 1.00 0.00 C ATOM 721 C SER A 49 -2.390 -10.266 -0.472 1.00 0.00 C ATOM 722 O SER A 49 -3.468 -10.168 0.111 1.00 0.00 O ATOM 723 CB SER A 49 -2.525 -11.544 -2.630 1.00 0.00 C ATOM 724 OG SER A 49 -3.396 -11.491 -3.756 1.00 0.00 O ATOM 0 H SER A 49 -0.519 -9.153 -1.646 1.00 0.00 H new ATOM 0 HA SER A 49 -3.120 -9.513 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.560 -11.948 -2.937 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.935 -12.227 -1.886 1.00 0.00 H new ATOM 0 HG SER A 49 -2.964 -10.992 -4.480 1.00 0.00 H new ATOM 730 N THR A 50 -1.226 -10.459 0.130 1.00 0.00 N ATOM 731 CA THR A 50 -1.141 -10.573 1.575 1.00 0.00 C ATOM 732 C THR A 50 -1.146 -9.186 2.221 1.00 0.00 C ATOM 733 O THR A 50 -1.678 -9.008 3.317 1.00 0.00 O ATOM 734 CB THR A 50 0.104 -11.395 1.913 1.00 0.00 C ATOM 735 OG1 THR A 50 -0.298 -12.743 1.687 1.00 0.00 O ATOM 736 CG2 THR A 50 0.447 -11.354 3.404 1.00 0.00 C ATOM 0 H THR A 50 -0.334 -10.539 -0.357 1.00 0.00 H new ATOM 0 HA THR A 50 -2.010 -11.090 1.982 1.00 0.00 H new ATOM 0 HB THR A 50 0.951 -11.024 1.336 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.451 -13.345 1.881 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.338 -11.953 3.589 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.634 -10.323 3.706 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.386 -11.756 3.980 1.00 0.00 H new ATOM 744 N ASP A 51 -0.548 -8.238 1.516 1.00 0.00 N ATOM 745 CA ASP A 51 -0.477 -6.872 2.006 1.00 0.00 C ATOM 746 C ASP A 51 -1.852 -6.215 1.876 1.00 0.00 C ATOM 747 O ASP A 51 -2.308 -5.533 2.793 1.00 0.00 O ATOM 748 CB ASP A 51 0.520 -6.045 1.191 1.00 0.00 C ATOM 749 CG ASP A 51 1.390 -5.089 2.010 1.00 0.00 C ATOM 750 OD1 ASP A 51 1.866 -5.529 3.078 1.00 0.00 O ATOM 751 OD2 ASP A 51 1.557 -3.940 1.549 1.00 0.00 O ATOM 0 H ASP A 51 -0.108 -8.389 0.608 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.154 -6.904 3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.171 -6.726 0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.031 -5.466 0.450 1.00 0.00 H new ATOM 756 N LEU A 52 -2.477 -6.445 0.730 1.00 0.00 N ATOM 757 CA LEU A 52 -3.792 -5.884 0.468 1.00 0.00 C ATOM 758 C LEU A 52 -4.627 -5.936 1.750 1.00 0.00 C ATOM 759 O LEU A 52 -5.058 -4.902 2.256 1.00 0.00 O ATOM 760 CB LEU A 52 -4.446 -6.588 -0.721 1.00 0.00 C ATOM 761 CG LEU A 52 -5.211 -5.688 -1.695 1.00 0.00 C ATOM 762 CD1 LEU A 52 -4.939 -6.093 -3.145 1.00 0.00 C ATOM 763 CD2 LEU A 52 -6.706 -5.676 -1.374 1.00 0.00 C ATOM 0 H LEU A 52 -2.097 -7.012 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.710 -4.835 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.671 -7.115 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.133 -7.343 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.848 -4.667 -1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.494 -5.438 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.873 -6.006 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.256 -7.124 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.225 -5.029 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.103 -6.688 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.858 -5.302 -0.361 1.00 0.00 H new ATOM 775 N GLY A 53 -4.831 -7.152 2.236 1.00 0.00 N ATOM 776 CA GLY A 53 -5.606 -7.353 3.448 1.00 0.00 C ATOM 777 C GLY A 53 -5.067 -6.494 4.594 1.00 0.00 C ATOM 778 O GLY A 53 -5.690 -5.507 4.982 1.00 0.00 O ATOM 0 H GLY A 53 -4.473 -8.008 1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.650 -7.103 3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.576 -8.405 3.732 1.00 0.00 H new ATOM 782 N ILE A 54 -3.913 -6.902 5.103 1.00 0.00 N ATOM 783 CA ILE A 54 -3.281 -6.183 6.196 1.00 0.00 C ATOM 784 C ILE A 54 -3.439 -4.678 5.969 1.00 0.00 C ATOM 785 O ILE A 54 -3.723 -3.932 6.904 1.00 0.00 O ATOM 786 CB ILE A 54 -1.829 -6.631 6.363 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.618 -7.314 7.716 1.00 0.00 C ATOM 788 CG2 ILE A 54 -0.866 -5.460 6.156 1.00 0.00 C ATOM 789 CD1 ILE A 54 -1.928 -6.357 8.868 1.00 0.00 C ATOM 0 H ILE A 54 -3.400 -7.721 4.778 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.772 -6.416 7.141 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.609 -7.369 5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.258 -8.193 7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.588 -7.662 7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.160 -5.806 6.280 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.994 -5.057 5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.077 -4.681 6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.770 -6.868 9.818 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.270 -5.490 8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.966 -6.030 8.800 1.00 0.00 H new ATOM 801 N LEU A 55 -3.247 -4.276 4.721 1.00 0.00 N ATOM 802 CA LEU A 55 -3.364 -2.875 4.359 1.00 0.00 C ATOM 803 C LEU A 55 -4.795 -2.402 4.621 1.00 0.00 C ATOM 804 O LEU A 55 -5.018 -1.504 5.431 1.00 0.00 O ATOM 805 CB LEU A 55 -2.896 -2.651 2.919 1.00 0.00 C ATOM 806 CG LEU A 55 -1.411 -2.330 2.739 1.00 0.00 C ATOM 807 CD1 LEU A 55 -1.148 -0.835 2.928 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.547 -3.186 3.667 1.00 0.00 C ATOM 0 H LEU A 55 -3.011 -4.898 3.948 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.708 -2.266 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.127 -3.545 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.478 -1.835 2.491 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.129 -2.581 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.085 -0.633 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.720 -0.269 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.451 -0.536 3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.504 -2.937 3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.823 -2.991 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.706 -4.241 3.442 1.00 0.00 H new ATOM 820 N LYS A 56 -5.728 -3.029 3.920 1.00 0.00 N ATOM 821 CA LYS A 56 -7.132 -2.685 4.066 1.00 0.00 C ATOM 822 C LYS A 56 -7.579 -2.982 5.500 1.00 0.00 C ATOM 823 O LYS A 56 -8.711 -2.680 5.875 1.00 0.00 O ATOM 824 CB LYS A 56 -7.972 -3.393 3.001 1.00 0.00 C ATOM 825 CG LYS A 56 -8.203 -4.859 3.371 1.00 0.00 C ATOM 826 CD LYS A 56 -9.697 -5.182 3.423 1.00 0.00 C ATOM 827 CE LYS A 56 -9.960 -6.425 4.276 1.00 0.00 C ATOM 828 NZ LYS A 56 -10.617 -7.478 3.469 1.00 0.00 N ATOM 0 H LYS A 56 -5.539 -3.774 3.249 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.282 -1.618 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.931 -2.886 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.469 -3.333 2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.713 -5.504 2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.748 -5.070 4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.242 -4.332 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.073 -5.344 2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.020 -6.801 4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.590 -6.163 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.788 -8.314 4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.523 -7.121 3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.002 -7.739 2.672 1.00 0.00 H new ATOM 842 N ARG A 57 -6.667 -3.569 6.261 1.00 0.00 N ATOM 843 CA ARG A 57 -6.953 -3.910 7.643 1.00 0.00 C ATOM 844 C ARG A 57 -6.563 -2.754 8.567 1.00 0.00 C ATOM 845 O ARG A 57 -7.354 -2.334 9.410 1.00 0.00 O ATOM 846 CB ARG A 57 -6.196 -5.170 8.067 1.00 0.00 C ATOM 847 CG ARG A 57 -7.166 -6.285 8.464 1.00 0.00 C ATOM 848 CD ARG A 57 -7.456 -6.253 9.965 1.00 0.00 C ATOM 849 NE ARG A 57 -7.056 -7.535 10.585 1.00 0.00 N ATOM 850 CZ ARG A 57 -7.501 -7.966 11.774 1.00 0.00 C ATOM 851 NH1 ARG A 57 -8.362 -7.218 12.478 1.00 0.00 N ATOM 852 NH2 ARG A 57 -7.084 -9.142 12.260 1.00 0.00 N ATOM 0 H ARG A 57 -5.729 -3.817 5.946 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.024 -4.098 7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.561 -5.510 7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.539 -4.939 8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.097 -6.176 7.908 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.744 -7.253 8.192 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.914 -5.430 10.431 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.518 -6.073 10.135 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.401 -8.128 10.076 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.678 -6.321 12.109 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.701 -7.546 13.383 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.427 -9.711 11.726 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.423 -9.469 13.165 1.00 0.00 H new ATOM 866 N TYR A 58 -5.344 -2.272 8.375 1.00 0.00 N ATOM 867 CA TYR A 58 -4.839 -1.172 9.181 1.00 0.00 C ATOM 868 C TYR A 58 -5.160 0.175 8.531 1.00 0.00 C ATOM 869 O TYR A 58 -5.352 1.173 9.224 1.00 0.00 O ATOM 870 CB TYR A 58 -3.321 -1.352 9.235 1.00 0.00 C ATOM 871 CG TYR A 58 -2.558 -0.502 8.216 1.00 0.00 C ATOM 872 CD1 TYR A 58 -2.497 0.868 8.368 1.00 0.00 C ATOM 873 CD2 TYR A 58 -1.930 -1.107 7.147 1.00 0.00 C ATOM 874 CE1 TYR A 58 -1.779 1.667 7.409 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.212 -0.308 6.189 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.171 1.040 6.367 1.00 0.00 C ATOM 877 OH TYR A 58 -0.492 1.795 5.462 1.00 0.00 O ATOM 0 H TYR A 58 -4.691 -2.622 7.674 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.295 -1.179 10.171 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.971 -1.102 10.237 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.084 -2.403 9.067 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.988 1.341 9.206 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.977 -2.180 7.029 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.725 2.740 7.515 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.717 -0.769 5.347 1.00 0.00 H new ATOM 0 HH TYR A 58 0.464 1.780 5.676 1.00 0.00 H new ATOM 887 N ILE A 59 -5.206 0.161 7.206 1.00 0.00 N ATOM 888 CA ILE A 59 -5.500 1.370 6.455 1.00 0.00 C ATOM 889 C ILE A 59 -6.980 1.720 6.618 1.00 0.00 C ATOM 890 O ILE A 59 -7.379 2.862 6.397 1.00 0.00 O ATOM 891 CB ILE A 59 -5.061 1.214 4.998 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.116 0.459 4.185 1.00 0.00 C ATOM 893 CG2 ILE A 59 -3.686 0.550 4.906 1.00 0.00 C ATOM 894 CD1 ILE A 59 -6.790 1.384 3.169 1.00 0.00 C ATOM 0 H ILE A 59 -5.045 -0.668 6.634 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.929 2.211 6.848 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.968 2.209 4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.650 -0.379 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.867 0.041 4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.399 0.452 3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.951 1.162 5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.727 -0.438 5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.535 0.823 2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.276 2.207 3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.040 1.781 2.485 1.00 0.00 H new ATOM 906 N LEU A 60 -7.753 0.716 7.004 1.00 0.00 N ATOM 907 CA LEU A 60 -9.181 0.904 7.200 1.00 0.00 C ATOM 908 C LEU A 60 -9.452 1.222 8.671 1.00 0.00 C ATOM 909 O LEU A 60 -10.603 1.391 9.072 1.00 0.00 O ATOM 910 CB LEU A 60 -9.957 -0.308 6.680 1.00 0.00 C ATOM 911 CG LEU A 60 -11.450 -0.091 6.428 1.00 0.00 C ATOM 912 CD1 LEU A 60 -12.238 -0.127 7.739 1.00 0.00 C ATOM 913 CD2 LEU A 60 -11.693 1.205 5.651 1.00 0.00 C ATOM 0 H LEU A 60 -7.418 -0.230 7.186 