USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 924 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 44 TYR OH : rot 165:sc= -0.914 USER MOD Set 1.2: A 89 THR OG1 : rot -170:sc= -0.0282 USER MOD Set 2.1: A 9 THR OG1 : rot 107:sc= 1.77 USER MOD Set 2.2: A 35 TYR OH : rot 37:sc= 1.11 USER MOD Set 3.1: A 12 GLN : amide:sc= -0.647 X(o=-0.53,f=-0.23) USER MOD Set 3.2: A 73 LYS NZ :NH3+ 172:sc= 0.121 (180deg=0) USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 25:sc= 0.293 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 167:sc=-0.00354 (180deg=-0.119) USER MOD Single : A 4 MET CE :methyl 167:sc= 0 (180deg=-0.114) USER MOD Single : A 7 SER OG : rot -170:sc= -1.02 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= -0.0216 (180deg=-0.234) USER MOD Single : A 18 GLN : amide:sc= -2.37 K(o=-2.4,f=-2.9) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 133:sc= -1.36 (180deg=-4.73!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -5.74! C(o=-5.7!,f=-13!) USER MOD Single : A 38 MET CE :methyl 142:sc= -0.0535 (180deg=-0.135) USER MOD Single : A 42 SER OG : rot 90:sc= 0.00249 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 179:sc= -0.884 USER MOD Single : A 49 SER OG : rot -158:sc= 0.365 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.308 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.133) USER MOD Single : A 66 SER OG : rot 130:sc= -1.23 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0535 USER MOD Single : A 68 HIS : no HE2:sc= -4.42! C(o=-4.4!,f=-7.9!) USER MOD Single : A 70 LYS NZ :NH3+ -147:sc= -0.0385 (180deg=-0.934) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.011) USER MOD Single : A 81 TYR OH : rot 99:sc= 1.3 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 86 THR OG1 : rot 180:sc=0.000932 USER MOD Single : A 87 SER OG : rot 180:sc= -0.574 USER MOD Single : A 92 LYS NZ :NH3+ -145:sc= -0.234 (180deg=-1.64!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0215 F(o=-1.1,f=-0.022) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 90:sc= 0.00416 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -160:sc= -0.76 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 21.277 -19.448 21.855 1.00 0.00 N ATOM 2 CA GLY A 0 20.635 -20.777 21.658 1.00 0.00 C ATOM 3 C GLY A 0 19.428 -20.708 20.745 1.00 0.00 C ATOM 4 O GLY A 0 19.438 -21.266 19.647 1.00 0.00 O ATOM 0 H1 GLY A 0 22.097 -19.549 22.487 1.00 0.00 H new ATOM 0 H2 GLY A 0 21.591 -19.075 20.937 1.00 0.00 H new ATOM 0 H3 GLY A 0 20.592 -18.791 22.280 1.00 0.00 H new ATOM 0 HA2 GLY A 0 21.364 -21.471 21.239 1.00 0.00 H new ATOM 0 HA3 GLY A 0 20.332 -21.178 22.625 1.00 0.00 H new ATOM 10 N SER A 1 18.385 -20.021 21.199 1.00 0.00 N ATOM 11 CA SER A 1 17.163 -19.879 20.414 1.00 0.00 C ATOM 12 C SER A 1 16.798 -18.408 20.238 1.00 0.00 C ATOM 13 O SER A 1 16.645 -17.675 21.215 1.00 0.00 O ATOM 14 CB SER A 1 16.010 -20.624 21.089 1.00 0.00 C ATOM 15 OG SER A 1 15.807 -20.161 22.412 1.00 0.00 O ATOM 0 H SER A 1 18.361 -19.554 22.106 1.00 0.00 H new ATOM 0 HA SER A 1 17.340 -20.312 19.429 1.00 0.00 H new ATOM 0 HB2 SER A 1 15.097 -20.489 20.509 1.00 0.00 H new ATOM 0 HB3 SER A 1 16.223 -21.693 21.103 1.00 0.00 H new ATOM 0 HG SER A 1 16.148 -19.246 22.494 1.00 0.00 H new ATOM 21 N MET A 2 16.660 -17.983 18.986 1.00 0.00 N ATOM 22 CA MET A 2 16.313 -16.600 18.684 1.00 0.00 C ATOM 23 C MET A 2 15.194 -16.533 17.649 1.00 0.00 C ATOM 24 O MET A 2 15.174 -17.306 16.691 1.00 0.00 O ATOM 25 CB MET A 2 17.541 -15.843 18.175 1.00 0.00 C ATOM 26 CG MET A 2 18.183 -16.475 16.951 1.00 0.00 C ATOM 27 SD MET A 2 19.960 -16.180 16.870 1.00 0.00 S ATOM 28 CE MET A 2 20.092 -15.330 15.299 1.00 0.00 C ATOM 0 H MET A 2 16.783 -18.576 18.165 1.00 0.00 H new ATOM 0 HA MET A 2 15.962 -16.131 19.603 1.00 0.00 H new ATOM 0 HB2 MET A 2 17.253 -14.819 17.936 1.00 0.00 H new ATOM 0 HB3 MET A 2 18.280 -15.787 18.974 1.00 0.00 H new ATOM 0 HG2 MET A 2 17.997 -17.549 16.961 1.00 0.00 H new ATOM 0 HG3 MET A 2 17.711 -16.078 16.052 1.00 0.00 H new ATOM 0 HE1 MET A 2 21.135 -15.080 15.107 1.00 0.00 H new ATOM 0 HE2 MET A 2 19.721 -15.976 14.503 1.00 0.00 H new ATOM 0 HE3 MET A 2 19.500 -14.415 15.329 1.00 0.00 H new ATOM 38 N MET A 3 14.263 -15.607 17.850 1.00 0.00 N ATOM 39 CA MET A 3 13.141 -15.440 16.935 1.00 0.00 C ATOM 40 C MET A 3 12.770 -13.967 16.791 1.00 0.00 C ATOM 41 O MET A 3 13.405 -13.095 17.384 1.00 0.00 O ATOM 42 CB MET A 3 11.932 -16.236 17.428 1.00 0.00 C ATOM 43 CG MET A 3 12.044 -17.730 17.176 1.00 0.00 C ATOM 44 SD MET A 3 11.294 -18.229 15.614 1.00 0.00 S ATOM 45 CE MET A 3 12.751 -18.457 14.597 1.00 0.00 C ATOM 0 H MET A 3 14.264 -14.960 18.639 1.00 0.00 H new ATOM 0 HA MET A 3 13.442 -15.817 15.958 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.806 -16.065 18.497 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.035 -15.859 16.937 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.096 -18.017 17.178 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.565 -18.269 17.993 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.477 -18.982 13.682 1.00 0.00 H new ATOM 0 HE2 MET A 3 13.174 -17.485 14.345 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.489 -19.043 15.145 1.00 0.00 H new ATOM 55 N MET A 4 11.737 -13.697 15.999 1.00 0.00 N ATOM 56 CA MET A 4 11.280 -12.330 15.776 1.00 0.00 C ATOM 57 C MET A 4 12.365 -11.498 15.100 1.00 0.00 C ATOM 58 O MET A 4 13.448 -11.304 15.653 1.00 0.00 O ATOM 59 CB MET A 4 10.870 -11.683 17.102 1.00 0.00 C ATOM 60 CG MET A 4 9.420 -11.232 17.135 1.00 0.00 C ATOM 61 SD MET A 4 8.268 -12.606 17.331 1.00 0.00 S ATOM 62 CE MET A 4 8.464 -12.965 19.075 1.00 0.00 C ATOM 0 H MET A 4 11.200 -14.407 15.501 1.00 0.00 H new ATOM 0 HA MET A 4 10.413 -12.365 15.117 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.039 -12.393 17.911 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.514 -10.824 17.292 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.282 -10.527 17.955 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.189 -10.698 16.213 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.662 -13.627 19.403 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.426 -13.450 19.241 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.423 -12.036 19.644 1.00 0.00 H new ATOM 72 N ALA A 5 12.068 -11.008 13.901 1.00 0.00 N ATOM 73 CA ALA A 5 13.016 -10.197 13.149 1.00 0.00 C ATOM 74 C ALA A 5 12.367 -9.610 11.900 1.00 0.00 C ATOM 75 O ALA A 5 11.772 -10.332 11.100 1.00 0.00 O ATOM 76 CB ALA A 5 14.236 -11.024 12.772 1.00 0.00 C ATOM 0 H ALA A 5 11.176 -11.159 13.429 1.00 0.00 H new ATOM 0 HA ALA A 5 13.333 -9.371 13.785 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.936 -10.405 12.210 1.00 0.00 H new ATOM 0 HB2 ALA A 5 14.721 -11.390 13.677 1.00 0.00 H new ATOM 0 HB3 ALA A 5 13.927 -11.870 12.158 1.00 0.00 H new ATOM 82 N LEU A 6 12.484 -8.295 11.740 1.00 0.00 N ATOM 83 CA LEU A 6 11.906 -7.613 10.588 1.00 0.00 C ATOM 84 C LEU A 6 12.810 -6.477 10.118 1.00 0.00 C ATOM 85 O LEU A 6 13.822 -6.174 10.749 1.00 0.00 O ATOM 86 CB LEU A 6 10.520 -7.066 10.935 1.00 0.00 C ATOM 87 CG LEU A 6 9.488 -8.123 11.330 1.00 0.00 C ATOM 88 CD1 LEU A 6 8.403 -7.509 12.202 1.00 0.00 C ATOM 89 CD2 LEU A 6 8.879 -8.763 10.091 1.00 0.00 C ATOM 0 H LEU A 6 12.973 -7.682 12.392 1.00 0.00 H new ATOM 0 HA LEU A 6 11.811 -8.337 9.779 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.621 -6.355 11.755 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.140 -6.511 10.077 1.00 0.00 H new ATOM 0 HG LEU A 6 9.993 -8.899 11.905 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.677 -8.276 12.474 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.852 -7.098 13.106 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.901 -6.713 11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.147 -9.513 10.391 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.389 -7.997 9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.665 -9.238 9.503 1.00 0.00 H new ATOM 101 N SER A 7 12.434 -5.851 9.007 1.00 0.00 N ATOM 102 CA SER A 7 13.208 -4.747 8.451 1.00 0.00 C ATOM 103 C SER A 7 13.120 -3.516 9.348 1.00 0.00 C ATOM 104 O SER A 7 12.669 -3.598 10.489 1.00 0.00 O ATOM 105 CB SER A 7 12.710 -4.404 7.047 1.00 0.00 C ATOM 106 OG SER A 7 13.769 -3.934 6.231 1.00 0.00 O ATOM 0 H SER A 7 11.598 -6.090 8.474 1.00 0.00 H new ATOM 0 HA SER A 7 14.251 -5.060 8.393 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.260 -5.286 6.592 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.930 -3.645 7.110 1.00 0.00 H new ATOM 0 HG SER A 7 13.404 -3.574 5.396 1.00 0.00 H new ATOM 112 N LYS A 8 13.552 -2.375 8.820 1.00 0.00 N ATOM 113 CA LYS A 8 13.519 -1.127 9.572 1.00 0.00 C ATOM 114 C LYS A 8 12.228 -0.363 9.302 1.00 0.00 C ATOM 115 O LYS A 8 12.044 0.207 8.226 1.00 0.00 O ATOM 116 CB LYS A 8 14.724 -0.256 9.217 1.00 0.00 C ATOM 117 CG LYS A 8 16.059 -0.893 9.564 1.00 0.00 C ATOM 118 CD LYS A 8 16.497 -1.886 8.500 1.00 0.00 C ATOM 119 CE LYS A 8 17.931 -2.340 8.718 1.00 0.00 C ATOM 120 NZ LYS A 8 18.034 -3.361 9.796 1.00 0.00 N ATOM 0 H LYS A 8 13.928 -2.290 7.876 1.00 0.00 H new ATOM 0 HA LYS A 8 13.560 -1.373 10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.702 -0.038 8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.639 0.697 9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 8 16.816 -0.117 9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 8 15.982 -1.400 10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.834 -2.751 8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.405 -1.429 7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.326 -2.752 7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.549 -1.479 8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.028 -3.644 9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.681 -2.960 10.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.465 -4.193 9.541 1.00 0.00 H new ATOM 134 N THR A 9 11.339 -0.357 10.286 1.00 0.00 N ATOM 135 CA THR A 9 10.062 0.337 10.165 1.00 0.00 C ATOM 136 C THR A 9 9.787 1.168 11.414 1.00 0.00 C ATOM 137 O THR A 9 10.444 0.993 12.439 1.00 0.00 O ATOM 138 CB THR A 9 8.929 -0.665 9.941 1.00 0.00 C ATOM 139 OG1 THR A 9 8.540 -1.264 11.166 1.00 0.00 O ATOM 140 CG2 THR A 9 9.288 -1.780 8.980 1.00 0.00 C ATOM 0 H THR A 9 11.479 -0.827 11.181 1.00 0.00 H new ATOM 0 HA THR A 9 10.114 1.005 9.305 1.00 0.00 H new ATOM 0 HB THR A 9 8.116 -0.084 9.506 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.674 -0.901 11.447 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.438 -2.453 8.869 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.544 -1.355 8.009 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.141 -2.335 9.369 1.00 0.00 H new ATOM 148 N PHE A 10 8.824 2.082 11.324 1.00 0.00 N ATOM 149 CA PHE A 10 8.493 2.939 12.461 1.00 0.00 C ATOM 150 C PHE A 10 6.989 3.109 12.621 1.00 0.00 C ATOM 151 O PHE A 10 6.308 3.540 11.695 1.00 0.00 O ATOM 152 CB PHE A 10 9.115 4.323 12.271 1.00 0.00 C ATOM 153 CG PHE A 10 10.184 4.375 11.216 1.00 0.00 C ATOM 154 CD1 PHE A 10 9.989 5.102 10.053 1.00 0.00 C ATOM 155 CD2 PHE A 10 11.379 3.694 11.385 1.00 0.00 C ATOM 156 CE1 PHE A 10 10.964 5.149 9.076 1.00 0.00 C ATOM 157 CE2 PHE A 10 12.360 3.738 10.411 1.00 0.00 C ATOM 158 CZ PHE A 10 12.152 4.466 9.255 1.00 0.00 C ATOM 0 H PHE A 10 8.265 2.248 10.487 1.00 0.00 H new ATOM 0 HA PHE A 10 8.891 2.457 13.354 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.328 5.031 12.011 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.539 4.652 13.220 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.063 5.639 9.909 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.546 3.123 12.286 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.798 5.719 8.174 1.00 0.00 H new ATOM 0 HE2 PHE A 10 13.288 3.204 10.554 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.916 4.501 8.493 1.00 0.00 H new ATOM 168 N GLY A 11 6.480 2.820 13.814 1.00 0.00 N ATOM 169 CA GLY A 11 5.063 3.002 14.060 1.00 0.00 C ATOM 170 C GLY A 11 4.254 1.738 13.861 1.00 0.00 C ATOM 171 O GLY A 11 4.803 0.655 13.663 1.00 0.00 O ATOM 0 H GLY A 11 7.017 2.467 14.606 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.921 3.359 15.080 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.682 3.777 13.395 1.00 0.00 H new ATOM 175 N GLN A 12 2.937 1.893 13.893 1.00 0.00 N ATOM 176 CA GLN A 12 2.019 0.783 13.687 1.00 0.00 C ATOM 177 C GLN A 12 2.069 0.335 12.230 1.00 0.00 C ATOM 178 O GLN A 12 2.461 1.104 11.352 1.00 0.00 O ATOM 179 CB GLN A 12 0.593 1.190 14.066 1.00 0.00 C ATOM 180 CG GLN A 12 0.162 0.691 15.436 1.00 0.00 C ATOM 181 CD GLN A 12 -1.327 0.415 15.514 1.00 0.00 C ATOM 182 OE1 GLN A 12 -1.779 -0.696 15.235 1.00 0.00 O ATOM 183 NE2 GLN A 12 -2.098 1.428 15.893 1.00 0.00 N ATOM 0 H GLN A 12 2.478 2.788 14.062 1.00 0.00 H new ATOM 0 HA GLN A 12 2.321 -0.047 14.326 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.516 2.277 14.044 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.097 0.806 13.315 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.710 -0.220 15.676 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.430 1.432 16.189 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.680 2.332 16.115 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.108 1.302 15.962 1.00 0.00 H new ATOM 192 N LYS A 13 1.684 -0.908 11.973 1.00 0.00 N ATOM 193 CA LYS A 13 1.703 -1.439 10.615 1.00 0.00 C ATOM 194 C LYS A 13 0.640 -0.742 9.769 1.00 0.00 C ATOM 195 O LYS A 13 -0.438 -0.411 10.263 1.00 0.00 O ATOM 196 CB LYS A 13 1.449 -2.954 10.643 1.00 0.00 C ATOM 197 CG LYS A 13 1.214 -3.581 9.272 1.00 0.00 C ATOM 198 CD LYS A 13 2.467 -4.268 8.753 1.00 0.00 C ATOM 199 CE LYS A 13 2.144 -5.613 8.120 1.00 0.00 C ATOM 200 NZ LYS A 13 2.351 -6.738 9.072 1.00 0.00 N ATOM 0 H LYS A 13 1.357 -1.565 12.682 1.00 0.00 H new ATOM 0 HA LYS A 13 2.682 -1.254 10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.302 -3.444 11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.582 -3.153 11.273 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.401 -4.304 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.901 -2.811 8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.957 -3.628 8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.171 -4.410 9.573 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.110 -5.614 7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.772 -5.761 7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.120 -7.637 8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.344 -6.753 9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.734 -6.611 9.899 1.00 0.00 H new ATOM 214 N PRO A 14 0.935 -0.490 8.479 1.00 0.00 N ATOM 215 CA PRO A 14 -0.001 0.190 7.581 1.00 0.00 C ATOM 216 C PRO A 14 -1.311 -0.570 7.444 1.00 0.00 C ATOM 217 O PRO A 14 -1.372 -1.775 7.693 1.00 0.00 O ATOM 218 CB PRO A 14 0.739 0.230 6.239 1.00 0.00 C ATOM 219 CG PRO A 14 2.177 0.050 6.583 1.00 0.00 C ATOM 220 CD PRO A 14 2.202 -0.823 7.804 1.00 0.00 C ATOM 0 HA PRO A 14 -0.275 1.178 7.952 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.391 -0.560 5.573 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.572 1.177 5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.720 -0.414 5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.655 1.010 6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.254 -1.880 7.543 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.064 -0.608 8.436 1.00 0.00 H new ATOM 228 N VAL A 15 -2.364 0.145 7.069 1.00 0.00 N ATOM 229 CA VAL A 15 -3.679 -0.459 6.924 1.00 0.00 C ATOM 230 C VAL A 15 -3.766 -1.347 5.686 1.00 0.00 C ATOM 231 O VAL A 15 -3.600 -0.883 4.550 1.00 0.00 O ATOM 232 CB VAL A 15 -4.786 0.611 6.864 1.00 0.00 C ATOM 233 CG1 VAL A 15 -4.738 1.499 8.099 1.00 0.00 C ATOM 234 CG2 VAL A 15 -4.670 1.440 5.594 1.00 0.00 C ATOM 0 H VAL A 15 -2.332 1.143 6.860 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.830 -1.080 7.807 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.751 0.104 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.527 2.249 8.039 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.883 0.890 8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.769 1.996 8.153 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.462 2.188 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.700 1.937 5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.764 0.789 4.725 1.00 0.00 H new ATOM 244 N LYS A 16 -4.045 -2.626 5.926 1.00 0.00 N ATOM 245 CA LYS A 16 -4.184 -3.607 4.859 1.00 0.00 C ATOM 246 C LYS A 16 -5.630 -4.086 4.785 1.00 0.00 C ATOM 247 O LYS A 16 -6.355 -4.041 5.779 1.00 0.00 O ATOM 248 CB LYS A 16 -3.251 -4.799 5.095 1.00 0.00 C ATOM 249 CG LYS A 16 -3.382 -5.419 6.477 1.00 0.00 C ATOM 250 CD LYS A 16 -3.089 -6.910 6.447 1.00 0.00 C ATOM 251 CE LYS A 16 -1.823 -7.249 7.218 1.00 0.00 C ATOM 252 NZ LYS A 16 -1.959 -6.949 8.670 1.00 0.00 N ATOM 0 H LYS A 16 -4.180 -3.008 6.862 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.910 -3.136 3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.455 -5.562 4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.220 -4.476 4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.695 -4.926 7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.390 -5.252 6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.931 -7.455 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.985 -7.240 5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.590 -8.306 7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.986 -6.684 6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.268 -7.511 9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.784 -5.937 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.920 -7.189 8.986 1.00 0.00 H new ATOM 266 N PHE A 17 -6.051 -4.540 3.611 1.00 0.00 N ATOM 267 CA PHE A 17 -7.419 -5.016 3.436 1.00 0.00 C ATOM 268 C PHE A 17 -7.510 -6.030 2.304 1.00 0.00 C ATOM 269 O PHE A 17 -6.562 -6.211 1.543 1.00 0.00 O ATOM 270 CB PHE A 17 -8.359 -3.843 3.157 1.00 0.00 C ATOM 271 CG PHE A 17 -7.839 -2.890 2.118 1.00 0.00 C ATOM 272 CD1 PHE A 17 -7.172 -1.736 2.494 1.00 0.00 C ATOM 273 CD2 PHE A 17 -8.017 -3.149 0.768 1.00 0.00 C ATOM 274 CE1 PHE A 17 -6.693 -0.857 1.543 1.00 0.00 C ATOM 275 CE2 PHE A 17 -7.540 -2.273 -0.188 1.00 0.00 C ATOM 276 CZ PHE A 17 -6.876 -1.125 0.200 1.00 0.00 C ATOM 0 H PHE A 17 -5.472 -4.589 2.773 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.721 -5.507 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.324 -4.231 2.832 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.531 -3.297 4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.025 -1.521 3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.534 -4.046 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.175 0.040 1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.686 -2.485 -1.237 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.501 -0.439 -0.545 1.00 0.00 H new ATOM 286 N GLN A 18 -8.658 -6.690 2.200 1.00 0.00 N ATOM 287 CA GLN A 18 -8.872 -7.687 1.161 1.00 0.00 C ATOM 288 C GLN A 18 -9.730 -7.121 0.036 1.00 0.00 C ATOM 289 O GLN A 18 -10.809 -6.579 0.275 1.00 0.00 O ATOM 290 CB GLN A 18 -9.541 -8.931 1.750 1.00 0.00 C ATOM 291 CG GLN A 18 -9.072 -10.228 1.117 1.00 0.00 C ATOM 292 CD GLN A 18 -10.215 -11.179 0.823 1.00 0.00 C ATOM 293 OE1 GLN A 18 -11.287 -10.765 0.383 1.00 0.00 O ATOM 294 NE2 GLN A 18 -9.990 -12.464 1.067 1.00 0.00 N ATOM 0 H GLN A 18 -9.454 -6.552 2.823 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.901 -7.964 0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.344 -8.967 2.821 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.621 -8.846 1.627 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.542 -10.005 0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.360 -10.716 1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.086 -12.763 1.432 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.721 -13.152 0.890 1.00 0.00 H new ATOM 303 N LEU A 19 -9.242 -7.249 -1.194 1.00 0.00 N ATOM 304 CA LEU A 19 -9.961 -6.749 -2.358 1.00 0.00 C ATOM 305 C LEU A 19 -10.599 -7.893 -3.138 1.00 0.00 C ATOM 306 O LEU A 19 -11.645 -7.723 -3.765 1.00 0.00 O ATOM 307 CB LEU A 19 -9.018 -5.960 -3.267 1.00 0.00 C ATOM 308 CG LEU A 19 -8.526 -4.629 -2.694 1.00 0.00 C ATOM 309 CD1 LEU A 19 -7.681 -3.885 -3.720 1.00 0.00 C ATOM 310 CD2 LEU A 19 -9.703 -3.776 -2.246 1.00 0.00 C ATOM 0 H LEU A 19 -8.350 -7.695 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.753 -6.088 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.152 -6.582 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.527 -5.765 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.902 -4.836 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.340 -2.941 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.818 -4.494 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.279 -3.687 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.336 -2.833 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.353 -3.576 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.265 -4.306 -1.477 1.00 0.00 H new ATOM 322 N GLU A 20 -9.963 -9.061 -3.099 1.00 0.00 N ATOM 323 CA GLU A 20 -10.471 -10.232 -3.805 1.00 0.00 C ATOM 324 C GLU A 20 -10.782 -11.367 -2.833 1.00 0.00 C ATOM 325 O GLU A 20 -10.078 -11.562 -1.843 1.00 0.00 O ATOM 326 CB GLU A 20 -9.460 -10.706 -4.851 1.00 0.00 C ATOM 327 CG GLU A 20 -8.842 -9.575 -5.656 1.00 0.00 C ATOM 328 CD GLU A 20 -9.766 -9.059 -6.741 1.00 0.00 C ATOM 329 OE1 GLU A 20 -10.330 -7.958 -6.567 1.00 0.00 O ATOM 330 OE2 GLU A 20 -9.925 -9.755 -7.767 1.00 0.00 O ATOM 0 H GLU A 20 -9.096 -9.221 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.395 -9.944 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.666 -11.261 -4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.953 -11.399 -5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.583 -8.756 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.913 -9.922 -6.109 1.00 0.00 H new ATOM 337 N ASP A 21 -11.841 -12.111 -3.130 1.00 0.00 N ATOM 338 CA ASP A 21 -12.261 -13.232 -2.295 1.00 0.00 C ATOM 339 C ASP A 21 -11.238 -14.368 -2.314 1.00 0.00 C ATOM 340 O ASP A 21 -11.323 -15.301 -1.516 1.00 0.00 O ATOM 341 CB ASP A 21 -13.623 -13.753 -2.760 1.00 0.00 C ATOM 342 CG ASP A 21 -14.760 -12.831 -2.366 1.00 0.00 C ATOM 343 OD1 ASP A 21 -15.249 -12.947 -1.223 1.00 0.00 O ATOM 344 OD2 ASP A 21 -15.161 -11.994 -3.202 1.00 0.00 O ATOM 0 H ASP A 21 -12.429 -11.957 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.338 -12.868 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.613 -13.871 -3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.796 -14.741 -2.334 1.00 0.00 H new ATOM 349 N ASP A 22 -10.281 -14.297 -3.236 1.00 0.00 N ATOM 350 CA ASP A 22 -9.263 -15.335 -3.360 1.00 0.00 C ATOM 351 C ASP A 22 -8.137 -15.154 -2.340 1.00 0.00 C ATOM 352 O ASP A 22 -7.212 -15.964 -2.282 1.00 0.00 O ATOM 353 CB ASP A 22 -8.684 -15.338 -4.777 1.00 0.00 C ATOM 354 CG ASP A 22 -8.638 -16.728 -5.380 1.00 0.00 C ATOM 355 OD1 ASP A 22 -7.546 -17.334 -5.394 1.00 0.00 O ATOM 356 OD2 ASP A 22 -9.695 -17.212 -5.838 1.00 0.00 O ATOM 0 H ASP A 22 -10.190 -13.533 -3.906 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.745 -16.292 -3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.285 -14.689 -5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.677 -14.921 -4.756 1.00 0.00 H new ATOM 361 N GLY A 23 -8.222 -14.103 -1.529 1.00 0.00 N ATOM 362 CA GLY A 23 -7.202 -13.867 -0.523 1.00 0.00 C ATOM 363 C GLY A 23 -6.226 -12.771 -0.905 1.00 0.00 C ATOM 364 O GLY A 23 -5.087 -12.760 -0.439 1.00 0.00 O ATOM 0 H GLY A 23 -8.974 -13.415 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.684 -13.603 0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.651 -14.791 -0.351 1.00 0.00 H new ATOM 368 N GLU A 24 -6.667 -11.842 -1.746 1.00 0.00 N ATOM 369 CA GLU A 24 -5.813 -10.740 -2.173 1.00 0.00 C ATOM 370 C GLU A 24 -5.841 -9.612 -1.150 1.00 0.00 C ATOM 371 O GLU A 24 -6.885 -9.008 -0.907 1.00 0.00 O ATOM 372 CB GLU A 24 -6.258 -10.212 -3.538 1.00 0.00 C ATOM 373 CG GLU A 24 -5.903 -11.131 -4.695 1.00 0.00 C ATOM 374 CD GLU A 24 -4.436 -11.514 -4.709 1.00 0.00 C ATOM 375 OE1 GLU A 24 -3.592 -10.622 -4.937 1.00 0.00 O ATOM 376 OE2 GLU A 24 -4.131 -12.706 -4.491 1.00 0.00 O ATOM 0 H GLU A 24 -7.606 -11.830 -2.144 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.793 -11.116 -2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.337 -10.060 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.801 -9.237 -3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.510 -12.035 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.155 -10.639 -5.635 1.00 0.00 H new ATOM 383 N PHE A 25 -4.689 -9.333 -0.550 1.00 0.00 N ATOM 384 CA PHE A 25 -4.589 -8.278 0.448 1.00 0.00 C ATOM 385 C PHE A 25 -3.748 -7.116 -0.064 1.00 0.00 C ATOM 386 O PHE A 25 -2.667 -7.312 -0.617 1.00 0.00 O ATOM 387 CB PHE A 25 -3.987 -8.825 1.744 1.00 0.00 C ATOM 388 CG PHE A 25 -5.018 -9.262 2.746 1.00 0.00 C ATOM 389 CD1 PHE A 25 -5.342 -8.459 3.832 1.00 0.00 C ATOM 390 CD2 PHE A 25 -5.664 -10.479 2.601 1.00 0.00 C ATOM 391 CE1 PHE A 25 -6.291 -8.865 4.750 1.00 0.00 C ATOM 392 CE2 PHE A 25 -6.614 -10.888 3.517 1.00 0.00 C ATOM 393 CZ PHE A 25 -6.928 -10.082 4.593 1.00 0.00 C ATOM 0 H PHE A 25 -3.814 -9.822 -0.738 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.596 -7.911 0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.341 -9.670 1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.356 -8.058 2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.847 -7.508 3.960 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.422 -11.115 1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.535 -8.232 5.590 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.111 -11.839 3.391 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.669 -10.401 5.310 1.00 0.00 H new ATOM 403 N TYR A 26 -4.252 -5.904 0.134 1.00 0.00 N ATOM 404 CA TYR A 26 -3.552 -4.702 -0.293 1.00 0.00 C ATOM 405 C TYR A 26 -3.337 -3.763 0.882 1.00 0.00 C ATOM 406 O TYR A 26 -3.934 -3.933 1.944 1.00 0.00 O ATOM 407 CB TYR A 26 -4.324 -3.981 -1.395 1.00 0.00 C ATOM 408 CG TYR A 26 -4.374 -4.744 -2.700 1.00 0.00 C ATOM 409 CD1 TYR A 26 -3.509 -4.428 -3.738 1.00 0.00 C ATOM 410 CD2 TYR A 26 -5.279 -5.781 -2.890 1.00 0.00 C ATOM 411 CE1 TYR A 26 -3.544 -5.121 -4.932 1.00 0.00 C ATOM 412 CE2 TYR A 26 -5.321 -6.480 -4.083 1.00 0.00 C ATOM 413 CZ TYR A 26 -4.452 -6.145 -5.100 1.00 0.00 C ATOM 414 OH TYR A 26 -4.489 -6.838 -6.288 1.00 0.00 O ATOM 0 H TYR A 26 -5.147 -5.729 0.590 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.583 -5.005 -0.689 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.342 -3.797 -1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.866 -3.008 -1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.796 -3.627 -3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.960 -6.045 -2.094 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.864 -4.862 -5.730 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.030 -7.283 -4.217 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.184 -7.528 -6.243 1.00 0.00 H new ATOM 424 N MET A 27 -2.483 -2.774 0.680 1.00 0.00 N ATOM 425 CA MET A 27 -2.176 -1.797 1.717 1.00 0.00 C ATOM 426 C MET A 27 -2.208 -0.386 1.147 1.00 0.00 C ATOM 427 O MET A 27 -1.820 -0.165 -0.001 1.00 0.00 O ATOM 428 CB MET A 27 -0.800 -2.081 2.321 1.00 0.00 C ATOM 429 CG MET A 27 -0.756 -3.338 3.171 1.00 0.00 C ATOM 430 SD MET A 27 -0.078 -3.043 4.816 1.00 0.00 S ATOM 431 CE MET A 27 1.289 -4.197 4.827 1.00 0.00 C ATOM 0 H MET A 27 -1.986 -2.624 -0.198 1.00 0.00 H new ATOM 0 HA MET A 27 -2.932 -1.877 2.499 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.071 -2.171 1.516 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.498 -1.230 2.931 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.763 -3.743 3.265 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.155 -4.093 2.665 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.184 -3.697 5.198 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.049 -5.040 5.475 1.00 0.00 H new ATOM 0 HE3 MET A 27 1.468 -4.558 3.814 1.00 0.00 H new ATOM 441 N ILE A 28 -2.670 0.570 1.948 1.00 0.00 N ATOM 442 CA ILE A 28 -2.737 1.956 1.493 1.00 0.00 C ATOM 443 C ILE A 28 -1.350 2.594 1.477 1.00 0.00 C ATOM 444 O ILE A 28 -0.677 2.679 2.508 1.00 0.00 O ATOM 445 CB ILE A 28 -3.685 2.807 2.358 1.00 0.00 C ATOM 446 CG1 ILE A 28 -5.019 2.084 2.549 1.00 0.00 C ATOM 447 CG2 ILE A 28 -3.908 4.164 1.708 1.00 0.00 C ATOM 448 CD1 ILE A 28 -6.051 2.898 3.301 1.00 0.00 C ATOM 0 H ILE A 28 -2.999 0.415 2.901 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.135 1.931 0.479 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.229 2.958 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.421 1.818 1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.843 1.152 3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.580 4.758 2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.954 4.681 1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.351 4.027 0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.970 2.320 3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.670 3.142 4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.257 3.819 2.755 1.00 0.00 H new ATOM 460 N GLY A 29 -0.926 3.034 0.294 1.00 0.00 N ATOM 461 CA GLY A 29 0.385 3.643 0.148 1.00 0.00 C ATOM 462 C GLY A 29 0.602 4.808 1.090 1.00 0.00 C ATOM 463 O GLY A 29 1.733 5.085 1.488 1.00 0.00 O ATOM 0 H GLY A 29 -1.469 2.979 -0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.152 2.890 0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.509 3.985 -0.879 1.00 0.00 H new ATOM 467 N SER A 30 -0.478 5.484 1.460 1.00 0.00 N ATOM 468 CA SER A 30 -0.382 6.611 2.376 1.00 0.00 C ATOM 469 C SER A 30 0.141 6.141 3.728 1.00 0.00 C ATOM 470 O SER A 30 0.982 6.798 4.350 1.00 0.00 O ATOM 471 CB SER A 30 -1.746 7.282 2.544 1.00 0.00 C ATOM 472 OG SER A 30 -1.892 8.373 1.651 1.00 0.00 O ATOM 0 H SER A 30 -1.424 5.273 1.142 1.00 0.00 H new ATOM 0 HA SER A 30 0.314 7.340 1.960 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.537 6.554 2.366 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.859 7.631 3.570 1.00 0.00 H new ATOM 0 HG SER A 30 -2.773 8.784 1.777 1.00 0.00 H new ATOM 478 N GLU A 31 -0.351 4.986 4.170 1.00 0.00 N ATOM 479 CA GLU A 31 0.073 4.417 5.440 1.00 0.00 C ATOM 480 C GLU A 31 1.503 3.911 5.333 1.00 0.00 C ATOM 481 O GLU A 31 2.309 4.098 6.242 1.00 0.00 O ATOM 482 CB GLU A 31 -0.862 3.283 5.860 1.00 0.00 C ATOM 483 CG GLU A 31 -2.179 3.770 6.442 1.00 0.00 C ATOM 484 CD GLU A 31 -2.248 3.608 7.947 1.00 0.00 C ATOM 485 OE1 GLU A 31 -1.956 2.498 8.439 1.00 0.00 O ATOM 486 OE2 GLU A 31 -2.592 4.592 8.635 1.00 0.00 O ATOM 0 H GLU A 31 -1.042 4.429 3.667 1.00 0.00 H new ATOM 0 HA GLU A 31 0.031 5.196 6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.067 2.652 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.356 2.659 6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.318 4.821 6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.000 3.219 5.983 1.00 0.00 H new ATOM 493 N VAL A 32 1.811 3.282 4.207 1.00 0.00 N ATOM 494 CA VAL A 32 3.147 2.763 3.967 1.00 0.00 C ATOM 495 C VAL A 32 4.157 3.901 3.914 1.00 0.00 C ATOM 496 O VAL A 32 5.263 3.795 4.448 1.00 0.00 O ATOM 497 CB VAL A 32 3.216 1.962 2.654 1.00 0.00 C ATOM 498 CG1 VAL A 32 4.556 1.254 2.527 1.00 0.00 C ATOM 499 CG2 VAL A 32 2.069 0.965 2.575 1.00 0.00 C ATOM 0 H VAL A 32 1.152 3.120 3.446 1.00 0.00 H new ATOM 0 HA VAL A 32 3.389 2.095 4.793 1.00 0.00 H new ATOM 0 HB VAL A 32 3.120 2.659 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.584 0.694 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.359 1.991 2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.686 0.569 3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.135 0.408 1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.130 0.273 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.120 1.499 2.613 1.00 0.00 H new ATOM 509 N GLY A 33 3.764 4.994 3.270 1.00 0.00 N ATOM 510 CA GLY A 33 4.639 6.144 3.160 1.00 0.00 C ATOM 511 C GLY A 33 4.968 6.745 4.509 1.00 0.00 C ATOM 512 O GLY A 33 6.138 6.951 4.835 1.00 0.00 O ATOM 0 H GLY A 33 2.854 5.103 2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.562 5.849 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.165 6.900 2.534 1.00 0.00 H new ATOM 516 N ASN A 34 3.943 7.015 5.312 1.00 0.00 N ATOM 517 CA ASN A 34 4.164 7.579 6.638 1.00 0.00 C ATOM 518 C ASN A 34 4.923 6.583 7.508 1.00 0.00 C ATOM 519 O ASN A 34 5.725 6.967 8.361 1.00 0.00 O ATOM 520 CB ASN A 34 2.842 7.998 7.295 1.00 0.00 C ATOM 521 CG ASN A 34 1.941 6.830 7.660 1.00 0.00 C ATOM 522 OD1 ASN A 34 2.406 5.773 8.082 1.00 0.00 O ATOM 523 ND2 ASN A 34 0.637 7.024 7.506 1.00 0.00 N ATOM 0 H ASN A 34 2.965 6.855 5.072 1.00 0.00 H new ATOM 0 HA ASN A 34 4.769 8.480 6.533 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.061 8.571 8.196 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.305 8.661 6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.020 6.280 7.741 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.292 7.917 7.153 1.00 0.00 H new ATOM 530 N TYR A 35 4.665 5.299 7.278 1.00 0.00 N ATOM 531 CA TYR A 35 5.319 4.231 8.027 1.00 0.00 C ATOM 532 C TYR A 35 6.830 4.280 7.830 1.00 0.00 C ATOM 533 O TYR A 35 7.596 4.132 8.782 1.00 0.00 O ATOM 534 CB TYR A 35 4.772 2.879 7.563 1.00 0.00 C ATOM 535 CG TYR A 35 5.122 1.732 8.477 1.00 0.00 C ATOM 536 CD1 TYR A 35 5.386 0.468 7.968 1.00 0.00 C ATOM 537 CD2 TYR A 35 5.183 1.914 9.847 1.00 0.00 C ATOM 538 CE1 TYR A 35 5.704 -0.582 8.805 1.00 0.00 C ATOM 539 CE2 TYR A 35 5.503 0.875 10.691 1.00 0.00 C ATOM 540 CZ TYR A 35 5.763 -0.374 10.168 1.00 0.00 C ATOM 541 OH TYR A 35 6.079 -1.417 11.008 1.00 0.00 O ATOM 0 H TYR A 35 4.003 4.972 6.574 1.00 0.00 H new ATOM 0 HA TYR A 35 5.111 4.365 9.089 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.687 2.946 7.480 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.156 2.666 6.565 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.342 0.304 6.901 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.976 2.889 10.262 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.906 -1.561 8.396 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.550 1.037 11.758 1.00 0.00 H new ATOM 0 HH TYR A 35 6.754 -1.987 10.583 1.00 0.00 H new ATOM 551 N LEU A 36 7.252 4.501 6.591 1.00 0.00 N ATOM 552 CA LEU A 36 8.673 4.585 6.273 1.00 0.00 C ATOM 553 C LEU A 36 9.151 6.039 6.269 1.00 0.00 C ATOM 554 O LEU A 36 10.334 6.310 6.067 1.00 0.00 O ATOM 555 CB LEU A 36 8.962 3.938 4.916 1.00 0.00 C ATOM 556 CG LEU A 36 8.539 2.472 4.797 1.00 0.00 C ATOM 557 CD1 LEU A 36 7.456 2.303 3.739 1.00 0.00 C ATOM 558 CD2 LEU A 36 9.742 1.593 4.477 1.00 0.00 C ATOM 0 H LEU A 36 6.632 4.625 5.791 1.00 0.00 H new ATOM 0 HA LEU A 36 9.218 4.044 7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.454 4.512 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.031 4.010 4.716 1.00 0.00 H new ATOM 0 HG LEU A 36 8.127 2.159 5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.172 1.253 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.584 2.898 4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.835 2.637 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.422 0.554 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.184 1.911 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.481 1.684 5.273 1.00 0.00 H new ATOM 570 N ARG A 37 8.224 6.969 6.493 1.00 0.00 N ATOM 571 CA ARG A 37 8.548 8.393 6.518 1.00 0.00 C ATOM 572 C ARG A 37 8.927 8.899 5.132 1.00 0.00 C ATOM 573 O ARG A 37 9.703 9.846 4.999 1.00 0.00 O ATOM 574 CB ARG A 37 9.687 8.667 7.502 1.00 0.00 C ATOM 575 CG ARG A 37 9.570 10.008 8.210 1.00 0.00 C ATOM 576 CD ARG A 37 9.106 9.842 9.647 1.00 0.00 C ATOM 577 NE ARG A 37 8.377 11.014 10.126 1.00 0.00 N ATOM 578 CZ ARG A 37 8.950 12.187 10.387 1.00 0.00 C ATOM 579 NH1 ARG A 37 10.255 12.350 10.214 1.00 0.00 N ATOM 580 NH2 ARG A 37 8.213 13.201 10.821 1.00 0.00 N ATOM 0 H ARG A 37 7.240 6.760 6.660 1.00 0.00 H new ATOM 0 HA ARG A 37 7.657 8.929 6.846 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.711 7.873 8.248 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.636 8.630 6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.535 10.514 8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.868 10.645 7.671 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.467 8.962 9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.969 9.665 10.288 1.00 0.00 H new ATOM 0 HE ARG A 37 7.371 10.929 10.269 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.826 11.574 9.879 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.688 13.251 10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.209 13.081 10.954 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.650 14.100 11.021 1.00 0.00 H new ATOM 594 N MET A 38 8.363 8.278 4.102 1.00 0.00 N ATOM 595 CA MET A 38 8.634 8.685 2.730 1.00 0.00 C ATOM 596 C MET A 38 7.476 9.519 2.194 1.00 0.00 C ATOM 597 O MET A 38 6.321 9.099 2.244 1.00 0.00 O ATOM 598 CB MET A 38 8.853 7.458 1.842 1.00 0.00 C ATOM 599 CG MET A 38 9.978 6.555 2.319 1.00 0.00 C ATOM 600 SD MET A 38 11.558 6.944 1.543 1.00 0.00 S ATOM 601 CE MET A 38 11.752 5.543 0.445 1.00 0.00 C ATOM 0 H MET A 38 7.717 7.493 4.191 1.00 0.00 H new ATOM 0 HA MET A 38 9.541 9.289 2.719 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.929 6.881 1.799 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.070 7.789 0.826 1.00 0.00 H new ATOM 0 HG2 MET A 38 10.077 6.645 3.401 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.720 5.517 2.108 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.195 5.875 -0.494 1.00 0.00 H new ATOM 0 HE2 MET A 38 12.402 4.803 0.911 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.777 5.097 0.248 1.00 0.00 H new ATOM 611 N PHE A 39 7.791 10.707 1.692 1.00 0.00 N ATOM 612 CA PHE A 39 6.770 11.603 1.159 1.00 0.00 C ATOM 613 C PHE A 39 7.109 12.039 -0.263 1.00 0.00 C ATOM 614 O PHE A 39 8.175 11.715 -0.784 1.00 0.00 O ATOM 615 CB PHE A 39 6.615 12.826 2.067 1.00 0.00 C ATOM 616 CG PHE A 39 6.708 12.500 3.532 1.00 0.00 C ATOM 617 CD1 PHE A 39 7.937 12.488 4.174 1.00 0.00 C ATOM 618 CD2 PHE A 39 5.571 12.200 4.265 1.00 0.00 C ATOM 619 CE1 PHE A 39 8.029 12.185 5.520 1.00 0.00 C ATOM 620 CE2 PHE A 39 5.656 11.897 5.611 1.00 0.00 C ATOM 621 CZ PHE A 39 6.887 11.889 6.239 1.00 0.00 C ATOM 0 H PHE A 39 8.742 11.072 1.642 1.00 0.00 H new ATOM 0 HA PHE A 39 5.825 11.061 1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.385 13.555 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.652 13.297 1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.833 12.718 3.616 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.607 12.203 3.779 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.992 12.180 6.009 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.762 11.667 6.171 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.956 11.652 7.290 1.00 0.00 H new ATOM 631 N ARG A 40 6.193 12.775 -0.884 1.00 0.00 N ATOM 632 CA ARG A 40 6.395 13.256 -2.247 1.00 0.00 C ATOM 633 C ARG A 40 6.602 12.089 -3.208 1.00 0.00 C ATOM 634 O ARG A 40 7.353 12.194 -4.177 1.00 0.00 O ATOM 635 CB ARG A 40 7.597 14.202 -2.303 1.00 0.00 C ATOM 636 CG ARG A 40 7.220 15.672 -2.198 1.00 0.00 C ATOM 637 CD ARG A 40 7.919 16.505 -3.260 1.00 0.00 C ATOM 638 NE ARG A 40 7.924 17.928 -2.925 1.00 0.00 N ATOM 639 CZ ARG A 40 8.664 18.836 -3.557 1.00 0.00 C ATOM 640 NH1 ARG A 40 9.459 18.474 -4.556 1.00 0.00 N ATOM 641 NH2 ARG A 40 8.608 20.108 -3.190 1.00 0.00 N ATOM 0 H ARG A 40 5.304 13.051 -0.466 1.00 0.00 H new ATOM 0 HA ARG A 40 5.501 13.800 -2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.283 13.953 -1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.134 14.039 -3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.140 15.780 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.484 16.046 -1.209 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.945 16.157 -3.377 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.422 16.360 -4.219 1.00 0.00 H new ATOM 0 HE ARG A 40 7.325 18.244 -2.162 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.505 17.496 -4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.024 19.174 -5.037 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.998 20.391 -2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.175 20.804 -3.674 1.00 0.00 H new ATOM 655 N GLY A 41 5.930 10.976 -2.929 1.00 0.00 N ATOM 656 CA GLY A 41 6.054 9.805 -3.775 1.00 0.00 C ATOM 657 C GLY A 41 7.426 9.164 -3.682 1.00 0.00 C ATOM 658 O GLY A 41 7.830 8.416 -4.572 1.00 0.00 O ATOM 0 H GLY A 41 5.303 10.865 -2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.295 9.075 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.857 10.086 -4.810 1.00 0.00 H new ATOM 662 N SER A 42 8.143 9.455 -2.599 1.00 0.00 N ATOM 663 CA SER A 42 9.477 8.902 -2.393 1.00 0.00 C ATOM 664 C SER A 42 9.441 7.377 -2.394 1.00 0.00 C ATOM 665 O SER A 42 10.383 6.724 -2.841 1.00 0.00 O ATOM 666 CB SER A 42 10.063 9.410 -1.073 1.00 0.00 C ATOM 667 OG SER A 42 10.958 10.486 -1.293 1.00 0.00 O ATOM 0 H SER A 42 7.822 10.070 -1.852 1.00 0.00 H new ATOM 0 HA SER A 42 10.111 9.232 -3.216 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.257 9.732 -0.414 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.584 8.598 -0.566 1.00 0.00 H new ATOM 0 HG SER A 42 10.466 11.333 -1.262 1.00 0.00 H new ATOM 673 N LEU A 43 8.346 6.816 -1.888 1.00 0.00 N ATOM 674 CA LEU A 43 8.189 5.368 -1.830 1.00 0.00 C ATOM 675 C LEU A 43 8.127 