USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 807 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 47 TYR OH : rot 94:sc= -1.48 USER MOD Set 1.2: A 96 LYS NZ :NH3+ 176:sc= 0.205 (180deg=0) USER MOD Set 2.1: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= -0.019 USER MOD Set 3.1: A 8 GLN : amide:sc= -9.27! C(o=-9.3!,f=-10!) USER MOD Set 3.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 17 GLN : amide:sc= -1.54! C(o=-1.5!,f=-3!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -21:sc= -0.231! USER MOD Single : A 7 SER OG : rot 78:sc= 0.543 USER MOD Single : A 9 SER OG : rot 180:sc= 0.045 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -2.57 X(o=-2.6,f=-2.7) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 63:sc= 0.232 USER MOD Single : A 43 CYS SG : rot 59:sc= -2.72! USER MOD Single : A 44 SER OG : rot -11:sc= 1.07 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= -0.131 (180deg=-0.178) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -44:sc= 0.932 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -148:sc= -8.04! (180deg=-11.5!) USER MOD Single : A 54 LYS NZ :NH3+ -104:sc= -0.184 (180deg=-0.39) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 120:sc= -0.178 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.06) USER MOD Single : A 72 MET CE :methyl 156:sc= -0.884 (180deg=-2.71!) USER MOD Single : A 74 THR OG1 : rot -77:sc= 0.889 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 142:sc= -0.946! USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= -0.925 (180deg=-1.36) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.126 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.465 K(o=-0.47,f=-3.6!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot -39:sc= -1.7 USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 5.422 8.859 -1.796 1.00 0.00 N ATOM 12 CA VAL A 2 4.358 8.091 -1.162 1.00 0.00 C ATOM 13 C VAL A 2 3.111 8.961 -1.157 1.00 0.00 C ATOM 14 O VAL A 2 3.012 9.930 -0.403 1.00 0.00 O ATOM 15 CB VAL A 2 4.735 7.631 0.267 1.00 0.00 C ATOM 16 CG1 VAL A 2 3.810 6.517 0.724 1.00 0.00 C ATOM 17 CG2 VAL A 2 6.185 7.168 0.309 1.00 0.00 C ATOM 0 HA VAL A 2 4.182 7.174 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 2 4.621 8.476 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.087 6.204 1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.781 6.876 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.897 5.670 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.435 6.848 1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.321 6.334 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.838 7.990 0.017 1.00 0.00 H new ATOM 27 N LYS A 3 2.203 8.655 -2.074 1.00 0.00 N ATOM 28 CA LYS A 3 1.005 9.440 -2.271 1.00 0.00 C ATOM 29 C LYS A 3 -0.213 8.849 -1.580 1.00 0.00 C ATOM 30 O LYS A 3 -0.541 7.680 -1.757 1.00 0.00 O ATOM 31 CB LYS A 3 0.763 9.528 -3.767 1.00 0.00 C ATOM 32 CG LYS A 3 -0.210 10.605 -4.148 1.00 0.00 C ATOM 33 CD LYS A 3 0.497 11.866 -4.620 1.00 0.00 C ATOM 34 CE LYS A 3 -0.380 13.096 -4.447 1.00 0.00 C ATOM 35 NZ LYS A 3 -0.474 13.891 -5.703 1.00 0.00 N ATOM 0 H LYS A 3 2.282 7.853 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 3 1.154 10.424 -1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.712 9.710 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.391 8.568 -4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.866 10.239 -4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.843 10.842 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.423 11.996 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.772 11.759 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.379 12.789 -4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.024 13.721 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.080 14.721 -5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.476 14.205 -5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.883 13.303 -6.457 1.00 0.00 H new ATOM 49 N ILE A 4 -0.893 9.690 -0.811 1.00 0.00 N ATOM 50 CA ILE A 4 -2.095 9.283 -0.104 1.00 0.00 C ATOM 51 C ILE A 4 -3.326 9.745 -0.869 1.00 0.00 C ATOM 52 O ILE A 4 -3.557 10.945 -1.024 1.00 0.00 O ATOM 53 CB ILE A 4 -2.137 9.859 1.325 1.00 0.00 C ATOM 54 CG1 ILE A 4 -0.811 9.599 2.043 1.00 0.00 C ATOM 55 CG2 ILE A 4 -3.295 9.257 2.106 1.00 0.00 C ATOM 56 CD1 ILE A 4 -0.570 10.518 3.220 1.00 0.00 C ATOM 0 H ILE A 4 -0.628 10.664 -0.662 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.085 8.195 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.289 10.936 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.791 8.566 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.007 9.712 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.311 9.674 3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.233 9.489 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.172 8.175 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.388 10.276 3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.557 11.553 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.367 10.388 3.952 1.00 0.00 H new ATOM 68 N VAL A 5 -4.109 8.793 -1.359 1.00 0.00 N ATOM 69 CA VAL A 5 -5.307 9.118 -2.121 1.00 0.00 C ATOM 70 C VAL A 5 -6.527 9.182 -1.202 1.00 0.00 C ATOM 71 O VAL A 5 -6.848 8.219 -0.506 1.00 0.00 O ATOM 72 CB VAL A 5 -5.521 8.104 -3.270 1.00 0.00 C ATOM 73 CG1 VAL A 5 -5.318 6.679 -2.781 1.00 0.00 C ATOM 74 CG2 VAL A 5 -6.896 8.255 -3.898 1.00 0.00 C ATOM 0 H VAL A 5 -3.937 7.794 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.173 10.102 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.776 8.319 -4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.474 5.985 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.303 6.566 -2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.031 6.462 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.011 7.527 -4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.662 8.085 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.003 9.261 -4.303 1.00 0.00 H new ATOM 84 N THR A 6 -7.175 10.346 -1.180 1.00 0.00 N ATOM 85 CA THR A 6 -8.332 10.571 -0.317 1.00 0.00 C ATOM 86 C THR A 6 -9.662 10.246 -0.993 1.00 0.00 C ATOM 87 O THR A 6 -10.709 10.300 -0.348 1.00 0.00 O ATOM 88 CB THR A 6 -8.376 12.029 0.178 1.00 0.00 C ATOM 89 OG1 THR A 6 -9.607 12.277 0.866 1.00 0.00 O ATOM 90 CG2 THR A 6 -8.237 13.000 -0.985 1.00 0.00 C ATOM 0 H THR A 6 -6.917 11.150 -1.752 1.00 0.00 H new ATOM 0 HA THR A 6 -8.205 9.888 0.523 1.00 0.00 H new ATOM 0 HB THR A 6 -7.541 12.182 0.861 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.274 11.612 0.594 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.271 14.023 -0.611 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.286 12.830 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.054 12.844 -1.689 1.00 0.00 H new ATOM 98 N SER A 7 -9.637 9.909 -2.278 1.00 0.00 N ATOM 99 CA SER A 7 -10.875 9.586 -2.981 1.00 0.00 C ATOM 100 C SER A 7 -11.006 8.082 -3.184 1.00 0.00 C ATOM 101 O SER A 7 -10.008 7.366 -3.262 1.00 0.00 O ATOM 102 CB SER A 7 -10.926 10.302 -4.332 1.00 0.00 C ATOM 103 OG SER A 7 -9.944 11.322 -4.408 1.00 0.00 O ATOM 0 H SER A 7 -8.791 9.853 -2.846 1.00 0.00 H new ATOM 0 HA SER A 7 -11.710 9.927 -2.369 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.769 9.582 -5.135 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.916 10.734 -4.481 1.00 0.00 H new ATOM 0 HG SER A 7 -9.067 10.919 -4.577 1.00 0.00 H new ATOM 109 N GLN A 8 -12.245 7.607 -3.266 1.00 0.00 N ATOM 110 CA GLN A 8 -12.499 6.183 -3.459 1.00 0.00 C ATOM 111 C GLN A 8 -12.154 5.747 -4.885 1.00 0.00 C ATOM 112 O GLN A 8 -11.431 4.773 -5.089 1.00 0.00 O ATOM 113 CB GLN A 8 -13.969 5.870 -3.131 1.00 0.00 C ATOM 114 CG GLN A 8 -14.555 4.691 -3.892 1.00 0.00 C ATOM 115 CD GLN A 8 -14.029 3.356 -3.405 1.00 0.00 C ATOM 116 OE1 GLN A 8 -14.803 2.452 -3.089 1.00 0.00 O ATOM 117 NE2 GLN A 8 -12.709 3.222 -3.337 1.00 0.00 N ATOM 0 H GLN A 8 -13.084 8.183 -3.202 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.857 5.620 -2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.054 5.673 -2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.570 6.755 -3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.641 4.706 -3.795 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.328 4.800 -4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.103 3.996 -3.609 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.301 2.345 -3.013 1.00 0.00 H new ATOM 126 N SER A 9 -12.671 6.476 -5.858 1.00 0.00 N ATOM 127 CA SER A 9 -12.419 6.176 -7.262 1.00 0.00 C ATOM 128 C SER A 9 -10.948 6.379 -7.586 1.00 0.00 C ATOM 129 O SER A 9 -10.360 5.612 -8.346 1.00 0.00 O ATOM 130 CB SER A 9 -13.283 7.060 -8.162 1.00 0.00 C ATOM 131 OG SER A 9 -13.471 8.342 -7.589 1.00 0.00 O ATOM 0 H SER A 9 -13.272 7.285 -5.703 1.00 0.00 H new ATOM 0 HA SER A 9 -12.680 5.134 -7.445 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.811 7.161 -9.139 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.251 6.585 -8.323 1.00 0.00 H new ATOM 0 HG SER A 9 -14.025 8.888 -8.185 1.00 0.00 H new ATOM 137 N GLU A 10 -10.350 7.408 -6.992 1.00 0.00 N ATOM 138 CA GLU A 10 -8.938 7.687 -7.210 1.00 0.00 C ATOM 139 C GLU A 10 -8.110 6.491 -6.764 1.00 0.00 C ATOM 140 O GLU A 10 -7.113 6.137 -7.393 1.00 0.00 O ATOM 141 CB GLU A 10 -8.510 8.940 -6.443 1.00 0.00 C ATOM 142 CG GLU A 10 -8.980 10.235 -7.085 1.00 0.00 C ATOM 143 CD GLU A 10 -8.048 11.397 -6.803 1.00 0.00 C ATOM 144 OE1 GLU A 10 -7.797 11.682 -5.613 1.00 0.00 O ATOM 145 OE2 GLU A 10 -7.568 12.022 -7.772 1.00 0.00 O ATOM 0 H GLU A 10 -10.819 8.057 -6.361 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.774 7.866 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.900 8.885 -5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.423 8.956 -6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.062 10.093 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.978 10.477 -6.718 1.00 0.00 H new ATOM 152 N PHE A 11 -8.554 5.860 -5.682 1.00 0.00 N ATOM 153 CA PHE A 11 -7.883 4.685 -5.148 1.00 0.00 C ATOM 154 C PHE A 11 -8.003 3.533 -6.128 1.00 0.00 C ATOM 155 O PHE A 11 -7.014 2.899 -6.485 1.00 0.00 O ATOM 156 CB PHE A 11 -8.525 4.294 -3.812 1.00 0.00 C ATOM 157 CG PHE A 11 -8.278 2.874 -3.411 1.00 0.00 C ATOM 158 CD1 PHE A 11 -7.002 2.442 -3.101 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.324 1.974 -3.346 1.00 0.00 C ATOM 160 CE1 PHE A 11 -6.775 1.134 -2.732 1.00 0.00 C ATOM 161 CE2 PHE A 11 -9.106 0.666 -2.977 1.00 0.00 C ATOM 162 CZ PHE A 11 -7.831 0.244 -2.669 1.00 0.00 C ATOM 0 H PHE A 11 -9.380 6.146 -5.157 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.828 4.912 -4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.145 4.953 -3.031 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.600 4.461 -3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.176 3.136 -3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.325 2.301 -3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.775 0.805 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.932 -0.028 -2.929 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.657 -0.781 -2.379 1.00 0.00 H new ATOM 172 N ASP A 12 -9.228 3.283 -6.560 1.00 0.00 N ATOM 173 CA ASP A 12 -9.510 2.214 -7.508 1.00 0.00 C ATOM 174 C ASP A 12 -8.888 2.517 -8.862 1.00 0.00 C ATOM 175 O ASP A 12 -8.478 1.612 -9.589 1.00 0.00 O ATOM 176 CB ASP A 12 -11.017 2.054 -7.668 1.00 0.00 C ATOM 177 CG ASP A 12 -11.678 1.484 -6.428 1.00 0.00 C ATOM 178 OD1 ASP A 12 -11.077 0.593 -5.792 1.00 0.00 O ATOM 179 OD2 ASP A 12 -12.797 1.928 -6.095 1.00 0.00 O ATOM 0 H ASP A 12 -10.051 3.810 -6.267 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.079 1.290 -7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.459 3.023 -7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.221 1.401 -8.517 1.00 0.00 H new ATOM 184 N SER A 13 -8.830 3.799 -9.194 1.00 0.00 N ATOM 185 CA SER A 13 -8.268 4.237 -10.461 1.00 0.00 C ATOM 186 C SER A 13 -6.790 3.913 -10.531 1.00 0.00 C ATOM 187 O SER A 13 -6.283 3.497 -11.573 1.00 0.00 O ATOM 188 CB SER A 13 -8.474 5.740 -10.640 1.00 0.00 C ATOM 189 OG SER A 13 -8.137 6.150 -11.954 1.00 0.00 O ATOM 0 H SER A 13 -9.167 4.556 -8.600 1.00 0.00 H new ATOM 0 