USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 617 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 73 HIS :FLIP no HD1:sc= -0.737 F(o=-7.5,f=-6.4) USER MOD Set 1.2: A 74 ASN : amide:sc= -5.7! C(o=-6.4!,f=-8.5!) USER MOD Set 2.1: A 21 MET CE :methyl -150:sc= -10.7! (180deg=-11.9!) USER MOD Set 2.2: A 47 MET CE :methyl 140:sc= -3.33 (180deg=-6.64!) USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0194 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 23:sc= 0.353 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -140:sc= -0.239 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0516 USER MOD Single : A 14 LYS NZ :NH3+ 169:sc=-0.000588 (180deg=-0.106) USER MOD Single : A 15 GLN : amide:sc= -0.0455 K(o=-0.046,f=-1.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= -0.0459 (180deg=-0.354) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.687 F(o=-1.3,f=-0.69) USER MOD Single : A 29 THR OG1 : rot -24:sc= 0.233 USER MOD Single : A 31 MET CE :methyl 180:sc= -0.807 (180deg=-0.807) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -4.84! C(o=-4.8!,f=-7.2!) USER MOD Single : A 46 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.053) USER MOD Single : A 48 ASN : amide:sc= -1.19 K(o=-1.2,f=-5.1!) USER MOD Single : A 51 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.1) USER MOD Single : A 53 MET CE :methyl 164:sc= -0.0846 (180deg=-0.577) USER MOD Single : A 54 SER OG : rot 91:sc= 1.25 USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.013) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.099 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.145 17.853 21.068 1.00 0.00 N ATOM 2 CA GLY A 1 -3.310 17.559 19.919 1.00 0.00 C ATOM 3 C GLY A 1 -2.272 16.494 20.213 1.00 0.00 C ATOM 4 O GLY A 1 -2.518 15.578 20.998 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.119 18.035 20.752 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.138 17.042 21.719 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.777 18.693 21.558 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.939 17.230 19.092 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.808 18.471 19.595 1.00 0.00 H new ATOM 8 N SER A 2 -1.109 16.612 19.581 1.00 0.00 N ATOM 9 CA SER A 2 -0.032 15.648 19.775 1.00 0.00 C ATOM 10 C SER A 2 1.265 16.148 19.146 1.00 0.00 C ATOM 11 O SER A 2 1.268 17.124 18.396 1.00 0.00 O ATOM 12 CB SER A 2 -0.415 14.295 19.172 1.00 0.00 C ATOM 13 OG SER A 2 -0.525 14.378 17.762 1.00 0.00 O ATOM 0 H SER A 2 -0.888 17.366 18.930 1.00 0.00 H new ATOM 0 HA SER A 2 0.126 15.529 20.847 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.334 13.550 19.438 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.362 13.960 19.595 1.00 0.00 H new ATOM 0 HG SER A 2 -0.769 13.500 17.401 1.00 0.00 H new ATOM 19 N SER A 3 2.366 15.472 19.458 1.00 0.00 N ATOM 20 CA SER A 3 3.671 15.849 18.928 1.00 0.00 C ATOM 21 C SER A 3 3.745 15.583 17.428 1.00 0.00 C ATOM 22 O SER A 3 3.542 14.457 16.975 1.00 0.00 O ATOM 23 CB SER A 3 4.780 15.081 19.650 1.00 0.00 C ATOM 24 OG SER A 3 4.657 13.686 19.434 1.00 0.00 O ATOM 0 H SER A 3 2.380 14.660 20.075 1.00 0.00 H new ATOM 0 HA SER A 3 3.810 16.917 19.097 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.753 15.423 19.297 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.737 15.292 20.718 1.00 0.00 H new ATOM 0 HG SER A 3 4.151 13.526 18.610 1.00 0.00 H new ATOM 30 N GLY A 4 4.038 16.628 16.661 1.00 0.00 N ATOM 31 CA GLY A 4 4.134 16.487 15.219 1.00 0.00 C ATOM 32 C GLY A 4 5.448 15.870 14.784 1.00 0.00 C ATOM 33 O GLY A 4 6.434 15.907 15.521 1.00 0.00 O ATOM 0 H GLY A 4 4.211 17.570 17.012 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.310 15.869 14.862 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.024 17.466 14.753 1.00 0.00 H new ATOM 37 N SER A 5 5.463 15.300 13.583 1.00 0.00 N ATOM 38 CA SER A 5 6.665 14.666 13.053 1.00 0.00 C ATOM 39 C SER A 5 7.456 15.642 12.187 1.00 0.00 C ATOM 40 O SER A 5 7.162 15.819 11.005 1.00 0.00 O ATOM 41 CB SER A 5 6.295 13.426 12.236 1.00 0.00 C ATOM 42 OG SER A 5 7.447 12.829 11.667 1.00 0.00 O ATOM 0 H SER A 5 4.657 15.264 12.959 1.00 0.00 H new ATOM 0 HA SER A 5 7.289 14.365 13.894 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.785 12.705 12.875 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.597 13.702 11.446 1.00 0.00 H new ATOM 0 HG SER A 5 7.185 12.038 11.151 1.00 0.00 H new ATOM 48 N SER A 6 8.461 16.273 12.785 1.00 0.00 N ATOM 49 CA SER A 6 9.294 17.234 12.072 1.00 0.00 C ATOM 50 C SER A 6 10.111 16.543 10.984 1.00 0.00 C ATOM 51 O SER A 6 10.133 15.316 10.893 1.00 0.00 O ATOM 52 CB SER A 6 10.227 17.955 13.046 1.00 0.00 C ATOM 53 OG SER A 6 11.205 17.071 13.565 1.00 0.00 O ATOM 0 H SER A 6 8.718 16.136 13.762 1.00 0.00 H new ATOM 0 HA SER A 6 8.638 17.966 11.600 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.716 18.786 12.538 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.646 18.380 13.864 1.00 0.00 H new ATOM 0 HG SER A 6 11.790 17.557 14.183 1.00 0.00 H new ATOM 59 N GLY A 7 10.783 17.341 10.160 1.00 0.00 N ATOM 60 CA GLY A 7 11.593 16.789 9.090 1.00 0.00 C ATOM 61 C GLY A 7 12.326 17.860 8.307 1.00 0.00 C ATOM 62 O GLY A 7 13.428 18.264 8.676 1.00 0.00 O ATOM 0 H GLY A 7 10.781 18.360 10.214 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.317 16.090 9.510 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.956 16.220 8.413 1.00 0.00 H new ATOM 66 N GLY A 8 11.714 18.321 7.220 1.00 0.00 N ATOM 67 CA GLY A 8 12.332 19.346 6.399 1.00 0.00 C ATOM 68 C GLY A 8 13.328 18.774 5.409 1.00 0.00 C ATOM 69 O GLY A 8 13.065 18.735 4.208 1.00 0.00 O ATOM 0 H GLY A 8 10.802 18.003 6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.558 19.889 5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.837 20.067 7.042 1.00 0.00 H new ATOM 73 N MET A 9 14.474 18.331 5.915 1.00 0.00 N ATOM 74 CA MET A 9 15.513 17.760 5.065 1.00 0.00 C ATOM 75 C MET A 9 15.811 16.318 5.467 1.00 0.00 C ATOM 76 O MET A 9 16.247 16.053 6.588 1.00 0.00 O ATOM 77 CB MET A 9 16.789 18.599 5.149 1.00 0.00 C ATOM 78 CG MET A 9 16.615 20.021 4.642 1.00 0.00 C ATOM 79 SD MET A 9 16.721 20.136 2.845 1.00 0.00 S ATOM 80 CE MET A 9 18.104 21.259 2.659 1.00 0.00 C ATOM 0 H MET A 9 14.707 18.356 6.908 1.00 0.00 H new ATOM 0 HA MET A 9 15.151 17.765 4.037 1.00 0.00 H new ATOM 0 HB2 MET A 9 17.126 18.630 6.185 1.00 0.00 H new ATOM 0 HB3 MET A 9 17.574 18.110 4.573 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.649 20.404 4.970 1.00 0.00 H new ATOM 0 HG3 MET A 9 17.379 20.658 5.089 1.00 0.00 H new ATOM 0 HE1 MET A 9 18.294 21.430 1.599 1.00 0.00 H new ATOM 0 HE2 MET A 9 17.871 22.207 3.143 1.00 0.00 H new ATOM 0 HE3 MET A 9 18.990 20.824 3.121 1.00 0.00 H new ATOM 90 N LYS A 10 15.573 15.391 4.546 1.00 0.00 N ATOM 91 CA LYS A 10 15.817 13.977 4.803 1.00 0.00 C ATOM 92 C LYS A 10 17.303 13.650 4.686 1.00 0.00 C ATOM 93 O LYS A 10 17.929 13.204 5.648 1.00 0.00 O ATOM 94 CB LYS A 10 15.017 13.114 3.825 1.00 0.00 C ATOM 95 CG LYS A 10 13.513 13.216 4.015 1.00 0.00 C ATOM 96 CD LYS A 10 12.761 12.648 2.823 1.00 0.00 C ATOM 97 CE LYS A 10 11.259 12.837 2.969 1.00 0.00 C ATOM 98 NZ LYS A 10 10.848 14.243 2.701 1.00 0.00 N ATOM 0 H LYS A 10 15.211 15.594 3.614 1.00 0.00 H new ATOM 0 HA LYS A 10 15.494 13.758 5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 10 15.267 13.408 2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.320 12.073 3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.222 12.680 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.233 14.260 4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.103 13.136 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 10 12.987 11.587 2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.740 12.170 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.954 12.555 3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.818 14.330 2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.323 14.878 3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.116 14.504 1.731 1.00 0.00 H new ATOM 112 N THR A 11 17.863 13.877 3.502 1.00 0.00 N ATOM 113 CA THR A 11 19.274 13.608 3.259 1.00 0.00 C ATOM 114 C THR A 11 19.799 14.434 2.091 1.00 0.00 C ATOM 115 O THR A 11 19.283 14.348 0.976 1.00 0.00 O ATOM 116 CB THR A 11 19.520 12.115 2.969 1.00 0.00 C ATOM 117 OG1 THR A 11 20.923 11.868 2.828 1.00 0.00 O ATOM 118 CG2 THR A 11 18.793 11.683 1.704 1.00 0.00 C ATOM 0 H THR A 11 17.360 14.247 2.696 1.00 0.00 H new ATOM 0 HA THR A 11 19.809 13.887 4.167 1.00 0.00 H new ATOM 0 HB THR A 11 19.133 11.536 3.807 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.071 11.231 2.098 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.981 10.625 1.519 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.722 11.845 1.827 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.154 12.269 0.859 1.00 0.00 H new ATOM 126 N SER A 12 20.827 15.235 2.352 1.00 0.00 N ATOM 127 CA SER A 12 21.420 16.079 1.322 1.00 0.00 C ATOM 128 C SER A 12 22.021 15.232 0.204 1.00 0.00 C ATOM 129 O SER A 12 21.606 15.322 -0.950 1.00 0.00 O ATOM 130 CB SER A 12 22.496 16.982 1.929 1.00 0.00 C ATOM 131 OG SER A 12 23.435 16.225 2.674 1.00 0.00 O ATOM 0 H SER A 12 21.267 15.317 3.269 1.00 0.00 H new ATOM 0 HA SER A 12 20.631 16.701 0.898 