4.771 -3.232 1.00 0.00 C ATOM 676 O LEU A 43 8.865 3.840 -3.553 1.00 0.00 O ATOM 677 CB LEU A 43 6.923 5.005 -1.052 1.00 0.00 C ATOM 678 CG LEU A 43 6.771 3.518 -0.720 1.00 0.00 C ATOM 679 CD1 LEU A 43 7.249 3.237 0.696 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.325 3.076 -0.896 1.00 0.00 C ATOM 0 H LEU A 43 7.556 7.342 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 43 9.056 4.952 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.911 5.573 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.056 5.323 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 43 7.390 2.946 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.134 2.175 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.299 3.514 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.657 3.819 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.237 2.017 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.684 3.654 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.017 3.241 -1.929 1.00 0.00 H new ATOM 692 N TYR A 44 7.242 5.311 -4.063 1.00 0.00 N ATOM 693 CA TYR A 44 7.084 4.828 -5.431 1.00 0.00 C ATOM 694 C TYR A 44 8.310 5.164 -6.273 1.00 0.00 C ATOM 695 O TYR A 44 8.747 4.360 -7.098 1.00 0.00 O ATOM 696 CB TYR A 44 5.830 5.431 -6.062 1.00 0.00 C ATOM 697 CG TYR A 44 4.560 5.097 -5.314 1.00 0.00 C ATOM 698 CD1 TYR A 44 3.643 6.086 -4.985 1.00 0.00 C ATOM 699 CD2 TYR A 44 4.280 3.790 -4.935 1.00 0.00 C ATOM 700 CE1 TYR A 44 2.483 5.783 -4.298 1.00 0.00 C ATOM 701 CE2 TYR A 44 3.121 3.478 -4.250 1.00 0.00 C ATOM 702 CZ TYR A 44 2.227 4.478 -3.933 1.00 0.00 C ATOM 703 OH TYR A 44 1.073 4.172 -3.249 1.00 0.00 O ATOM 0 H TYR A 44 6.623 6.083 -3.814 1.00 0.00 H new ATOM 0 HA TYR A 44 6.979 3.744 -5.399 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.941 6.514 -6.108 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.742 5.075 -7.089 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.839 7.109 -5.271 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.980 3.005 -5.180 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.780 6.564 -4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.917 2.457 -3.965 1.00 0.00 H new ATOM 0 HH TYR A 44 0.923 3.204 -3.277 1.00 0.00 H new ATOM 713 N LYS A 45 8.863 6.354 -6.061 1.00 0.00 N ATOM 714 CA LYS A 45 10.041 6.789 -6.801 1.00 0.00 C ATOM 715 C LYS A 45 11.257 5.947 -6.426 1.00 0.00 C ATOM 716 O LYS A 45 12.147 5.723 -7.245 1.00 0.00 O ATOM 717 CB LYS A 45 10.323 8.270 -6.530 1.00 0.00 C ATOM 718 CG LYS A 45 9.892 9.188 -7.662 1.00 0.00 C ATOM 719 CD LYS A 45 8.465 9.676 -7.472 1.00 0.00 C ATOM 720 CE LYS A 45 8.305 11.118 -7.923 1.00 0.00 C ATOM 721 NZ LYS A 45 6.873 11.488 -8.104 1.00 0.00 N ATOM 0 H LYS A 45 8.515 7.033 -5.384 1.00 0.00 H new ATOM 0 HA LYS A 45 9.843 6.656 -7.865 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.809 8.568 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.390 8.402 -6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.566 10.043 -7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.973 8.659 -8.612 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.784 9.039 -8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.186 9.589 -6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.761 11.781 -7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.840 11.266 -8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.807 12.479 -8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.444 10.872 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.368 11.371 -7.203 1.00 0.00 H new ATOM 735 N ARG A 46 11.284 5.482 -5.181 1.00 0.00 N ATOM 736 CA ARG A 46 12.386 4.661 -4.693 1.00 0.00 C ATOM 737 C ARG A 46 12.097 3.173 -4.887 1.00 0.00 C ATOM 738 O ARG A 46 13.003 2.344 -4.820 1.00 0.00 O ATOM 739 CB ARG A 46 12.649 4.951 -3.214 1.00 0.00 C ATOM 740 CG ARG A 46 13.918 4.306 -2.683 1.00 0.00 C ATOM 741 CD ARG A 46 15.161 5.021 -3.189 1.00 0.00 C ATOM 742 NE ARG A 46 16.206 5.089 -2.170 1.00 0.00 N ATOM 743 CZ ARG A 46 17.292 5.850 -2.272 1.00 0.00 C ATOM 744 NH1 ARG A 46 17.481 6.610 -3.344 1.00 0.00 N ATOM 745 NH2 ARG A 46 18.195 5.853 -1.299 1.00 0.00 N ATOM 0 H ARG A 46 10.554 5.660 -4.491 1.00 0.00 H new ATOM 0 HA ARG A 46 13.273 4.915 -5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.712 6.030 -3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.800 4.600 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.907 4.321 -1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 46 13.950 3.260 -2.987 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.545 4.503 -4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.896 6.030 -3.504 1.00 0.00 H new ATOM 0 HE ARG A 46 16.096 4.519 -1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.791 6.613 -4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.316 7.191 -3.416 1.00 0.00 H new ATOM 0 HH21 ARG A 46 18.056 5.271 -0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 46 19.028 6.437 -1.378 1.00 0.00 H new ATOM 759 N TYR A 47 10.830 2.840 -5.125 1.00 0.00 N ATOM 760 CA TYR A 47 10.428 1.452 -5.325 1.00 0.00 C ATOM 761 C TYR A 47 9.548 1.310 -6.568 1.00 0.00 C ATOM 762 O TYR A 47 8.356 1.019 -6.465 1.00 0.00 O ATOM 763 CB TYR A 47 9.675 0.941 -4.095 1.00 0.00 C ATOM 764 CG TYR A 47 10.557 0.714 -2.888 1.00 0.00 C ATOM 765 CD1 TYR A 47 10.890 1.758 -2.034 1.00 0.00 C ATOM 766 CD2 TYR A 47 11.050 -0.548 -2.602 1.00 0.00 C ATOM 767 CE1 TYR A 47 11.692 1.544 -0.929 1.00 0.00 C ATOM 768 CE2 TYR A 47 11.852 -0.773 -1.502 1.00 0.00 C ATOM 769 CZ TYR A 47 12.171 0.276 -0.667 1.00 0.00 C ATOM 770 OH TYR A 47 12.968 0.057 0.433 1.00 0.00 O ATOM 0 H TYR A 47 10.066 3.513 -5.184 1.00 0.00 H new ATOM 0 HA TYR A 47 11.328 0.855 -5.471 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.896 1.658 -3.834 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.176 0.006 -4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.517 2.751 -2.237 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.802 -1.373 -3.253 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.943 2.365 -0.274 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.227 -1.765 -1.297 1.00 0.00 H new ATOM 0 HH TYR A 47 13.205 -0.893 0.481 1.00 0.00 H new ATOM 780 N PRO A 48 10.123 1.521 -7.766 1.00 0.00 N ATOM 781 CA PRO A 48 9.379 1.421 -9.027 1.00 0.00 C ATOM 782 C PRO A 48 8.823 0.023 -9.276 1.00 0.00 C ATOM 783 O PRO A 48 7.763 -0.131 -9.884 1.00 0.00 O ATOM 784 CB PRO A 48 10.418 1.777 -10.098 1.00 0.00 C ATOM 785 CG PRO A 48 11.519 2.466 -9.366 1.00 0.00 C ATOM 786 CD PRO A 48 11.533 1.876 -7.986 1.00 0.00 C ATOM 0 HA PRO A 48 8.508 2.076 -9.025 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.782 0.883 -10.605 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.989 2.425 -10.862 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.475 2.312 -9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.349 3.542 -9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.183 1.003 -7.926 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.890 2.591 -7.245 1.00 0.00 H new ATOM 794 N SER A 49 9.539 -0.998 -8.809 1.00 0.00 N ATOM 795 CA SER A 49 9.100 -2.378 -8.995 1.00 0.00 C ATOM 796 C SER A 49 7.901 -2.709 -8.105 1.00 0.00 C ATOM 797 O SER A 49 7.289 -3.767 -8.248 1.00 0.00 O ATOM 798 CB SER A 49 10.248 -3.346 -8.703 1.00 0.00 C ATOM 799 OG SER A 49 10.695 -3.977 -9.890 1.00 0.00 O ATOM 0 H SER A 49 10.419 -0.897 -8.303 1.00 0.00 H new ATOM 0 HA SER A 49 8.791 -2.489 -10.035 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.074 -2.806 -8.240 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.919 -4.100 -7.988 1.00 0.00 H new ATOM 0 HG SER A 49 11.149 -4.815 -9.664 1.00 0.00 H new ATOM 805 N LEU A 50 7.570 -1.806 -7.186 1.00 0.00 N ATOM 806 CA LEU A 50 6.446 -2.017 -6.280 1.00 0.00 C ATOM 807 C LEU A 50 5.116 -1.797 -6.995 1.00 0.00 C ATOM 808 O LEU A 50 4.957 -0.838 -7.751 1.00 0.00 O ATOM 809 CB LEU A 50 6.556 -1.081 -5.076 1.00 0.00 C ATOM 810 CG LEU A 50 6.291 -1.734 -3.719 1.00 0.00 C ATOM 811 CD1 LEU A 50 7.364 -2.764 -3.405 1.00 0.00 C ATOM 812 CD2 LEU A 50 6.228 -0.678 -2.627 1.00 0.00 C ATOM 0 H LEU A 50 8.063 -0.924 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 50 6.480 -3.050 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.556 -0.647 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.853 -0.259 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 50 5.329 -2.244 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.159 -3.219 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.364 -3.536 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.339 -2.277 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.039 -1.158 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.176 -0.142 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.424 0.024 -2.846 1.00 0.00 H new ATOM 824 N TRP A 51 4.163 -2.689 -6.747 1.00 0.00 N ATOM 825 CA TRP A 51 2.844 -2.593 -7.364 1.00 0.00 C ATOM 826 C TRP A 51 2.023 -1.479 -6.718 1.00 0.00 C ATOM 827 O TRP A 51 1.799 -1.484 -5.507 1.00 0.00 O ATOM 828 CB TRP A 51 2.097 -3.922 -7.231 1.00 0.00 C ATOM 829 CG TRP A 51 0.744 -3.901 -7.878 1.00 0.00 C ATOM 830 CD1 TRP A 51 0.424 -4.322 -9.136 1.00 0.00 C ATOM 831 CD2 TRP A 51 -0.471 -3.423 -7.294 1.00 0.00 C ATOM 832 NE1 TRP A 51 -0.916 -4.129 -9.371 1.00 0.00 N ATOM 833 CE2 TRP A 51 -1.488 -3.578 -8.253 1.00 0.00 C ATOM 834 CE3 TRP A 51 -0.795 -2.878 -6.051 1.00 0.00 C ATOM 835 CZ2 TRP A 51 -2.806 -3.204 -8.006 1.00 0.00 C ATOM 836 CZ3 TRP A 51 -2.100 -2.508 -5.804 1.00 0.00 C ATOM 837 CH2 TRP A 51 -3.093 -2.671 -6.779 1.00 0.00 C ATOM 0 H TRP A 51 4.279 -3.487 -6.123 1.00 0.00 H new ATOM 0 HA TRP A 51 2.982 -2.361 -8.420 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.696 -4.715 -7.679 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.985 -4.165 -6.174 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.122 -4.745 -9.843 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.406 -4.358 -10.236 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.035 -2.748 -5.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.574 -3.330 -8.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.361 -2.086 -4.845 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.106 -2.370 -6.557 1.00 0.00 H new ATOM 848 N ARG A 52 1.571 -0.528 -7.531 1.00 0.00 N ATOM 849 CA ARG A 52 0.770 0.585 -7.030 1.00 0.00 C ATOM 850 C ARG A 52 -0.375 0.912 -7.985 1.00 0.00 C ATOM 851 O ARG A 52 -0.201 0.915 -9.203 1.00 0.00 O ATOM 852 CB ARG A 52 1.650 1.821 -6.829 1.00 0.00 C ATOM 853 CG ARG A 52 2.339 2.289 -8.101 1.00 0.00 C ATOM 854 CD ARG A 52 2.335 3.805 -8.213 1.00 0.00 C ATOM 855 NE ARG A 52 2.673 4.255 -9.562 1.00 0.00 N ATOM 856 CZ ARG A 52 3.917 4.311 -10.035 1.00 0.00 C ATOM 857 NH1 ARG A 52 4.940 3.947 -9.274 1.00 0.00 N ATOM 858 NH2 ARG A 52 4.135 4.732 -11.273 1.00 0.00 N ATOM 0 H ARG A 52 1.745 -0.505 -8.536 1.00 0.00 H new ATOM 0 HA ARG A 52 0.343 0.288 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.038 2.633 -6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.406 1.600 -6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.366 1.925 -8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.837 1.858 -8.967 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.351 4.186 -7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.048 4.223 -7.502 1.00 0.00 H new ATOM 0 HE ARG A 52 1.912 4.543 -10.177 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.777 3.622 -8.321 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.890 3.992 -9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.351 5.012 -11.862 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.087 4.775 -11.637 1.00 0.00 H new ATOM 872 N ARG A 53 -1.548 1.190 -7.420 1.00 0.00 N ATOM 873 CA ARG A 53 -2.723 1.519 -8.218 1.00 0.00 C ATOM 874 C ARG A 53 -3.665 2.449 -7.470 1.00 0.00 C ATOM 875 O ARG A 53 -3.554 2.627 -6.258 1.00 0.00 O ATOM 876 CB ARG A 53 -3.474 0.250 -8.604 1.00 0.00 C ATOM 877 CG ARG A 53 -2.916 -0.413 -9.842 1.00 0.00 C ATOM 878 CD ARG A 53 -4.013 -0.775 -10.831 1.00 0.00 C ATOM 879 NE ARG A 53 -4.581 -2.096 -10.566 1.00 0.00 N ATOM 880 CZ ARG A 53 -4.162 -3.219 -11.150 1.00 0.00 C ATOM 881 NH1 ARG A 53 -3.156 -3.195 -12.017 1.00 0.00 N ATOM 882 NH2 ARG A 53 -4.747 -4.372 -10.858 1.00 0.00 N ATOM 0 H ARG A 53 -1.708 1.194 -6.413 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.373 2.029 -9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.437 -0.455 -7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.524 0.492 -8.770 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.200 0.255 -10.321 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.371 -1.313 -9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.803 -0.026 -10.785 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.610 -0.751 -11.843 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.345 -2.163 -9.893 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.697 -2.312 -12.241 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.843 -4.059 -12.459 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.516 -4.399 -10.188 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.429 -5.233 -11.303 1.00 0.00 H new ATOM 896 N LEU A 54 -4.603 3.027 -8.208 1.00 0.00 N ATOM 897 CA LEU A 54 -5.587 3.929 -7.625 1.00 0.00 C ATOM 898 C LEU A 54 -6.854 3.167 -7.253 1.00 0.00 C ATOM 899 O LEU A 54 -7.261 2.241 -7.955 1.00 0.00 O ATOM 900 CB LEU A 54 -5.918 5.062 -8.596 1.00 0.00 C ATOM 901 CG LEU A 54 -5.030 6.296 -8.458 1.00 0.00 C ATOM 902 CD1 LEU A 54 -4.448 6.700 -9.803 1.00 0.00 C ATOM 903 CD2 LEU A 54 -5.808 7.451 -7.843 1.00 0.00 C ATOM 0 H LEU A 54 -4.703 2.887 -9.213 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.161 4.361 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.837 4.685 -9.615 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.956 5.359 -8.447 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.204 