HA SER A 13 -8.782 3.707 -11.263 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.513 5.995 -10.432 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.862 6.282 -9.919 1.00 0.00 H new ATOM 0 HG SER A 13 -8.279 7.116 -12.042 1.00 0.00 H new ATOM 195 N ILE A 14 -6.100 4.105 -9.417 1.00 0.00 N ATOM 196 CA ILE A 14 -4.675 3.829 -9.365 1.00 0.00 C ATOM 197 C ILE A 14 -4.395 2.348 -9.575 1.00 0.00 C ATOM 198 O ILE A 14 -3.403 1.966 -10.196 1.00 0.00 O ATOM 199 CB ILE A 14 -4.086 4.257 -8.010 1.00 0.00 C ATOM 200 CG1 ILE A 14 -4.130 5.779 -7.871 1.00 0.00 C ATOM 201 CG2 ILE A 14 -2.660 3.744 -7.853 1.00 0.00 C ATOM 202 CD1 ILE A 14 -4.554 6.243 -6.499 1.00 0.00 C ATOM 0 H ILE A 14 -6.501 4.448 -8.544 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.206 4.401 -10.166 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.691 3.818 -7.217 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.144 6.186 -8.095 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.818 6.185 -8.613 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.264 4.059 -6.887 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.657 2.655 -7.909 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.037 4.150 -8.650 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.564 7.333 -6.470 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.553 5.865 -6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.852 5.867 -5.755 1.00 0.00 H new ATOM 214 N ILE A 15 -5.265 1.528 -9.020 1.00 0.00 N ATOM 215 CA ILE A 15 -5.120 0.075 -9.099 1.00 0.00 C ATOM 216 C ILE A 15 -5.168 -0.445 -10.542 1.00 0.00 C ATOM 217 O ILE A 15 -4.413 -1.341 -10.915 1.00 0.00 O ATOM 218 CB ILE A 15 -6.217 -0.637 -8.270 1.00 0.00 C ATOM 219 CG1 ILE A 15 -6.418 0.084 -6.951 1.00 0.00 C ATOM 220 CG2 ILE A 15 -5.831 -2.080 -7.985 1.00 0.00 C ATOM 221 CD1 ILE A 15 -5.148 0.170 -6.152 1.00 0.00 C ATOM 0 H ILE A 15 -6.088 1.839 -8.504 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.137 -0.153 -8.688 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.140 -0.622 -8.850 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.794 1.089 -7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.178 -0.435 -6.367 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.617 -2.559 -7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.701 -2.615 -8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.897 -2.103 -7.423 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.342 0.694 -5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.785 -0.835 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.395 0.713 -6.723 1.00 0.00 H new ATOM 233 N SER A 16 -6.091 0.098 -11.329 1.00 0.00 N ATOM 234 CA SER A 16 -6.297 -0.330 -12.723 1.00 0.00 C ATOM 235 C SER A 16 -5.403 0.376 -13.758 1.00 0.00 C ATOM 236 O SER A 16 -5.198 -0.143 -14.855 1.00 0.00 O ATOM 237 CB SER A 16 -7.766 -0.134 -13.106 1.00 0.00 C ATOM 238 OG SER A 16 -8.376 -1.370 -13.437 1.00 0.00 O ATOM 0 H SER A 16 -6.718 0.844 -11.028 1.00 0.00 H new ATOM 0 HA SER A 16 -6.011 -1.381 -12.752 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.302 0.330 -12.278 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.836 0.548 -13.953 1.00 0.00 H new ATOM 0 HG SER A 16 -9.314 -1.218 -13.676 1.00 0.00 H new ATOM 244 N GLN A 17 -4.931 1.574 -13.441 1.00 0.00 N ATOM 245 CA GLN A 17 -4.127 2.365 -14.389 1.00 0.00 C ATOM 246 C GLN A 17 -2.640 2.006 -14.386 1.00 0.00 C ATOM 247 O GLN A 17 -1.823 2.749 -14.929 1.00 0.00 O ATOM 248 CB GLN A 17 -4.280 3.853 -14.089 1.00 0.00 C ATOM 249 CG GLN A 17 -5.336 4.566 -14.924 1.00 0.00 C ATOM 250 CD GLN A 17 -6.391 3.649 -15.524 1.00 0.00 C ATOM 251 OE1 GLN A 17 -6.121 2.896 -16.460 1.00 0.00 O ATOM 252 NE2 GLN A 17 -7.607 3.723 -14.995 1.00 0.00 N ATOM 0 H GLN A 17 -5.085 2.026 -12.540 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.511 2.125 -15.381 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.528 3.973 -13.034 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.319 4.342 -14.248 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.832 5.311 -14.301 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.840 5.105 -15.731 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.788 4.361 -14.220 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.360 3.142 -15.364 1.00 0.00 H new ATOM 261 N ASN A 18 -2.284 0.890 -13.774 1.00 0.00 N ATOM 262 CA ASN A 18 -0.886 0.480 -13.712 1.00 0.00 C ATOM 263 C ASN A 18 -0.745 -1.038 -13.638 1.00 0.00 C ATOM 264 O ASN A 18 -1.653 -1.736 -13.187 1.00 0.00 O ATOM 265 CB ASN A 18 -0.214 1.131 -12.502 1.00 0.00 C ATOM 266 CG ASN A 18 -0.441 2.630 -12.453 1.00 0.00 C ATOM 267 OD1 ASN A 18 0.406 3.412 -12.882 1.00 0.00 O ATOM 268 ND2 ASN A 18 -1.591 3.037 -11.929 1.00 0.00 N ATOM 0 H ASN A 18 -2.936 0.254 -13.315 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.396 0.811 -14.628 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.599 0.678 -11.588 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.857 0.929 -12.532 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.800 4.034 -11.870 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.265 2.353 -11.585 1.00 0.00 H new ATOM 275 N GLU A 19 0.410 -1.541 -14.074 1.00 0.00 N ATOM 276 CA GLU A 19 0.678 -2.976 -14.046 1.00 0.00 C ATOM 277 C GLU A 19 0.802 -3.454 -12.614 1.00 0.00 C ATOM 278 O GLU A 19 0.149 -4.419 -12.224 1.00 0.00 O ATOM 279 CB GLU A 19 1.949 -3.304 -14.831 1.00 0.00 C ATOM 280 CG GLU A 19 1.751 -4.367 -15.899 1.00 0.00 C ATOM 281 CD GLU A 19 2.555 -4.089 -17.154 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.728 -4.514 -17.214 1.00 0.00 O ATOM 283 OE2 GLU A 19 2.012 -3.446 -18.077 1.00 0.00 O ATOM 0 H GLU A 19 1.172 -0.977 -14.450 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.157 -3.494 -14.518 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.320 -2.393 -15.302 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.718 -3.639 -14.136 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.037 -5.339 -15.497 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.693 -4.427 -16.155 1.00 0.00 H new ATOM 290 N LEU A 20 1.614 -2.768 -11.818 1.00 0.00 N ATOM 291 CA LEU A 20 1.765 -3.138 -10.432 1.00 0.00 C ATOM 292 C LEU A 20 1.518 -1.925 -9.566 1.00 0.00 C ATOM 293 O LEU A 20 2.087 -0.857 -9.794 1.00 0.00 O ATOM 294 CB LEU A 20 3.157 -3.687 -10.168 1.00 0.00 C ATOM 295 CG LEU A 20 3.283 -4.626 -8.964 1.00 0.00 C ATOM 296 CD1 LEU A 20 2.190 -5.683 -8.981 1.00 0.00 C ATOM 297 CD2 LEU A 20 4.653 -5.286 -8.947 1.00 0.00 C ATOM 0 H LEU A 20 2.168 -1.964 -12.112 1.00 0.00 H new ATOM 0 HA LEU A 20 1.042 -3.918 -10.193 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.492 -4.220 -11.058 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.837 -2.848 -10.024 1.00 0.00 H new ATOM 0 HG LEU A 20 3.168 -4.031 -8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.302 -6.336 -8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.214 -5.198 -8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.269 -6.273 -9.894 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.726 -5.950 -8.086 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.791 -5.862 -9.862 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.425 -4.520 -8.881 1.00 0.00 H new ATOM 309 N VAL A 21 0.671 -2.091 -8.571 1.00 0.00 N ATOM 310 CA VAL A 21 0.358 -1.002 -7.672 1.00 0.00 C ATOM 311 C VAL A 21 0.453 -1.463 -6.244 1.00 0.00 C ATOM 312 O VAL A 21 -0.274 -2.363 -5.824 1.00 0.00 O ATOM 313 CB VAL A 21 -1.046 -0.387 -7.918 1.00 0.00 C ATOM 314 CG1 VAL A 21 -1.104 1.025 -7.352 1.00 0.00 C ATOM 315 CG2 VAL A 21 -1.395 -0.379 -9.402 1.00 0.00 C ATOM 0 H VAL A 21 0.189 -2.966 -8.366 1.00 0.00 H new ATOM 0 HA VAL A 21 1.093 -0.222 -7.872 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.782 -1.007 -7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.093 1.448 -7.530 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.909 0.996 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.352 1.644 -7.841 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.384 0.058 -9.541 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.658 0.212 -9.946 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.393 -1.401 -9.782 1.00 0.00 H new ATOM 325 N ILE A 22 1.333 -0.832 -5.483 1.00 0.00 N ATOM 326 CA ILE A 22 1.465 -1.200 -4.089 1.00 0.00 C ATOM 327 C ILE A 22 0.956 -0.066 -3.238 1.00 0.00 C ATOM 328 O ILE A 22 1.381 1.083 -3.365 1.00 0.00 O ATOM 329 CB ILE A 22 2.913 -1.545 -3.700 1.00 0.00 C ATOM 330 CG1 ILE A 22 3.034 -1.698 -2.180 1.00 0.00 C ATOM 331 CG2 ILE A 22 3.875 -0.491 -4.222 1.00 0.00 C ATOM 332 CD1 ILE A 22 2.209 -2.836 -1.620 1.00 0.00 C ATOM 0 H ILE A 22 1.950 -0.083 -5.798 1.00 0.00 H new ATOM 0 HA ILE A 22 0.875 -2.101 -3.922 1.00 0.00 H new ATOM 0 HB ILE A 22 3.179 -2.497 -4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.081 -1.857 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.726 -0.767 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.893 -0.754 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.805 -0.441 -5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.618 0.479 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.343 -2.885 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.156 -2.669 -1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.533 -3.775 -2.069 1.00 0.00 H new ATOM 344 N VAL A 23 0.016 -0.411 -2.386 1.00 0.00 N ATOM 345 CA VAL A 23 -0.609 0.546 -1.510 1.00 0.00 C ATOM 346 C VAL A 23 -0.689 0.000 -0.107 1.00 0.00 C ATOM 347 O VAL A 23 -0.931 -1.190 0.095 1.00 0.00 O ATOM 348 CB VAL A 23 -2.024 0.911 -1.996 1.00 0.00 C ATOM 349 CG1 VAL A 23 -2.926 -0.311 -1.981 1.00 0.00 C ATOM 350 CG2 VAL A 23 -2.615 2.028 -1.149 1.00 0.00 C ATOM 0 H VAL A 23 -0.334 -1.363 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 23 0.005 1.447 -1.518 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.950 1.269 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.921 -0.033 -2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.513 -1.076 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.992 -0.702 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.615 2.269 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.673 1.705 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.981 2.912 -1.219 1.00 0.00 H new ATOM 360 N ASP A 24 -0.494 0.865 0.858 1.00 0.00 N ATOM 361 CA ASP A 24 -0.556 0.453 2.238 1.00 0.00 C ATOM 362 C ASP A 24 -1.822 0.964 2.903 1.00 0.00 C ATOM 363 O ASP A 24 -1.966 2.161 3.146 1.00 0.00 O ATOM 364 CB ASP A 24 0.670 0.957 2.990 1.00 0.00 C ATOM 365 CG ASP A 24 1.937 0.234 2.580 1.00 0.00 C ATOM 366 OD1 ASP A 24 1.870 -0.609 1.659 1.00 0.00 O ATOM 367 OD2 ASP A 24 2.995 0.501 3.185 1.00 0.00 O ATOM 0 H ASP A 24 -0.292 1.854 0.714 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.572 -0.636 2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.790 2.025 2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.513 0.830 4.061 1.00 0.00 H new ATOM 372 N PHE A 25 -2.718 0.044 3.241 1.00 0.00 N ATOM 373 CA PHE A 25 -3.939 0.410 3.933 1.00 0.00 C ATOM 374 C PHE A 25 -3.557 0.479 5.394 1.00 0.00 C ATOM 375 O PHE A 25 -3.117 -0.509 5.982 1.00 0.00 O ATOM 376 CB PHE A 25 -5.030 -0.627 3.652 1.00 0.00 C ATOM 377 CG PHE A 25 -5.264 -0.819 2.175 1.00 0.00 C ATOM 378 CD1 PHE A 25 -6.137 0.008 1.487 1.00 0.00 C ATOM 379 CD2 PHE A 25 -4.591 -1.807 1.471 1.00 0.00 C ATOM 380 CE1 PHE A 25 -6.340 -0.147 0.127 1.00 0.00 C ATOM 381 CE2 PHE A 25 -4.785 -1.964 0.108 1.00 0.00 C ATOM 382 CZ PHE A 25 -5.661 -1.134 -0.568 1.00 0.00 C ATOM 0 H PHE A 25 -2.620 -0.953 3.047 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.351 1.364 3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.748 -1.580 4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.959 -0.313 4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.666 0.784 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.908 -2.462 1.992 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.029 0.502 -0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.251 -2.736 -0.427 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.814 -1.255 -1.630 1.00 0.00 H new ATOM 392 N PHE A 26 -3.611 1.686 5.940 1.00 0.00 N ATOM 393 CA PHE A 26 -3.149 