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.536 1.755 6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.496 -0.637 5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.844 -1.121 7.397 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.814 -0.911 5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.297 0.030 7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.102 -1.096 8.219 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.878 0.660 8.402 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.762 1.335 5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.309 2.050 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.181 1.155 4.690 1.00 0.00 H new ATOM 925 N LYS A 61 -8.374 1.295 9.437 1.00 0.00 N ATOM 926 CA LYS A 61 -8.482 1.589 10.856 1.00 0.00 C ATOM 927 C LYS A 61 -7.740 2.893 11.158 1.00 0.00 C ATOM 928 O LYS A 61 -8.166 3.967 10.735 1.00 0.00 O ATOM 929 CB LYS A 61 -7.998 0.400 11.688 1.00 0.00 C ATOM 930 CG LYS A 61 -9.041 -0.720 11.701 1.00 0.00 C ATOM 931 CD LYS A 61 -8.467 -1.997 12.317 1.00 0.00 C ATOM 932 CE LYS A 61 -9.575 -3.013 12.605 1.00 0.00 C ATOM 933 NZ LYS A 61 -8.998 -4.281 13.104 1.00 0.00 N ATOM 0 H LYS A 61 -7.421 1.156 9.102 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.524 1.741 11.136 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.060 0.024 11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.794 0.724 12.709 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.916 -0.400 12.267 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.376 -0.922 10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.735 -2.435 11.639 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.941 -1.755 13.241 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.267 -2.606 13.343 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.150 -3.200 11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.720 -5.028 13.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.190 -4.553 12.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.678 -4.154 14.085 1.00 0.00 H new ATOM 947 N GLU A 62 -6.643 2.756 11.889 1.00 0.00 N ATOM 948 CA GLU A 62 -5.839 3.911 12.253 1.00 0.00 C ATOM 949 C GLU A 62 -4.978 4.354 11.069 1.00 0.00 C ATOM 950 O GLU A 62 -4.356 5.413 11.111 1.00 0.00 O ATOM 951 CB GLU A 62 -4.972 3.610 13.478 1.00 0.00 C ATOM 952 CG GLU A 62 -5.381 4.482 14.666 1.00 0.00 C ATOM 953 CD GLU A 62 -4.614 4.084 15.929 1.00 0.00 C ATOM 954 OE1 GLU A 62 -4.763 2.912 16.338 1.00 0.00 O ATOM 955 OE2 GLU A 62 -3.895 4.960 16.457 1.00 0.00 O ATOM 0 H GLU A 62 -6.292 1.864 12.239 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.511 4.729 12.514 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.066 2.557 13.745 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.923 3.785 13.238 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.190 5.530 14.435 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.452 4.385 14.841 1.00 0.00 H new ATOM 962 N ILE A 63 -4.971 3.519 10.039 1.00 0.00 N ATOM 963 CA ILE A 63 -4.197 3.811 8.845 1.00 0.00 C ATOM 964 C ILE A 63 -2.955 4.618 9.230 1.00 0.00 C ATOM 965 O ILE A 63 -2.997 5.846 9.274 1.00 0.00 O ATOM 966 CB ILE A 63 -5.073 4.497 7.793 1.00 0.00 C ATOM 967 CG1 ILE A 63 -4.261 4.839 6.542 1.00 0.00 C ATOM 968 CG2 ILE A 63 -5.771 5.726 8.378 1.00 0.00 C ATOM 969 CD1 ILE A 63 -3.377 6.065 6.780 1.00 0.00 C ATOM 0 H ILE A 63 -5.489 2.641 10.008 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.847 2.887 8.384 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.853 3.799 7.489 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.640 3.987 6.263 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.935 5.029 5.707 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.387 6.195 7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.402 5.423 9.214 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.023 6.438 