6.044 -7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.819 7.582 -9.677 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.849 5.881 -10.201 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.258 6.928 -10.496 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.157 8.321 -7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.658 7.697 -8.480 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.167 7.163 -6.855 1.00 0.00 H new ATOM 915 N ALA A 55 -7.465 3.553 -6.140 1.00 0.00 N ATOM 916 CA ALA A 55 -8.678 2.895 -5.669 1.00 0.00 C ATOM 917 C ALA A 55 -9.902 3.321 -6.472 1.00 0.00 C ATOM 918 O ALA A 55 -10.191 4.510 -6.605 1.00 0.00 O ATOM 919 CB ALA A 55 -8.893 3.184 -4.193 1.00 0.00 C ATOM 0 H ALA A 55 -7.141 4.317 -5.547 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.547 1.822 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.802 2.687 -3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.042 2.813 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.990 4.259 -4.043 1.00 0.00 H new ATOM 925 N THR A 56 -10.626 2.335 -6.992 1.00 0.00 N ATOM 926 CA THR A 56 -11.833 2.590 -7.769 1.00 0.00 C ATOM 927 C THR A 56 -12.978 2.978 -6.842 1.00 0.00 C ATOM 928 O THR A 56 -12.853 2.880 -5.627 1.00 0.00 O ATOM 929 CB THR A 56 -12.219 1.348 -8.572 1.00 0.00 C ATOM 930 OG1 THR A 56 -12.821 0.379 -7.729 1.00 0.00 O ATOM 931 CG2 THR A 56 -11.046 0.691 -9.265 1.00 0.00 C ATOM 0 H THR A 56 -10.396 1.347 -6.888 1.00 0.00 H new ATOM 0 HA THR A 56 -11.636 3.411 -8.459 1.00 0.00 H new ATOM 0 HB THR A 56 -12.915 1.699 -9.334 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.064 -0.409 -8.258 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.392 -0.184 -9.816 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.589 1.399 -9.957 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.310 0.384 -8.522 1.00 0.00 H new ATOM 939 N VAL A 57 -14.095 3.413 -7.415 1.00 0.00 N ATOM 940 CA VAL A 57 -15.252 3.798 -6.613 1.00 0.00 C ATOM 941 C VAL A 57 -15.676 2.653 -5.695 1.00 0.00 C ATOM 942 O VAL A 57 -16.032 2.865 -4.533 1.00 0.00 O ATOM 943 CB VAL A 57 -16.445 4.201 -7.500 1.00 0.00 C ATOM 944 CG1 VAL A 57 -17.560 4.799 -6.657 1.00 0.00 C ATOM 945 CG2 VAL A 57 -16.001 5.173 -8.582 1.00 0.00 C ATOM 0 H VAL A 57 -14.224 3.508 -8.422 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.955 4.658 -6.013 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.832 3.306 -7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -18.394 5.078 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.896 4.065 -5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -17.190 5.684 -6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.857 5.447 -9.199 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.586 6.068 -8.119 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -15.241 4.702 -9.205 1.00 0.00 H new ATOM 955 N GLU A 58 -15.619 1.437 -6.227 1.00 0.00 N ATOM 956 CA GLU A 58 -15.983 0.247 -5.467 1.00 0.00 C ATOM 957 C GLU A 58 -14.953 -0.023 -4.380 1.00 0.00 C ATOM 958 O GLU A 58 -15.296 -0.194 -3.209 1.00 0.00 O ATOM 959 CB GLU A 58 -16.096 -0.965 -6.394 1.00 0.00 C ATOM 960 CG GLU A 58 -17.378 -0.990 -7.209 1.00 0.00 C ATOM 961 CD GLU A 58 -17.814 -2.397 -7.567 1.00 0.00 C ATOM 962 OE1 GLU A 58 -16.937 -3.231 -7.873 1.00 0.00 O ATOM 963 OE2 GLU A 58 -19.034 -2.666 -7.539 1.00 0.00 O ATOM 0 H GLU A 58 -15.323 1.249 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 58 -16.951 0.421 -4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -15.243 -0.973 -7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -16.037 -1.875 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.172 -0.500 -6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -17.234 -0.414 -8.123 1.00 0.00 H new ATOM 970 N GLU A 59 -13.684 -0.039 -4.774 1.00 0.00 N ATOM 971 CA GLU A 59 -12.597 -0.265 -3.833 1.00 0.00 C ATOM 972 C GLU A 59 -12.654 0.769 -2.716 1.00 0.00 C ATOM 973 O GLU A 59 -12.429 0.457 -1.551 1.00 0.00 O ATOM 974 CB GLU A 59 -11.245 -0.191 -4.546 1.00 0.00 C ATOM 975 CG GLU A 59 -10.921 -1.429 -5.367 1.00 0.00 C ATOM 976 CD GLU A 59 -9.580 -1.328 -6.068 1.00 0.00 C ATOM 977 OE1 GLU A 59 -9.297 -0.264 -6.657 1.00 0.00 O ATOM 978 OE2 GLU A 59 -8.813 -2.313 -6.027 1.00 0.00 O ATOM 0 H GLU A 59 -13.385 0.102 -5.739 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.709 -1.261 -3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.236 0.681 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.460 -0.042 -3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.922 -2.303 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.704 -1.584 -6.109 1.00 0.00 H new ATOM 985 N ARG A 60 -12.965 2.002 -3.095 1.00 0.00 N ATOM 986 CA ARG A 60 -13.069 3.110 -2.160 1.00 0.00 C ATOM 987 C ARG A 60 -14.143 2.848 -1.119 1.00 0.00 C ATOM 988 O ARG A 60 -13.902 2.997 0.079 1.00 0.00 O ATOM 989 CB ARG A 60 -13.395 4.382 -2.936 1.00 0.00 C ATOM 990 CG ARG A 60 -12.257 4.853 -3.832 1.00 0.00 C ATOM 991 CD ARG A 60 -11.342 5.837 -3.116 1.00 0.00 C ATOM 992 NE ARG A 60 -12.013 6.477 -1.989 1.00 0.00 N ATOM 993 CZ ARG A 60 -11.956 6.033 -0.734 1.00 0.00 C ATOM 994 NH1 ARG A 60 -11.184 5.003 -0.415 1.00 0.00 N ATOM 995 NH2 ARG A 60 -12.675 6.625 0.208 1.00 0.00 N ATOM 0 H ARG A 60 -13.153 2.261 -4.064 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.119 3.223 -1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.281 4.209 -3.547 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.644 5.175 -2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.676 3.992 -4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.669 5.323 -4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.453 5.315 -2.762 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.005 6.599 -3.819 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.560 7.318 -2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.626 4.542 -1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.148 4.672 0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.270 7.419 -0.028 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.633 6.287 1.169 1.00 0.00 H new ATOM 1009 N LYS A 61 -15.327 2.440 -1.568 1.00 0.00 N ATOM 1010 CA LYS A 61 -16.409 2.148 -0.640 1.00 0.00 C ATOM 1011 C LYS A 61 -15.943 1.085 0.342 1.00 0.00 C ATOM 1012 O LYS A 61 -16.214 1.163 1.541 1.00 0.00 O ATOM 1013 CB LYS A 61 -17.656 1.675 -1.390 1.00 0.00 C ATOM 1014 CG LYS A 61 -18.682 2.776 -1.618 1.00 0.00 C ATOM 1015 CD LYS A 61 -19.004 2.944 -3.094 1.00 0.00 C ATOM 1016 CE LYS A 61 -20.305 2.250 -3.464 1.00 0.00 C ATOM 1017 NZ LYS A 61 -20.997 2.931 -4.593 1.00 0.00 N ATOM 0 H LYS A 61 -15.557 2.306 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 61 -16.673 3.056 -0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.356 1.263 -2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -18.122 0.865 -0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -19.595 2.542 -1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -18.302 3.716 -1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -19.076 4.005 -3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.190 2.537 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -20.099 1.215 -3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -20.964 2.227 -2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.879 2.427 -4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -21.216 3.912 -4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.379 2.931 -5.430 1.00 0.00 H new ATOM 1031 N LYS A 62 -15.200 0.115 -0.176 1.00 0.00 N ATOM 1032 CA LYS A 62 -14.647 -0.943 0.651 1.00 0.00 C ATOM 1033 C LYS A 62 -13.580 -0.364 1.573 1.00 0.00 C ATOM 1034 O LYS A 62 -13.422 -0.800 2.713 1.00 0.00 O ATOM 1035 CB LYS A 62 -14.048 -2.049 -0.220 1.00 0.00 C ATOM 1036 CG LYS A 62 -15.081 -3.019 -0.771 1.00 0.00 C ATOM 1037 CD LYS A 62 -14.627 -3.627 -2.090 1.00 0.00 C ATOM 1038 CE LYS A 62 -14.947 -5.111 -2.160 1.00 0.00 C ATOM 1039 NZ LYS A 62 -16.394 -5.379 -1.934 1.00 0.00 N ATOM 0 H LYS A 62 -14.968 0.042 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.447 -1.377 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.510 -1.593 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.316 -2.605 0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.260 -3.813 -0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -16.029 -2.500 -0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.114 -3.110 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.554 -3.479 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.654 -5.500 -3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.358 -5.645 -1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.612 -6.360 -2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.620 -5.238 -0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.962 -4.727 -2.511 1.00 0.00 H new ATOM 1053 N ILE A 63 -12.848 0.629 1.063 1.00 0.00 N ATOM 1054 CA ILE A 63 -11.795 1.277 1.831 1.00 0.00 C ATOM 1055 C ILE A 63 -12.374 2.141 2.946 1.00 0.00 C ATOM 1056 O ILE A 63 -11.715 2.373 3.952 1.00 0.00 O ATOM 1057 CB ILE A 63 -10.866 2.137 0.951 1.00 0.00 C ATOM 1058 CG1 ILE A 63 -10.097 1.252 -0.031 1.00 0.00 C ATOM 1059 CG2 ILE A 63 -9.890 2.923 1.825 1.00 0.00 C ATOM 1060 CD1 ILE A 63 -9.754 1.944 -1.331 1.00 0.00 C ATOM 0 H ILE A 63 -12.969 0.999 0.120 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.202 0.472 2.266 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.476 2.841 0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.176 0.912 0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.690 0.364 -0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.239 3.526 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.448 3.575 2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.286 2.230 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.209 1.255 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.671 2.260 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.134 2.817 -1.126 1.00 0.00 H new ATOM 1072 N VAL A 64 -13.601 2.622 2.767 1.00 0.00 N ATOM 1073 CA VAL A 64 -14.227 3.457 3.787 1.00 0.00 C ATOM 1074 C VAL A 64 -14.402 2.669 5.080 1.00 0.00 C ATOM 1075 O VAL A 64 -13.993 3.113 6.153 1.00 0.00 O ATOM 1076 CB VAL A 64 -15.597 3.990 3.324 1.00 0.00 C ATOM 1077 CG1 VAL A 64 -16.218 4.881 4.390 1.00 0.00 C ATOM 1078 CG2 VAL A 64 -15.461 4.742 2.010 1.00 0.00 C ATOM 0 H VAL A 64 -14.173 2.452 1.940 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.569 4.308 3.960 1.00 0.00 H new ATOM 0 HB VAL A 64 -16.258 3.138 3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -17.184 5.246 4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -16.355 4.309 5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -15.560 5.727 4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -16.438 5.111 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -14.781 5.583 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -15.066 4.072 1.246 1.00 0.00 H new ATOM 1088 N ALA A 65 -14.988 1.482 4.965 1.00 0.00 N ATOM 1089 CA ALA A 65 -15.187 0.614 6.119 1.00 0.00 C ATOM 1090 C ALA A 65 -13.861 0.001 6.553 1.00 0.00 C ATOM 1091 O ALA A 65 -13.550 -0.076 7.743 1.00 0.00 O ATOM 1092 CB ALA A 65 -16.197 -0.477 5.793 1.00 0.00 C ATOM 0 H ALA A 65 -15.333 1.099 4.085 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.579 1.212 6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.335 -1.117 6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -17.150 -0.022 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -15.830 -1.074 4.958 1.00 0.00 H new ATOM 1098 N SER A 66 -13.088 -0.432 5.564 1.00 0.00 N ATOM 1099 CA SER A 66 -11.784 -1.047 5.791 1.00 0.00 C ATOM 1100 C SER A 66 -10.728 -0.008 6.166 1.00 0.00 C ATOM 1101 O SER A 66 -9.632 -0.361 6.592 1.00 0.00 O ATOM 1102 CB SER A 66 -11.338 -1.814 4.545 1.00 0.00 C ATOM 1103 OG SER A 66 -10.550 -2.939 4.895 1.00 0.00 O ATOM 0 H SER A 66 -13.348 -0.367 4.580 1.00 0.00 H new ATOM 0 HA SER A 66 -11.887 -1.739 6.627 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.213 -2.139 3.982 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.766 -1.154 3.893 1.00 0.00 H new ATOM 0 HG SER A 66 -10.895 -3.735 4.438 1.00 0.00 H new ATOM 1109 N SER A 67 -11.050 1.270 5.975 1.00 0.00 N ATOM 1110 CA SER A 67 -10.113 2.356 6.265 1.00 0.00 C ATOM 1111 C SER A 67 -9.568 2.293 7.692 1.00 0.00 C ATOM 1112 O SER A 67 -8.614 2.998 8.020 1.00 0.00 O ATOM 1113 CB SER A 67 -10.787 3.712 6.036 1.00 0.00 C ATOM 1114 OG SER A 67 -10.220 4.382 4.924 1.00 0.00 O ATOM 0 H SER A 67 -11.954 1.580 5.620 1.00 0.00 H new ATOM 0 HA SER A 67 -9.271 2.237 5.583 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.855 3.568 5.872 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.682 4.329 6.928 1.00 0.00 H new ATOM 0 HG SER A 67 -10.669 5.244 4.798 1.00 0.00 H new ATOM 1120 N HIS A 68 -10.167 1.456 8.539 1.00 0.00 N ATOM 1121 CA HIS A 68 -9.719 1.320 9.923 1.00 0.00 C ATOM 1122 C HIS A 68 -10.094 2.550 10.742 1.00 0.00 C ATOM 1123 O HIS A 68 -10.647 3.515 10.214 1.00 0.00 O ATOM 1124 CB HIS A 68 -8.203 1.097 9.979 1.00 0.00 C ATOM 1125 CG HIS A 68 -7.761 -0.196 9.368 1.00 0.00 C ATOM 1126 ND1 HIS A 68 -7.658 -0.384 8.008 1.00 0.00 N ATOM 1127 CD2 HIS A 68 -7.391 -1.369 9.937 1.00 0.00 C ATOM 1128 CE1 HIS A 68 -7.249 -1.616 7.763 1.00 0.00 C ATOM 1129 NE2 HIS A 68 -7.078 -2.234 8.916 1.00 0.00 N ATOM 0 H HIS A 68 -10.960 0.865 8.292 1.00 0.00 H new ATOM 0 HA HIS A 68 -10.220 0.453 10.352 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.705 1.920 9.466 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -7.879 1.126 11.019 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -7.865 0.319 7.299 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.350 -1.584 10.995 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -7.083 -2.044 6.786 1.00 0.00 H new ATOM 1138 N GLY A 69 -9.791 2.507 12.036 1.00 0.00 N ATOM 1139 CA GLY A 69 -10.103 3.624 12.909 1.00 0.00 C ATOM 1140 C GLY A 69 -11.241 3.312 13.863 1.00 0.00 C ATOM 1141 O GLY A 69 -11.332 3.897 14.941 1.00 0.00 O ATOM 0 H GLY A 69 -9.335 1.719 12.495 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.216 3.893 13.482 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.367 4.492 12.304 1.00 0.00 H new ATOM 1145 N LYS A 70 -12.110 2.389 13.463 1.00 0.00 N ATOM 1146 CA LYS A 70 -13.247 2.000 14.289 1.00 0.00 C ATOM 1147 C LYS A 70 -12.812 1.058 15.407 1.00 0.00 C ATOM 1148 O LYS A 70 -13.376 1.073 16.501 1.00 0.00 O ATOM 1149 CB LYS A 70 -14.323 1.331 13.427 1.00 0.00 C ATOM 1150 CG LYS A 70 -15.686 1.994 13.534 1.00 0.00 C ATOM 1151 CD LYS A 70 -15.722 3.317 12.785 1.00 0.00 C ATOM 1152 CE LYS A 70 -15.445 4.492 13.711 1.00 0.00 C ATOM 1153 NZ LYS A 70 -14.147 5.151 13.397 1.00 0.00 N ATOM 0 H LYS A 70 -12.048 1.897 12.572 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.662 2.900 14.742 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.002 1.344 12.385 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.413 0.285 13.720 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.449 1.327 13.133 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.929 2.162 14.583 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.983 3.302 11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.698 3.444 12.317 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.252 5.220 13.626 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.436 4.146 14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.722 5.516 14.