1.926 7.293 1.00 0.00 C ATOM 394 C PHE A 26 -4.192 2.870 8.083 1.00 0.00 C ATOM 395 O PHE A 26 -5.180 3.252 7.453 1.00 0.00 O ATOM 396 CB PHE A 26 -1.785 2.637 7.261 1.00 0.00 C ATOM 397 CG PHE A 26 -1.890 4.048 6.720 1.00 0.00 C ATOM 398 CD1 PHE A 26 -2.306 4.266 5.412 1.00 0.00 C ATOM 399 CD2 PHE A 26 -1.604 5.153 7.516 1.00 0.00 C ATOM 400 CE1 PHE A 26 -2.433 5.548 4.905 1.00 0.00 C ATOM 401 CE2 PHE A 26 -1.730 6.435 7.013 1.00 0.00 C ATOM 402 CZ PHE A 26 -2.144 6.635 5.710 1.00 0.00 C ATOM 0 H PHE A 26 -3.971 2.513 5.463 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.063 0.965 7.799 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.368 2.665 8.268 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.092 2.064 6.645 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.534 3.421 4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.281 5.008 8.536 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.756 5.699 3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.504 7.284 7.641 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.242 7.638 5.321 1.00 0.00 H new ATOM 412 N ALA A 27 -4.016 3.323 9.422 1.00 0.00 N ATOM 413 CA ALA A 27 -4.982 4.209 10.044 1.00 0.00 C ATOM 414 C ALA A 27 -4.178 5.209 10.942 1.00 0.00 C ATOM 415 O ALA A 27 -3.175 4.843 11.553 1.00 0.00 O ATOM 416 CB ALA A 27 -6.068 3.353 10.775 1.00 0.00 C ATOM 0 H ALA A 27 -3.228 3.066 10.017 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.546 4.813 9.333 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.797 4.014 11.244 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.572 2.711 10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.593 2.737 11.538 1.00 0.00 H new ATOM 422 N GLU A 28 -4.577 6.482 10.892 1.00 0.00 N ATOM 423 CA GLU A 28 -3.894 7.668 11.574 1.00 0.00 C ATOM 424 C GLU A 28 -3.564 7.702 13.214 1.00 0.00 C ATOM 425 O GLU A 28 -3.069 8.750 13.626 1.00 0.00 O ATOM 426 CB GLU A 28 -4.867 8.830 11.407 1.00 0.00 C ATOM 427 CG GLU A 28 -4.179 10.159 11.582 1.00 0.00 C ATOM 428 CD GLU A 28 -5.030 11.178 12.316 1.00 0.00 C ATOM 429 OE1 GLU A 28 -6.202 10.869 12.618 1.00 0.00 O ATOM 430 OE2 GLU A 28 -4.523 12.287 12.590 1.00 0.00 O ATOM 0 H GLU A 28 -5.406 6.762 10.369 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.911 7.660 11.104 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.324 8.784 10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.673 8.738 12.135 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.248 10.010 12.129 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.913 10.555 10.602 1.00 0.00 H new ATOM 437 N TRP A 29 -3.889 6.710 14.204 1.00 0.00 N ATOM 438 CA TRP A 29 -3.675 6.919 15.706 1.00 0.00 C ATOM 439 C TRP A 29 -2.566 5.880 16.208 1.00 0.00 C ATOM 440 O TRP A 29 -2.384 5.796 17.423 1.00 0.00 O ATOM 441 CB TRP A 29 -5.195 6.732 16.349 1.00 0.00 C ATOM 442 CG TRP A 29 -6.207 5.621 15.769 1.00 0.00 C ATOM 443 CD1 TRP A 29 -7.426 5.670 14.903 1.00 0.00 C ATOM 444 CD2 TRP A 29 -6.158 4.231 16.173 1.00 0.00 C ATOM 445 NE1 TRP A 29 -7.857 4.384 14.666 1.00 0.00 N ATOM 446 CE2 TRP A 29 -7.129 3.508 15.421 1.00 0.00 C ATOM 447 CE3 TRP A 29 -5.330 3.506 17.052 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -7.271 2.126 15.520 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -5.498 2.136 17.156 1.00 0.00 C ATOM 450 CH2 TRP A 29 -6.446 1.459 16.381 1.00 0.00 C ATOM 0 H TRP A 29 -4.285 5.799 13.971 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.284 7.890 16.009 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.070 6.526 17.412 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.697 7.696 16.268 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.892 6.568 14.525 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.606 4.125 14.024 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.575 4.012 17.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.010 1.598 14.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.885 1.579 17.849 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.527 0.385 16.465 1.00 0.00 H new ATOM 461 N CYS A 30 -1.819 5.020 15.325 1.00 0.00 N ATOM 462 CA CYS A 30 -0.866 4.067 15.880 1.00 0.00 C ATOM 463 C CYS A 30 0.590 4.471 15.641 1.00 0.00 C ATOM 464 O CYS A 30 0.902 5.236 14.729 1.00 0.00 O ATOM 465 CB CYS A 30 -1.120 2.682 15.255 1.00 0.00 C ATOM 466 SG CYS A 30 -1.485 2.679 13.453 1.00 0.00 S ATOM 0 H CYS A 30 -1.898 5.016 14.308 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.018 4.045 16.959 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.244 2.058 15.431 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.955 2.215 15.777 1.00 0.00 H new ATOM 471 N GLY A 31 1.482 3.926 16.465 1.00 0.00 N ATOM 472 CA GLY A 31 2.899 4.200 16.320 1.00 0.00 C ATOM 473 C GLY A 31 3.502 3.576 15.062 1.00 0.00 C ATOM 474 O GLY A 31 4.200 4.255 14.310 1.00 0.00 O ATOM 0 H GLY A 31 1.246 3.297 17.233 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.054 5.279 16.294 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.428 3.823 17.195 1.00 0.00 H new ATOM 478 N PRO A 32 3.249 2.269 14.809 1.00 0.00 N ATOM 479 CA PRO A 32 3.784 1.550 13.633 1.00 0.00 C ATOM 480 C PRO A 32 3.369 2.151 12.303 1.00 0.00 C ATOM 481 O PRO A 32 4.202 2.314 11.410 1.00 0.00 O ATOM 482 CB PRO A 32 3.191 0.146 13.758 1.00 0.00 C ATOM 483 CG PRO A 32 2.034 0.305 14.684 1.00 0.00 C ATOM 484 CD PRO A 32 2.439 1.374 15.651 1.00 0.00 C ATOM 0 HA PRO A 32 4.873 1.588 13.632 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.873 -0.237 12.789 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.922 -0.559 14.155 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.133 0.588 14.141 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.814 -0.629 15.201 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.576 1.886 16.076 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.013 0.971 16.486 1.00 0.00 H new ATOM 492 N CYS A 33 2.082 2.463 12.147 1.00 0.00 N ATOM 493 CA CYS A 33 1.614 3.015 10.879 1.00 0.00 C ATOM 494 C CYS A 33 2.517 4.167 10.426 1.00 0.00 C ATOM 495 O CYS A 33 3.040 4.154 9.311 1.00 0.00 O ATOM 496 CB CYS A 33 0.158 3.487 10.996 1.00 0.00 C ATOM 497 SG CYS A 33 -0.312 4.132 12.639 1.00 0.00 S ATOM 0 H CYS A 33 1.364 2.347 12.862 1.00 0.00 H new ATOM 0 HA CYS A 33 1.659 2.227 10.128 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.017 4.265 10.253 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.500 2.654 10.747 1.00 0.00 H new ATOM 502 N LYS A 34 2.722 5.142 11.301 1.00 0.00 N ATOM 503 CA LYS A 34 3.597 6.275 11.001 1.00 0.00 C ATOM 504 C LYS A 34 5.065 5.842 10.898 1.00 0.00 C ATOM 505 O LYS A 34 5.841 6.404 10.127 1.00 0.00 O ATOM 506 CB LYS A 34 3.449 7.357 12.072 1.00 0.00 C ATOM 507 CG LYS A 34 4.095 8.682 11.693 1.00 0.00 C ATOM 508 CD LYS A 34 5.180 9.082 12.683 1.00 0.00 C ATOM 509 CE LYS A 34 6.571 8.827 12.123 1.00 0.00 C ATOM 510 NZ LYS A 34 7.306 10.096 11.864 1.00 0.00 N ATOM 0 H LYS A 34 2.295 5.174 12.227 1.00 0.00 H new ATOM 0 HA LYS A 34 3.295 6.678 10.034 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.389 7.522 12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.892 6.999 13.002 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.524 8.605 10.694 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.333 9.460 11.654 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.075 10.138 12.931 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.052 8.522 13.610 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.138 8.215 12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.491 8.258 11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.249 9.879 11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.778 10.669 11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.405 10.627 12.753 1.00 0.00 H new ATOM 524 N ARG A 35 5.430 4.861 11.718 1.00 0.00 N ATOM 525 CA ARG A 35 6.802 4.347 11.794 1.00 0.00 C ATOM 526 C ARG A 35 7.215 3.567 10.551 1.00 0.00 C ATOM 527 O ARG A 35 8.402 3.472 10.239 1.00 0.00 O ATOM 528 CB ARG A 35 6.956 3.457 13.027 1.00 0.00 C ATOM 529 CG ARG A 35 8.366 3.439 13.594 1.00 0.00 C ATOM 530 CD ARG A 35 8.570 2.269 14.542 1.00 0.00 C ATOM 531 NE ARG A 35 9.866 2.327 15.214 1.00 0.00 N ATOM 532 CZ ARG A 35 10.306 1.396 16.057 1.00 0.00 C ATOM 533 NH1 ARG A 35 9.558 0.334 16.334 1.00 0.00 N ATOM 534 NH2 ARG A 35 11.497 1.526 16.624 1.00 0.00 N ATOM 0 H ARG A 35 4.782 4.395 12.353 1.00 0.00 H new ATOM 0 HA ARG A 35 7.459 5.214 11.864 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.267 3.799 13.800 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.665 2.439 12.768 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.087 3.378 12.778 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.559 4.373 14.121 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.775 2.264 15.288 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.491 1.335 13.986 1.00 0.00 H new ATOM 0 HE ARG A 35 10.469 3.128 15.026 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.641 0.229 15.900 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.901 -0.376 16.981 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.076 2.339 16.414 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.835 0.813 17.270 1.00 0.00 H new ATOM 548 N ILE A 36 6.246 2.988 9.863 1.00 0.00 N ATOM 549 CA ILE A 36 6.524 2.201 8.677 1.00 0.00 C ATOM 550 C ILE A 36 6.660 3.086 7.439 1.00 0.00 C ATOM 551 O ILE A 36 7.141 2.638 6.400 1.00 0.00 O ATOM 552 CB ILE A 36 5.434 1.131 8.447 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.786 0.230 7.258 1.00 0.00 C ATOM 554 CG2 ILE A 36 4.075 1.772 8.238 1.00 0.00 C ATOM 555 CD1 ILE A 36 7.229 -0.216 7.224 1.00 0.00 C ATOM 0 H ILE A 36 5.258 3.049 10.107 1.00 0.00 H new ATOM 0 HA ILE A 36 7.475 1.696 8.843 1.00 0.00 H new ATOM 0 HB ILE A 36 5.388 0.513 9.343 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.146 -0.652 7.283 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.560 0.762 6.334 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.327 0.995 8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.809 2.356 9.119 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.111 2.425 7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.394 -0.849 6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.879 0.657 7.166 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.457 -0.778 8.129 1.00 0.00 H new ATOM 567 N ALA A 37 6.239 4.346 7.557 1.00 0.00 N ATOM 568 CA ALA A 37 6.320 5.291 6.446 1.00 0.00 C ATOM 569 C ALA A 37 7.772 5.601 6.061 1.00 0.00 C ATOM 570 O ALA A 37 8.125 5.571 4.882 1.00 0.00 O ATOM 571 CB ALA A 37 5.585 6.575 6.798 1.00 0.00 C ATOM 0 H ALA A 37 5.839 4.734 8.411 1.00 0.00 H new ATOM 0 HA ALA A 37 5.845 4.825 5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.651 7.273 5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.538 6.351 7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.038 7.023 7.682 1.00 0.00 H new ATOM 577 N PRO A 38 8.630 5.922 7.051 1.00 0.00 N ATOM 578 CA PRO A 38 10.040 6.260 6.804 1.00 0.00 C ATOM 579 C PRO A 38 10.764 5.211 5.968 1.00 0.00 C ATOM 580 O PRO A 38 11.459 5.551 5.011 1.00 0.00 O ATOM 581 CB PRO A 38 10.641 6.321 8.209 1.00 0.00 C ATOM 582 CG PRO A 38 9.495 6.655 9.098 1.00 0.00 C ATOM 583 CD PRO A 38 8.285 6.011 8.478 1.00 0.00 C ATOM 0 HA PRO A 38 10.136 7.186 6.237 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.093 5.369 8.487 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.424 7.077 8.272 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.662 6.279 10.107 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.365 7.734 9.177 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.092 5.027 8.905 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.388 6.609 8.636 1.00 0.00 H new ATOM 591 N PHE A 39 10.587 3.936 6.305 1.00 0.00 N ATOM 592 CA PHE A 39 11.224 2.874 5.535 1.00 0.00 C ATOM 593 C PHE A 39 10.542 2.757 4.189 1.00 0.00 C ATOM 594 O PHE A 39 11.175 2.477 3.171 1.00 0.00 O ATOM 595 CB PHE A 39 11.161 1.537 6.255 1.00 0.00 C ATOM 596 CG PHE A 39 11.790 0.435 5.453 1.00 0.00 C ATOM 597 CD1 PHE A 39 13.168 0.324 5.368 1.00 0.00 C ATOM 598 CD2 PHE A 39 11.004 -0.472 4.761 1.00 0.00 C ATOM 599 CE1 PHE A 39 13.750 -0.671 4.609 1.00 0.00 C ATOM 600 CE2 PHE A 39 11.581 -1.470 4.006 1.00 0.00 C ATOM 601 CZ PHE A 39 12.954 -1.569 3.928 1.00 0.00 C ATOM 0 H PHE A 39 10.019 3.618 7.090 1.00 0.00 H new ATOM 0 HA PHE A 39 12.275 3.133 5.408 1.00 0.00 H new ATOM 0 HB2 PHE A 39 11.667 1.619 7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.121 1.286 6.462 1.00 0.00 H new ATOM 0 HD1 PHE A 39 13.794 1.024 5.902 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.928 -0.396 4.814 1.00 0.00 H new ATOM 0 HE1 PHE A 39 14.826 -0.747 4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 39 10.958 -2.175 3.475 1.00 0.00 H new ATOM 0 HZ PHE A 39 13.406 -2.349 3.334 1.00 0.00 H new ATOM 611 N TYR A 40 9.242 2.998 4.200 1.00 0.00 N ATOM 612 CA TYR A 40 8.446 2.952 2.988 1.00 0.00 C ATOM 613 C TYR A 40 8.985 3.976 1.996 1.00 0.00 C ATOM 614 O TYR A 40 8.975 3.755 0.785 1.00 0.00 O ATOM 615 CB TYR A 40 6.983 3.265 3.319 1.00 0.00 C ATOM 616 CG TYR A 40 5.962 2.583 2.431 1.00 0.00 C ATOM 617 CD1 TYR A 40 6.274 1.438 1.704 1.00 0.00 C ATOM 618 CD2 TYR A 40 4.668 3.084 2.340 1.00 0.00 C ATOM 619 CE1 TYR A 40 5.329 0.819 0.908 1.00 0.00 C ATOM 620 CE2 TYR A 40 3.718 2.470 1.549 1.00 0.00 C ATOM 621 CZ TYR A 40 4.053 1.339 0.834 1.00 0.00 C ATOM 622 OH TYR A 40 3.111 0.726 0.041 1.00 0.00 O ATOM 0 H TYR A 40 8.714 3.229 5.041 1.00 0.00 H new ATOM 0 HA TYR A 40 8.504 1.956 2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.791 2.978 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.835 4.343 3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.271 1.027 1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.402 3.969 2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.588 -0.067 0.347 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.718 2.873 1.490 1.00 0.00 H new ATOM 0 HH TYR A 40 2.936 -0.177 0.379 1.00 0.00 H new ATOM 632 N GLU A 41 9.465 5.097 2.528 1.00 0.00 N ATOM 633 CA GLU A 41 10.023 6.164 1.698 1.00 0.00 C ATOM 634 C GLU A 41 11.267 5.690 0.959 1.00 0.00 C ATOM 635 O GLU A 41 11.433 5.963 -0.229 1.00 0.00 O ATOM 636 CB GLU A 41 10.362 7.381 2.553 1.00 0.00 C ATOM 637 CG GLU A 41 9.229 7.791 3.468 1.00 0.00 C ATOM 638 CD GLU A 41 9.141 9.292 3.657 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.055 9.866 4.286 1.00 0.00 O ATOM 640 OE2 GLU A 41 8.158 9.895 3.176 1.00 0.00 O ATOM 0 H GLU A 41 9.479 5.291 3.529 1.00 0.00 H new ATOM 0 HA GLU A 41 9.269 6.443 0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 41 11.246 7.163 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.617 8.217 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.287 7.425 3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.362 7.314 4.439 1.00 0.00 H new ATOM 647 N GLU A 42 12.135 4.972 1.659 1.00 0.00 N ATOM 648 CA GLU A 42 13.356 4.458 1.047 1.00 0.00 C ATOM 649 C GLU A 42 12.999 3.511 -0.099 1.00 0.00 C ATOM 650 O GLU A 42 13.582 3.565 -1.181 1.00 0.00 O ATOM 651 CB GLU A 42 14.207 3.725 2.086 1.00 0.00 C ATOM 652 CG GLU A 42 14.504 4.552 3.327 1.00 0.00 C ATOM 653 CD GLU A 42 15.275 3.773 4.375 1.00 0.00 C ATOM 654 OE1 GLU A 42 14.637 3.033 5.153 1.00 0.00 O ATOM 655 OE2 GLU A 42 16.516 3.904 4.418 1.00 0.00 O ATOM 0 H GLU A 42 12.019 4.733 2.644 1.00 0.00 H new ATOM 0 HA GLU A 42 13.933 5.296 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.693 2.811 2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.149 3.426 1.626 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.076 5.435 3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.567 4.904 3.758 1.00 0.00 H new ATOM 662 N CYS A 43 12.024 2.653 0.168 1.00 0.00 N ATOM 663 CA CYS A 43 11.529 1.676 -0.790 1.00 0.00 C ATOM 664 C CYS A 43 10.914 2.343 -2.023 1.00 0.00 C ATOM 665 O CYS A 43 11.000 1.820 -3.131 1.00 0.00 O ATOM 666 CB CYS A 43 10.491 0.813 -0.065 1.00 0.00 C ATOM 667 SG CYS A 43 11.104 0.076 1.461 1.00 0.00 S ATOM 0 H CYS A 43 11.548 2.616 1.070 1.00 0.00 H new ATOM 0 HA CYS A 43 12.356 1.067 -1.155 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.617 1.424 0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.159 0.019 -0.734 1.00 0.00 H new ATOM 0 HG CYS A 43 11.492 1.016 2.271 1.00 0.00 H new ATOM 673 N SER A 44 10.269 3.480 -1.819 1.00 0.00 N ATOM 674 CA SER A 44 9.602 4.198 -2.904 1.00 0.00 C ATOM 675 C SER A 44 10.555 4.861 -3.909 1.00 0.00 C ATOM 676 O SER A 44 10.159 5.125 -5.044 1.00 0.00 O ATOM 677 CB SER A 44 8.679 5.256 -2.311 1.00 0.00 C ATOM 678 OG SER A 44 9.422 6.258 -1.640 1.00 0.00 O ATOM 0 H SER A 44 10.190 3.932 -0.908 1.00 0.00 H new ATOM 0 HA SER A 44 9.046 3.448 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.083 5.709 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.982 4.788 -1.616 1.00 0.00 H new ATOM 0 HG SER A 44 10.353 5.966 -1.545 1.00 0.00 H new ATOM 684 N LYS A 45 11.783 5.172 -3.502 1.00 0.00 N ATOM 685 CA LYS A 45 12.719 5.853 -4.411 1.00 0.00 C ATOM 686 C LYS A 45 13.616 4.897 -5.214 1.00 0.00 C ATOM 687 O LYS A 45 14.129 5.274 -6.267 1.00 0.00 O ATOM 688 CB LYS A 45 13.585 6.876 -3.659 1.00 0.00 C ATOM 689 CG LYS A 45 13.874 6.536 -2.204 1.00 0.00 C ATOM 690 CD LYS A 45 14.980 7.417 -1.644 1.00 0.00 C ATOM 691 CE LYS A 45 15.769 6.704 -0.557 1.00 0.00 C ATOM 692 NZ LYS A 45 15.550 7.319 0.781 1.00 0.00 N ATOM 0 H LYS A 45 12.153 4.972 -2.573 1.00 0.00 H new ATOM 0 HA LYS A 45 12.088 6.371 -5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.533 6.982 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.089 7.846 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.968 6.663 -1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.163 5.488 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.653 7.712 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.547 8.332 -1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.478 5.654 -0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.831 6.733 -0.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.037 6.755 1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.929 8.288 0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.531 7.345 0.988 1.00 0.00 H new ATOM 706 N THR A 46 13.804 3.676 -4.733 1.00 0.00 N ATOM 707 CA THR A 46 14.640 2.697 -5.432 1.00 0.00 C ATOM 708 C THR A 46 13.769 1.723 -6.225 1.00 0.00 C ATOM 709 O THR A 46 14.150 1.223 -7.283 1.00 0.00 O ATOM 710 CB THR A 46 15.519 1.919 -4.424 1.00 0.00 C ATOM 711 OG1 THR A 46 16.716 2.657 -4.151 1.00 0.00 O ATOM 712 CG2 THR A 46 15.884 0.535 -4.942 1.00 0.00 C ATOM 0 H THR A 46 13.392 3.336 -3.864 1.00 0.00 H new ATOM 0 HA THR A 46 15.290 3.233 -6.124 1.00 0.00 H new ATOM 0 HB THR A 46 14.940 1.795 -3.509 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.268 2.160 -3.511 1.00 0.00 H new ATOM 0 HG21 THR A 46 16.501 0.022 -4.205 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.974 -0.040 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 46 16.438 0.630 -5.876 1.00 0.00 H new ATOM 720 N TYR A 47 12.602 1.471 -5.668 1.00 0.00 N ATOM 721 CA TYR A 47 11.603 0.570 -6.221 1.00 0.00 C ATOM 722 C TYR A 47 10.659 1.289 -7.197 1.00 0.00 C ATOM 723 O TYR A 47 9.542 0.829 -7.433 1.00 0.00 O ATOM 724 CB TYR A 47 10.810 -0.100 -5.102 1.00 0.00 C ATOM 725 CG TYR A 47 11.675 -0.687 -4.007 1.00 0.00 C ATOM 726 CD1 TYR A 47 12.962 -1.142 -4.263 1.00 0.00 C ATOM 727 CD2 TYR A 47 11.200 -0.770 -2.713 1.00 0.00 C ATOM 728 CE1 TYR A 47 13.748 -1.667 -3.252 1.00 0.00 C ATOM 729 CE2 TYR A 47 11.978 -1.288 -1.690 1.00 0.00 C ATOM 730 CZ TYR A 47 13.251 -1.736 -1.967 1.00 0.00 C ATOM 731 OH TYR A 47 14.031 -2.254 -0.958 1.00 0.00 O ATOM 0 H TYR A 47 12.310 1.900 -4.790 1.00 0.00 H new ATOM 0 HA TYR A 47 12.132 -0.197 -6.787 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.131 0.631 -4.663 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.194 -0.891 -5.529 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.356 -1.085 -5.267 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.201 -0.424 -2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 47 14.745 -2.021 -3.468 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.590 -1.340 -0.684 1.00 0.00 H new ATOM 0 HH TYR A 47 14.503 -1.526 -0.503 1.00 0.00 H new ATOM 741 N THR A 48 11.060 2.473 -7.663 1.00 0.00 N ATOM 742 CA THR A 48 10.202 3.326 -8.497 1.00 0.00 C ATOM 743 C THR A 48 9.620 2.652 -9.749 1.00 0.00 C ATOM 744 O THR A 48 8.871 3.288 -10.491 1.00 0.00 O ATOM 745 CB THR A 48 10.981 4.573 -8.948 1.00 0.00 C ATOM 746 OG1 THR A 48 10.105 5.484 -9.623 1.00 0.00 O ATOM 747 CG2 THR A 48 12.135 4.196 -9.867 1.00 0.00 C ATOM 0 H THR A 48 11.982 2.868 -7.476 1.00 0.00 H new ATOM 0 HA THR A 48 9.357 3.573 -7.855 1.00 0.00 H new ATOM 0 HB THR A 48 11.390 5.054 -8.059 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.530 4.987 -10.242 1.00 0.00 H new ATOM 0 HG21 THR A 48 12.668 5.097 -10.170 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.818 3.531 -9.339 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.746 3.690 -10.751 1.00 0.00 H new ATOM 755 N LYS A 49 9.888 1.367 -9.957 1.00 0.00 N ATOM 756 CA LYS A 49 9.297 0.650 -11.088 1.00 0.00 C ATOM 757 C LYS A 49 7.866 0.188 -10.725 1.00 0.00 C ATOM 758 O LYS A 49 7.217 -0.538 -11.478 1.00 0.00 O ATOM 759 CB LYS A 49 10.154 -0.562 -11.469 1.00 0.00 C ATOM 760 CG LYS A 49 11.630 -0.428 -11.119 1.00 0.00 C ATOM 761 CD LYS A 49 12.228 0.850 -11.687 1.00 0.00 C ATOM 762 CE LYS A 49 13.229 0.554 -12.792 1.00 0.00 C ATOM 763 NZ LYS A 49 14.040 1.752 -13.145 1.00 0.00 N ATOM 0 H LYS A 49 10.502 0.804 -9.368 1.00 0.00 H new ATOM 0 HA LYS A 49 9.254 1.325 -11.942 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.754 -1.445 -10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.062 -0.733 -12.542 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.749 -0.436 -10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.176 -1.289 -11.506 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.431 1.484 -12.077 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.719 1.409 -10.890 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.891 -0.252 -12.475 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.699 0.201 -13.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.710 1.507 -13.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.411 2.513 -13.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.566 2.074 -12.308 1.00 0.00 H new ATOM 777 N MET A 50 7.415 0.618 -9.543 1.00 0.00 N ATOM 778 CA MET A 50 6.098 0.293 -8.971 1.00 0.00 C ATOM 779 C MET A 50 5.461 1.580 -8.452 1.00 0.00 C ATOM 780 O MET A 50 6.175 2.503 -8.060 1.00 0.00 O ATOM 781 CB MET A 50 6.339 -0.689 -7.814 1.00 0.00 C ATOM 782 CG MET A 50 5.900 -2.121 -8.077 1.00 0.00 C ATOM 783 SD MET A 50 6.105 -2.637 -9.800 1.00 0.00 S ATOM 784 CE MET A 50 7.884 -2.714 -9.956 1.00 0.00 C ATOM 0 H MET A 50 7.971 1.221 -8.936 1.00 0.00 H new ATOM 0 HA MET A 50 5.432 -0.153 -9.710 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.403 -0.690 -7.575 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.815 -0.322 -6.932 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.472 -2.791 -7.435 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.852 -2.228 -7.797 1.00 0.00 H new ATOM 0 HE1 MET A 50 8.172 -2.454 -10.975 1.00 0.00 H new ATOM 0 HE2 MET A 50 8.341 -2.011 -9.259 1.00 0.00 H new ATOM 0 HE3 MET A 50 8.226 -3.724 -9.729 1.00 0.00 H new ATOM 794 N VAL A 51 4.131 1.660 -8.443 1.00 0.00 N ATOM 795 CA VAL A 51 3.479 2.880 -7.952 1.00 0.00 C ATOM 796 C VAL A 51 3.129 2.747 -6.483 1.00 0.00 C ATOM 797 O VAL A 51 2.521 1.764 -6.059 1.00 0.00 O ATOM 798 CB VAL A 51 2.206 3.281 -8.734 1.00 0.00 C ATOM 799 CG1 VAL A 51 2.428 4.587 -9.467 1.00 0.00 C ATOM 800 CG2 VAL A 51 1.771 2.205 -9.701 1.00 0.00 C ATOM 0 H VAL A 51 3.499 0.924 -8.758 1.00 0.00 H new ATOM 0 HA VAL A 51 4.211 3.672 -8.107 1.00 0.00 H new ATOM 0 HB VAL A 51 1.405 3.409 -8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.524 4.856 -10.013 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.665 5.372 -8.749 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.255 4.475 -10.168 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.874 2.530 -10.228 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.568 2.020 -10.422 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.557 1.288 -9.152 