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.009 17.525 1.136 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.029 17.726 2.575 1.00 0.00 H new ATOM 0 HG SER A 12 24.113 16.824 3.050 1.00 0.00 H new ATOM 137 N GLY A 13 23.003 14.408 0.558 1.00 0.00 N ATOM 138 CA GLY A 13 23.647 13.556 -0.425 1.00 0.00 C ATOM 139 C GLY A 13 24.276 12.326 0.198 1.00 0.00 C ATOM 140 O GLY A 13 25.476 12.302 0.470 1.00 0.00 O ATOM 0 H GLY A 13 23.364 14.315 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 13 22.914 13.248 -1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 13 24.414 14.126 -0.949 1.00 0.00 H new ATOM 144 N LYS A 14 23.464 11.299 0.425 1.00 0.00 N ATOM 145 CA LYS A 14 23.946 10.058 1.020 1.00 0.00 C ATOM 146 C LYS A 14 23.110 8.870 0.554 1.00 0.00 C ATOM 147 O LYS A 14 21.908 8.809 0.809 1.00 0.00 O ATOM 148 CB LYS A 14 23.910 10.153 2.547 1.00 0.00 C ATOM 149 CG LYS A 14 25.188 10.709 3.152 1.00 0.00 C ATOM 150 CD LYS A 14 26.336 9.720 3.036 1.00 0.00 C ATOM 151 CE LYS A 14 27.612 10.273 3.653 1.00 0.00 C ATOM 152 NZ LYS A 14 27.494 10.423 5.129 1.00 0.00 N ATOM 0 H LYS A 14 22.468 11.302 0.206 1.00 0.00 H new ATOM 0 HA LYS A 14 24.975 9.905 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 14 23.073 10.785 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 14 23.724 9.162 2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 14 25.455 11.639 2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 14 25.020 10.951 4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 14 26.066 8.787 3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 14 26.510 9.485 1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 14 28.445 9.609 3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 14 27.841 11.241 3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 28.431 10.622 5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 26.849 11.209 5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 27.120 9.543 5.539 1.00 0.00 H new ATOM 166 N GLN A 15 23.756 7.930 -0.128 1.00 0.00 N ATOM 167 CA GLN A 15 23.071 6.743 -0.628 1.00 0.00 C ATOM 168 C GLN A 15 22.639 5.839 0.522 1.00 0.00 C ATOM 169 O GLN A 15 23.472 5.214 1.179 1.00 0.00 O ATOM 170 CB GLN A 15 23.978 5.971 -1.587 1.00 0.00 C ATOM 171 CG GLN A 15 25.267 5.484 -0.946 1.00 0.00 C ATOM 172 CD GLN A 15 26.321 5.105 -1.968 1.00 0.00 C ATOM 173 OE1 GLN A 15 26.245 5.503 -3.131 1.00 0.00 O ATOM 174 NE2 GLN A 15 27.312 4.333 -1.539 1.00 0.00 N ATOM 0 H GLN A 15 24.752 7.967 -0.347 1.00 0.00 H new ATOM 0 HA GLN A 15 22.180 7.068 -1.165 1.00 0.00 H new ATOM 0 HB2 GLN A 15 23.431 5.114 -1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 15 24.223 6.610 -2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 15 25.662 6.264 -0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 15 25.051 4.622 -0.315 1.00 0.00 H new ATOM 0 HE21 GLN A 15 27.335 4.026 -0.566 1.00 0.00 H new ATOM 0 HE22 GLN A 15 28.050 4.046 -2.182 1.00 0.00 H new ATOM 183 N ASP A 16 21.334 5.774 0.759 1.00 0.00 N ATOM 184 CA ASP A 16 20.791 4.946 1.829 1.00 0.00 C ATOM 185 C ASP A 16 19.581 4.154 1.343 1.00 0.00 C ATOM 186 O ASP A 16 19.114 4.344 0.221 1.00 0.00 O ATOM 187 CB ASP A 16 20.401 5.813 3.027 1.00 0.00 C ATOM 188 CG ASP A 16 21.604 6.439 3.705 1.00 0.00 C ATOM 189 OD1 ASP A 16 22.390 5.694 4.328 1.00 0.00 O ATOM 190 OD2 ASP A 16 21.761 7.674 3.611 1.00 0.00 O ATOM 0 H ASP A 16 20.632 6.285 0.224 1.00 0.00 H new ATOM 0 HA ASP A 16 21.564 4.242 2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 16 19.723 6.600 2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 16 19.856 5.205 3.749 1.00 0.00 H new ATOM 195 N GLU A 17 19.080 3.266 2.196 1.00 0.00 N ATOM 196 CA GLU A 17 17.926 2.444 1.852 1.00 0.00 C ATOM 197 C GLU A 17 16.632 3.093 2.335 1.00 0.00 C ATOM 198 O GLU A 17 15.603 3.026 1.664 1.00 0.00 O ATOM 199 CB GLU A 17 18.067 1.047 2.460 1.00 0.00 C ATOM 200 CG GLU A 17 18.217 1.053 3.971 1.00 0.00 C ATOM 201 CD GLU A 17 18.078 -0.330 4.577 1.00 0.00 C ATOM 202 OE1 GLU A 17 19.084 -1.068 4.611 1.00 0.00 O ATOM 203 OE2 GLU A 17 16.961 -0.673 5.019 1.00 0.00 O ATOM 0 H GLU A 17 19.455 3.098 3.130 1.00 0.00 H new ATOM 0 HA GLU A 17 17.885 2.357 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 17 17.193 0.454 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 17 18.934 0.554 2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 17 19.192 1.464 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.465 1.713 4.404 1.00 0.00 H new ATOM 210 N ALA A 18 16.694 3.721 3.505 1.00 0.00 N ATOM 211 CA ALA A 18 15.529 4.384 4.078 1.00 0.00 C ATOM 212 C ALA A 18 14.839 5.271 3.048 1.00 0.00 C ATOM 213 O ALA A 18 13.624 5.198 2.866 1.00 0.00 O ATOM 214 CB ALA A 18 15.933 5.202 5.296 1.00 0.00 C ATOM 0 H ALA A 18 17.538 3.784 4.074 1.00 0.00 H new ATOM 0 HA ALA A 18 14.821 3.615 4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.053 5.692 5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.373 4.545 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.663 5.956 5.002 1.00 0.00 H new ATOM 220 N TRP A 19 15.622 6.108 2.376 1.00 0.00 N ATOM 221 CA TRP A 19 15.086 7.011 1.364 1.00 0.00 C ATOM 222 C TRP A 19 14.462 6.229 0.213 1.00 0.00 C ATOM 223 O TRP A 19 13.470 6.659 -0.376 1.00 0.00 O ATOM 224 CB TRP A 19 16.188 7.930 0.835 1.00 0.00 C ATOM 225 CG TRP A 19 17.051 7.283 -0.207 1.00 0.00 C ATOM 226 CD1 TRP A 19 18.326 6.822 -0.043 1.00 0.00 C ATOM 227 CD2 TRP A 19 16.701 7.030 -1.572 1.00 0.00 C ATOM 228 NE1 TRP A 19 18.790 6.296 -1.225 1.00 0.00 N ATOM 229 CE2 TRP A 19 17.812 6.411 -2.178 1.00 0.00 C ATOM 230 CE3 TRP A 19 15.558 7.263 -2.340 1.00 0.00 C ATOM 231 CZ2 TRP A 19 17.811 6.025 -3.516 1.00 0.00 C ATOM 232 CZ3 TRP A 19 15.559 6.880 -3.668 1.00 0.00 C ATOM 233 CH2 TRP A 19 16.678 6.266 -4.245 1.00 0.00 C ATOM 0 H TRP A 19 16.630 6.180 2.514 1.00 0.00 H new ATOM 0 HA TRP A 19 14.310 7.618 1.829 1.00 0.00 H new ATOM 0 HB2 TRP A 19 15.733 8.827 0.414 1.00 0.00 H new ATOM 0 HB3 TRP A 19 16.814 8.251 1.667 1.00 0.00 H new ATOM 0 HD1 TRP A 19 18.887 6.864 0.879 1.00 0.00 H new ATOM 0 HE1 TRP A 19 19.713 5.886 -1.369 1.00 0.00 H new ATOM 0 HE3 TRP A 19 14.689 7.734 -1.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 18.673 5.552 -3.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 14.681 7.057 -4.272 1.00 0.00 H new ATOM 0 HH2 TRP A 19 16.646 5.977 -5.285 1.00 0.00 H new ATOM 244 N ILE A 20 15.050 5.079 -0.102 1.00 0.00 N ATOM 245 CA ILE A 20 14.550 4.238 -1.182 1.00 0.00 C ATOM 246 C ILE A 20 13.155 3.710 -0.867 1.00 0.00 C ATOM 247 O ILE A 20 12.260 3.749 -1.711 1.00 0.00 O ATOM 248 CB ILE A 20 15.489 3.047 -1.449 1.00 0.00 C ATOM 249 CG1 ILE A 20 16.858 3.543 -1.918 1.00 0.00 C ATOM 250 CG2 ILE A 20 14.878 2.110 -2.479 1.00 0.00 C ATOM 251 CD1 ILE A 20 17.898 2.449 -2.012 1.00 0.00 C ATOM 0 H ILE A 20 15.872 4.709 0.375 1.00 0.00 H new ATOM 0 HA ILE A 20 14.506 4.863 -2.074 1.00 0.00 H new ATOM 0 HB ILE A 20 15.623 2.495 -0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.749 4.015 -2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.212 4.311 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.554 1.274 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.925 1.734 -2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.717 2.650 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.843 2.874 -2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 20 18.036 1.993 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.566 1.691 -2.722 1.00 0.00 H new ATOM 263 N MET A 21 12.976 3.217 0.354 1.00 0.00 N ATOM 264 CA MET A 21 11.688 2.684 0.782 1.00 0.00 C ATOM 265 C MET A 21 10.541 3.517 0.220 1.00 0.00 C ATOM 266 O MET A 21 9.521 2.978 -0.207 1.00 0.00 O ATOM 267 CB MET A 21 11.608 2.649 2.310 1.00 0.00 C ATOM 268 CG MET A 21 10.260 2.186 2.837 1.00 0.00 C ATOM 269 SD MET A 21 10.152 0.393 2.989 1.00 0.00 S ATOM 270 CE MET A 21 9.574 -0.050 1.352 1.00 0.00 C ATOM 0 H MET A 21 13.707 3.176 1.064 1.00 0.00 H new ATOM 0 HA MET A 21 11.598 1.668 0.398 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.385 1.987 2.691 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.819 3.645 2.700 1.00 0.00 H new ATOM 0 HG2 MET A 21 10.079 2.641 3.811 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.473 2.538 2.170 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.971 -0.956 1.412 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.970 0.762 0.947 1.00 0.00 H new ATOM 0 HE3 MET A 21 10.429 -0.226 0.699 1.00 0.00 H new ATOM 280 N SER A 22 10.715 4.835 0.224 1.00 0.00 N ATOM 281 CA SER A 22 9.692 5.743 -0.281 1.00 0.00 C ATOM 282 C SER A 22 9.374 5.443 -1.743 1.00 0.00 C ATOM 283 O SER A 22 8.209 5.376 -2.135 1.00 0.00 O ATOM 284 CB SER A 22 10.152 7.195 -0.135 1.00 0.00 C ATOM 285 OG SER A 22 9.110 8.096 -0.469 1.00 0.00 O ATOM 0 H SER A 22 11.555 5.298 0.571 1.00 0.00 H new ATOM 0 HA SER A 22 8.787 5.595 0.308 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.478 7.375 0.889 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.012 7.374 -0.780 1.00 0.00 H new ATOM 0 HG SER A 22 9.429 9.017 -0.366 1.00 0.00 H new ATOM 291 N ARG A 23 10.419 5.262 -2.544 1.00 0.00 N ATOM 292 CA ARG A 23 10.252 4.970 -3.963 1.00 0.00 C ATOM 293 C ARG A 23 9.135 3.953 -4.181 1.00 0.00 C ATOM 294 O ARG A 23 8.248 4.158 -5.010 1.00 0.00 O ATOM 295 CB ARG A 23 11.560 4.442 -4.554 1.00 0.00 C ATOM 296 CG ARG A 23 12.616 5.517 -4.752 1.00 0.00 C ATOM 297 CD ARG A 23 13.567 5.162 -5.885 1.00 0.00 C ATOM 298 NE ARG A 23 13.031 5.545 -7.189 1.00 0.00 N ATOM 299 CZ ARG A 23 13.744 5.528 -8.310 1.00 0.00 C ATOM 300 NH1 ARG A 23 15.014 5.147 -8.286 1.00 0.00 N ATOM 301 NH2 ARG A 23 13.186 5.891 -9.458 1.00 0.00 N ATOM 0 H ARG A 23 11.390 5.312 -2.235 1.00 0.00 H new ATOM 0 HA ARG A 23 9.980 5.896 -4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.959 3.669 -3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.351 3.969 -5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.131 6.469 -4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.181 5.648 -3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.523 5.660 -5.725 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.761 4.089 -5.873 1.00 0.00 H new ATOM 0 HE ARG A 23 12.056 5.842 -7.242 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.446 4.866 -7.406 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.559 5.135 -9.148 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.209 6.183 -9.480 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.734 5.878 -10.318 1.00 0.00 H new ATOM 315 N LEU A 24 9.186 2.857 -3.432 1.00 0.00 N ATOM 316 CA LEU A 24 8.179 1.807 -3.543 1.00 0.00 C ATOM 317 C LEU A 24 6.803 2.328 -3.142 1.00 0.00 C ATOM 318 O LEU A 24 5.781 1.863 -3.649 1.00 0.00 O ATOM 319 CB LEU A 24 8.561 0.613 -2.667 1.00 0.00 C ATOM 320 CG LEU A 24 9.912 -0.036 -2.967 1.00 0.00 C ATOM 321 CD1 LEU A 24 10.202 -1.151 -1.975 1.00 0.00 C ATOM 322 CD2 LEU A 24 9.944 -0.567 -4.393 1.00 0.00 C ATOM 0 H LEU A 24 9.914 2.672 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 24 8.136 1.487 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.559 0.937 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.786 -0.147 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 24 10.688 0.723 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.168 -1.601 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.223 -0.743 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.423 -1.910 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.913 -1.026 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.158 -1.311 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.784 0.255 -5.091 1.00 0.00 H new ATOM 334 N ILE A 25 6.784 3.295 -2.232 1.00 0.00 N ATOM 335 CA ILE A 25 5.533 3.881 -1.766 1.00 0.00 C ATOM 336 C ILE A 25 4.887 4.734 -2.853 1.00 0.00 C ATOM 337 O ILE A 25 3.711 4.563 -3.174 1.00 0.00 O ATOM 338 CB ILE A 25 5.750 4.747 -0.511 1.00 0.00 C ATOM 339 CG1 ILE A 25 6.568 3.979 0.530 1.00 0.00 C ATOM 340 CG2 ILE A 25 4.413 5.179 0.072 1.00 0.00 C ATOM 341 CD1 ILE A 25 5.736 3.051 1.387 1.00 0.00 C ATOM 0 H ILE A 25 7.621 3.690 -1.802 1.00 0.00 H new ATOM 0 HA ILE A 25 4.870 3.052 -1.516 1.00 0.00 H new ATOM 0 HB ILE A 25 6.306 5.640 -0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.337 3.398 0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.082 4.692 1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.583 5.790 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.863 5.759 -0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.833 4.297 0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.381 2.540 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.984 3.629 1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.242 2.315 0.753 1.00 0.00 H new ATOM 353 N LYS A 26 5.665 5.652 -3.417 1.00 0.00 N ATOM 354 CA LYS A 26 5.171 6.530 -4.471 1.00 0.00 C ATOM 355 C LYS A 26 4.279 5.765 -5.443 1.00 0.00 C ATOM 356 O LYS A 26 3.184 6.216 -5.780 1.00 0.00 O ATOM 357 CB LYS A 26 6.342 7.163 -5.226 1.00 0.00 C ATOM 358 CG LYS A 26 5.911 8.096 -6.345 1.00 0.00 C ATOM 359 CD LYS A 26 5.483 9.451 -5.806 1.00 0.00 C ATOM 360 CE LYS A 26 6.684 10.338 -5.511 1.00 0.00 C ATOM 361 NZ LYS A 26 7.390 10.747 -6.756 1.00 0.00 N ATOM 0 H LYS A 26 6.640 5.807 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 26 4.579 7.318 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.961 7.717 -4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.965 6.372 -5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.733 8.226 -7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.086 7.646 -6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.835 9.944 -6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.898 9.314 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.356 11.226 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.377 9.806 -4.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.954 11.601 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.018 9.978 -7.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.692 10.948 -7.501 1.00 0.00 H new ATOM 375 N GLN A 27 4.753 4.607 -5.889 1.00 0.00 N ATOM 376 CA GLN A 27 3.997 3.780 -6.822 1.00 0.00 C ATOM 377 C GLN A 27 2.587 3.522 -6.301 1.00 0.00 C ATOM 378 O GLN A 27 1.624 3.507 -7.069 1.00 0.00 O ATOM 379 CB GLN A 27 4.717 2.451 -7.058 1.00 0.00 C ATOM 380 CG GLN A 27 5.785 2.521 -8.138 1.00 0.00 C ATOM 381 CD GLN A 27 5.294 3.200 -9.401 1.00 0.00 C ATOM 382 OE1 GLN A 27 4.517 2.476 -10.199 1.00 0.00 O flip ATOM 383 NE2 GLN A 27 5.609 4.362 -9.657 1.00 0.00 N flip ATOM 0 H GLN A 27 5.657 4.220 -5.619 1.00 0.00 H new ATOM 0 HA GLN A 27 3.923 4.318 -7.767 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.177 2.126 -6.125 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.983 1.693 -7.333 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.651 3.060 -7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.119 1.512 -8.379 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.208 4.881 -9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.271 4.806 -10.511 1.00 0.00 H new ATOM 392 N LEU A 28 2.473 3.320 -4.993 1.00 0.00 N ATOM 393 CA LEU A 28 1.179 3.063 -4.369 1.00 0.00 C ATOM 394 C LEU A 28 0.416 4.363 -4.141 1.00 0.00 C ATOM 395 O LEU A 28 -0.768 4.467 -4.464 1.00 0.00 O ATOM 396 CB LEU A 28 1.369 2.329 -3.040 1.00 0.00 C ATOM 397 CG LEU A 28 1.391 0.802 -3.114 1.00 0.00 C ATOM 398 CD1 LEU A 28 2.638 0.320 -3.839 1.00 0.00 C ATOM 399 CD2 LEU A 28 1.318 0.200 -1.718 1.00 0.00 C ATOM 0 H LEU A 28 3.260 3.329 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 28 0.596 2.436 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.305 2.665 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.568 2.629 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 28 0.518 0.472 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.636 -0.769 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.649 0.723 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.524 0.660 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.335 -0.888 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.172 0.538 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.395 0.518 -1.233 1.00 0.00 H new ATOM 411 N THR A 29 1.102 5.356 -3.583 1.00 0.00 N ATOM 412 CA THR A 29 0.490 6.651 -3.313 1.00 0.00 C ATOM 413 C THR A 29 -0.255 7.173 -4.536 1.00 0.00 C ATOM 414 O THR A 29 -1.118 8.044 -4.423 1.00 0.00 O ATOM 415 CB THR A 29 1.542 7.691 -2.884 1.00 0.00 C ATOM 416 OG1 THR A 29 2.436 7.960 -3.970 1.00 0.00 O ATOM 417 CG2 THR A 29 2.332 7.197 -1.681 1.00 0.00 C ATOM 0 H THR A 29 2.082 5.288 -3.309 1.00 0.00 H new ATOM 0 HA THR A 29 -0.217 6.502 -2.497 1.00 0.00 H new ATOM 0 HB THR A 29 1.022 8.608 -2.606 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.446 7.195 -4.583 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.069 7.948 -1.396 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.653 7.021 -0.847 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.841 6.268 -1.937 1.00 0.00 H new ATOM 425 N ASP A 30 0.083 6.635 -5.702 1.00 0.00 N ATOM 426 CA ASP A 30 -0.556 7.046 -6.947 1.00 0.00 C ATOM 427 C ASP A 30 -1.830 6.244 -7.195 1.00 0.00 C ATOM 428 O ASP A 30 -2.823 6.774 -7.692 1.00 0.00 O ATOM 429 CB ASP A 30 0.408 6.873 -8.122 1.00 0.00 C ATOM 430 CG ASP A 30 -0.178 7.367 -9.430 1.00 0.00 C ATOM 431 OD1 ASP A 30 -0.342 8.596 -9.580 1.00 0.00 O ATOM 432 OD2 ASP A 30 -0.472 6.525 -10.303 1.00 0.00 O ATOM 0 H ASP A 30 0.796 5.913 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.823 8.099 -6.859 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.331 7.414 -7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.671 5.820 -8.220 1.00 0.00 H new ATOM 437 N MET A 31 -1.792 4.962 -6.846 1.00 0.00 N ATOM 438 CA MET A 31 -2.944 4.086 -7.031 1.00 0.00 C ATOM 439 C MET A 31 -4.139 4.581 -6.222 1.00 0.00 C ATOM 440 O MET A 31 -5.166 4.961 -6.783 1.00 0.00 O ATOM 441 CB MET A 31 -2.594 2.654 -6.621 1.00 0.00 C ATOM 442 CG MET A 31 -2.011 1.823 -7.753 1.00 0.00 C ATOM 443 SD MET A 31 -0.591 2.613 -8.535 1.00 0.00 S ATOM 444 CE MET A 31 0.614 1.290 -8.463 1.00 0.00 C ATOM 0 H MET A 31 -0.977 4.507 -6.434 1.00 0.00 H new ATOM 0 HA MET A 31 -3.212 4.099 -8.087 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.879 2.685 -5.798 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.492 2.163 -6.245 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.712 0.848 -7.367 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.782 1.646 -8.503 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.550 