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.503 4.460 12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.308 5.938 12.737 1.00 0.00 H new ATOM 1167 N LYS A 71 -11.806 0.237 15.123 1.00 0.00 N ATOM 1168 CA LYS A 71 -11.295 -0.715 16.103 1.00 0.00 C ATOM 1169 C LYS A 71 -10.788 0.001 17.350 1.00 0.00 C ATOM 1170 O LYS A 71 -10.255 1.108 17.269 1.00 0.00 O ATOM 1171 CB LYS A 71 -10.171 -1.554 15.490 1.00 0.00 C ATOM 1172 CG LYS A 71 -10.590 -2.309 14.239 1.00 0.00 C ATOM 1173 CD LYS A 71 -9.383 -2.762 13.433 1.00 0.00 C ATOM 1174 CE LYS A 71 -8.820 -4.073 13.961 1.00 0.00 C ATOM 1175 NZ LYS A 71 -7.331 -4.057 14.012 1.00 0.00 N ATOM 0 H LYS A 71 -11.328 0.212 14.222 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.115 -1.372 16.394 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.333 -0.901 15.247 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.815 -2.268 16.233 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.188 -3.176 14.519 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.223 -1.671 13.622 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.667 -2.882 12.387 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.611 -1.993 13.468 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.216 -4.262 14.959 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.153 -4.893 13.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.986 -4.968 14.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.953 -3.902 13.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.013 -3.290 14.639 1.00 0.00 H new ATOM 1189 N THR A 72 -10.958 -0.638 18.502 1.00 0.00 N ATOM 1190 CA THR A 72 -10.519 -0.064 19.769 1.00 0.00 C ATOM 1191 C THR A 72 -9.006 -0.175 19.921 1.00 0.00 C ATOM 1192 O THR A 72 -8.432 -1.249 19.741 1.00 0.00 O ATOM 1193 CB THR A 72 -11.214 -0.766 20.937 1.00 0.00 C ATOM 1194 OG1 THR A 72 -12.561 -1.061 20.616 1.00 0.00 O ATOM 1195 CG2 THR A 72 -11.215 0.050 22.211 1.00 0.00 C ATOM 0 H THR A 72 -11.397 -1.555 18.585 1.00 0.00 H new ATOM 0 HA THR A 72 -10.790 0.992 19.775 1.00 0.00 H new ATOM 0 HB THR A 72 -10.640 -1.677 21.108 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.987 -1.511 21.375 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.723 -0.506 22.999 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.188 0.252 22.514 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.735 0.993 22.039 1.00 0.00 H new ATOM 1203 N LYS A 73 -8.366 0.941 20.254 1.00 0.00 N ATOM 1204 CA LYS A 73 -6.919 0.969 20.430 1.00 0.00 C ATOM 1205 C LYS A 73 -6.547 1.578 21.782 1.00 0.00 C ATOM 1206 O LYS A 73 -6.882 2.729 22.063 1.00 0.00 O ATOM 1207 CB LYS A 73 -6.262 1.767 19.300 1.00 0.00 C ATOM 1208 CG LYS A 73 -5.572 0.897 18.263 1.00 0.00 C ATOM 1209 CD LYS A 73 -4.130 0.601 18.651 1.00 0.00 C ATOM 1210 CE LYS A 73 -3.885 -0.892 18.799 1.00 0.00 C ATOM 1211 NZ LYS A 73 -2.552 -1.292 18.271 1.00 0.00 N ATOM 0 H LYS A 73 -8.827 1.838 20.407 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.554 -0.058 20.401 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.021 2.374 18.806 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.533 2.455 19.728 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.119 -0.039 18.150 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.594 1.397 17.295 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.458 1.007 17.895 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.895 1.104 19.589 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.957 -1.169 19.851 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.664 -1.442 18.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.368 -2.287 18.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.539 -1.178 17.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.816 -0.691 18.695 1.00 0.00 H new ATOM 1225 N PRO A 74 -5.848 0.815 22.644 1.00 0.00 N ATOM 1226 CA PRO A 74 -5.439 1.297 23.968 1.00 0.00 C ATOM 1227 C PRO A 74 -4.690 2.623 23.894 1.00 0.00 C ATOM 1228 O PRO A 74 -4.712 3.413 24.838 1.00 0.00 O ATOM 1229 CB PRO A 74 -4.515 0.190 24.483 1.00 0.00 C ATOM 1230 CG PRO A 74 -4.948 -1.035 23.755 1.00 0.00 C ATOM 1231 CD PRO A 74 -5.403 -0.570 22.399 1.00 0.00 C ATOM 0 HA PRO A 74 -6.296 1.488 24.614 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.469 0.422 24.281 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.611 0.064 25.561 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.128 -1.748 23.668 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.755 -1.540 24.286 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.595 -0.609 21.669 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.212 -1.190 22.012 1.00 0.00 H new ATOM 1239 N ASN A 75 -4.029 2.861 22.767 1.00 0.00 N ATOM 1240 CA ASN A 75 -3.274 4.093 22.568 1.00 0.00 C ATOM 1241 C ASN A 75 -4.030 5.053 21.654 1.00 0.00 C ATOM 1242 O ASN A 75 -4.826 4.630 20.816 1.00 0.00 O ATOM 1243 CB ASN A 75 -1.897 3.782 21.977 1.00 0.00 C ATOM 1244 CG ASN A 75 -0.784 4.546 22.668 1.00 0.00 C ATOM 1245 OD1 ASN A 75 -0.664 5.762 22.518 1.00 0.00 O ATOM 1246 ND2 ASN A 75 0.037 3.834 23.430 1.00 0.00 N ATOM 0 H ASN A 75 -4.000 2.217 21.977 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.144 4.572 23.539 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -1.704 2.712 22.057 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.897 4.027 20.915 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.805 4.293 23.920 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.100 2.828 23.526 1.00 0.00 H new ATOM 1253 N THR A 76 -3.775 6.346 21.823 1.00 0.00 N ATOM 1254 CA THR A 76 -4.431 7.366 21.014 1.00 0.00 C ATOM 1255 C THR A 76 -3.534 7.809 19.863 1.00 0.00 C ATOM 1256 O THR A 76 -2.308 7.795 19.978 1.00 0.00 O ATOM 1257 CB THR A 76 -4.806 8.571 21.878 1.00 0.00 C ATOM 1258 OG1 THR A 76 -3.661 9.100 22.524 1.00 0.00 O ATOM 1259 CG2 THR A 76 -5.827 8.246 22.947 1.00 0.00 C ATOM 0 H THR A 76 -3.119 6.712 22.513 1.00 0.00 H new ATOM 0 HA THR A 76 -5.339 6.932 20.596 1.00 0.00 H new ATOM 0 HB THR A 76 -5.242 9.296 21.190 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.921 9.871 23.070 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.048 9.144 23.524 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.741 7.881 22.478 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.428 7.478 23.610 1.00 0.00 H new ATOM 1267 N LYS A 77 -4.153 8.205 18.755 1.00 0.00 N ATOM 1268 CA LYS A 77 -3.410 8.655 17.584 1.00 0.00 C ATOM 1269 C LYS A 77 -4.357 9.146 16.491 1.00 0.00 C ATOM 1270 O LYS A 77 -4.061 10.114 15.790 1.00 0.00 O ATOM 1271 CB LYS A 77 -2.517 7.528 17.054 1.00 0.00 C ATOM 1272 CG LYS A 77 -3.273 6.436 16.314 1.00 0.00 C ATOM 1273 CD LYS A 77 -3.390 6.754 14.833 1.00 0.00 C ATOM 1274 CE LYS A 77 -2.322 6.037 14.022 1.00 0.00 C ATOM 1275 NZ LYS A 77 -2.861 4.829 13.340 1.00 0.00 N ATOM 0 H LYS A 77 -5.167 8.223 18.644 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.777 9.491 17.883 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.769 7.955 16.386 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.979 7.081 17.890 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.760 5.483 16.444 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.268 6.324 16.744 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.377 6.463 14.474 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.301 7.830 14.683 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.911 6.720 13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.501 5.748 14.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.102 4.369 12.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.231 4.165 14.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.627 5.108 12.695 1.00 0.00 H new ATOM 1289 N ASP A 78 -5.496 8.476 16.354 1.00 0.00 N ATOM 1290 CA ASP A 78 -6.487 8.849 15.349 1.00 0.00 C ATOM 1291 C ASP A 78 -7.864 9.015 15.982 1.00 0.00 C ATOM 1292 O ASP A 78 -8.329 8.145 16.718 1.00 0.00 O ATOM 1293 CB ASP A 78 -6.546 7.795 14.242 1.00 0.00 C ATOM 1294 CG ASP A 78 -5.594 8.099 13.102 1.00 0.00 C ATOM 1295 OD1 ASP A 78 -4.661 8.904 13.306 1.00 0.00 O ATOM 1296 OD2 ASP A 78 -5.782 7.533 12.005 1.00 0.00 O ATOM 0 H ASP A 78 -5.757 7.672 16.925 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.187 9.803 14.915 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.306 6.818 14.661 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.563 7.735 13.856 1.00 0.00 H new ATOM 1301 N HIS A 79 -8.512 10.138 15.690 1.00 0.00 N ATOM 1302 CA HIS A 79 -9.837 10.418 16.231 1.00 0.00 C ATOM 1303 C HIS A 79 -10.924 9.814 15.348 1.00 0.00 C ATOM 1304 O HIS A 79 -11.842 9.156 15.838 1.00 0.00 O ATOM 1305 CB HIS A 79 -10.049 11.928 16.361 1.00 0.00 C ATOM 1306 CG HIS A 79 -9.117 12.581 17.332 1.00 0.00 C ATOM 1307 ND1 HIS A 79 -9.549 13.239 18.464 1.00 0.00 N ATOM 1308 CD2 HIS A 79 -7.766 12.676 17.338 1.00 0.00 C ATOM 1309 CE1 HIS A 79 -8.506 13.711 19.124 1.00 0.00 C ATOM 1310 NE2 HIS A 79 -7.412 13.382 18.462 1.00 0.00 N ATOM 0 H HIS A 79 -8.141 10.868 15.082 1.00 0.00 H new ATOM 0 HA HIS A 79 -9.902 9.963 17.219 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.923 12.390 15.382 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.076 12.117 16.673 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.092 12.272 16.597 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.542 14.270 20.047 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.459 13.614 18.740 1.00 0.00 H new ATOM 1319 N GLY A 80 -10.813 10.042 14.043 1.00 0.00 N ATOM 1320 CA GLY A 80 -11.793 9.514 13.112 1.00 0.00 C ATOM 1321 C GLY A 80 -11.757 10.218 11.770 1.00 0.00 C ATOM 1322 O GLY A 80 -11.766 11.447 11.707 1.00 0.00 O ATOM 0 H GLY A 80 -10.062 10.583 13.614 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.613 8.449 12.965 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.789 9.612 13.544 1.00 0.00 H new ATOM 1326 N TYR A 81 -11.716 9.439 10.696 1.00 0.00 N ATOM 1327 CA TYR A 81 -11.677 9.995 9.348 1.00 0.00 C ATOM 1328 C TYR A 81 -13.025 10.601 8.971 1.00 0.00 C ATOM 1329 O TYR A 81 -14.077 10.089 9.356 1.00 0.00 O ATOM 1330 CB TYR A 81 -11.291 8.914 8.338 1.00 0.00 C ATOM 1331 CG TYR A 81 -12.240 7.737 8.318 1.00 0.00 C ATOM 1332 CD1 TYR A 81 -13.377 7.751 7.520 1.00 0.00 C ATOM 1333 CD2 TYR A 81 -12.000 6.613 9.097 1.00 0.00 C ATOM 1334 CE1 TYR A 81 -14.248 6.679 7.499 1.00 0.00 C ATOM 1335 CE2 TYR A 81 -12.865 5.536 9.081 1.00 0.00 C ATOM 1336 CZ TYR A 81 -13.987 5.572 8.280 1.00 0.00 C ATOM 1337 OH TYR A 81 -14.851 4.503 8.261 1.00 0.00 O ATOM 0 H TYR A 81 -11.709 8.420 10.732 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.925 10.784 9.329 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.253 9.356 7.342 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.287 8.557 8.567 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -13.584 8.615 6.905 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.123 6.580 9.726 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -15.129 6.707 6.874 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -12.663 4.669 9.693 1.00 0.00 H new ATOM 0 HH TYR A 81 -14.499 3.809 7.665 1.00 0.00 H new ATOM 1347 N THR A 82 -12.986 11.694 8.216 1.00 0.00 N ATOM 1348 CA THR A 82 -14.205 12.370 7.785 1.00 0.00 C ATOM 1349 C THR A 82 -14.436 12.172 6.292 1.00 0.00 C ATOM 1350 O THR A 82 -15.564 11.959 5.848 1.00 0.00 O ATOM 1351 CB THR A 82 -14.127 13.862 8.110 1.00 0.00 C ATOM 1352 OG1 THR A 82 -13.812 14.063 9.476 1.00 0.00 O ATOM 1353 CG2 THR A 82 -15.414 14.606 7.821 1.00 0.00 C ATOM 0 H THR A 82 -12.124 12.131 7.890 1.00 0.00 H new ATOM 0 HA THR A 82 -15.045 11.933 8.324 1.00 0.00 H new ATOM 0 HB THR A 82 -13.344 14.257 7.463 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.765 15.024 9.663 1.00 0.00 H new ATOM 0 HG21 THR A 82 -15.290 15.659 8.074 1.00 0.00 H new ATOM 0 HG22 THR A 82 -15.658 14.513 6.763 1.00 0.00 H new ATOM 0 HG23 THR A 82 -16.221 14.182 8.418 1.00 0.00 H new ATOM 1361 N THR A 83 -13.357 12.245 5.523 1.00 0.00 N ATOM 1362 CA THR A 83 -13.433 12.075 4.075 1.00 0.00 C ATOM 1363 C THR A 83 -12.049 11.817 3.488 1.00 0.00 C ATOM 1364 O THR A 83 -11.057 12.388 3.942 1.00 0.00 O ATOM 1365 CB THR A 83 -14.055 13.312 3.423 1.00 0.00 C ATOM 1366 OG1 THR A 83 -14.714 14.114 4.388 1.00 0.00 O ATOM 1367 CG2 THR A 83 -15.061 12.976 2.343 1.00 0.00 C ATOM 0 H THR A 83 -12.417 12.421 5.877 1.00 0.00 H new ATOM 0 HA THR A 83 -14.065 11.211 3.868 1.00 0.00 H new ATOM 0 HB THR A 83 -13.221 13.848 2.969 1.00 0.00 H new ATOM 0 HG1 THR A 83 -15.103 14.900 3.950 1.00 0.00 H new ATOM 0 HG21 THR A 83 -15.464 13.897 1.922 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.572 12.401 1.557 1.00 0.00 H new ATOM 0 HG23 THR A 83 -15.872 12.388 2.772 1.00 0.00 H new ATOM 1375 N LEU A 84 -11.990 10.958 2.476 1.00 0.00 N ATOM 1376 CA LEU A 84 -10.727 10.630 1.830 1.00 0.00 C ATOM 1377 C LEU A 84 -10.957 9.906 0.509 1.00 0.00 C ATOM 1378 O LEU A 84 -10.162 9.053 0.114 1.00 0.00 O ATOM 1379 CB LEU A 84 -9.848 9.774 2.754 1.00 0.00 C ATOM 1380 CG LEU A 84 -10.535 8.568 3.412 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -11.569 9.023 4.429 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -11.175 7.664 2.365 1.00 0.00 C ATOM 0 H LEU A 84 -12.801 10.478 2.087 1.00 0.00 H new ATOM 0 HA LEU A 84 -10.209 11.567 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.996 9.412 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.452 10.415 3.541 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.771 7.993 3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.042 8.152 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.081 9.615 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.326 9.630 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -11.654 6.818 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.921 8.228 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.408 7.299 1.682 1.00 0.00 H new ATOM 1394 N ALA A 85 -12.049 10.243 -0.171 1.00 0.00 N ATOM 1395 CA ALA A 85 -12.368 9.608 -1.443 1.00 0.00 C ATOM 1396 C ALA A 85 -11.947 10.474 -2.624 1.00 0.00 C ATOM 1397 O ALA A 85 -12.698 10.638 -3.586 1.00 0.00 O ATOM 1398 CB ALA A 85 -13.854 9.280 -1.523 1.00 0.00 C ATOM 0 H ALA A 85 -12.722 10.946 0.135 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.802 8.678 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.071 8.807 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.121 8.601 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.435 10.198 -1.432 1.00 0.00 H new ATOM 1404 N THR A 86 -10.736 11.015 -2.553 1.00 0.00 N ATOM 1405 CA THR A 86 -10.210 11.848 -3.626 1.00 0.00 C ATOM 1406 C THR A 86 -9.051 11.145 -4.321 1.00 0.00 C ATOM 1407 O THR A 86 -8.923 11.193 -5.544 1.00 0.00 O ATOM 1408 CB THR A 86 -9.752 13.200 -3.077 1.00 0.00 C ATOM 1409 OG1 THR A 86 -9.429 13.099 -1.701 1.00 0.00 O ATOM 1410 CG2 THR A 86 -10.792 14.290 -3.225 1.00 0.00 C ATOM 0 H THR A 86 -10.101 10.891 -1.764 1.00 0.00 H new ATOM 0 HA THR A 86 -11.005 12.018 -4.353 1.00 0.00 H new ATOM 0 HB THR A 86 -8.878 13.471 -3.670 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.137 13.973 -1.369 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.403 15.222 -2.816 1.00 0.00 H new ATOM 0 HG22 THR A 86 -11.027 14.427 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 86 -11.696 14.006 -2.686 1.00 0.00 H new ATOM 1418 N SER A 87 -8.218 10.480 -3.528 1.00 0.00 N ATOM 1419 CA SER A 87 -7.073 9.749 -4.058 1.00 0.00 C ATOM 1420 C SER A 87 -6.587 8.702 -3.062 1.00 0.00 C ATOM 1421 O SER A 87 -5.965 9.033 -2.053 1.00 0.00 O ATOM 1422 CB SER A 87 -5.935 10.707 -4.406 1.00 0.00 C ATOM 1423 OG SER A 87 -6.410 12.034 -4.558 1.00 0.00 O ATOM 0 H SER A 87 -8.315 10.432 -2.514 1.00 0.00 H new ATOM 0 HA SER A 87 -7.394 9.240 -4.967 1.00 0.00 H new ATOM 0 HB2 SER A 87 -5.178 10.676 -3.622 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.452 10.383 -5.328 1.00 0.00 H new ATOM 0 HG SER A 87 -5.661 12.626 -4.779 1.00 0.00 H new ATOM 1429 N VAL A 88 -6.865 7.438 -3.356 1.00 0.00 N ATOM 1430 CA VAL A 88 -6.446 6.342 -2.491 1.00 0.00 C ATOM 1431 C VAL A 88 -5.474 5.424 -3.226 1.00 0.00 C ATOM 1432 O VAL A 88 -5.811 4.848 -4.261 1.00 0.00 O ATOM 1433 CB VAL A 88 -7.656 5.520 -1.991 1.00 0.00 C ATOM 1434 CG1 VAL A 88 -7.204 4.335 -1.147 1.00 0.00 C ATOM 1435 CG2 VAL A 88 -8.608 6.406 -1.203 1.00 0.00 C ATOM 0 H VAL A 88 -7.379 7.146 -4.187 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.948 6.781 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.183 5.129 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.076 3.775 -0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.565 3.685 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.647 4.696 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.455 5.813 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.086 6.828 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.967 7.213 -1.842 1.00 0.00 H new ATOM 1445 N THR A 89 -4.265 5.301 -2.689 1.00 0.00 N ATOM 1446 CA THR A 89 -3.241 4.462 -3.299 1.00 0.00 C ATOM 1447 C THR A 89 -3.271 3.053 -2.720 1.00 0.00 C ATOM 1448 O THR A 89 -3.347 2.870 -1.506 1.00 0.00 O ATOM 1449 CB THR A 89 -1.858 5.081 -3.091 1.00 0.00 C ATOM 1450 OG1 THR A 89 -1.553 5.175 -1.711 1.00 0.00 O ATOM 1451 CG2 THR A 89 -1.727 6.467 -3.686 1.00 0.00 C ATOM 0 H THR A 89 -3.971 5.771 -1.833 1.00 0.00 H new ATOM 0 HA THR A 89 -3.449 4.398 -4.367 1.00 0.00 H new ATOM 0 HB THR A 89 -1.164 4.416 -3.604 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.742 5.712 -1.591 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.722 6.848 -3.503 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.907 6.420 -4.760 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.457 7.132 -3.224 1.00 0.00 H new ATOM 1459 N LEU A 90 -3.210 2.059 -3.600 1.00 0.00 N ATOM 1460 CA LEU A 90 -3.226 0.663 -3.181 1.00 0.00 C ATOM 1461 C LEU A 90 -1.913 -0.024 -3.537 1.00 0.00 C ATOM 1462 O LEU A 90 -1.304 0.274 -4.566 1.00 0.00 O ATOM 1463 CB LEU A 90 -4.394 -0.075 -3.835 1.00 0.00 C ATOM 1464 CG LEU A 90 -5.741 0.085 -3.125 1.00 0.00 C ATOM 1465 CD1 LEU A 90 -6.615 1.092 -3.856 1.00 0.00 C ATOM 1466 CD2 LEU A 90 -6.450 -1.256 -3.016 1.00 0.00 C ATOM 0 H LEU A 90 -3.149 2.195 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.350 0.635 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.497 0.277 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.151 -1.136 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.555 0.459 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.568 1.192 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.113 2.059 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.792 0.748 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.405 -1.122 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.622 -1.659 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.831 -1.950 -2.447 1.00 0.00 H new ATOM 1478 N LEU A 91 -1.480 -0.941 -2.679 1.00 0.00 N ATOM 1479 CA LEU A 91 -0.236 -1.668 -2.901 1.00 0.00 C ATOM 1480 C LEU A 91 -0.415 -3.158 -2.623 1.00 0.00 C ATOM 1481 O LEU A 91 -1.338 -3.560 -1.913 1.00 0.00 O ATOM 1482 CB LEU A 91 0.866 -1.096 -2.013 1.00 0.00 C ATOM 1483 CG LEU A 91 1.900 -0.231 -2.737 1.00 0.00 C ATOM 1484 CD1 LEU A 91 2.262 0.986 -1.900 1.00 0.00 C ATOM 1485 CD2 LEU A 91 3.144 -1.045 -3.059 1.00 0.00 C ATOM 0 H LEU A 91 -1.972 -1.198 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 91 0.048 -1.551 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.404 -0.500 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.384 -1.922 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 91 1.462 0.115 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.998 1.588 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.368 1.583 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.680 0.661 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.869 -0.414 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.582 -1.421 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.874 -1.884 -3.700 1.00 0.00 H new ATOM 1497 N LYS A 92 0.474 -3.974 -3.184 1.00 0.00 N ATOM 1498 CA LYS A 92 0.410 -5.419 -2.991 1.00 0.00 C ATOM 1499 C LYS A 92 0.929 -5.803 -1.608 1.00 0.00 C ATOM 1500 O LYS A 92 2.070 -5.499 -1.257 1.00 0.00 O ATOM 1501 CB LYS A 92 1.227 -6.132 -4.071 1.00 0.00 C ATOM 1502 CG LYS A 92 0.611 -6.040 -5.456 1.00 0.00 C ATOM 1503 CD LYS A 92 -0.704 -6.795 -5.542 1.00 0.00 C ATOM 1504 CE LYS A 92 -0.646 -7.922 -6.559 1.00 0.00 C ATOM 1505 NZ LYS A 92 0.040 -7.507 -7.814 1.00 0.00 N ATOM 0 H LYS A 92 1.245 -3.660 -3.774 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.632 -5.729 -3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.229 -5.705 -4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.336 -7.182 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.446 -4.993 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.309 -6.441 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.953 -7.203 -4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.502 -6.104 -5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.124 -8.775 -6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.658 -8.253 -6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.409 -7.976 -8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.034 -6.476 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.043 -7.779 -7.768 1.00 0.00 H new ATOM 1519 N ALA A 93 0.087 -6.476 -0.829 1.00 0.00 N ATOM 1520 CA ALA A 93 0.462 -6.903 0.517 1.00 0.00 C ATOM 1521 C ALA A 93 1.789 -7.652 0.506 1.00 0.00 C ATOM 1522 O ALA A 93 2.592 -7.530 1.432 1.00 0.00 O ATOM 1523 CB ALA A 93 -0.630 -7.776 1.118 1.00 0.00 C ATOM 0 H ALA A 93 -0.859 -6.738 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 93 0.581 -6.011 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.337 -8.087 2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.560 -7.210 1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.776 -8.657 0.493 1.00 0.00 H new ATOM 1529 N SER A 94 2.012 -8.427 -0.549 1.00 0.00 N ATOM 1530 CA SER A 94 3.241 -9.198 -0.687 1.00 0.00 C ATOM 1531 C SER A 94 4.452 -8.280 -0.823 1.00 0.00 C ATOM 1532 O SER A 94 5.520 -8.562 -0.282 1.00 0.00 O ATOM 1533 CB SER A 94 3.151 -10.128 -1.898 1.00 0.00 C ATOM 1534 OG SER A 94 2.395 -11.287 -1.597 1.00 0.00 O ATOM 0 H SER A 94 1.356 -8.538 -1.322 1.00 0.00 H new ATOM 0 HA SER A 94 3.365 -9.798 0.215 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.693 -9.599 -2.734 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.154 -10.416 -2.214 1.00 0.00 H new ATOM 0 HG SER A 94 2.351 -11.864 -2.388 1.00 0.00 H new ATOM 1540 N GLU A 95 4.278 -7.179 -1.551 1.00 0.00 N ATOM 1541 CA GLU A 95 5.362 -6.225 -1.754 1.00 0.00 C ATOM 1542 C GLU A 95 5.709 -5.519 -0.449 1.00 0.00 C ATOM 1543 O GLU A 95 6.876 -5.447 -0.058 1.00 0.00 O ATOM 1544 CB GLU A 95 4.971 -5.197 -2.818 1.00 0.00 C ATOM 1545 CG GLU A 95 5.508 -5.522 -4.204 1.00 0.00 C ATOM 1546 CD GLU A 95 4.454 -6.129 -5.110 1.00 0.00 C ATOM 1547 OE1 GLU A 95 4.154 -5.522 -6.160 1.00 0.00 O ATOM 1548 OE2 GLU A 95 3.929 -7.209 -4.769 1.00 0.00 O ATOM 0 H GLU A 95 3.401 -6.928 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 95 6.240 -6.773 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.884 -5.130 -2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.338 -4.216 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.895 -4.612 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.345 -6.214 -4.112 1.00 0.00 H new ATOM 1555 N VAL A 96 4.686 -5.010 0.228 1.00 0.00 N ATOM 1556 CA VAL A 96 4.882 -4.319 1.494 1.00 0.00 C ATOM 1557 C VAL A 96 5.450 -5.266 2.539 1.00 0.00 C ATOM 1558 O VAL A 96 6.420 -4.946 3.223 1.00 0.00 O ATOM 1559 CB VAL A 96 3.565 -3.718 2.020 1.00 0.00 C ATOM 1560 CG1 VAL A 96 3.832 -2.804 3.205 1.00 0.00 C ATOM 1561 CG2 VAL A 96 2.836 -2.971 0.914 1.00 0.00 C ATOM 0 H VAL A 96 3.715 -5.063 -0.079 1.00 0.00 H new ATOM 0 HA VAL A 96 5.588 -3.509 1.312 1.00 0.00 H new ATOM 0 HB VAL A 96 2.925 -4.534 2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.890 -2.388 3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.305 -3.374 4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.493 -1.993 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.908 -2.554 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.468 -2.164 0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.609 -3.658 0.099 1.00 0.00 H new ATOM 1571 N GLU A 97 4.840 -6.440 2.647 1.00 0.00 N ATOM 1572 CA GLU A 97 5.282 -7.447 3.604 1.00 0.00 C ATOM 1573 C GLU A 97 6.760 -7.764 3.409 1.00 0.00 C ATOM 1574 O GLU A 97 7.513 -7.875 4.374 1.00 0.00 O ATOM 1575 CB GLU A 97 4.449 -8.722 3.459 1.00 0.00 C ATOM 1576 CG GLU A 97 3.209 -8.742 4.338 1.00 0.00 C ATOM 1577 CD GLU A 97 3.271 -9.811 5.411 1.00 0.00 C ATOM 1578 OE1 GLU A 97 3.974 -9.598 6.421 1.00 0.00 O ATOM 1579 OE2 GLU A 97 2.617 -10.861 5.241 1.00 0.00 O ATOM 0 H GLU A 97 4.037 -6.718 2.083 1.00 0.00 H new ATOM 0 HA GLU A 97 5.143 -7.047 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.148 -8.833 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.072 -9.583 3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.087 -7.767 4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.330 -8.908 3.716 1.00 0.00 H new ATOM 1586 N GLU A 98 7.169 -7.912 2.152 1.00 0.00 N ATOM 1587 CA GLU A 98 8.553 -8.216 1.831 1.00 0.00 C ATOM 1588 C GLU A 98 9.486 -7.110 2.320 1.00 0.00 C ATOM 1589 O GLU A 98 10.495 -7.373 2.984 1.00 0.00 O ATOM 1590 CB GLU A 98 8.693 -8.380 0.318 1.00 0.00 C ATOM 1591 CG GLU A 98 9.235 -9.730 -0.099 1.00 0.00 C ATOM 1592 CD GLU A 98 8.499 -10.314 -1.290 1.00 0.00 C ATOM 1593 OE1 GLU A 98 7.250 -10.305 -1.279 1.00 0.00 O ATOM 1594 OE2 GLU A 98 9.173 -10.779 -2.234 1.00 0.00 O ATOM 0 H GLU A 98 6.557 -7.825 1.340 1.00 0.00 H new ATOM 0 HA GLU A 98 8.833 -9.142 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.718 -8.230 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.352 -7.600 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.293 -9.633 -0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.164 -10.421 0.741 1.00 0.00 H new ATOM 1601 N ILE A 99 9.136 -5.865 2.010 1.00 0.00 N ATOM 1602 CA