1.00 0.00 H new ATOM 810 N PHE A 52 3.547 3.736 -5.704 1.00 0.00 N ATOM 811 CA PHE A 52 3.309 3.723 -4.271 1.00 0.00 C ATOM 812 C PHE A 52 2.228 4.712 -3.847 1.00 0.00 C ATOM 813 O PHE A 52 2.394 5.924 -3.984 1.00 0.00 O ATOM 814 CB PHE A 52 4.600 4.063 -3.515 1.00 0.00 C ATOM 815 CG PHE A 52 5.599 2.945 -3.459 1.00 0.00 C ATOM 816 CD1 PHE A 52 6.119 2.448 -4.626 1.00 0.00 C ATOM 817 CD2 PHE A 52 6.027 2.409 -2.254 1.00 0.00 C ATOM 818 CE1 PHE A 52 7.052 1.430 -4.619 1.00 0.00 C ATOM 819 CE2 PHE A 52 6.965 1.388 -2.231 1.00 0.00 C ATOM 820 CZ PHE A 52 7.479 0.897 -3.420 1.00 0.00 C ATOM 0 H PHE A 52 4.052 4.555 -6.042 1.00 0.00 H new ATOM 0 HA PHE A 52 2.970 2.717 -4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.066 4.927 -3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.344 4.356 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.793 2.861 -5.569 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.627 2.790 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.447 1.052 -5.550 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.294 0.977 -1.288 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.210 0.102 -3.409 1.00 0.00 H new ATOM 830 N ILE A 53 1.142 4.190 -3.290 1.00 0.00 N ATOM 831 CA ILE A 53 0.057 5.039 -2.794 1.00 0.00 C ATOM 832 C ILE A 53 -0.384 4.583 -1.402 1.00 0.00 C ATOM 833 O ILE A 53 -0.155 3.441 -1.013 1.00 0.00 O ATOM 834 CB ILE A 53 -1.160 5.068 -3.746 1.00 0.00 C ATOM 835 CG1 ILE A 53 -1.685 3.659 -4.018 1.00 0.00 C ATOM 836 CG2 ILE A 53 -0.792 5.761 -5.050 1.00 0.00 C ATOM 837 CD1 ILE A 53 -3.173 3.516 -3.784 1.00 0.00 C ATOM 0 H ILE A 53 0.986 3.189 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 53 0.452 6.053 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.956 5.632 -3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.459 3.388 -5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.155 2.952 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.658 5.775 -5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.478 6.784 -4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.024 5.221 -5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.478 2.491 -3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.403 3.756 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.712 4.198 -4.442 1.00 0.00 H new ATOM 849 N LYS A 54 -1.015 5.483 -0.656 1.00 0.00 N ATOM 850 CA LYS A 54 -1.492 5.175 0.697 1.00 0.00 C ATOM 851 C LYS A 54 -2.981 5.465 0.793 1.00 0.00 C ATOM 852 O LYS A 54 -3.443 6.527 0.376 1.00 0.00 O ATOM 853 CB LYS A 54 -0.738 6.006 1.756 1.00 0.00 C ATOM 854 CG LYS A 54 0.506 5.334 2.326 1.00 0.00 C ATOM 855 CD LYS A 54 1.405 6.337 3.035 1.00 0.00 C ATOM 856 CE LYS A 54 1.437 6.099 4.536 1.00 0.00 C ATOM 857 NZ LYS A 54 2.778 6.392 5.114 1.00 0.00 N ATOM 0 H LYS A 54 -1.211 6.436 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.306 4.119 0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.449 6.959 1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.421 6.231 2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.210 4.551 3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.061 4.851 1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.416 6.267 2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.052 7.348 2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.688 6.726 5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.169 5.063 4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.272 5.499 5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.334 6.950 4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.666 6.932 5.996 1.00 0.00 H new ATOM 871 N VAL A 55 -3.734 4.520 1.335 1.00 0.00 N ATOM 872 CA VAL A 55 -5.172 4.693 1.466 1.00 0.00 C ATOM 873 C VAL A 55 -5.640 4.324 2.870 1.00 0.00 C ATOM 874 O VAL A 55 -5.507 3.182 3.309 1.00 0.00 O ATOM 875 CB VAL A 55 -5.916 3.853 0.397 1.00 0.00 C ATOM 876 CG1 VAL A 55 -7.435 3.934 0.541 1.00 0.00 C ATOM 877 CG2 VAL A 55 -5.490 4.282 -1.000 1.00 0.00 C ATOM 0 H VAL A 55 -3.377 3.632 1.689 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.407 5.745 1.302 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.638 2.811 0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.907 3.328 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.728 3.562 1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.756 4.970 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.020 3.684 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.728 5.336 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.416 4.134 -1.115 1.00 0.00 H new ATOM 887 N ASP A 56 -6.181 5.318 3.566 1.00 0.00 N ATOM 888 CA ASP A 56 -6.668 5.145 4.928 1.00 0.00 C ATOM 889 C ASP A 56 -8.066 4.531 4.931 1.00 0.00 C ATOM 890 O ASP A 56 -8.836 4.708 3.988 1.00 0.00 O ATOM 891 CB ASP A 56 -6.646 6.501 5.652 1.00 0.00 C ATOM 892 CG ASP A 56 -7.859 7.356 5.343 1.00 0.00 C ATOM 893 OD1 ASP A 56 -8.210 7.478 4.151 1.00 0.00 O ATOM 894 OD2 ASP A 56 -8.457 7.904 6.293 1.00 0.00 O ATOM 0 H ASP A 56 -6.294 6.264 3.202 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.014 4.455 5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.592 6.332 6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.744 7.044 5.369 1.00 0.00 H new ATOM 899 N VAL A 57 -8.377 3.790 5.990 1.00 0.00 N ATOM 900 CA VAL A 57 -9.669 3.131 6.109 1.00 0.00 C ATOM 901 C VAL A 57 -10.735 4.073 6.674 1.00 0.00 C ATOM 902 O VAL A 57 -11.932 3.818 6.546 1.00 0.00 O ATOM 903 CB VAL A 57 -9.585 1.867 7.006 1.00 0.00 C ATOM 904 CG1 VAL A 57 -8.306 1.083 6.743 1.00 0.00 C ATOM 905 CG2 VAL A 57 -9.681 2.231 8.482 1.00 0.00 C ATOM 0 H VAL A 57 -7.749 3.632 6.778 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.955 2.835 5.100 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.434 1.234 6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.279 0.204 7.387 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.280 0.769 5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.443 1.714 6.953 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.619 1.325 9.085 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.861 2.899 8.746 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.631 2.730 8.673 1.00 0.00 H new ATOM 915 N ASP A 58 -10.289 5.140 7.331 1.00 0.00 N ATOM 916 CA ASP A 58 -11.199 6.099 7.952 1.00 0.00 C ATOM 917 C ASP A 58 -11.871 7.012 6.930 1.00 0.00 C ATOM 918 O ASP A 58 -13.070 7.276 7.014 1.00 0.00 O ATOM 919 CB ASP A 58 -10.455 6.958 8.977 1.00 0.00 C ATOM 920 CG ASP A 58 -9.498 6.156 9.839 1.00 0.00 C ATOM 921 OD1 ASP A 58 -9.972 5.286 10.600 1.00 0.00 O ATOM 922 OD2 ASP A 58 -8.275 6.400 9.754 1.00 0.00 O ATOM 0 H ASP A 58 -9.301 5.363 7.448 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.976 5.515 8.446 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.899 7.737 8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.180 7.459 9.618 1.00 0.00 H new ATOM 927 N GLU A 59 -11.087 7.516 5.987 1.00 0.00 N ATOM 928 CA GLU A 59 -11.599 8.431 4.973 1.00 0.00 C ATOM 929 C GLU A 59 -12.498 7.720 3.970 1.00 0.00 C ATOM 930 O GLU A 59 -13.544 8.245 3.587 1.00 0.00 O ATOM 931 CB GLU A 59 -10.441 9.107 4.238 1.00 0.00 C ATOM 932 CG GLU A 59 -10.813 10.442 3.613 1.00 0.00 C ATOM 933 CD GLU A 59 -9.639 11.397 3.537 1.00 0.00 C ATOM 934 OE1 GLU A 59 -8.590 11.006 2.982 1.00 0.00 O ATOM 935 OE2 GLU A 59 -9.768 12.537 4.031 1.00 0.00 O ATOM 0 H GLU A 59 -10.092 7.307 5.902 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.197 9.184 5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.618 9.259 4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.078 8.439 3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.205 10.273 2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.613 10.901 4.194 1.00 0.00 H new ATOM 942 N VAL A 60 -12.090 6.536 3.533 1.00 0.00 N ATOM 943 CA VAL A 60 -12.873 5.786 2.562 1.00 0.00 C ATOM 944 C VAL A 60 -13.139 4.362 3.035 1.00 0.00 C ATOM 945 O VAL A 60 -12.468 3.420 2.613 1.00 0.00 O ATOM 946 CB VAL A 60 -12.173 5.743 1.190 1.00 0.00 C ATOM 947 CG1 VAL A 60 -12.658 6.885 0.309 1.00 0.00 C ATOM 948 CG2 VAL A 60 -10.658 5.793 1.352 1.00 0.00 C ATOM 0 H VAL A 60 -11.229 6.078 3.833 1.00 0.00 H new ATOM 0 HA VAL A 60 -13.825 6.307 2.461 1.00 0.00 H new ATOM 0 HB VAL A 60 -12.429 4.801 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.153 6.840 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.734 6.798 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.434 7.837 0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.186 5.761 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.377 6.715 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.327 4.938 1.942 1.00 0.00 H new ATOM 958 N SER A 61 -14.134 4.211 3.903 1.00 0.00 N ATOM 959 CA SER A 61 -14.503 2.899 4.423 1.00 0.00 C ATOM 960 C SER A 61 -14.893 1.970 3.280 1.00 0.00 C ATOM 961 O SER A 61 -14.662 0.762 3.337 1.00 0.00 O ATOM 962 CB SER A 61 -15.659 3.027 5.417 1.00 0.00 C ATOM 963 OG SER A 61 -15.193 2.954 6.753 1.00 0.00 O ATOM 0 H SER A 61 -14.699 4.981 4.261 1.00 0.00 H new ATOM 0 HA SER A 61 -13.643 2.476 4.941 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.175 3.974 5.260 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.386 2.235 5.238 1.00 0.00 H new ATOM 0 HG SER A 61 -15.950 3.040 7.369 1.00 0.00 H new ATOM 969 N GLU A 62 -15.480 2.549 2.236 1.00 0.00 N ATOM 970 CA GLU A 62 -15.896 1.784 1.069 1.00 0.00 C ATOM 971 C GLU A 62 -14.701 1.078 0.437 1.00 0.00 C ATOM 972 O GLU A 62 -14.844 0.015 -0.166 1.00 0.00 O ATOM 973 CB GLU A 62 -16.565 2.699 0.042 1.00 0.00 C ATOM 974 CG GLU A 62 -17.926 3.215 0.482 1.00 0.00 C ATOM 975 CD GLU A 62 -18.997 3.009 -0.572 1.00 0.00 C ATOM 976 OE1 GLU A 62 -19.398 1.846 -0.792 1.00 0.00 O ATOM 977 OE2 GLU A 62 -19.435 4.010 -1.177 1.00 0.00 O ATOM 0 H GLU A 62 -15.678 3.548 2.176 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.615 1.032 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.911 3.548 -0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.677 2.157 -0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.223 2.708 1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.850 4.277 0.714 1.00 0.00 H new ATOM 984 N VAL A 63 -13.521 1.671 0.588 1.00 0.00 N ATOM 985 CA VAL A 63 -12.302 1.093 0.037 1.00 0.00 C ATOM 986 C VAL A 63 -11.957 -0.188 0.773 1.00 0.00 C ATOM 987 O VAL A 63 -11.517 -1.169 0.174 1.00 0.00 O ATOM 988 CB VAL A 63 -11.115 2.080 0.127 1.00 0.00 C ATOM 989 CG1 VAL A 63 -9.798 1.387 -0.195 1.00 0.00 C ATOM 990 CG2 VAL A 63 -11.337 3.271 -0.796 1.00 0.00 C ATOM 0 H VAL A 63 -13.384 2.550 1.087 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.483 0.875 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.058 2.445 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.982 2.106 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.631 0.576 0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.838 0.982 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.491 3.954 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.429 2.922 -1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.250 3.790 -0.506 1.00 0.00 H new ATOM 1000 N THR A 64 -12.176 -0.171 2.076 1.00 0.00 N ATOM 1001 CA THR A 64 -11.911 -1.327 2.907 1.00 0.00 C ATOM 1002 C THR A 64 -12.790 -2.498 2.477 1.00 0.00 C ATOM 1003 O THR A 64 -12.322 -3.629 2.345 1.00 0.00 O ATOM 1004 CB THR A 64 -12.172 -0.997 4.389 1.00 0.00 C ATOM 1005 OG1 THR A 64 -11.314 0.071 4.807 1.00 0.00 O ATOM 1006 CG2 THR A 64 -11.942 -2.211 5.279 1.00 0.00 C ATOM 0 H THR A 64 -12.539 0.637 2.582 1.00 0.00 H new ATOM 0 HA THR A 64 -10.864 -1.604 2.787 1.00 0.00 H new ATOM 0 HB THR A 64 -13.215 -0.696 4.486 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.858 0.829 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.135 -1.943 6.318 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.616 -3.014 4.980 1.00 0.00 H new ATOM 0 HG23 THR A 64 -10.910 -2.547 5.177 1.00 0.00 H new ATOM 1014 N GLU A 65 -14.068 -2.209 2.254 1.00 0.00 N ATOM 1015 CA GLU A 65 -15.028 -3.224 1.831 1.00 0.00 C ATOM 1016 C GLU A 65 -14.773 -3.671 0.392 1.00 0.00 C ATOM 1017 O GLU A 65 -14.903 -4.851 0.067 1.00 0.00 O ATOM 1018 CB GLU A 65 -16.455 -2.688 1.963 1.00 0.00 C ATOM 1019 CG