1.625 -8.910 1.00 0.00 H new ATOM 0 HE2 MET A 31 0.788 1.012 -7.423 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.239 0.426 -9.012 1.00 0.00 H new ATOM 454 N GLY A 32 -3.997 4.574 -4.900 1.00 0.00 N ATOM 455 CA GLY A 32 -5.072 5.024 -4.036 1.00 0.00 C ATOM 456 C GLY A 32 -4.876 4.597 -2.595 1.00 0.00 C ATOM 457 O GLY A 32 -5.843 4.328 -1.882 1.00 0.00 O ATOM 0 H GLY A 32 -3.156 4.265 -4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.141 6.111 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.019 4.628 -4.403 1.00 0.00 H new ATOM 461 N PHE A 33 -3.620 4.533 -2.165 1.00 0.00 N ATOM 462 CA PHE A 33 -3.299 4.133 -0.799 1.00 0.00 C ATOM 463 C PHE A 33 -2.228 5.042 -0.204 1.00 0.00 C ATOM 464 O PHE A 33 -1.304 5.484 -0.887 1.00 0.00 O ATOM 465 CB PHE A 33 -2.825 2.679 -0.770 1.00 0.00 C ATOM 466 CG PHE A 33 -3.495 1.809 -1.795 1.00 0.00 C ATOM 467 CD1 PHE A 33 -4.840 1.496 -1.684 1.00 0.00 C ATOM 468 CD2 PHE A 33 -2.779 1.305 -2.869 1.00 0.00 C ATOM 469 CE1 PHE A 33 -5.458 0.695 -2.626 1.00 0.00 C ATOM 470 CE2 PHE A 33 -3.392 0.504 -3.813 1.00 0.00 C ATOM 471 CZ PHE A 33 -4.734 0.199 -3.692 1.00 0.00 C ATOM 0 H PHE A 33 -2.808 4.753 -2.742 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.203 4.225 -0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.747 2.653 -0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.008 2.265 0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.412 1.882 -0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.730 1.541 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.507 0.457 -2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.823 0.117 -4.645 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.216 -0.426 -4.429 1.00 0.00 H new ATOM 481 N PRO A 34 -2.353 5.328 1.100 1.00 0.00 N ATOM 482 CA PRO A 34 -1.405 6.186 1.817 1.00 0.00 C ATOM 483 C PRO A 34 -0.042 5.524 1.993 1.00 0.00 C ATOM 484 O PRO A 34 0.149 4.367 1.619 1.00 0.00 O ATOM 485 CB PRO A 34 -2.076 6.397 3.177 1.00 0.00 C ATOM 486 CG PRO A 34 -2.956 5.209 3.354 1.00 0.00 C ATOM 487 CD PRO A 34 -3.429 4.835 1.976 1.00 0.00 C ATOM 0 HA PRO A 34 -1.204 7.111 1.277 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.338 6.465 3.976 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.652 7.322 3.195 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.412 4.386 3.817 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.798 5.441 4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.566 3.758 1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.385 5.301 1.739 1.00 0.00 H new ATOM 495 N ARG A 35 0.901 6.266 2.564 1.00 0.00 N ATOM 496 CA ARG A 35 2.246 5.750 2.788 1.00 0.00 C ATOM 497 C ARG A 35 2.319 4.973 4.099 1.00 0.00 C ATOM 498 O ARG A 35 3.103 4.034 4.232 1.00 0.00 O ATOM 499 CB ARG A 35 3.259 6.897 2.806 1.00 0.00 C ATOM 500 CG ARG A 35 3.136 7.799 4.023 1.00 0.00 C ATOM 501 CD ARG A 35 2.181 8.954 3.767 1.00 0.00 C ATOM 502 NE ARG A 35 2.483 10.111 4.605 1.00 0.00 N ATOM 503 CZ ARG A 35 3.562 10.869 4.450 1.00 0.00 C ATOM 504 NH1 ARG A 35 4.438 10.594 3.493 1.00 0.00 N ATOM 505 NH2 ARG A 35 3.768 11.905 5.253 1.00 0.00 N ATOM 0 H ARG A 35 0.759 7.225 2.880 1.00 0.00 H new ATOM 0 HA ARG A 35 2.489 5.072 1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.266 6.482 2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.132 7.497 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.784 7.217 4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.118 8.190 4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.235 9.243 2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.158 8.627 3.955 1.00 0.00 H new ATOM 0 HE ARG A 35 1.829 10.350 5.350 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.284 9.798 2.874 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.266 11.178 3.376 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.097 12.120 5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.597 12.486 5.133 1.00 0.00 H new ATOM 519 N GLU A 36 1.497 5.373 5.065 1.00 0.00 N ATOM 520 CA GLU A 36 1.470 4.714 6.366 1.00 0.00 C ATOM 521 C GLU A 36 1.541 3.198 6.209 1.00 0.00 C ATOM 522 O GLU A 36 2.505 2.551 6.619 1.00 0.00 O ATOM 523 CB GLU A 36 0.203 5.100 7.131 1.00 0.00 C ATOM 524 CG GLU A 36 0.407 6.249 8.105 1.00 0.00 C ATOM 525 CD GLU A 36 -0.791 6.466 9.010 1.00 0.00 C ATOM 526 OE1 GLU A 36 -0.898 5.755 10.031 1.00 0.00 O ATOM 527 OE2 GLU A 36 -1.620 7.345 8.697 1.00 0.00 O ATOM 0 H GLU A 36 0.842 6.149 4.971 1.00 0.00 H new ATOM 0 HA GLU A 36 2.342 5.045 6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.574 5.374 6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.160 4.230 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.288 6.051 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.606 7.163 7.546 1.00 0.00 H new ATOM 534 N PRO A 37 0.496 2.616 5.602 1.00 0.00 N ATOM 535 CA PRO A 37 0.415 1.170 5.378 1.00 0.00 C ATOM 536 C PRO A 37 1.415 0.689 4.332 1.00 0.00 C ATOM 537 O PRO A 37 2.160 -0.262 4.563 1.00 0.00 O ATOM 538 CB PRO A 37 -1.018 0.968 4.880 1.00 0.00 C ATOM 539 CG PRO A 37 -1.399 2.277 4.279 1.00 0.00 C ATOM 540 CD PRO A 37 -0.687 3.326 5.088 1.00 0.00 C ATOM 0 HA PRO A 37 0.651 0.604 6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.072 0.165 4.145 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.687 0.698 5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.104 2.326 3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.479 2.423 4.314 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.407 4.183 4.476 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.313 3.703 5.897 1.00 0.00 H new ATOM 548 N ALA A 38 1.426 1.354 3.181 1.00 0.00 N ATOM 549 CA ALA A 38 2.336 0.995 2.100 1.00 0.00 C ATOM 550 C ALA A 38 3.756 0.800 2.621 1.00 0.00 C ATOM 551 O ALA A 38 4.551 0.075 2.024 1.00 0.00 O ATOM 552 CB ALA A 38 2.312 2.060 1.014 1.00 0.00 C ATOM 0 H ALA A 38 0.815 2.144 2.973 1.00 0.00 H new ATOM 0 HA ALA A 38 2.000 0.050 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.996 1.779 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.302 2.149 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.621 3.017 1.436 1.00 0.00 H new ATOM 558 N GLU A 39 4.068 1.453 3.736 1.00 0.00 N ATOM 559 CA GLU A 39 5.393 1.352 4.335 1.00 0.00 C ATOM 560 C GLU A 39 5.510 0.092 5.188 1.00 0.00 C ATOM 561 O GLU A 39 6.509 -0.623 5.123 1.00 0.00 O ATOM 562 CB GLU A 39 5.688 2.588 5.188 1.00 0.00 C ATOM 563 CG GLU A 39 6.957 2.468 6.015 1.00 0.00 C ATOM 564 CD GLU A 39 7.165 3.652 6.939 1.00 0.00 C ATOM 565 OE1 GLU A 39 6.265 3.931 7.758 1.00 0.00 O ATOM 566 OE2 GLU A 39 8.228 4.300 6.842 1.00 0.00 O ATOM 0 H GLU A 39 3.421 2.057 4.242 1.00 0.00 H new ATOM 0 HA GLU A 39 6.124 1.293 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.770 3.458 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.845 2.768 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.916 1.553 6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.814 2.378 5.348 1.00 0.00 H new ATOM 573 N GLU A 40 4.481 -0.172 5.988 1.00 0.00 N ATOM 574 CA GLU A 40 4.470 -1.344 6.855 1.00 0.00 C ATOM 575 C GLU A 40 4.411 -2.628 6.033 1.00 0.00 C ATOM 576 O GLU A 40 5.238 -3.523 6.201 1.00 0.00 O ATOM 577 CB GLU A 40 3.279 -1.285 7.814 1.00 0.00 C ATOM 578 CG GLU A 40 3.335 -0.116 8.783 1.00 0.00 C ATOM 579 CD GLU A 40 4.446 -0.259 9.806 1.00 0.00 C ATOM 580 OE1 GLU A 40 5.624 -0.085 9.430 1.00 0.00 O ATOM 581 OE2 GLU A 40 4.136 -0.545 10.981 1.00 0.00 O ATOM 0 H GLU A 40 3.645 0.409 6.053 1.00 0.00 H new ATOM 0 HA GLU A 40 5.394 -1.345 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.359 -1.221 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.234 -2.215 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.478 0.808 8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.379 -0.031 9.300 1.00 0.00 H new ATOM 588 N ALA A 41 3.427 -2.710 5.144 1.00 0.00 N ATOM 589 CA ALA A 41 3.260 -3.883 4.294 1.00 0.00 C ATOM 590 C ALA A 41 4.583 -4.287 3.651 1.00 0.00 C ATOM 591 O ALA A 41 5.103 -5.374 3.908 1.00 0.00 O ATOM 592 CB ALA A 41 2.211 -3.616 3.225 1.00 0.00 C ATOM 0 H ALA A 41 2.733 -1.978 4.993 1.00 0.00 H new ATOM 0 HA ALA A 41 2.922 -4.709 4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.097 -4.500 2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.258 -3.383 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.525 -2.773 2.610 1.00 0.00 H new ATOM 598 N LEU A 42 5.121 -3.407 2.814 1.00 0.00 N ATOM 599 CA LEU A 42 6.384 -3.673 2.133 1.00 0.00 C ATOM 600 C LEU A 42 7.380 -4.343 3.074 1.00 0.00 C ATOM 601 O LEU A 42 7.907 -5.415 2.777 1.00 0.00 O ATOM 602 CB LEU A 42 6.976 -2.372 1.589 1.00 0.00 C ATOM 603 CG LEU A 42 6.203 -1.708 0.448 1.00 0.00 C ATOM 604 CD1 LEU A 42 6.534 -0.226 0.370 1.00 0.00 C ATOM 605 CD2 LEU A 42 6.510 -2.396 -0.874 1.00 0.00 C ATOM 0 H LEU A 42 4.703 -2.504 2.590 1.00 0.00 H new ATOM 0 HA LEU A 42 6.185 -4.350 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.054 -1.660 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.990 -2.574 1.245 1.00 0.00 H new ATOM 0 HG LEU A 42 5.137 -1.810 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.975 0.229 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.263 0.257 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.602 -0.101 