ILE A 99 9.945 -4.733 2.437 1.00 0.00 C ATOM 1603 C ILE A 99 9.997 -4.682 3.955 1.00 0.00 C ATOM 1604 O ILE A 99 11.041 -4.405 4.546 1.00 0.00 O ATOM 1605 CB ILE A 99 9.417 -3.394 1.886 1.00 0.00 C ATOM 1606 CG1 ILE A 99 9.123 -3.504 0.387 1.00 0.00 C ATOM 1607 CG2 ILE A 99 10.430 -2.287 2.142 1.00 0.00 C ATOM 1608 CD1 ILE A 99 7.957 -2.652 -0.066 1.00 0.00 C ATOM 0 H ILE A 99 8.306 -5.618 1.470 1.00 0.00 H new ATOM 0 HA ILE A 99 10.947 -4.877 2.033 1.00 0.00 H new ATOM 0 HB ILE A 99 8.488 -3.151 2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.013 -3.214 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.918 -4.546 0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.047 -1.345 1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.600 -2.190 3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.369 -2.532 1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.807 -2.780 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.055 -2.957 0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.167 -1.604 0.148 1.00 0.00 H new ATOM 1620 N LEU A 100 8.862 -4.976 4.580 1.00 0.00 N ATOM 1621 CA LEU A 100 8.776 -4.991 6.034 1.00 0.00 C ATOM 1622 C LEU A 100 9.605 -6.141 6.596 1.00 0.00 C ATOM 1623 O LEU A 100 10.195 -6.030 7.670 1.00 0.00 O ATOM 1624 CB LEU A 100 7.320 -5.126 6.482 1.00 0.00 C ATOM 1625 CG LEU A 100 6.427 -3.926 6.161 1.00 0.00 C ATOM 1626 CD1 LEU A 100 5.083 -4.066 6.854 1.00 0.00 C ATOM 1627 CD2 LEU A 100 7.108 -2.627 6.566 1.00 0.00 C ATOM 0 H LEU A 100 7.991 -5.207 4.103 1.00 0.00 H new ATOM 0 HA LEU A 100 9.171 -4.049 6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.893 -6.012 6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.302 -5.295 7.559 1.00 0.00 H new ATOM 0 HG LEU A 100 6.258 -3.900 5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.459 -3.204 6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.590 -4.976 6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.233 -4.118 7.932 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.457 -1.786 6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.309 -2.640 7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.047 -2.523 6.022 1.00 0.00 H new ATOM 1639 N ASP A 101 9.660 -7.240 5.847 1.00 0.00 N ATOM 1640 CA ASP A 101 10.435 -8.408 6.252 1.00 0.00 C ATOM 1641 C ASP A 101 11.917 -8.172 5.980 1.00 0.00 C ATOM 1642 O ASP A 101 12.779 -8.903 6.471 1.00 0.00 O ATOM 1643 CB ASP A 101 9.955 -9.653 5.502 1.00 0.00 C ATOM 1644 CG ASP A 101 10.200 -10.929 6.285 1.00 0.00 C ATOM 1645 OD1 ASP A 101 9.570 -11.102 7.349 1.00 0.00 O ATOM 1646 OD2 ASP A 101 11.023 -11.752 5.834 1.00 0.00 O ATOM 0 H ASP A 101 9.176 -7.345 4.955 1.00 0.00 H new ATOM 0 HA ASP A 101 10.292 -8.568 7.321 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.890 -9.558 5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.467 -9.715 4.542 1.00 0.00 H new ATOM 1651 N GLY A 102 12.199 -7.138 5.192 1.00 0.00 N ATOM 1652 CA GLY A 102 13.566 -6.796 4.852 1.00 0.00 C ATOM 1653 C GLY A 102 13.955 -7.262 3.466 1.00 0.00 C ATOM 1654 O GLY A 102 15.092 -7.071 3.035 1.00 0.00 O ATOM 0 H GLY A 102 11.495 -6.526 4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.693 -5.715 4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.241 -7.241 5.584 1.00 0.00 H new ATOM 1658 N ASN A 103 12.997 -7.835 2.746 1.00 0.00 N ATOM 1659 CA ASN A 103 13.237 -8.278 1.384 1.00 0.00 C ATOM 1660 C ASN A 103 12.588 -7.295 0.419 1.00 0.00 C ATOM 1661 O ASN A 103 11.365 -7.205 0.351 1.00 0.00 O ATOM 1662 CB ASN A 103 12.673 -9.684 1.167 1.00 0.00 C ATOM 1663 CG ASN A 103 13.178 -10.318 -0.115 1.00 0.00 C ATOM 1664 OD1 ASN A 103 12.676 -9.840 -1.248 1.00 0.00 O flip ATOM 1665 ND2 ASN A 103 14.009 -11.225 -0.087 1.00 0.00 N flip ATOM 0 H ASN A 103 12.050 -8.002 3.085 1.00 0.00 H new ATOM 0 HA ASN A 103 14.311 -8.314 1.202 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.944 -10.316 2.013 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.584 -9.636 1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 103 14.367 -11.561 0.807 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.340 -11.641 -0.958 1.00 0.00 H new ATOM 1672 N ASP A 104 13.398 -6.548 -0.315 1.00 0.00 N ATOM 1673 CA ASP A 104 12.858 -5.569 -1.253 1.00 0.00 C ATOM 1674 C ASP A 104 13.920 -5.030 -2.208 1.00 0.00 C ATOM 1675 O ASP A 104 13.717 -3.998 -2.846 1.00 0.00 O ATOM 1676 CB ASP A 104 12.228 -4.409 -0.479 1.00 0.00 C ATOM 1677 CG ASP A 104 13.202 -3.762 0.484 1.00 0.00 C ATOM 1678 OD1 ASP A 104 13.609 -2.608 0.232 1.00 0.00 O ATOM 1679 OD2 ASP A 104 13.558 -4.407 1.493 1.00 0.00 O ATOM 0 H ASP A 104 14.416 -6.597 -0.283 1.00 0.00 H new ATOM 0 HA ASP A 104 12.105 -6.076 -1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.866 -3.660 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.362 -4.772 0.074 1.00 0.00 H new ATOM 1684 N GLU A 105 15.042 -5.728 -2.311 1.00 0.00 N ATOM 1685 CA GLU A 105 16.126 -5.308 -3.192 1.00 0.00 C ATOM 1686 C GLU A 105 15.647 -5.210 -4.635 1.00 0.00 C ATOM 1687 O GLU A 105 16.038 -4.304 -5.371 1.00 0.00 O ATOM 1688 CB GLU A 105 17.299 -6.287 -3.095 1.00 0.00 C ATOM 1689 CG GLU A 105 18.348 -5.879 -2.075 1.00 0.00 C ATOM 1690 CD GLU A 105 19.197 -4.715 -2.546 1.00 0.00 C ATOM 1691 OE1 GLU A 105 20.101 -4.939 -3.379 1.00 0.00 O ATOM 1692 OE2 GLU A 105 18.960 -3.579 -2.082 1.00 0.00 O ATOM 0 H GLU A 105 15.227 -6.589 -1.796 1.00 0.00 H new ATOM 0 HA GLU A 105 16.459 -4.321 -2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.917 -7.274 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.771 -6.374 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 105 17.856 -5.610 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 105 18.993 -6.731 -1.862 1.00 0.00 H new ATOM 1699 N LYS A 106 14.796 -6.147 -5.030 1.00 0.00 N ATOM 1700 CA LYS A 106 14.258 -6.169 -6.383 1.00 0.00 C ATOM 1701 C LYS A 106 13.268 -5.027 -6.596 1.00 0.00 C ATOM 1702 O LYS A 106 12.998 -4.631 -7.730 1.00 0.00 O ATOM 1703 CB LYS A 106 13.575 -7.509 -6.661 1.00 0.00 C ATOM 1704 CG LYS A 106 12.378 -7.779 -5.764 1.00 0.00 C ATOM 1705 CD LYS A 106 11.755 -9.134 -6.059 1.00 0.00 C ATOM 1706 CE LYS A 106 12.534 -10.260 -5.400 1.00 0.00 C ATOM 1707 NZ LYS A 106 12.455 -11.524 -6.184 1.00 0.00 N ATOM 0 H LYS A 106 14.463 -6.903 -4.432 1.00 0.00 H new ATOM 0 HA LYS A 106 15.088 -6.040 -7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 106 13.252 -7.534 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 106 14.302 -8.311 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.688 -7.740 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.633 -6.996 -5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.724 -9.147 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.723 -9.294 -7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.578 -9.965 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.146 -10.431 -4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.999 -12.267 -5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.461 -11.820 -6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 12.849 -11.369 -7.134 1.00 0.00 H new ATOM 1721 N TYR A 107 12.721 -4.504 -5.500 1.00 0.00 N ATOM 1722 CA TYR A 107 11.761 -3.419 -5.571 1.00 0.00 C ATOM 1723 C TYR A 107 12.454 -2.061 -5.649 1.00 0.00 C ATOM 1724 O TYR A 107 12.058 -1.194 -6.428 1.00 0.00 O ATOM 1725 CB TYR A 107 10.857 -3.444 -4.344 1.00 0.00 C ATOM 1726 CG TYR A 107 10.099 -4.734 -4.139 1.00 0.00 C ATOM 1727 CD1 TYR A 107 9.428 -5.350 -5.187 1.00 0.00 C ATOM 1728 CD2 TYR A 107 10.039 -5.324 -2.884 1.00 0.00 C ATOM 1729 CE1 TYR A 107 8.719 -6.519 -4.988 1.00 0.00 C ATOM 1730 CE2 TYR A 107 9.336 -6.493 -2.677 1.00 0.00 C ATOM 1731 CZ TYR A 107 8.675 -7.086 -3.732 1.00 0.00 C ATOM 1732 OH TYR A 107 7.970 -8.251 -3.530 1.00 0.00 O ATOM 0 H TYR A 107 12.931 -4.819 -4.553 1.00 0.00 H new ATOM 0 HA TYR A 107 11.171 -3.560 -6.477 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.464 -3.252 -3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.140 -2.627 -4.422 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.461 -4.909 -6.172 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.552 -4.860 -2.055 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.202 -6.987 -5.813 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.304 -6.941 -1.695 1.00 0.00 H new ATOM 0 HH TYR A 107 8.559 -9.020 -3.679 1.00 0.00 H new ATOM 1742 N LYS A 108 13.474 -1.874 -4.816 1.00 0.00 N ATOM 1743 CA LYS A 108 14.207 -0.606 -4.771 1.00 0.00 C ATOM 1744 C LYS A 108 14.943 -0.334 -6.083 1.00 0.00 C ATOM 1745 O LYS A 108 15.288 0.811 -6.378 1.00 0.00 O ATOM 1746 CB LYS A 108 15.217 -0.577 -3.611 1.00 0.00 C ATOM 1747 CG LYS A 108 15.024 -1.662 -2.564 1.00 0.00 C ATOM 1748 CD LYS A 108 15.830 -1.375 -1.308 1.00 0.00 C ATOM 1749 CE LYS A 108 15.451 -0.038 -0.692 1.00 0.00 C ATOM 1750 NZ LYS A 108 16.570 0.943 -0.764 1.00 0.00 N ATOM 0 H LYS A 108 13.813 -2.581 -4.163 1.00 0.00 H new ATOM 0 HA LYS A 108 13.463 0.174 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.223 -0.665 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 108 15.157 0.395 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.967 -1.739 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.323 -2.625 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 108 15.667 -2.170 -0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.893 -1.377 -1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.580 0.366 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.164 -0.186 0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.272 1.842 -0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.393 0.569 -0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.827 1.104 -1.759 1.00 0.00 H new ATOM 1764 N ALA A 109 15.201 -1.383 -6.857 1.00 0.00 N ATOM 1765 CA ALA A 109 15.919 -1.234 -8.119 1.00 0.00 C ATOM 1766 C ALA A 109 15.057 -1.609 -9.320 1.00 0.00 C ATOM 1767 O ALA A 109 15.579 -2.029 -10.352 1.00 0.00 O ATOM 1768 CB ALA A 109 17.178 -2.080 -8.101 1.00 0.00 C ATOM 0 H ALA A 109 14.926 -2.340 -6.635 1.00 0.00 H new ATOM 0 HA ALA A 109 16.183 -0.182 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 109 17.708 -1.963 -9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 109 17.821 -1.758 -7.282 1.00 0.00 H new ATOM 0 HB3 ALA A 109 16.911 -3.127 -7.962 1.00 0.00 H new ATOM 1774 N VAL A 110 13.743 -1.454 -9.183 1.00 0.00 N ATOM 1775 CA VAL A 110 12.813 -1.776 -10.266 1.00 0.00 C ATOM 1776 C VAL A 110 13.185 -3.091 -10.952 1.00 0.00 C ATOM 1777 O VAL A 110 12.950 -3.267 -12.148 1.00 0.00 O ATOM 1778 CB VAL A 110 12.767 -0.648 -11.319 1.00 0.00 C ATOM 1779 CG1 VAL A 110 14.094 -0.529 -12.054 1.00 0.00 C ATOM 1780 CG2 VAL A 110 11.626 -0.880 -12.299 1.00 0.00 C ATOM 0 H VAL A 110 13.296 -1.108 -8.334 1.00 0.00 H new ATOM 0 HA VAL A 110 11.827 -1.881 -9.813 1.00 0.00 H new ATOM 0 HB VAL A 110 12.589 0.293 -10.799 1.00 0.00 H new ATOM 0 HG11 VAL A 110 14.032 0.273 -12.789 1.00 0.00 H new ATOM 0 HG12 VAL A 110 14.887 -0.306 -11.340 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.315 -1.469 -12.560 1.00 0.00 H new ATOM 0 HG21 VAL A 110 11.609 -0.075 -13.034 1.00 0.00 H new ATOM 0 HG22 VAL A 110 11.771 -1.833 -12.808 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.680 -0.898 -11.758 1.00 0.00 H new ATOM 1790 N SER A 111 13.773 -4.006 -10.188 1.00 0.00 N ATOM 1791 CA SER A 111 14.186 -5.299 -10.724 1.00 0.00 C ATOM 1792 C SER A 111 12.978 -6.139 -11.126 1.00 0.00 C ATOM 1793 O SER A 111 11.993 -6.221 -10.392 1.00 0.00 O ATOM 1794 CB SER A 111 15.027 -6.056 -9.693 1.00 0.00 C ATOM 1795 OG SER A 111 15.917 -5.182 -9.020 1.00 0.00 O ATOM 0 H SER A 111 13.974 -3.877 -9.196 1.00 0.00 H new ATOM 0 HA SER A 111 14.788 -5.117 -11.614 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.371 -6.540 -8.969 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.593 -6.845 -10.189 1.00 0.00 H new ATOM 0 HG SER A 111 16.643 -5.702 -8.615 1.00 0.00 H new ATOM 1801 N ILE A 112 13.064 -6.760 -12.297 1.00 0.00 N ATOM 1802 CA ILE A 112 11.982 -7.595 -12.802 1.00 0.00 C ATOM 1803 C ILE A 112 12.363 -8.244 -14.131 1.00 0.00 C ATOM 1804 O ILE A 112 11.551 -8.319 -15.053 1.00 0.00 O ATOM 1805 CB ILE A 112 10.686 -6.780 -12.982 1.00 0.00 C ATOM 1806 CG1 ILE A 112 9.521 -7.703 -13.345 1.00 0.00 C ATOM 1807 CG2 ILE A 112 10.872 -5.706 -14.045 1.00 0.00 C ATOM 1808 CD1 ILE A 112 8.192 -7.249 -12.782 1.00 0.00 C ATOM 0 H ILE A 112 13.873 -6.700 -12.915 1.00 0.00 H new ATOM 0 HA ILE A 112 11.807 -8.377 -12.063 1.00 0.00 H new ATOM 0 HB ILE A 112 10.454 -6.288 -12.038 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.444 -7.767 -14.430 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.737 -8.707 -12.981 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.946 -5.141 -14.158 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.674 -5.032 -13.745 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.129 -6.175 -14.995 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.412 -7.950 -13.079 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.251 -7.212 -11.694 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.954 -6.257 -13.166 1.00 0.00 H new ATOM 1820 N SER A 113 13.604 -8.710 -14.221 1.00 0.00 N ATOM 1821 CA SER A 113 14.093 -9.351 -15.436 1.00 0.00 C ATOM 1822 C SER A 113 14.116 -10.868 -15.278 1.00 0.00 C ATOM 1823 O SER A 113 13.493 -11.559 -16.112 1.00 0.00 O ATOM 1824 CB SER A 113 15.494 -8.842 -15.778 1.00 0.00 C ATOM 1825 OG SER A 113 15.434 -7.589 -16.439 1.00 0.00 O ATOM 1826 OXT SER A 113 14.757 -11.354 -14.322 1.00 0.00 O ATOM 0 H SER A 113 14.289 -8.656 -13.467 1.00 0.00 H new ATOM 0 HA SER A 113 13.413 -9.098 -16.250 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.083 -8.748 -14.866 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.003 -9.567 -16.412 1.00 0.00 H new ATOM 0 HG SER A 113 16.342 -7.284 -16.645 1.00 0.00 H new TER 1832 SER A 113