GLU A 65 -17.523 -3.698 1.571 1.00 0.00 C ATOM 1020 CD GLU A 65 -18.616 -3.827 2.614 1.00 0.00 C ATOM 1021 OE1 GLU A 65 -19.265 -2.806 2.924 1.00 0.00 O ATOM 1022 OE2 GLU A 65 -18.824 -4.950 3.120 1.00 0.00 O ATOM 0 H GLU A 65 -14.465 -1.275 2.360 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.904 -4.090 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.623 -2.375 2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -16.560 -1.800 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -17.966 -3.402 0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -17.058 -4.671 1.416 1.00 0.00 H new ATOM 1029 N LYS A 66 -14.424 -2.718 -0.469 1.00 0.00 N ATOM 1030 CA LYS A 66 -14.168 -3.011 -1.878 1.00 0.00 C ATOM 1031 C LYS A 66 -13.059 -4.043 -2.043 1.00 0.00 C ATOM 1032 O LYS A 66 -13.134 -4.917 -2.906 1.00 0.00 O ATOM 1033 CB LYS A 66 -13.780 -1.732 -2.624 1.00 0.00 C ATOM 1034 CG LYS A 66 -14.925 -0.749 -2.789 1.00 0.00 C ATOM 1035 CD LYS A 66 -15.641 -0.942 -4.118 1.00 0.00 C ATOM 1036 CE LYS A 66 -15.443 0.250 -5.041 1.00 0.00 C ATOM 1037 NZ LYS A 66 -16.679 1.073 -5.158 1.00 0.00 N ATOM 0 H LYS A 66 -14.312 -1.736 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 66 -15.087 -3.420 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.967 -1.242 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.397 -1.999 -3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.634 -0.875 -1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.543 0.270 -2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.270 -1.844 -4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.706 -1.091 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.629 0.869 -4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.146 -0.101 -6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.503 1.875 -5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.450 0.489 -5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.949 1.430 -4.219 1.00 0.00 H new ATOM 1051 N GLU A 67 -12.024 -3.926 -1.223 1.00 0.00 N ATOM 1052 CA GLU A 67 -10.889 -4.841 -1.294 1.00 0.00 C ATOM 1053 C GLU A 67 -11.016 -5.986 -0.291 1.00 0.00 C ATOM 1054 O GLU A 67 -10.050 -6.708 -0.043 1.00 0.00 O ATOM 1055 CB GLU A 67 -9.586 -4.078 -1.050 1.00 0.00 C ATOM 1056 CG GLU A 67 -9.133 -3.257 -2.245 1.00 0.00 C ATOM 1057 CD GLU A 67 -8.691 -4.119 -3.411 1.00 0.00 C ATOM 1058 OE1 GLU A 67 -9.548 -4.462 -4.253 1.00 0.00 O ATOM 1059 OE2 GLU A 67 -7.490 -4.452 -3.482 1.00 0.00 O ATOM 0 H GLU A 67 -11.945 -3.209 -0.502 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.879 -5.276 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.716 -3.417 -0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.802 -4.788 -0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.948 -2.609 -2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.310 -2.609 -1.945 1.00 0.00 H new ATOM 1066 N ASN A 68 -12.205 -6.156 0.283 1.00 0.00 N ATOM 1067 CA ASN A 68 -12.434 -7.224 1.253 1.00 0.00 C ATOM 1068 C ASN A 68 -11.385 -7.179 2.362 1.00 0.00 C ATOM 1069 O ASN A 68 -10.901 -8.214 2.820 1.00 0.00 O ATOM 1070 CB ASN A 68 -12.405 -8.586 0.559 1.00 0.00 C ATOM 1071 CG ASN A 68 -13.301 -9.602 1.240 1.00 0.00 C ATOM 1072 OD1 ASN A 68 -12.876 -10.306 2.156 1.00 0.00 O ATOM 1073 ND2 ASN A 68 -14.549 -9.682 0.795 1.00 0.00 N ATOM 0 H ASN A 68 -13.020 -5.572 0.095 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.417 -7.076 1.700 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.717 -8.468 -0.479 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.382 -8.961 0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.199 -10.347 1.215 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.858 -9.079 0.033 1.00 0.00 H new ATOM 1080 N ILE A 69 -11.043 -5.969 2.784 1.00 0.00 N ATOM 1081 CA ILE A 69 -10.053 -5.766 3.836 1.00 0.00 C ATOM 1082 C ILE A 69 -10.633 -6.125 5.202 1.00 0.00 C ATOM 1083 O ILE A 69 -11.725 -5.678 5.556 1.00 0.00 O ATOM 1084 CB ILE A 69 -9.567 -4.303 3.850 1.00 0.00 C ATOM 1085 CG1 ILE A 69 -8.990 -3.898 2.485 1.00 0.00 C ATOM 1086 CG2 ILE A 69 -8.540 -4.096 4.947 1.00 0.00 C ATOM 1087 CD1 ILE A 69 -7.555 -4.333 2.276 1.00 0.00 C ATOM 0 H ILE A 69 -11.440 -5.106 2.411 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.207 -6.420 3.628 1.00 0.00 H new ATOM 0 HB ILE A 69 -10.426 -3.664 4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.609 -4.328 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.050 -2.815 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -8.207 -3.058 4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.987 -4.330 5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.686 -4.751 4.774 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.217 -4.012 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.923 -3.882 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.490 -5.419 2.345 1.00 0.00 H new ATOM 1099 N THR A 70 -9.914 -6.955 5.960 1.00 0.00 N ATOM 1100 CA THR A 70 -10.388 -7.384 7.267 1.00 0.00 C ATOM 1101 C THR A 70 -9.580 -6.800 8.431 1.00 0.00 C ATOM 1102 O THR A 70 -10.147 -6.471 9.473 1.00 0.00 O ATOM 1103 CB THR A 70 -10.364 -8.917 7.369 1.00 0.00 C ATOM 1104 OG1 THR A 70 -9.056 -9.410 7.055 1.00 0.00 O ATOM 1105 CG2 THR A 70 -11.384 -9.538 6.427 1.00 0.00 C ATOM 0 H THR A 70 -9.008 -7.338 5.690 1.00 0.00 H new ATOM 0 HA THR A 70 -11.407 -7.007 7.352 1.00 0.00 H new ATOM 0 HB THR A 70 -10.620 -9.194 8.392 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.050 -10.388 7.124 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.349 -10.624 6.517 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.382 -9.185 6.687 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.154 -9.251 5.401 1.00 0.00 H new ATOM 1113 N SER A 71 -8.260 -6.697 8.275 1.00 0.00 N ATOM 1114 CA SER A 71 -7.416 -6.177 9.360 1.00 0.00 C ATOM 1115 C SER A 71 -6.264 -5.295 8.863 1.00 0.00 C ATOM 1116 O SER A 71 -5.694 -5.533 7.800 1.00 0.00 O ATOM 1117 CB SER A 71 -6.850 -7.340 10.177 1.00 0.00 C ATOM 1118 OG SER A 71 -6.173 -8.267 9.345 1.00 0.00 O ATOM 0 H SER A 71 -7.757 -6.960 7.428 1.00 0.00 H new ATOM 0 HA SER A 71 -8.056 -5.547 9.978 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.165 -6.957 10.933 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.659 -7.844 10.706 1.00 0.00 H new ATOM 0 HG SER A 71 -5.819 -9.000 9.892 1.00 0.00 H new ATOM 1124 N MET A 72 -5.927 -4.282 9.671 1.00 0.00 N ATOM 1125 CA MET A 72 -4.838 -3.342 9.373 1.00 0.00 C ATOM 1126 C MET A 72 -3.738 -3.446 10.432 1.00 0.00 C ATOM 1127 O MET A 72 -3.995 -3.886 11.552 1.00 0.00 O ATOM 1128 CB MET A 72 -5.381 -1.899 9.311 1.00 0.00 C ATOM 1129 CG MET A 72 -5.085 -1.044 10.541 1.00 0.00 C ATOM 1130 SD MET A 72 -3.532 -0.137 10.416 1.00 0.00 S ATOM 1131 CE MET A 72 -2.948 -0.237 12.107 1.00 0.00 C ATOM 0 H MET A 72 -6.403 -4.090 10.553 1.00 0.00 H new ATOM 0 HA MET A 72 -4.413 -3.600 8.403 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.960 -1.406 8.435 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.461 -1.939 9.166 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.901 -0.337 10.689 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.055 -1.685 11.422 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.864 -0.122 12.125 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.407 0.556 12.698 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.217 -1.206 12.528 1.00 0.00 H new ATOM 1141 N PRO A 73 -2.503 -3.012 10.113 1.00 0.00 N ATOM 1142 CA PRO A 73 -2.131 -2.474 8.795 1.00 0.00 C ATOM 1143 C PRO A 73 -2.008 -3.554 7.722 1.00 0.00 C ATOM 1144 O PRO A 73 -1.410 -4.604 7.959 1.00 0.00 O ATOM 1145 CB PRO A 73 -0.769 -1.829 9.060 1.00 0.00 C ATOM 1146 CG PRO A 73 -0.189 -2.651 10.153 1.00 0.00 C ATOM 1147 CD PRO A 73 -1.346 -3.050 11.029 1.00 0.00 C ATOM 0 HA PRO A 73 -2.886 -1.789 8.410 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.139 -1.846 8.170 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.873 -0.785 9.357 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.319 -3.529 9.754 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.551 -2.084 10.718 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.203 -4.044 11.454 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.473 -2.361 11.864 1.00 0.00 H new ATOM 1155 N THR A 74 -2.549 -3.289 6.539 1.00 0.00 N ATOM 1156 CA THR A 74 -2.463 -4.241 5.437 1.00 0.00 C ATOM 1157 C THR A 74 -1.761 -3.638 4.218 1.00 0.00 C ATOM 1158 O THR A 74 -2.180 -2.606 3.693 1.00 0.00 O ATOM 1159 CB THR A 74 -3.855 -4.736 5.002 1.00 0.00 C ATOM 1160 OG1 THR A 74 -4.842 -4.315 5.950 1.00 0.00 O ATOM 1161 CG2 THR A 74 -3.870 -6.254 4.868 1.00 0.00 C ATOM 0 H THR A 74 -3.049 -2.428 6.318 1.00 0.00 H new ATOM 0 HA THR A 74 -1.879 -5.081 5.812 1.00 0.00 H new ATOM 0 HB THR A 74 -4.088 -4.304 4.029 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.792 -4.882 6.748 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.863 -6.582 4.560 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.138 -6.561 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.620 -6.706 5.828 1.00 0.00 H new ATOM 1169 N PHE A 75 -0.721 -4.322 3.745 1.00 0.00 N ATOM 1170 CA PHE A 75 0.013 -3.893 2.552 1.00 0.00 C ATOM 1171 C PHE A 75 -0.275 -4.881 1.436 1.00 0.00 C ATOM 1172 O PHE A 75 0.060 -6.061 1.539 1.00 0.00 O ATOM 1173 CB PHE A 75 1.532 -3.826 2.794 1.00 0.00 C ATOM 1174 CG PHE A 75 1.989 -2.747 3.751 1.00 0.00 C ATOM 1175 CD1 PHE A 75 1.084 -1.877 4.344 1.00 0.00 C ATOM 1176 CD2 PHE A 75 3.340 -2.609 4.062 1.00 0.00 C ATOM 1177 CE1 PHE A 75 1.514 -0.900 5.225 1.00 0.00 C ATOM 1178 CE2 PHE A 75 3.769 -1.630 4.940 1.00 0.00 C ATOM 1179 CZ PHE A 75 2.856 -0.779 5.523 1.00 0.00 C ATOM 0 H PHE A 75 -0.365 -5.178 4.170 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.317 -2.888 2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.865 -4.791 3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.029 -3.673 1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.032 -1.964 4.115 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.061 -3.275 3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.798 -0.231 5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.820 -1.533 5.169 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.190 -0.018 6.213 1.00 0.00 H new ATOM 1189 N LYS A 76 -0.914 -4.406 0.379 1.00 0.00 N ATOM 1190 CA LYS A 76 -1.260 -5.271 -0.738 1.00 0.00 C ATOM 1191 C LYS A 76 -0.656 -4.770 -2.037 1.00 0.00 C ATOM 1192 O LYS A 76 -0.619 -3.567 -2.296 1.00 0.00 O ATOM 1193 CB LYS A 76 -2.779 -5.359 -0.900 1.00 0.00 C ATOM 1194 CG LYS A 76 -3.209 -6.313 -1.999 1.00 0.00 C ATOM 1195 CD LYS A 76 -4.410 -7.158 -1.596 1.00 0.00 C ATOM 1196 CE LYS A 76 -5.460 -6.354 -0.836 1.00 0.00 C ATOM 1197 NZ LYS A 76 -6.732 -7.112 -0.681 1.00 0.00 N ATOM 0 H LYS A 76 -1.202 -3.434 0.271 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.854 -6.258 -0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.221 -5.679 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.173 -4.366 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.453 -5.744 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.376 -6.968 -2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.863 -7.589 -2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.074 -7.989 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.073 -6.089 0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.655 -5.421 -1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.420 -6.532 -0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.115 -7.343 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.551 -7.991 -0.155 1.00 0.00 H new ATOM 1211 N VAL A 77 -0.223 -5.704 -2.868 1.00 0.00 N ATOM 1212 CA VAL A 77 0.332 -5.365 -4.160 1.00 0.00 C ATOM 1213 C VAL A 77 -0.681 -5.733 -5.227 1.00 0.00 C ATOM 1214 O VAL A 77 -1.308 -6.790 -5.157 1.00 0.00 O ATOM 1215 CB VAL A 77 1.670 -6.081 -4.421 1.00 0.00 C ATOM 1216 CG1 VAL A 77 2.164 -5.806 -5.833 1.00 0.00 C ATOM 1217 CG2 VAL A 77 2.706 -5.637 -3.405 1.00 0.00 C ATOM 0 H VAL A 77 -0.247 -6.704 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 77 0.539 -4.295 -4.183 1.00 0.00 H new ATOM 0 HB VAL A 77 1.511 -7.155 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.110 -6.322 -5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.428 -6.165 -6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.308 -4.734 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.648 -6.149 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.855 -4.560 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.359 -5.882 -2.401 1.00 0.00 H new ATOM 1227 N TYR A 78 -0.877 -4.850 -6.185 1.00 0.00 N ATOM 1228 CA TYR A 78 -1.856 -5.095 -7.226 1.00 0.00 C ATOM 1229 C TYR A 78 -1.204 -5.290 -8.582 1.00 0.00 C ATOM 1230 O TYR A 78 -0.445 -4.443 -9.044 1.00 0.00 O ATOM 1231 CB TYR A 78 -2.845 -3.938 -7.277 1.00 0.00 C ATOM 1232 CG TYR A 78 -3.562 -3.710 -5.967 1.00 0.00 C ATOM 1233 CD1 TYR A 78 -4.175 -4.763 -5.308 1.00 0.00 C ATOM 1234 CD2 TYR A 78 -3.621 -2.451 -5.386 1.00 0.00 C ATOM 1235 CE1 TYR A 78 -4.826 -4.574 -4.106 1.00 0.00 C ATOM 1236 CE2 TYR A 78 -4.271 -2.253 -4.182 1.00 0.00 C ATOM 1237 CZ TYR A 78 -4.870 -3.321 -3.548 1.00 0.00 C ATOM 1238 OH TYR A 78 -5.519 -3.138 -2.352 1.00 0.00 O ATOM 0 H TYR A 78 -0.377 -3.964 -6.265 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.382 -6.019 -6.984 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.315 -3.028 -7.557 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.581 -4.131 -8.058 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.143 -5.751 -5.743 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.152 -1.614 -5.882 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.298 -5.407 -3.607 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.309 -1.268 -3.741 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.021 -2.496 -1.805 1.00 0.00 H new ATOM 1248 N LYS A 79 -1.526 -6.407 -9.219 1.00 0.00 N ATOM 1249 CA LYS A 79 -0.992 -6.725 -10.531 1.00 0.00 C ATOM 1250 C LYS A 79 -2.126 -6.787 -11.538 1.00 0.00 C ATOM 1251 O LYS A 79 -3.094 -7.528 -11.367 1.00 0.00 O ATOM 1252 CB LYS A 79 -0.239 -8.056 -10.489 1.00 0.00 C ATOM 1253 CG LYS A 79 0.208 -8.545 -11.856 1.00 0.00 C ATOM 1254 CD LYS A 79 1.723 -8.506 -12.003 1.00 0.00 C ATOM 1255 CE LYS A 79 2.163 -7.449 -13.004 1.00 0.00 C ATOM 1256 NZ LYS A 79 2.763 -6.264 -12.331 1.00 0.00 N ATOM 0 H LYS A 79 -2.160 -7.112 -8.843 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.291 -5.946 -10.832 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.635 -7.949 -9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.879 -8.812 -10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.146 -9.564 -12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.248 -7.928 -12.630 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.178 -8.301 -11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.083 -9.484 -12.324 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.888 -7.881 -13.693 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.306 -7.133 -13.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.260 -5.680 -13.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.012 -5.702 -11.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.437 -6.581 -11.606 1.00 0.00 H new ATOM 1270 N ASN A 80 -1.999 -5.981 -12.574 1.00 0.00 N ATOM 1271 CA ASN A 80 -3.011 -5.903 -13.616 1.00 0.00 C ATOM 1272 C ASN A 80 -4.364 -5.496 -13.031 1.00 0.00 C ATOM 1273 O ASN A 80 -5.413 -5.931 -13.506 1.00 0.00 O ATOM 1274 CB ASN A 80 -3.134 -7.244 -14.342 1.00 0.00 C ATOM 1275 CG ASN A 80 -2.301 -7.293 -15.611 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -2.624 -6.636 -16.601 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -1.223 -8.072 -15.594 1.00 0.00 N ATOM 0 H ASN A 80 -1.199 -5.365 -12.719 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.702 -5.141 -14.332 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.821 -8.046 -13.674 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -4.180 -7.426 -14.590 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.630 -8.141 -16.421 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.989 -8.601 -14.754 1.00 0.00 H new ATOM 1284 N GLY A 81 -4.332 -4.633 -12.015 1.00 0.00 N ATOM 1285 CA GLY A 81 -5.558 -4.153 -11.406 1.00 0.00 C ATOM 1286 C GLY A 81 -6.229 -5.146 -10.475 1.00 0.00 C ATOM 1287 O GLY A 81 -7.458 -5.181 -10.400 1.00 0.00 O ATOM 0 H GLY A 81 -3.476 -4.259 -11.605 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.339 -3.242 -10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.259 -3.883 -12.195 1.00 0.00 H new ATOM 1291 N SER A 82 -5.449 -5.944 -9.749 1.00 0.00 N ATOM 1292 CA SER A 82 -6.040 -6.903 -8.823 1.00 0.00 C ATOM 1293 C SER A 82 -5.034 -7.399 -7.790 1.00 0.00 C ATOM 1294 O SER A 82 -3.885 -6.970 -7.772 1.00 0.00 O ATOM 1295 CB SER A 82 -6.643 -8.084 -9.586 1.00 0.00 C ATOM 1296 OG SER A 82 -7.994 -8.295 -9.214 1.00 0.00 O ATOM 0 H SER A 82 -4.430 -5.946 -9.782 1.00 0.00 H new ATOM 0 HA SER A 82 -6.832 -6.384 -8.284 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.583 -7.897 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.063 -8.985 -9.386 1.00 0.00 H new ATOM 0 HG SER A 82 -8.357 -9.054 -9.717 1.00 0.00 H new ATOM 1302 N SER A 83 -5.494 -8.294 -6.917 1.00 0.00 N ATOM 1303 CA SER A 83 -4.659 -8.840 -5.851 1.00 0.00 C ATOM 1304 C SER A 83 -3.578 -9.779 -6.368 1.00 0.00 C ATOM 1305 O SER A 83 -3.834 -10.655 -7.195 1.00 0.00 O ATOM 1306 CB SER A 83 -5.523 -9.563 -4.821 1.00 0.00 C ATOM 1307 OG SER A 83 -6.776 -9.933 -5.371 1.00 0.00 O ATOM 0 H SER A 83 -6.447 -8.658 -6.929 1.00 0.00 H new ATOM 0 HA SER A 83 -4.154 -7.994 -5.385 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.002 -10.452 -4.466 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.679 -8.918 -3.956 1.00 0.00 H new ATOM 0 HG SER A 83 -7.308 -10.396 -4.690 1.00 0.00 H new ATOM 1313 N VAL A 84 -2.366 -9.593 -5.848 1.00 0.00 N ATOM 1314 CA VAL A 84 -1.232 -10.420 -6.222 1.00 0.00 C ATOM 1315 C VAL A 84 -0.572 -11.015 -4.972 1.00 0.00 C ATOM 1316 O VAL A 84 -0.240 -12.200 -4.941 1.00 0.00 O ATOM 1317 CB VAL A 84 -0.212 -9.622 -7.072 1.00 0.00 C ATOM 1318 CG1 VAL A 84 0.713 -8.770 -6.221 1.00 0.00 C ATOM 1319 CG2 VAL A 84 0.586 -10.558 -7.967 1.00 0.00 C ATOM 0 H VAL A 84 -2.149 -8.870 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.595 -11.241 -6.840 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.784 -8.937 -7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.408 -8.232 -6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.124 -8.056 -5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.273 -9.410 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.297 -9.979 -8.556 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.126 -11.278 -7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.092 -11.089 -8.635 1.00 0.00 H new ATOM 1329 N ASP A 85 -0.416 -10.192 -3.934 1.00 0.00 N ATOM 1330 CA ASP A 85 0.164 -10.637 -2.670 1.00 0.00 C ATOM 1331 C ASP A 85 -0.360 -9.783 -1.515 1.00 0.00 C ATOM 1332 O ASP A 85 -1.013 -8.765 -1.739 1.00 0.00 O ATOM 1333 CB ASP A 85 1.689 -10.586 -2.724 1.00 0.00 C ATOM 1334 CG ASP A 85 2.322 -11.853 -2.181 1.00 0.00 C ATOM 1335 OD1 ASP A 85 2.383 -12.002 -0.942 1.00 0.00 O ATOM 1336 OD2 ASP A 85 2.756 -12.696 -2.994 1.00 0.00 O ATOM 0 H ASP A 85 -0.686 -9.208 -3.946 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.135 -11.672 -2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.010 -10.434 -3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.043 -9.730 -2.150 1.00 0.00 H new ATOM 1341 N THR A 86 -0.080 -10.200 -0.281 1.00 0.00 N ATOM 1342 CA THR A 86 -0.540 -9.460 0.890 1.00 0.00 C ATOM 1343 C THR A 86 0.461 -9.537 2.040 1.00 0.00 C ATOM 1344 O THR A 86 1.099 -10.568 2.251 1.00 0.00 O ATOM 1345 CB THR A 86 -1.890 -9.998 1.387 1.00 0.00 C ATOM 1346 OG1 THR A 86 -1.952 -11.417 1.202 1.00 0.00 O ATOM 1347 CG2 THR A 86 -3.043 -9.336 0.654 1.00 0.00 C ATOM 0 H THR A 86 0.459 -11.040 -0.068 1.00 0.00 H new ATOM 0 HA THR A 86 -0.645 -8.422 0.576 1.00 0.00 H new ATOM 0 HB THR A 86 -1.976 -9.766 2.449 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.815 -11.751 1.523 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.987 -9.735 1.025 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.012 -8.260 0.824 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.959 -9.537 -0.414 1.00 0.00 H new ATOM 1355 N LEU A 87 0.587 -8.441 2.786 1.00 0.00 N ATOM 1356 CA LEU A 87 1.501 -8.388 3.917 1.00 0.00 C ATOM 1357 C LEU A 87 0.780 -7.867 5.164 1.00 0.00 C ATOM 1358 O LEU A 87 0.246 -6.758 5.167 1.00 0.00 O ATOM 1359 CB LEU A 87 2.707 -7.516 3.548 1.00 0.00 C ATOM 1360 CG LEU A 87 3.112 -6.438 4.553 1.00 0.00 C ATOM 1361 CD1 LEU A 87 3.559 -7.053 5.864 1.00 0.00 C ATOM 1362 CD2 LEU A 87 4.214 -5.581 3.963 1.00 0.00 C ATOM 0 H LEU A 87 0.066 -7.579 2.625 1.00 0.00 H new ATOM 0 HA LEU A 87 1.860 -9.390 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.564 -8.171 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.496 -7.030 2.595 1.00 0.00 H new ATOM 0 HG LEU A 87 2.244 -5.812 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.841 -6.262 6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.742 -7.636 6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.416 -7.703 5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.501 -4.813 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.078 -6.205 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.857 -5.107 3.049 1.00 0.00 H new ATOM 1374 N LEU A 88 0.761 -8.685 6.215 1.00 0.00 N ATOM 1375 CA LEU A 88 0.096 -8.320 7.467 1.00 0.00 C ATOM 1376 C LEU A 88 1.071 -7.649 8.429 1.00 0.00 C ATOM 1377 O LEU A 88 2.223 -8.065 8.550 1.00 0.00 O ATOM 1378 CB LEU A 88 -0.526 -9.557 8.124 1.00 0.00 C ATOM 1379 CG LEU A 88 -2.051 -9.635 8.039 1.00 0.00 C ATOM 1380 CD1 LEU A 88 -2.560 -10.901 8.709 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -2.682 -8.404 8.672 1.00 0.00 C ATOM 0 H LEU A 88 1.199 -9.606 6.225 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.696 -7.610 7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.105 -10.448 7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.234 -9.578 9.174 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.336 -9.667 6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.647 -10.938 8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.134 -11.772 8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.265 -10.901 9.758 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.767 -8.475 8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.388 -8.343 9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.343 -7.511 8.147 1.00 0.00 H new ATOM 1393 N GLY A 89 0.608 -6.596 9.098 1.00 0.00 N ATOM 1394 CA GLY A 89 1.463 -5.875 10.022 1.00 0.00 C ATOM 1395 C GLY A 89 2.546 -5.125 9.282 1.00 0.00 C ATOM 1396 O GLY A 89 3.219 -5.700 8.426 1.00 0.00 O ATOM 0 H GLY A 89 -0.341 -6.231 9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.865 -5.176 10.606 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.915 -6.574 10.726 1.00 0.00 H new ATOM 1400 N ALA A 90 2.716 -3.840 9.578 1.00 0.00 N ATOM 1401 CA ALA A 90 3.725 -3.061 8.881 1.00 0.00 C ATOM 1402 C ALA A 90 5.100 -3.234 9.507 1.00 0.00 C ATOM 1403 O ALA A 90 5.391 -2.694 10.574 1.00 0.00 O ATOM 1404 CB ALA A 90 3.337 -1.593 8.871 1.00 0.00 C ATOM 0 H ALA A 90 2.180 -3.328 10.279 1.00 0.00 H new ATOM 0 HA ALA A 90 3.778 -3.428 7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.100 -1.018 8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.380 -1.473 8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.252 -1.232 9.896 1.00 0.00 H new ATOM 1410 N ASN A 91 5.954 -3.954 8.795 1.00 0.00 N ATOM 1411 CA ASN A 91 7.327 -4.175 9.212 1.00 0.00 C ATOM 1412 C ASN A 91 8.249 -3.677 8.103 1.00 0.00 C ATOM 1413 O ASN A 91 7.977 -3.910 6.926 1.00 0.00 O ATOM 1414 CB ASN A 91 7.565 -5.654 9.535 1.00 0.00 C ATOM 1415 CG ASN A 91 8.598 -5.849 10.628 1.00 0.00 C ATOM 1416 OD1 ASN A 91 9.546 -5.074 10.748 1.00 0.00 O ATOM 1417 ND2 ASN A 91 8.418 -6.891 11.432 1.00 0.00 N ATOM 0 H ASN A 91 5.712 -4.401 7.911 1.00 0.00 H new ATOM 0 HA ASN A 91 7.539 -3.621 10.127 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.625 -6.112 9.842 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.892 -6.172 8.633 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.081 -7.074 12.186 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.617 -7.508 11.296 1.00 0.00 H new ATOM 1424 N ASP A 92 9.317 -2.974 8.456 1.00 0.00 N ATOM 1425 CA ASP A 92 10.219 -2.445 7.437 1.00 0.00 C ATOM 1426 C ASP A 92 10.908 -3.580 6.675 1.00 0.00 C ATOM 1427 O ASP A 92 11.034 -3.542 5.453 1.00 0.00 O ATOM 1428 CB ASP A 92 11.277 -1.561 8.099 1.00 0.00 C ATOM 1429 CG ASP A 92 10.669 -0.527 9.027 1.00 0.00 C ATOM 1430 OD1 ASP A 92 10.050 0.433 8.523 1.00 0.00 O ATOM 1431 OD2 ASP A 92 10.812 -0.679 10.259 1.00 0.00 O ATOM 0 H ASP A 92 9.578 -2.759 9.418 1.00 0.00 H new ATOM 0 HA ASP A 92 9.633 -1.858 6.730 1.00 0.00 H new ATOM 0 HB2 ASP A 92 11.969 -2.187 8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.859 -1.056 7.328 1.00 0.00 H new ATOM 1436 N SER A 93 11.345 -4.590 7.414 1.00 0.00 N ATOM 1437 CA SER A 93 12.023 -5.751 6.845 1.00 0.00 C ATOM 1438 C SER A 93 11.092 -6.665 6.050 1.00 0.00 C ATOM 1439 O SER A 93 11.489 -7.240 5.036 1.00 0.00 O ATOM 1440 CB SER A 93 12.688 -6.550 7.957 1.00 0.00 C ATOM 1441 OG SER A 93 13.355 -5.698 8.872 1.00 0.00 O ATOM 0 H SER A 93 11.240 -4.629 8.428 1.00 0.00 H new ATOM 0 HA SER A 93 12.766 -5.369 6.145 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.937 -7.138 8.485 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.400 -7.254 7.527 1.00 0.00 H new ATOM 0 HG SER A 93 13.772 -6.237 9.577 1.00 0.00 H new ATOM 1447 N ALA A 94 9.868 -6.830 6.538 1.00 0.00 N ATOM 1448 CA ALA A 94 8.900 -7.716 5.896 1.00 0.00 C ATOM 1449 C ALA A 94 8.472 -7.167 4.563 1.00 0.00 C ATOM 1450 O ALA A 94 8.401 -7.891 3.570 1.00 0.00 O ATOM 1451 CB ALA A 94 7.695 -7.933 6.799 1.00 0.00 C ATOM 0 H ALA A 94 9.521 -6.363 7.376 1.00 0.00 H new ATOM 0 HA ALA A 94 9.381 -8.679 5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.984 -8.595 6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.020 -8.384 7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.216 -6.975 7.004 1.00 0.00 H new ATOM 1457 N LEU A 95 8.215 -5.880 4.538 1.00 0.00 N ATOM 1458 CA LEU A 95 7.827 -5.232 3.321 1.00 0.00 C ATOM 1459 C LEU A 95 9.027 -5.159 2.395 1.00 0.00 C ATOM 1460 O LEU A 95 8.885 -5.199 1.173 1.00 0.00 O ATOM 1461 CB LEU A 95 7.305 -3.838 3.616 1.00 0.00 C ATOM 1462 CG LEU A 95 7.497 -2.846 2.478 1.00 0.00 C ATOM 1463 CD1 LEU A 95 6.214 -2.721 1.689 1.00 0.00 C ATOM 1464 CD2 LEU A 95 8.001 -1.513 3.004 1.00 0.00 C ATOM 0 H LEU A 95 8.270 -5.266 5.351 1.00 0.00 H new ATOM 0 HA LEU A 95 7.032 -5.802 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.243 -3.902 3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.806 -3.455 4.505 1.00 0.00 H new ATOM 0 HG LEU A 95 8.264 -3.214 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.355 -2.010 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.943 -3.694 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.417 -2.369 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.131 -0.820 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.278 -1.103 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.956 -1.658 3.508 1.00 0.00 H new ATOM 1476 N LYS A 96 10.217 -5.062 2.983 1.00 0.00 N ATOM 1477 CA LYS A 96 11.428 -4.995 2.192 1.00 0.00 C ATOM 1478 C LYS A 96 11.465 -6.197 1.273 1.00 0.00 C ATOM 1479 O LYS A 96 11.725 -6.075 0.082 1.00 0.00 O ATOM 1480 CB LYS A 96 12.665 -4.983 3.094 1.00 0.00 C ATOM 1481 CG LYS A 96 13.979 -4.937 2.328 1.00 0.00 C ATOM 1482 CD LYS A 96 14.052 -3.727 1.407 1.00 0.00 C ATOM 1483 CE LYS A 96 15.247 -2.844 1.733 1.00 0.00 C ATOM 1484 NZ LYS A 96 16.343 -3.003 0.738 1.00 0.00 N ATOM 0 H LYS A 96 10.361 -5.029 3.992 1.00 0.00 H new ATOM 0 HA LYS A 96 11.432 -4.075 1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.611 -4.120 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.653 -5.872 3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.810 -4.909 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.090 -5.849 1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.118 -4.061 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.134 -3.145 1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.931 -1.801 1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.620 -3.091 2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.110 -2.336 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.709 -3.976 0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.977 -2.808 -0.216 1.00 0.00 H new ATOM 1498 N GLN A 97 11.167 -7.354 1.844 1.00 0.00 N ATOM 1499 CA GLN A 97 11.131 -8.593 1.089 1.00 0.00 C ATOM 1500 C GLN A 97 9.920 -8.641 0.155 1.00 0.00 C ATOM 1501 O GLN A 97 10.013 -9.166 -0.954 1.00 0.00 O ATOM 1502 CB GLN A 97 11.106 -9.792 2.040 1.00 0.00 C ATOM 1503 CG GLN A 97 12.488 -10.326 2.380 1.00 0.00 C ATOM 1504 CD GLN A 97 13.416 -9.249 2.907 1.00 0.00 C ATOM 1505 OE1 GLN A 97 13.816 -8.345 2.174 1.00 0.00 O ATOM 1506 NE2 GLN A 97 13.765 -9.342 4.185 1.00 0.00 N ATOM 0 H GLN A 97 10.946 -7.459 2.834 1.00 0.00 H new ATOM 0 HA GLN A 97 12.032 -8.638 0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 97 10.600 -9.504 2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.517 -10.591 1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 97 12.395 -11.116 3.125 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.928 -10.776 1.490 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.409 -10.109 4.756 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.389 -8.647 4.595 1.00 0.00 H new ATOM 1515 N LEU A 98 8.777 -8.103 0.601 1.00 0.00 N ATOM 1516 CA LEU A 98 7.575 -8.114 -0.218 1.00 0.00 C ATOM 1517 C LEU A 98 7.721 -7.213 -1.443 1.00 0.00 C ATOM 1518 O LEU A 98 7.445 -7.617 -2.573 1.00 0.00 O ATOM 1519 CB LEU A 98 6.394 -7.653 0.623 1.00 0.00 C ATOM 1520 CG LEU A 98 5.136 -7.345 -0.171 1.00 0.00 C ATOM 1521 CD1 LEU A 98 4.656 -8.582 -0.907 1.00 0.00 C ATOM 1522 CD2 LEU A 98 4.056 -6.814 0.744 1.00 0.00 C ATOM 0 H LEU A 98 8.667 -7.662 1.514 1.00 0.00 H new ATOM 0 HA LEU A 98 7.410 -9.131 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.165 -8.425 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.686 -6.761 1.178 1.00 0.00 H new ATOM 0 HG LEU A 98 5.369 -6.578 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.754 -8.343 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.433 -8.922 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.436 -9.371 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.160 -6.597 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.824 -7.560 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.405 -5.901 1.227 1.00 0.00 H new ATOM 1534 N ILE A 99 8.156 -5.991 -1.189 1.00 0.00 N ATOM 1535 CA ILE A 99 8.358 -4.987 -2.208 1.00 0.00 C ATOM 1536 C ILE A 99 9.550 -5.324 -3.101 1.00 0.00 C ATOM 1537 O ILE A 99 9.551 -5.031 -4.295 1.00 0.00 O ATOM 1538 CB ILE A 99 8.459 -3.598 -1.523 1.00 0.00 C ATOM 1539 CG1 ILE A 99 7.751 -2.553 -2.364 1.00 0.00 C ATOM 1540 CG2 ILE A 99 9.888 -3.171 -1.228 1.00 0.00 C ATOM 1541 CD1 ILE A 99 8.457 -2.287 -3.662 1.00 0.00 C ATOM 0 H ILE A 99 8.382 -5.667 -0.249 1.00 0.00 H new ATOM 0 HA ILE A 99 7.505 -4.962 -2.887 1.00 0.00 H new ATOM 0 HB ILE A 99 7.966 -3.688 -0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.733 -2.884 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.676 -1.625 -1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.884 -2.192 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.355 -3.898 -0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.451 -3.117 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.909 -1.532 -4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.466 -1.928 -3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.508 -3.208 -4.243 1.00 0.00 H new ATOM 1553 N GLU A 100 10.558 -5.946 -2.515 1.00 0.00 N ATOM 1554 CA GLU A 100 11.760 -6.326 -3.243 1.00 0.00 C ATOM 1555 C GLU A 100 11.512 -7.380 -4.323 1.00 0.00 C ATOM 1556 O GLU A 100 12.195 -7.398 -5.344 1.00 0.00 O ATOM 1557 CB GLU A 100 12.814 -6.838 -2.268 1.00 0.00 C ATOM 1558 CG GLU A 100 13.793 -5.767 -1.821 1.00 0.00 C ATOM 1559 CD GLU A 100 15.180 -6.318 -1.556 1.00 0.00 C ATOM 1560 OE1 GLU A 100 15.927 -6.541 -2.532 1.00 0.00 O ATOM 1561 OE2 GLU A 100 15.520 -6.526 -0.372 1.00 0.00 O ATOM 0 H GLU A 100 10.569 -6.201 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 100 12.109 -5.428 -3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.316 -7.253 -1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.367 -7.652 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.854 -4.993 -2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.416 -5.291 -0.916 1.00 0.00 H new ATOM 1568 N LYS A 101 10.586 -8.289 -4.073 1.00 0.00 N ATOM 1569 CA LYS A 101 10.317 -9.379 -5.003 1.00 0.00 C ATOM 1570 C LYS A 101 9.712 -8.922 -6.323 1.00 0.00 C ATOM 1571 O LYS A 101 10.105 -9.394 -7.389 1.00 0.00 O ATOM 1572 CB LYS A 101 9.360 -10.360 -4.346 1.00 0.00 C ATOM 1573 CG LYS A 101 9.992 -11.697 -3.998 1.00 0.00 C ATOM 1574 CD LYS A 101 9.022 -12.594 -3.246 1.00 0.00 C ATOM 1575 CE LYS A 101 9.257 -12.535 -1.745 1.00 0.00 C ATOM 1576 NZ LYS A 101 10.020 -13.716 -1.255 1.00 0.00 N ATOM 0 H LYS A 101 10.006 -8.297 -3.234 1.00 0.00 H new ATOM 0 HA LYS A 101 11.278 -9.838 -5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.961 -9.910 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.516 -10.531 -5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.317 -12.196 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.882 -11.533 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.999 -12.291 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.132 -13.622 -3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.801 -11.623 -1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.298 -12.483 -1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.159 -13.637 -0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.489 -14.585 -1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.946 -13.752 -1.728 1.00 0.00 H new ATOM 1590 N TYR A 102 8.741 -8.030 -6.252 1.00 0.00 N ATOM 1591 CA TYR A 102 8.074 -7.551 -7.453 1.00 0.00 C ATOM 1592 C TYR A 102 8.621 -6.221 -7.894 1.00 0.00 C ATOM 1593 O TYR A 102 8.419 -5.797 -9.032 1.00 0.00 O ATOM 1594 CB TYR A 102 6.574 -7.408 -7.220 1.00 0.00 C ATOM 1595 CG TYR A 102 6.053 -8.271 -6.108 1.00 0.00 C ATOM 1596 CD1 TYR A 102 6.468 -9.585 -5.986 1.00 0.00 C ATOM 1597 CD2 TYR A 102 5.139 -7.778 -5.195 1.00 0.00 C ATOM 1598 CE1 TYR A 102 5.991 -10.391 -4.983 1.00 0.00 C ATOM 1599 CE2 TYR A 102 4.646 -8.579 -4.183 1.00 0.00 C ATOM 1600 CZ TYR A 102 5.078 -9.890 -4.082 1.00 0.00 C ATOM 1601 OH TYR A 102 4.598 -10.702 -3.081 1.00 0.00 O ATOM 0 H TYR A 102 8.397 -7.623 -5.382 1.00 0.00 H new ATOM 0 HA TYR A 102 8.258 -8.290 -8.233 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.347 -6.366 -6.996 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.046 -7.658 -8.140 1.00 0.00 H new ATOM 0 HD1 TYR A 102 7.180 -9.984 -6.693 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.806 -6.754 -5.274 1.00 0.00 H new ATOM 0 HE1 TYR A 102 6.330 -11.413 -4.901 1.00 0.00 H new ATOM 0 HE2 TYR A 102 3.930 -8.186 -3.477 1.00 0.00 H new ATOM 0 HH TYR A 102 4.453 -11.605 -3.433 1.00 0.00 H new ATOM 1611 N ALA A 103 9.282 -5.549 -6.979 1.00 0.00 N ATOM 1612 CA ALA A 103 9.818 -4.241 -7.272 1.00 0.00 C ATOM 1613 C ALA A 103 11.333 -4.261 -7.320 1.00 0.00 C ATOM 1614 O ALA A 103 11.944 -3.569 -8.134 1.00 0.00 O ATOM 1615 CB ALA A 103 9.302 -3.253 -6.251 1.00 0.00 C ATOM 0 H ALA A 103 9.460 -5.884 -6.032 1.00 0.00 H new ATOM 0 HA ALA A 103 9.483 -3.931 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.704 -2.263 -6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.213 -3.220 -6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.616 -3.562 -5.254 1.00 0.00 H new ATOM 1621 N ALA A 104 11.940 -5.066 -6.461 1.00 0.00 N ATOM 1622 CA ALA A 104 13.398 -5.164 -6.449 1.00 0.00 C ATOM 1623 C ALA A 104 13.874 -6.430 -7.153 1.00 0.00 C ATOM 1624 CB ALA A 104 13.951 -5.106 -5.035 1.00 0.00 C ATOM 0 H ALA A 104 11.462 -5.651 -5.776 1.00 0.00 H new ATOM 0 HA ALA A 104 13.780 -4.302 -6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.038 -5.182 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.666 -4.162 -4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.546 -5.933 -4.452 1.00 0.00 H new