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.952 -1.911 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.578 -2.325 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.221 -3.445 -0.814 1.00 0.00 H new ATOM 617 N LYS A 43 7.631 -3.706 4.213 1.00 0.00 N ATOM 618 CA LYS A 43 8.561 -4.241 5.201 1.00 0.00 C ATOM 619 C LYS A 43 8.335 -5.735 5.406 1.00 0.00 C ATOM 620 O LYS A 43 9.284 -6.494 5.608 1.00 0.00 O ATOM 621 CB LYS A 43 8.403 -3.503 6.532 1.00 0.00 C ATOM 622 CG LYS A 43 8.899 -2.067 6.494 1.00 0.00 C ATOM 623 CD LYS A 43 10.382 -1.981 6.813 1.00 0.00 C ATOM 624 CE LYS A 43 10.859 -0.538 6.858 1.00 0.00 C ATOM 625 NZ LYS A 43 10.568 0.103 8.171 1.00 0.00 N ATOM 0 H LYS A 43 7.203 -2.818 4.475 1.00 0.00 H new ATOM 0 HA LYS A 43 9.574 -4.092 4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.351 -3.508 6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.946 -4.046 7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.713 -1.643 5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.337 -1.468 7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.577 -2.460 7.772 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.949 -2.530 6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.932 -0.504 6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.376 0.029 6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.909 1.086 8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.542 0.094 8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.050 -0.423 8.928 1.00 0.00 H new ATOM 639 N SER A 44 7.074 -6.152 5.353 1.00 0.00 N ATOM 640 CA SER A 44 6.724 -7.556 5.535 1.00 0.00 C ATOM 641 C SER A 44 6.656 -8.278 4.193 1.00 0.00 C ATOM 642 O SER A 44 6.691 -9.506 4.134 1.00 0.00 O ATOM 643 CB SER A 44 5.384 -7.679 6.262 1.00 0.00 C ATOM 644 OG SER A 44 5.559 -7.627 7.668 1.00 0.00 O ATOM 0 H SER A 44 6.277 -5.537 5.185 1.00 0.00 H new ATOM 0 HA SER A 44 7.501 -8.023 6.139 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.720 -6.875 5.945 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.902 -8.617 5.987 1.00 0.00 H new ATOM 0 HG SER A 44 4.688 -7.706 8.109 1.00 0.00 H new ATOM 650 N ASN A 45 6.559 -7.505 3.117 1.00 0.00 N ATOM 651 CA ASN A 45 6.485 -8.069 1.774 1.00 0.00 C ATOM 652 C ASN A 45 7.851 -8.041 1.096 1.00 0.00 C ATOM 653 O ASN A 45 7.955 -7.795 -0.105 1.00 0.00 O ATOM 654 CB ASN A 45 5.468 -7.298 0.929 1.00 0.00 C ATOM 655 CG ASN A 45 4.037 -7.675 1.260 1.00 0.00 C ATOM 656 OD1 ASN A 45 3.536 -8.707 0.814 1.00 0.00 O ATOM 657 ND2 ASN A 45 3.372 -6.838 2.048 1.00 0.00 N ATOM 0 H ASN A 45 6.530 -6.486 3.148 1.00 0.00 H new ATOM 0 HA ASN A 45 6.163 -9.107 1.861 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.605 -6.228 1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.657 -7.491 -0.127 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.406 -7.039 2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.827 -5.994 2.395 1.00 0.00 H new ATOM 664 N ASN A 46 8.897 -8.296 1.875 1.00 0.00 N ATOM 665 CA ASN A 46 10.258 -8.301 1.350 1.00 0.00 C ATOM 666 C ASN A 46 10.461 -7.162 0.355 1.00 0.00 C ATOM 667 O ASN A 46 11.223 -7.290 -0.602 1.00 0.00 O ATOM 668 CB ASN A 46 10.564 -9.641 0.678 1.00 0.00 C ATOM 669 CG ASN A 46 12.046 -9.961 0.673 1.00 0.00 C ATOM 670 OD1 ASN A 46 12.564 -10.571 1.608 1.00 0.00 O ATOM 671 ND2 ASN A 46 12.736 -9.548 -0.384 1.00 0.00 N ATOM 0 H ASN A 46 8.829 -8.502 2.872 1.00 0.00 H new ATOM 0 HA ASN A 46 10.943 -8.157 2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.026 -10.435 1.195 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.196 -9.622 -0.348 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.737 -9.733 -0.444 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.265 -9.045 -1.136 1.00 0.00 H new ATOM 678 N MET A 47 9.773 -6.049 0.590 1.00 0.00 N ATOM 679 CA MET A 47 9.880 -4.887 -0.285 1.00 0.00 C ATOM 680 C MET A 47 9.336 -5.202 -1.675 1.00 0.00 C ATOM 681 O MET A 47 9.967 -4.890 -2.684 1.00 0.00 O ATOM 682 CB MET A 47 11.336 -4.430 -0.386 1.00 0.00 C ATOM 683 CG MET A 47 11.976 -4.136 0.961 1.00 0.00 C ATOM 684 SD MET A 47 11.701 -2.439 1.505 1.00 0.00 S ATOM 685 CE MET A 47 10.757 -2.712 3.002 1.00 0.00 C ATOM 0 H MET A 47 9.136 -5.927 1.378 1.00 0.00 H new ATOM 0 HA MET A 47 9.284 -4.083 0.146 1.00 0.00 H new ATOM 0 HB2 MET A 47 11.916 -5.201 -0.894 1.00 0.00 H new ATOM 0 HB3 MET A 47 11.385 -3.534 -1.005 1.00 0.00 H new ATOM 0 HG2 MET A 47 11.575 -4.822 1.707 1.00 0.00 H new ATOM 0 HG3 MET A 47 13.048 -4.324 0.898 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.083 -2.011 3.771 1.00 0.00 H new ATOM 0 HE2 MET A 47 9.697 -2.559 2.797 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.915 -3.732 3.351 1.00 0.00 H new ATOM 695 N ASN A 48 8.160 -5.821 -1.720 1.00 0.00 N ATOM 696 CA ASN A 48 7.532 -6.178 -2.986 1.00 0.00 C ATOM 697 C ASN A 48 6.288 -5.330 -3.235 1.00 0.00 C ATOM 698 O ASN A 48 5.649 -4.856 -2.295 1.00 0.00 O ATOM 699 CB ASN A 48 7.161 -7.662 -2.995 1.00 0.00 C ATOM 700 CG ASN A 48 7.201 -8.260 -4.388 1.00 0.00 C ATOM 701 OD1 ASN A 48 6.487 -7.817 -5.287 1.00 0.00 O ATOM 702 ND2 ASN A 48 8.040 -9.274 -4.572 1.00 0.00 N ATOM 0 H ASN A 48 7.623 -6.085 -0.894 1.00 0.00 H new ATOM 0 HA ASN A 48 8.248 -5.984 -3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.847 -8.209 -2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.162 -7.786 -2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.111 -9.718 -5.488 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.613 -9.609 -3.797 1.00 0.00 H new ATOM 709 N LEU A 49 5.951 -5.143 -4.506 1.00 0.00 N ATOM 710 CA LEU A 49 4.783 -4.352 -4.880 1.00 0.00 C ATOM 711 C LEU A 49 3.557 -5.243 -5.058 1.00 0.00 C ATOM 712 O LEU A 49 2.475 -4.932 -4.561 1.00 0.00 O ATOM 713 CB LEU A 49 5.058 -3.579 -6.170 1.00 0.00 C ATOM 714 CG LEU A 49 4.330 -2.243 -6.320 1.00 0.00 C ATOM 715 CD1 LEU A 49 4.895 -1.215 -5.351 1.00 0.00 C ATOM 716 CD2 LEU A 49 4.429 -1.739 -7.752 1.00 0.00 C ATOM 0 H LEU A 49 6.470 -5.528 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 49 4.581 -3.644 -4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.130 -3.395 -6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.789 -4.213 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 49 3.277 -2.396 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.365 -0.271 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.771 -1.572 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.955 -1.065 -5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.905 -0.787 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.477 -1.602 -8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.976 -2.466 -8.426 1.00 0.00 H new ATOM 728 N ASP A 50 3.736 -6.351 -5.768 1.00 0.00 N ATOM 729 CA ASP A 50 2.646 -7.289 -6.009 1.00 0.00 C ATOM 730 C ASP A 50 2.187 -7.935 -4.705 1.00 0.00 C ATOM 731 O ASP A 50 0.996 -8.176 -4.507 1.00 0.00 O ATOM 732 CB ASP A 50 3.082 -8.367 -7.001 1.00 0.00 C ATOM 733 CG ASP A 50 3.919 -7.807 -8.135 1.00 0.00 C ATOM 734 OD1 ASP A 50 3.333 -7.408 -9.163 1.00 0.00 O ATOM 735 OD2 ASP A 50 5.159 -7.768 -7.994 1.00 0.00 O ATOM 0 H ASP A 50 4.626 -6.622 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 50 1.809 -6.734 -6.433 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.654 -9.131 -6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.199 -8.856 -7.412 1.00 0.00 H new ATOM 740 N GLN A 51 3.139 -8.215 -3.822 1.00 0.00 N ATOM 741 CA GLN A 51 2.832 -8.835 -2.538 1.00 0.00 C ATOM 742 C GLN A 51 2.244 -7.816 -1.568 1.00 0.00 C ATOM 743 O GLN A 51 1.306 -8.117 -0.830 1.00 0.00 O ATOM 744 CB GLN A 51 4.091 -9.462 -1.937 1.00 0.00 C ATOM 745 CG GLN A 51 4.903 -10.272 -2.934 1.00 0.00 C ATOM 746 CD GLN A 51 4.161 -11.496 -3.435 1.00 0.00 C ATOM 747 OE1 GLN A 51 3.085 -11.831 -2.937 1.00 0.00 O ATOM 748 NE2 GLN A 51 4.731 -12.171 -4.426 1.00 0.00 N ATOM 0 H GLN A 51 4.129 -8.023 -3.972 1.00 0.00 H new ATOM 0 HA GLN A 51 2.091 -9.616 -2.708 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.719 -8.672 -1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.805 -10.106 -1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.166 -9.639 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.837 -10.584 -2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.623 -11.858 -4.809 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.277 -13.002 -4.804 1.00 0.00 H new ATOM 757 N ALA A 52 2.802 -6.610 -1.574 1.00 0.00 N ATOM 758 CA ALA A 52 2.332 -5.546 -0.696 1.00 0.00 C ATOM 759 C ALA A 52 0.957 -5.046 -1.127 1.00 0.00 C ATOM 760 O ALA A 52 0.025 -4.997 -0.325 1.00 0.00 O ATOM 761 CB ALA A 52 3.331 -4.398 -0.675 1.00 0.00 C ATOM 0 H ALA A 52 3.581 -6.345 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 52 2.243 -5.953 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.967 -3.611 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.293 -4.759 -0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.450 -4.001 -1.683 1.00 0.00 H new ATOM 767 N MET A 53 0.839 -4.674 -2.397 1.00 0.00 N ATOM 768 CA MET A 53 -0.423 -4.178 -2.934 1.00 0.00 C ATOM 769 C MET A 53 -1.576 -5.100 -2.552 1.00 0.00 C ATOM 770 O MET A 53 -2.602 -4.648 -2.043 1.00 0.00 O ATOM 771 CB MET A 53 -0.339 -4.050 -4.456 1.00 0.00 C ATOM 772 CG MET A 53 0.371 -2.790 -4.922 1.00 0.00 C ATOM 773 SD MET