8.727 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.811 6.286 5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.002 6.921 7.035 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.687 5.863 7.599 1.00 0.00 H new ATOM 981 N ASP A 64 -1.879 3.894 9.502 1.00 0.00 N ATOM 982 CA ASP A 64 -0.628 4.527 9.883 1.00 0.00 C ATOM 983 C ASP A 64 0.107 3.633 10.883 1.00 0.00 C ATOM 984 O ASP A 64 1.319 3.751 11.053 1.00 0.00 O ATOM 985 CB ASP A 64 -0.877 5.880 10.553 1.00 0.00 C ATOM 986 CG ASP A 64 0.235 6.350 11.493 1.00 0.00 C ATOM 987 OD1 ASP A 64 1.297 6.744 10.963 1.00 0.00 O ATOM 988 OD2 ASP A 64 -0.002 6.306 12.719 1.00 0.00 O ATOM 0 H ASP A 64 -1.848 2.875 9.466 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.036 4.675 8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.018 6.632 9.777 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.809 5.824 11.116 1.00 0.00 H new ATOM 993 N THR A 65 -0.659 2.757 11.519 1.00 0.00 N ATOM 994 CA THR A 65 -0.094 1.843 12.498 1.00 0.00 C ATOM 995 C THR A 65 0.477 0.604 11.805 1.00 0.00 C ATOM 996 O THR A 65 1.583 0.167 12.119 1.00 0.00 O ATOM 997 CB THR A 65 -1.183 1.517 13.522 1.00 0.00 C ATOM 998 OG1 THR A 65 -1.283 2.700 14.311 1.00 0.00 O ATOM 999 CG2 THR A 65 -0.747 0.441 14.519 1.00 0.00 C ATOM 0 H THR A 65 -1.664 2.661 11.376 1.00 0.00 H new ATOM 0 HA THR A 65 0.745 2.297 13.025 1.00 0.00 H new ATOM 0 HB THR A 65 -2.082 1.187 13.002 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.969 2.577 15.000 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.556 0.248 15.223 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.506 -0.477 13.982 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.133 0.784 15.063 1.00 0.00 H new ATOM 1007 N LEU A 66 -0.302 0.075 10.872 1.00 0.00 N ATOM 1008 CA LEU A 66 0.112 -1.105 10.131 1.00 0.00 C ATOM 1009 C LEU A 66 0.796 -2.086 11.086 1.00 0.00 C ATOM 1010 O LEU A 66 2.008 -2.019 11.288 1.00 0.00 O ATOM 1011 CB LEU A 66 0.977 -0.708 8.933 1.00 0.00 C ATOM 1012 CG LEU A 66 1.082 -1.741 7.811 1.00 0.00 C ATOM 1013 CD1 LEU A 66 1.545 -1.089 6.506 1.00 0.00 C ATOM 1014 CD2 LEU A 66 1.983 -2.907 8.220 1.00 0.00 C ATOM 0 H LEU A 66 -1.218 0.442 10.612 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.755 -1.618 9.713 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.579 0.216 8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.982 -0.488 9.293 1.00 0.00 H new ATOM 0 HG LEU A 66 0.088 -2.151 7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.611 -1.846 5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.830 -0.322 6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.524 -0.634 6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.040 -3.627 7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.982 -2.533 8.445 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.570 -3.393 9.104 1.00 0.00 H new ATOM 1026 N PRO A 67 -0.032 -2.999 11.661 1.00 0.00 N ATOM 1027 CA PRO A 67 0.481 -3.993 12.589 1.00 0.00 C ATOM 1028 C PRO A 67 1.238 -5.096 11.847 1.00 0.00 C ATOM 1029 O PRO A 67 1.781 -6.008 12.469 1.00 0.00 O ATOM 1030 CB PRO A 67 -0.743 -4.507 13.330 1.00 0.00 C ATOM 1031 CG PRO A 67 -1.939 -4.124 12.474 1.00 0.00 C ATOM 1032 CD PRO A 67 -1.471 -3.108 11.446 1.00 0.00 C ATOM 0 HA PRO A 67 1.209 -3.581 13.288 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.691 -5.587 13.468 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.814 -4.062 14.322 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.352 -5.004 11.980 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.732 -3.704 13.093 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.696 -3.438 10.432 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.966 -2.147 11.585 1.00 0.00 H new ATOM 1040 N TYR A 68 1.250 -4.978 10.527 1.00 0.00 N ATOM 1041 CA TYR A 68 1.930 -5.953 9.694 1.00 0.00 C ATOM 1042 C TYR A 68 1.823 -7.358 10.294 1.00 0.00 C ATOM 1043 O TYR A 68 2.798 -8.107 10.306 1.00 0.00 O ATOM 1044 CB TYR A 68 3.401 -5.534 9.670 1.00 0.00 C ATOM 1045 CG TYR A 68 3.938 -5.066 11.024 1.00 0.00 C ATOM 1046 CD1 TYR A 68 4.272 -5.991 11.991 1.00 0.00 C ATOM 1047 CD2 TYR A 68 4.086 -3.717 11.279 1.00 0.00 C ATOM 1048 CE1 TYR A 68 4.777 -5.550 13.266 1.00 0.00 C ATOM 1049 CE2 TYR A 68 4.591 -3.277 12.553 1.00 0.00 C ATOM 1050 CZ TYR A 68 4.911 -4.215 13.484 1.00 0.00 C ATOM 1051 OH TYR A 68 5.388 -3.798 14.687 1.00 0.00 O ATOM 0 H TYR A 68 0.799 -4.220 10.014 1.00 0.00 H new ATOM 0 HA TYR A 68 1.487 -5.983 8.699 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.002 -6.375 9.324 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.527 -4.731 8.944 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.155 -7.046 11.792 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.823 -2.992 10.523 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.043 -6.264 14.031 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.713 -2.225 12.765 1.00 0.00 H new ATOM 0 HH TYR A 68 5.431 -2.819 14.700 1.00 0.00 H new ATOM 1061 N LYS A 69 0.629 -7.670 10.776 1.00 0.00 N ATOM 1062 CA LYS A 69 0.382 -8.970 11.376 1.00 0.00 C ATOM 1063 C LYS A 69 -0.555 -9.774 10.472 1.00 0.00 C ATOM 1064 O LYS A 69 -1.062 -9.254 9.479 1.00 0.00 O ATOM 1065 CB LYS A 69 -0.133 -8.810 12.807 1.00 0.00 C ATOM 1066 CG LYS A 69 0.939 -9.208 13.824 1.00 0.00 C ATOM 1067 CD LYS A 69 0.610 -10.556 14.469 1.00 0.00 C ATOM 1068 CE LYS A 69 1.559 -11.648 13.970 1.00 0.00 C ATOM 1069 NZ LYS A 69 2.762 -11.722 14.828 1.00 0.00 N ATOM 0 H LYS A 69 -0.177 -7.045 10.763 1.00 0.00 H new ATOM 0 HA LYS A 69 1.311 -9.535 11.457 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.433 -7.776 12.976 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.021 -9.427 12.949 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.910 -9.264 13.331 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.016 -8.441 14.595 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.684 -10.472 15.553 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.420 -10.831 14.240 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.047 -12.610 13.968 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.852 -11.441 12.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.395 -12.468 14.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.259 -10.809 14.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.479 -11.941 15.804 1.00 0.00 H new ATOM 1083 N ASN A 70 -0.756 -11.028 10.847 1.00 0.00 N ATOM 1084 CA ASN A 70 -1.623 -11.909 10.083 1.00 0.00 C ATOM 1085 C ASN A 70 -1.007 -12.151 8.703 1.00 0.00 C ATOM 1086 O ASN A 70 -0.723 -11.204 7.971 1.00 0.00 O ATOM 1087 CB ASN A 70 -3.004 -11.283 9.881 1.00 0.00 C ATOM 1088 CG ASN A 70 -4.086 -12.102 10.589 1.00 0.00 C ATOM 1089 OD1 ASN A 70 -3.827 -12.850 11.516 1.00 0.00 O ATOM 1090 ND2 ASN A 70 -5.309 -11.919 10.101 1.00 0.00 N ATOM 0 H ASN A 70 -0.333 -11.456 11.671 1.00 0.00 H new ATOM 0 HA ASN A 70 -1.728 -12.842 10.636 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.005 -10.263 10.266 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.227 -11.222 8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.100 -12.421 10.505 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.457 -11.277 9.322 1.00 0.00 H new ATOM 1097 N GLY A 71 -0.820 -13.424 8.389 1.00 0.00 N ATOM 1098 CA GLY A 71 -0.244 -13.803 7.110 1.00 0.00 C ATOM 1099 C GLY A 71 -1.336 -14.038 6.064 1.00 0.00 C ATOM 1100 O GLY A 71 -2.522 -13.907 6.362 1.00 0.00 O ATOM 0 H GLY A 71 -1.057 -14.207 8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.432 -13.020 6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.351 -14.708 7.229 1.00 0.00 H new TER 1104 GLY A 71 HETATM 1105 CA CA A 72 -3.702 5.970 -2.351 1.00 0.00 CA HETATM 1106 CA CA A 73 3.569 -5.801 0.781 1.00 0.00 CA