A 53 0.761 -2.823 -6.682 1.00 0.00 S ATOM 774 CE MET A 53 -0.833 -3.258 -7.374 1.00 0.00 C ATOM 0 H MET A 53 1.602 -4.706 -3.074 1.00 0.00 H new ATOM 0 HA MET A 53 -0.611 -3.194 -2.504 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.181 -4.920 -4.857 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.347 -4.063 -4.870 1.00 0.00 H new ATOM 0 HG2 MET A 53 -0.256 -1.924 -4.709 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.292 -2.665 -4.352 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.836 -3.044 -8.443 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.021 -4.320 -7.216 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.613 -2.675 -6.885 1.00 0.00 H new ATOM 784 N SER A 54 -1.401 -6.394 -2.800 1.00 0.00 N ATOM 785 CA SER A 54 -2.429 -7.378 -2.485 1.00 0.00 C ATOM 786 C SER A 54 -2.705 -7.415 -0.986 1.00 0.00 C ATOM 787 O SER A 54 -3.842 -7.612 -0.557 1.00 0.00 O ATOM 788 CB SER A 54 -2.003 -8.765 -2.972 1.00 0.00 C ATOM 789 OG SER A 54 -1.676 -8.744 -4.350 1.00 0.00 O ATOM 0 H SER A 54 -0.557 -6.785 -3.218 1.00 0.00 H new ATOM 0 HA SER A 54 -3.346 -7.086 -2.998 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.143 -9.108 -2.396 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.808 -9.478 -2.797 1.00 0.00 H new ATOM 0 HG SER A 54 -0.720 -8.557 -4.457 1.00 0.00 H new ATOM 795 N ALA A 55 -1.656 -7.225 -0.192 1.00 0.00 N ATOM 796 CA ALA A 55 -1.784 -7.234 1.260 1.00 0.00 C ATOM 797 C ALA A 55 -2.665 -6.086 1.740 1.00 0.00 C ATOM 798 O ALA A 55 -3.303 -6.177 2.790 1.00 0.00 O ATOM 799 CB ALA A 55 -0.412 -7.157 1.911 1.00 0.00 C ATOM 0 H ALA A 55 -0.708 -7.063 -0.530 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.260 -8.170 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.523 -7.165 2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.186 -8.014 1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.085 -6.237 1.604 1.00 0.00 H new ATOM 805 N LEU A 56 -2.696 -5.007 0.967 1.00 0.00 N ATOM 806 CA LEU A 56 -3.500 -3.839 1.314 1.00 0.00 C ATOM 807 C LEU A 56 -4.886 -3.925 0.684 1.00 0.00 C ATOM 808 O LEU A 56 -5.890 -3.601 1.320 1.00 0.00 O ATOM 809 CB LEU A 56 -2.798 -2.559 0.859 1.00 0.00 C ATOM 810 CG LEU A 56 -1.333 -2.413 1.272 1.00 0.00 C ATOM 811 CD1 LEU A 56 -0.576 -1.562 0.264 1.00 0.00 C ATOM 812 CD2 LEU A 56 -1.229 -1.811 2.666 1.00 0.00 C ATOM 0 H LEU A 56 -2.174 -4.916 0.095 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.615 -3.817 2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.855 -2.504 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.352 -1.706 1.251 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.881 -3.405 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.465 -1.469 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.621 -2.034 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.028 -0.572 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.179 -1.715 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.698 -0.827 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.735 -2.460 3.381 1.00 0.00 H new ATOM 824 N LEU A 57 -4.934 -4.365 -0.569 1.00 0.00 N ATOM 825 CA LEU A 57 -6.198 -4.496 -1.285 1.00 0.00 C ATOM 826 C LEU A 57 -7.030 -5.642 -0.718 1.00 0.00 C ATOM 827 O LEU A 57 -8.194 -5.460 -0.364 1.00 0.00 O ATOM 828 CB LEU A 57 -5.940 -4.726 -2.775 1.00 0.00 C ATOM 829 CG LEU A 57 -5.778 -3.469 -3.631 1.00 0.00 C ATOM 830 CD1 LEU A 57 -4.871 -3.746 -4.820 1.00 0.00 C ATOM 831 CD2 LEU A 57 -7.135 -2.964 -4.099 1.00 0.00 C ATOM 0 H LEU A 57 -4.113 -4.637 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.757 -3.569 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.038 -5.330 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.765 -5.313 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.315 -2.694 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.768 -2.840 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.890 -4.060 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.305 -4.537 -5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.000 -2.069 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.625 -3.735 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.753 -2.725 -3.233 1.00 0.00 H new ATOM 843 N GLU A 58 -6.422 -6.821 -0.633 1.00 0.00 N ATOM 844 CA GLU A 58 -7.107 -7.996 -0.107 1.00 0.00 C ATOM 845 C GLU A 58 -8.077 -7.608 1.005 1.00 0.00 C ATOM 846 O GLU A 58 -9.186 -8.136 1.090 1.00 0.00 O ATOM 847 CB GLU A 58 -6.092 -9.013 0.419 1.00 0.00 C ATOM 848 CG GLU A 58 -5.317 -8.527 1.633 1.00 0.00 C ATOM 849 CD GLU A 58 -6.078 -8.726 2.929 1.00 0.00 C ATOM 850 OE1 GLU A 58 -6.962 -9.606 2.970 1.00 0.00 O ATOM 851 OE2 GLU A 58 -5.789 -7.999 3.903 1.00 0.00 O ATOM 0 H GLU A 58 -5.458 -6.988 -0.921 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.675 -8.448 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.614 -9.935 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.388 -9.257 -0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.367 -9.058 1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.085 -7.469 1.511 1.00 0.00 H new ATOM 858 N LYS A 59 -7.652 -6.682 1.857 1.00 0.00 N ATOM 859 CA LYS A 59 -8.481 -6.221 2.964 1.00 0.00 C ATOM 860 C LYS A 59 -9.949 -6.157 2.554 1.00 0.00 C ATOM 861 O LYS A 59 -10.819 -6.702 3.234 1.00 0.00 O ATOM 862 CB LYS A 59 -8.013 -4.843 3.439 1.00 0.00 C ATOM 863 CG LYS A 59 -6.689 -4.874 4.183 1.00 0.00 C ATOM 864 CD LYS A 59 -6.376 -3.530 4.819 1.00 0.00 C ATOM 865 CE LYS A 59 -7.125 -3.346 6.130 1.00 0.00 C ATOM 866 NZ LYS A 59 -6.499 -4.117 7.240 1.00 0.00 N ATOM 0 H LYS A 59 -6.737 -6.235 1.802 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.381 -6.934 3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.920 -4.183 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.776 -4.414 4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.722 -5.644 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.890 -5.147 3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.304 -3.452 4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.644 -2.729 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.147 -2.288 6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.160 -3.665 6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.965 -3.874 8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.607 -5.135 7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.488 -3.881 7.300 1.00 0.00 H new ATOM 880 N LYS A 60 -10.219 -5.489 1.437 1.00 0.00 N ATOM 881 CA LYS A 60 -11.581 -5.357 0.934 1.00 0.00 C ATOM 882 C LYS A 60 -11.642 -5.664 -0.558 1.00 0.00 C ATOM 883 O LYS A 60 -10.672 -5.453 -1.286 1.00 0.00 O ATOM 884 CB LYS A 60 -12.108 -3.944 1.197 1.00 0.00 C ATOM 885 CG LYS A 60 -12.127 -3.566 2.668 1.00 0.00 C ATOM 886 CD LYS A 60 -10.804 -2.960 3.106 1.00 0.00 C ATOM 887 CE LYS A 60 -10.690 -1.505 2.680 1.00 0.00 C ATOM 888 NZ LYS A 60 -9.284 -1.018 2.740 1.00 0.00 N ATOM 0 H LYS A 60 -9.512 -5.030 0.863 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.208 -6.077 1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.490 -3.228 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.118 -3.862 0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.932 -2.855 2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.340 -4.450 3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.711 -3.031 4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.981 -3.531 2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.070 -1.393 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.316 -0.888 3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.249 -0.022 2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.929 -1.101 3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.691 -1.590 2.106 1.00 0.00 H new ATOM 902 N VAL A 61 -12.789 -6.162 -1.009 1.00 0.00 N ATOM 903 CA VAL A 61 -12.977 -6.496 -2.416 1.00 0.00 C ATOM 904 C VAL A 61 -13.159 -5.239 -3.259 1.00 0.00 C ATOM 905 O VAL A 61 -14.211 -4.601 -3.223 1.00 0.00 O ATOM 906 CB VAL A 61 -14.197 -7.416 -2.616 1.00 0.00 C ATOM 907 CG1 VAL A 61 -14.414 -7.700 -4.094 1.00 0.00 C ATOM 908 CG2 VAL A 61 -14.021 -8.710 -1.836 1.00 0.00 C ATOM 0 H VAL A 61 -13.602 -6.343 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.078 -7.021 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.082 -6.906 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -15.280 -8.351 -4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.587 -6.763 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.531 -8.190 -4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -14.892 -9.348 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.127 -9.227 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.918 -8.484 -0.775 1.00 0.00 H new ATOM 918 N ASP A 62 -12.127 -4.889 -4.018 1.00 0.00 N ATOM 919 CA ASP A 62 -12.172 -3.708 -4.873 1.00 0.00 C ATOM 920 C ASP A 62 -11.606 -4.016 -6.256 1.00 0.00 C ATOM 921 O ASP A 62 -11.268 -5.160 -6.559 1.00 0.00 O ATOM 922 CB ASP A 62 -11.392 -2.559 -4.233 1.00 0.00 C ATOM 923 CG ASP A 62 -11.720 -2.383 -2.764 1.00 0.00 C ATOM 924 OD1 ASP A 62 -12.895 -2.580 -2.390 1.00 0.00 O ATOM 925 OD2 ASP A 62 -10.801 -2.050 -1.987 1.00 0.00 O ATOM 0 H ASP A 62 -11.249 -5.406 -4.059 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.215 -3.411 -4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.323 -2.743 -4.344 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.613 -1.634 -4.765 1.00 0.00 H new ATOM 930 N VAL A 63 -11.507 -2.987 -7.092 1.00 0.00 N ATOM 931 CA VAL A 63 -10.982 -3.148 -8.443 1.00 0.00 C ATOM 932 C VAL A 63 -9.663 -2.402 -8.612 1.00 0.00 C ATOM 933 O VAL A 63 -9.624 -1.172 -8.572 1.00 0.00 O ATOM 934 CB VAL A 63 -11.984 -2.642 -9.497 1.00 0.00 C ATOM 935 CG1 VAL A 63 -12.307 -1.174 -9.267 1.00 0.00 C ATOM 936 CG2 VAL A 63 -11.438 -2.863 -10.900 1.00 0.00 C ATOM 0 H VAL A 63 -11.783 -2.034 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 63 -10.815 -4.214 -8.594 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.908 -3.212 -9.397 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -13.017 -0.835 -10.022 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -12.744 -1.048 -8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.393 -0.585 -9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -12.159 -2.500 -11.632 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.499 -2.321 -11.015 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.264 -3.927 -11.059 1.00 0.00 H new ATOM 946 N ASP A 64 -8.585 -3.154 -8.802 1.00 0.00 N ATOM 947 CA ASP A 64 -7.263 -2.565 -8.979 1.00 0.00 C ATOM 948 C ASP A 64 -6.809 -2.676 -10.432 1.00 0.00 C ATOM 949 O ASP A 64 -7.466 -3.317 -11.252 1.00 0.00 O ATOM 950 CB ASP A 64 -6.249 -3.249 -8.061 1.00 0.00 C ATOM 951 CG ASP A 64 -6.058 -4.714 -8.400 1.00 0.00 C ATOM 952 OD1 ASP A 64 -5.550 -5.007 -9.502 1.00 0.00 O ATOM 953 OD2 ASP A 64 -6.415 -5.567 -7.561 1.00 0.00 O ATOM 0 H ASP A 64 -8.601 -4.173 -8.837 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.324 -1.509 -8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.291 -2.734 -8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.581 -3.159 -7.027 1.00 0.00 H new ATOM 958 N LYS A 65 -5.682 -2.045 -10.743 1.00 0.00 N ATOM 959 CA LYS A 65 -5.139 -2.072 -12.096 1.00 0.00 C ATOM 960 C LYS A 65 -4.669 -3.476 -12.466 1.00 0.00 C ATOM 961 O LYS A 65 -4.253 -4.249 -11.603 1.00 0.00 O ATOM 962 CB LYS A 65 -3.976 -1.085 -12.221 1.00 0.00 C ATOM 963 CG LYS A 65 -3.782 -0.550 -13.629 1.00 0.00 C ATOM 964 CD LYS A 65 -4.833 0.489 -13.981 1.00 0.00 C ATOM 965 CE LYS A 65 -4.537 1.828 -13.322 1.00 0.00 C ATOM 966 NZ LYS A 65 -5.635 2.809 -13.542 1.00 0.00 N ATOM 0 H LYS A 65 -5.127 -1.509 -10.076 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.932 -1.779 -12.784 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.146 -0.248 -11.543 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.058 -1.575 -11.898 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.789 -0.109 -13.718 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.830 -1.373 -14.342 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.873 0.616 -15.063 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.815 0.136 -13.665 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.390 1.681 -12.252 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.605 2.230 -13.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.395 3.708 -13.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.759 2.968 -14.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.519 2.437 -13.140 1.00 0.00 H new ATOM 980 N ARG A 66 -4.738 -3.798 -13.754 1.00 0.00 N ATOM 981 CA ARG A 66 -4.320 -5.108 -14.237 1.00 0.00 C ATOM 982 C ARG A 66 -3.040 -5.561 -13.540 1.00 0.00 C ATOM 983 O ARG A 66 -2.923 -6.711 -13.120 1.00 0.00 O ATOM 984 CB ARG A 66 -4.104 -5.072 -15.751 1.00 0.00 C ATOM 985 CG ARG A 66 -5.360 -4.736 -16.537 1.00 0.00 C ATOM 986 CD ARG A 66 -5.025 -4.111 -17.883 1.00 0.00 C ATOM 987 NE ARG A 66 -4.335 -5.049 -18.764 1.00 0.00 N ATOM 988 CZ ARG A 66 -3.842 -4.714 -19.951 1.00 0.00 C ATOM 989 NH1 ARG A 66 -3.962 -3.471 -20.396 1.00 0.00 N ATOM 990 NH2 ARG A 66 -3.227 -5.624 -20.696 1.00 0.00 N ATOM 0 H ARG A 66 -5.079 -3.169 -14.481 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.111 -5.822 -14.007 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.333 -4.337 -15.982 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.729 -6.041 -16.079 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.947 -5.641 -16.691 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.979 -4.049 -15.960 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.942 -3.770 -18.363 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.400 -3.231 -17.729 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.226 -6.014 -18.451 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.434 -2.769 -19.826 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.582 -3.217 -21.308 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.133 -6.581 -20.357 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.849 -5.366 -21.607 1.00 0.00 H new ATOM 1004 N GLY A 67 -2.081 -4.648 -13.423 1.00 0.00 N ATOM 1005 CA GLY A 67 -0.822 -4.972 -12.779 1.00 0.00 C ATOM 1006 C GLY A 67 0.374 -4.431 -13.536 1.00 0.00 C ATOM 1007 O GLY A 67 0.293 -4.172 -14.738 1.00 0.00 O ATOM 0 H GLY A 67 -2.154 -3.689 -13.763 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.821 -4.567 -11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.732 -6.055 -12.689 1.00 0.00 H new ATOM 1011 N LEU A 68 1.488 -4.257 -12.833 1.00 0.00 N ATOM 1012 CA LEU A 68 2.707 -3.740 -13.447 1.00 0.00 C ATOM 1013 C LEU A 68 3.554 -4.875 -14.013 1.00 0.00 C ATOM 1014 O LEU A 68 4.255 -5.567 -13.277 1.00 0.00 O ATOM 1015 CB LEU A 68 3.519 -2.944 -12.424 1.00 0.00 C ATOM 1016 CG LEU A 68 2.974 -1.562 -12.063 1.00 0.00 C ATOM 1017 CD1 LEU A 68 1.863 -1.678 -11.031 1.00 0.00 C ATOM 1018 CD2 LEU A 68 4.091 -0.665 -11.549 1.00 0.00 C ATOM 0 H LEU A 68 1.573 -4.466 -11.838 1.00 0.00 H new ATOM 0 HA LEU A 68 2.421 -3.081 -14.266 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.592 -3.534 -11.510 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.532 -2.824 -12.808 1.00 0.00 H new ATOM 0 HG LEU A 68 2.558 -1.111 -12.964 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.488 -0.684 -10.787 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.052 -2.283 -11.436 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.252 -2.151 -10.129 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.684 0.314 -11.297 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.537 -1.112 -10.661 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.853 -0.554 -12.321 1.00 0.00 H new ATOM 1030 N GLY A 69 3.486 -5.058 -15.329 1.00 0.00 N ATOM 1031 CA GLY A 69 4.253 -6.109 -15.972 1.00 0.00 C ATOM 1032 C GLY A 69 4.429 -5.871 -17.459 1.00 0.00 C ATOM 1033 O GLY A 69 3.792 -6.531 -18.280 1.00 0.00 O ATOM 0 H GLY A 69 2.914 -4.497 -15.960 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.233 -6.180 -15.500 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.754 -7.066 -15.817 1.00 0.00 H new ATOM 1037 N VAL A 70 5.294 -4.923 -17.807 1.00 0.00 N ATOM 1038 CA VAL A 70 5.551 -4.599 -19.205 1.00 0.00 C ATOM 1039 C VAL A 70 6.993 -4.914 -19.586 1.00 0.00 C ATOM 1040 O VAL A 70 7.918 -4.682 -18.807 1.00 0.00 O ATOM 1041 CB VAL A 70 5.267 -3.113 -19.498 1.00 0.00 C ATOM 1042 CG1 VAL A 70 6.221 -2.223 -18.717 1.00 0.00 C ATOM 1043 CG2 VAL A 70 5.367 -2.837 -20.991 1.00 0.00 C ATOM 0 H VAL A 70 5.828 -4.366 -17.140 1.00 0.00 H new ATOM 0 HA VAL A 70 4.878 -5.215 -19.802 1.00 0.00 H new ATOM 0 HB VAL A 70 4.251 -2.884 -19.177 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.005 -1.177 -18.937 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.095 -2.403 -17.649 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.248 -2.450 -19.004 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.164 -1.783 -21.181 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.370 -3.081 -21.340 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.639 -3.449 -21.524 1.00 0.00 H new ATOM 1053 N THR A 71 7.178 -5.444 -20.791 1.00 0.00 N ATOM 1054 CA THR A 71 8.508 -5.792 -21.276 1.00 0.00 C ATOM 1055 C THR A 71 8.789 -5.139 -22.625 1.00 0.00 C ATOM 1056 O THR A 71 7.868 -4.851 -23.390 1.00 0.00 O ATOM 1057 CB THR A 71 8.675 -7.317 -21.412 1.00 0.00 C ATOM 1058 OG1 THR A 71 9.755 -7.614 -22.304 1.00 0.00 O ATOM 1059 CG2 THR A 71 7.395 -7.958 -21.927 1.00 0.00 C ATOM 0 H THR A 71 6.424 -5.642 -21.449 1.00 0.00 H new ATOM 0 HA THR A 71 9.221 -5.420 -20.540 1.00 0.00 H new ATOM 0 HB THR A 71 8.896 -7.725 -20.426 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.856 -8.586 -22.384 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.537 -9.035 -22.015 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.581 -7.755 -21.231 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.148 -7.544 -22.905 1.00 0.00 H new ATOM 1067 N ASP A 72 10.066 -4.910 -22.911 1.00 0.00 N ATOM 1068 CA ASP A 72 10.468 -4.292 -24.169 1.00 0.00 C ATOM 1069 C ASP A 72 11.555 -5.115 -24.855 1.00 0.00 C ATOM 1070 O ASP A 72 12.392 -5.731 -24.194 1.00 0.00 O ATOM 1071 CB ASP A 72 10.967 -2.867 -23.926 1.00 0.00 C ATOM 1072 CG ASP A 72 12.073 -2.810 -22.890 1.00 0.00 C ATOM 1073 OD1 ASP A 72 12.897 -3.747 -22.849 1.00 0.00 O ATOM 1074 OD2 ASP A 72 12.114 -1.827 -22.122 1.00 0.00 O ATOM 0 H ASP A 72 10.840 -5.143 -22.289 1.00 0.00 H new ATOM 0 HA ASP A 72 9.597 -4.256 -24.823 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.330 -2.447 -24.864 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.134 -2.244 -23.599 1.00 0.00 H new ATOM 1079 N HIS A 73 11.535 -5.122 -26.184 1.00 0.00 N ATOM 1080 CA HIS A 73 12.518 -5.870 -26.960 1.00 0.00 C ATOM 1081 C HIS A 73 13.856 -5.137 -26.992 1.00 0.00 C ATOM 1082 O HIS A 73 14.912 -5.745 -26.822 1.00 0.00 O ATOM 1083 CB HIS A 73 12.012 -6.093 -28.385 1.00 0.00 C ATOM 1084 CG HIS A 73 11.354 -4.888 -28.983 1.00 0.00 C ATOM 1085 ND1 HIS A 73 11.883 -3.748 -29.486 1.00 0.00 N flip ATOM 1086 CD2 HIS A 73 9.987 -4.763 -29.112 1.00 0.00 C flip ATOM 1087 CE1 HIS A 73 10.837 -2.964 -29.907 1.00 0.00 C flip ATOM 1088 NE2 HIS A 73 9.704 -3.600 -29.671 1.00 0.00 N flip ATOM 0 H HIS A 73 10.849 -4.618 -26.746 1.00 0.00 H new ATOM 0 HA HIS A 73 12.664 -6.837 -26.479 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.849 -6.390 -29.017 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.303 -6.921 -28.385 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.261 -5.501 -28.804 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.926 -1.987 -30.358 1.00 0.00 H new ATOM 0 HE2 HIS A 73 8.769 -3.252 -29.884 1.00 0.00 H new ATOM 1097 N ASN A 74 13.803 -3.827 -27.211 1.00 0.00 N ATOM 1098 CA ASN A 74 15.011 -3.011 -27.266 1.00 0.00 C ATOM 1099 C ASN A 74 14.679 -1.534 -27.076 1.00 0.00 C ATOM 1100 O ASN A 74 13.703 -1.030 -27.630 1.00 0.00 O ATOM 1101 CB ASN A 74 15.729 -3.217 -28.601 1.00 0.00 C ATOM 1102 CG ASN A 74 15.863 -4.682 -28.966 1.00 0.00 C ATOM 1103 OD1 ASN A 74 14.897 -5.321 -29.384 1.00 0.00 O ATOM 1104 ND2 ASN A 74 17.066 -5.223 -28.809 1.00 0.00 N ATOM 0 H ASN A 74 12.937 -3.308 -27.353 1.00 0.00 H new ATOM 0 HA ASN A 74 15.669 -3.324 -26.455 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.182 -2.698 -29.388 1.00 0.00 H new ATOM 0 HB3 ASN A 74 16.720 -2.766 -28.551 1.00 0.00 H new ATOM 0 HD21 ASN A 74 17.217 -6.205 -29.038 1.00 0.00 H new ATOM 0 HD22 ASN A 74 17.839 -4.656 -28.460 1.00 0.00 H new ATOM 1111 N GLY A 75 15.500 -0.846 -26.288 1.00 0.00 N ATOM 1112 CA GLY A 75 15.278 0.567 -26.039 1.00 0.00 C ATOM 1113 C GLY A 75 16.193 1.451 -26.862 1.00 0.00 C ATOM 1114 O GLY A 75 17.084 0.960 -27.554 1.00 0.00 O ATOM 0 H GLY A 75 16.314 -1.241 -25.818 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.240 0.814 -26.264 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.433 0.775 -24.980 1.00 0.00 H new ATOM 1118 N MET A 76 15.971 2.760 -26.789 1.00 0.00 N ATOM 1119 CA MET A 76 16.782 3.715 -27.535 1.00 0.00 C ATOM 1120 C MET A 76 16.793 5.075 -26.843 1.00 0.00 C ATOM 1121 O MET A 76 15.748 5.697 -26.662 1.00 0.00 O ATOM 1122 CB MET A 76 16.254 3.860 -28.963 1.00 0.00 C ATOM 1123 CG MET A 76 17.086 4.795 -29.826 1.00 0.00 C ATOM 1124 SD MET A 76 16.425 4.973 -31.494 1.00 0.00 S ATOM 1125 CE MET A 76 17.919 4.817 -32.469 1.00 0.00 C ATOM 0 H MET A 76 15.237 3.183 -26.221 1.00 0.00 H new ATOM 0 HA MET A 76 17.804 3.337 -27.571 1.00 0.00 H new ATOM 0 HB2 MET A 76 16.223 2.877 -29.432 1.00 0.00 H new ATOM 0 HB3 MET A 76 15.229 4.228 -28.927 1.00 0.00 H new ATOM 0 HG2 MET A 76 17.133 5.775 -29.352 1.00 0.00 H new ATOM 0 HG3 MET A 76 18.107 4.419 -29.882 1.00 0.00 H new ATOM 0 HE1 MET A 76 17.674 4.906 -33.527 1.00 0.00 H new ATOM 0 HE2 MET A 76 18.619 5.605 -32.191 1.00 0.00 H new ATOM 0 HE3 MET A 76 18.375 3.845 -32.283 1.00 0.00 H new ATOM 1135 N ALA A 77 17.982 5.529 -26.460 1.00 0.00 N ATOM 1136 CA ALA A 77 18.128 6.816 -25.791 1.00 0.00 C ATOM 1137 C ALA A 77 19.541 7.365 -25.959 1.00 0.00 C ATOM 1138 O ALA A 77 20.519 6.706 -25.607 1.00 0.00 O ATOM 1139 CB ALA A 77 17.784 6.685 -24.315 1.00 0.00 C ATOM 0 H ALA A 77 18.857 5.025 -26.601 1.00 0.00 H new ATOM 0 HA ALA A 77 17.435 7.519 -26.254 1.00 0.00 H new ATOM 0 HB1 ALA A 77 17.897 7.653 -23.828 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.754 6.344 -24.210 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.454 5.963 -23.848 1.00 0.00 H new ATOM 1145 N ALA A 78 19.640 8.574 -26.501 1.00 0.00 N ATOM 1146 CA ALA A 78 20.933 9.212 -26.715 1.00 0.00 C ATOM 1147 C ALA A 78 20.764 10.640 -27.221 1.00 0.00 C ATOM 1148 O ALA A 78 20.092 10.879 -28.224 1.00 0.00 O ATOM 1149 CB ALA A 78 21.767 8.398 -27.694 1.00 0.00 C ATOM 0 H ALA A 78 18.840 9.132 -26.800 1.00 0.00 H new ATOM 0 HA ALA A 78 21.453 9.253 -25.758 1.00 0.00 H new ATOM 0 HB1 ALA A 78 22.730 8.886 -27.845 1.00 0.00 H new ATOM 0 HB2 ALA A 78 21.926 7.397 -27.292 1.00 0.00 H new ATOM 0 HB3 ALA A 78 21.243 8.327 -28.647 1.00 0.00 H new ATOM 1155 N LYS A 79 21.378 11.588 -26.520 1.00 0.00 N ATOM 1156 CA LYS A 79 21.296 12.994 -26.898 1.00 0.00 C ATOM 1157 C LYS A 79 22.179 13.284 -28.108 1.00 0.00 C ATOM 1158 O LYS A 79 21.696 13.733 -29.147 1.00 0.00 O ATOM 1159 CB LYS A 79 21.712 13.883 -25.725 1.00 0.00 C ATOM 1160 CG LYS A 79 21.306 15.338 -25.890 1.00 0.00 C ATOM 1161 CD LYS A 79 22.086 16.245 -24.954 1.00 0.00 C ATOM 1162 CE LYS A 79 21.503 17.649 -24.923 1.00 0.00 C ATOM 1163 NZ LYS A 79 21.718 18.311 -23.607 1.00 0.00 N ATOM 0 H LYS A 79 21.938 11.408 -25.687 1.00 0.00 H new ATOM 0 HA LYS A 79 20.262 13.214 -27.164 1.00 0.00 H new ATOM 0 HB2 LYS A 79 21.269 13.492 -24.809 1.00 0.00 H new ATOM 0 HB3 LYS A 79 22.794 13.828 -25.604 1.00 0.00 H new ATOM 0 HG2 LYS A 79 21.473 15.648 -26.921 1.00 0.00 H new ATOM 0 HG3 LYS A 79 20.239 15.443 -25.694 1.00 0.00 H new ATOM 0 HD2 LYS A 79 22.078 15.825 -23.948 1.00 0.00 H new ATOM 0 HD3 LYS A 79 23.127 16.289 -25.273 1.00 0.00 H new ATOM 0 HE2 LYS A 79 21.960 18.249 -25.710 1.00 0.00 H new ATOM 0 HE3 LYS A 79 20.435 17.603 -25.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 21.306 19.266 -23.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 21.261 17.752 -22.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 22.738 18.378 -23.415 1.00 0.00 H new ATOM 1177 N SER A 80 23.475 13.023 -27.965 1.00 0.00 N ATOM 1178 CA SER A 80 24.426 13.259 -29.045 1.00 0.00 C ATOM 1179 C SER A 80 24.353 12.146 -30.086 1.00 0.00 C ATOM 1180 O SER A 80 24.597 10.979 -29.781 1.00 0.00 O ATOM 1181 CB SER A 80 25.847 13.361 -28.489 1.00 0.00 C ATOM 1182 OG SER A 80 26.128 14.678 -28.046 1.00 0.00 O ATOM 0 H SER A 80 23.890 12.648 -27.112 1.00 0.00 H new ATOM 0 HA SER A 80 24.164 14.201 -29.527 1.00 0.00 H new ATOM 0 HB2 SER A 80 25.968 12.662 -27.661 1.00 0.00 H new ATOM 0 HB3 SER A 80 26.563 13.072 -29.258 1.00 0.00 H new ATOM 0 HG SER A 80 27.042 14.717 -27.694 1.00 0.00 H new ATOM 1188 N GLY A 81 24.015 12.516 -31.317 1.00 0.00 N ATOM 1189 CA GLY A 81 23.915 11.537 -32.385 1.00 0.00 C ATOM 1190 C GLY A 81 24.844 11.846 -33.542 1.00 0.00 C ATOM 1191 O GLY A 81 25.832 12.566 -33.398 1.00 0.00 O ATOM 0 H GLY A 81 23.809 13.476 -31.594 1.00 0.00 H new ATOM 0 HA2 GLY A 81 24.148 10.548 -31.990 1.00 0.00 H new ATOM 0 HA3 GLY A 81 22.887 11.502 -32.747 1.00 0.00 H new ATOM 1195 N PRO A 82 24.530 11.292 -34.722 1.00 0.00 N ATOM 1196 CA PRO A 82 25.332 11.497 -35.932 1.00 0.00 C ATOM 1197 C PRO A 82 25.227 12.922 -36.463 1.00 0.00 C ATOM 1198 O PRO A 82 24.261 13.272 -37.141 1.00 0.00 O ATOM 1199 CB PRO A 82 24.726 10.508 -36.931 1.00 0.00 C ATOM 1200 CG PRO A 82 23.325 10.310 -36.466 1.00 0.00 C ATOM 1201 CD PRO A 82 23.367 10.422 -34.967 1.00 0.00 C ATOM 0 HA PRO A 82 26.395 11.341 -35.748 1.00 0.00 H new ATOM 0 HB2 PRO A 82 24.754 10.904 -37.946 1.00 0.00 H new ATOM 0 HB3 PRO A 82 25.277 9.567 -36.940 1.00 0.00 H new ATOM 0 HG2 PRO A 82 22.662 11.061 -36.895 1.00 0.00 H new ATOM 0 HG3 PRO A 82 22.945 9.336 -36.774 1.00 0.00 H new ATOM 0 HD2 PRO A 82 22.449 10.857 -34.571 1.00 0.00 H new ATOM 0 HD3 PRO A 82 23.488 9.447 -34.494 1.00 0.00 H new ATOM 1209 N SER A 83 26.226 13.741 -36.150 1.00 0.00 N ATOM 1210 CA SER A 83 26.244 15.130 -36.593 1.00 0.00 C ATOM 1211 C SER A 83 27.642 15.538 -37.046 1.00 0.00 C ATOM 1212 O SER A 83 28.597 14.771 -36.918 1.00 0.00 O ATOM 1213 CB SER A 83 25.771 16.052 -35.468 1.00 0.00 C ATOM 1214 OG SER A 83 24.397 15.848 -35.185 1.00 0.00 O ATOM 0 H SER A 83 27.034 13.466 -35.591 1.00 0.00 H new ATOM 0 HA SER A 83 25.565 15.224 -37.440 1.00 0.00 H new ATOM 0 HB2 SER A 83 26.362 15.868 -34.570 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.937 17.091 -35.751 1.00 0.00 H new ATOM 0 HG SER A 83 24.119 16.448 -34.461 1.00 0.00 H new ATOM 1220 N SER A 84 27.755 16.751 -37.578 1.00 0.00 N ATOM 1221 CA SER A 84 29.035 17.261 -38.054 1.00 0.00 C ATOM 1222 C SER A 84 28.911 18.717 -38.493 1.00 0.00 C ATOM 1223 O SER A 84 27.820 19.191 -38.808 1.00 0.00 O ATOM 1224 CB SER A 84 29.547 16.409 -39.217 1.00 0.00 C ATOM 1225 OG SER A 84 28.658 16.463 -40.320 1.00 0.00 O ATOM 0 H SER A 84 26.975 17.399 -37.690 1.00 0.00 H new ATOM 0 HA SER A 84 29.748 17.207 -37.231 1.00 0.00 H new ATOM 0 HB2 SER A 84 30.532 16.760 -39.523 1.00 0.00 H new ATOM 0 HB3 SER A 84 29.664 15.376 -38.891 1.00 0.00 H new ATOM 0 HG SER A 84 29.009 15.912 -41.050 1.00 0.00 H new ATOM 1231 N GLY A 85 30.038 19.422 -38.509 1.00 0.00 N ATOM 1232 CA GLY A 85 30.035 20.817 -38.909 1.00 0.00 C ATOM 1233 C GLY A 85 31.405 21.456 -38.796 1.00 0.00 C ATOM 1234 O GLY A 85 32.422 20.805 -39.034 1.00 0.00 O ATOM 0 H GLY A 85 30.953 19.052 -38.252 1.00 0.00 H new ATOM 0 HA2 GLY A 85 29.685 20.896 -39.938 1.00 0.00 H new ATOM 0 HA3 GLY A 85 29.328 21.368 -38.289 1.00 0.00 H new TER 1238 GLY A 85