USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 524 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 THR OG1 : rot -18:sc= -0.145 USER MOD Single : A 16 THR OG1 : rot -170:sc= -0.359 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 67:sc= 1.16 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 29:sc= 0.739 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.226 F(o=-0.78,f=-0.23) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -139:sc= -0.726 (180deg=-3.13!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -123:sc= -0.0755 (180deg=-1.24) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -76:sc= 1.25 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0926 USER MOD Single : A 70 GLN : amide:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 73 SER OG : rot -33:sc= 0.0639 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 79.617 -1.977 18.021 1.00 0.00 N ATOM 2 CA THR A 13 78.817 -1.134 17.095 1.00 0.00 C ATOM 3 C THR A 13 78.221 -1.963 15.965 1.00 0.00 C ATOM 4 O THR A 13 78.945 -2.570 15.176 1.00 0.00 O ATOM 5 CB THR A 13 79.721 -0.041 16.525 1.00 0.00 C ATOM 6 OG1 THR A 13 81.037 -0.529 16.334 1.00 0.00 O ATOM 7 CG2 THR A 13 79.809 1.185 17.407 1.00 0.00 C ATOM 0 HA THR A 13 77.989 -0.689 17.647 1.00 0.00 H new ATOM 0 HB THR A 13 79.264 0.246 15.578 1.00 0.00 H new ATOM 0 HG1 THR A 13 81.161 -1.349 16.856 1.00 0.00 H new ATOM 0 HG21 THR A 13 80.466 1.921 16.943 1.00 0.00 H new ATOM 0 HG22 THR A 13 78.815 1.615 17.533 1.00 0.00 H new ATOM 0 HG23 THR A 13 80.209 0.904 18.381 1.00 0.00 H new ATOM 15 N PHE A 14 76.895 -1.981 15.891 1.00 0.00 N ATOM 16 CA PHE A 14 76.196 -2.732 14.855 1.00 0.00 C ATOM 17 C PHE A 14 76.402 -2.085 13.489 1.00 0.00 C ATOM 18 O PHE A 14 76.916 -2.713 12.564 1.00 0.00 O ATOM 19 CB PHE A 14 74.701 -2.812 15.176 1.00 0.00 C ATOM 20 CG PHE A 14 74.155 -4.210 15.142 1.00 0.00 C ATOM 21 CD1 PHE A 14 74.038 -4.892 13.941 1.00 0.00 C ATOM 22 CD2 PHE A 14 73.762 -4.844 16.310 1.00 0.00 C ATOM 23 CE1 PHE A 14 73.538 -6.179 13.906 1.00 0.00 C ATOM 24 CE2 PHE A 14 73.262 -6.131 16.281 1.00 0.00 C ATOM 25 CZ PHE A 14 73.149 -6.800 15.077 1.00 0.00 C ATOM 0 H PHE A 14 76.282 -1.484 16.537 1.00 0.00 H new ATOM 0 HA PHE A 14 76.608 -3.741 14.827 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.526 -2.386 16.164 1.00 0.00 H new ATOM 0 HB3 PHE A 14 74.151 -2.198 14.463 1.00 0.00 H new ATOM 0 HD1 PHE A 14 74.341 -4.412 13.022 1.00 0.00 H new ATOM 0 HD2 PHE A 14 73.848 -4.326 17.254 1.00 0.00 H new ATOM 0 HE1 PHE A 14 73.451 -6.700 12.964 1.00 0.00 H new ATOM 0 HE2 PHE A 14 72.960 -6.614 17.198 1.00 0.00 H new ATOM 0 HZ PHE A 14 72.757 -7.806 15.052 1.00 0.00 H new ATOM 35 N LEU A 15 75.998 -0.823 13.374 1.00 0.00 N ATOM 36 CA LEU A 15 76.136 -0.083 12.124 1.00 0.00 C ATOM 37 C LEU A 15 77.585 -0.088 11.644 1.00 0.00 C ATOM 38 O LEU A 15 77.865 -0.389 10.483 1.00 0.00 O ATOM 39 CB LEU A 15 75.654 1.359 12.303 1.00 0.00 C ATOM 40 CG LEU A 15 74.258 1.507 12.913 1.00 0.00 C ATOM 41 CD1 LEU A 15 73.913 2.977 13.104 1.00 0.00 C ATOM 42 CD2 LEU A 15 73.218 0.824 12.038 1.00 0.00 C ATOM 0 H LEU A 15 75.572 -0.291 14.133 1.00 0.00 H new ATOM 0 HA LEU A 15 75.520 -0.575 11.372 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.367 1.888 12.935 1.00 0.00 H new ATOM 0 HB3 LEU A 15 75.663 1.852 11.331 1.00 0.00 H new ATOM 0 HG LEU A 15 74.256 1.023 13.890 1.00 0.00 H new ATOM 0 HD11 LEU A 15 72.917 3.064 13.539 1.00 0.00 H new ATOM 0 HD12 LEU A 15 74.641 3.438 13.771 1.00 0.00 H new ATOM 0 HD13 LEU A 15 73.933 3.484 12.139 1.00 0.00 H new ATOM 0 HD21 LEU A 15 72.232 0.940 12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 15 73.221 1.279 11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 15 73.455 -0.236 11.951 1.00 0.00 H new ATOM 54 N THR A 16 78.504 0.247 12.546 1.00 0.00 N ATOM 55 CA THR A 16 79.925 0.282 12.217 1.00 0.00 C ATOM 56 C THR A 16 80.386 -1.056 11.647 1.00 0.00 C ATOM 57 O THR A 16 81.260 -1.104 10.781 1.00 0.00 O ATOM 58 CB THR A 16 80.748 0.630 13.457 1.00 0.00 C ATOM 59 OG1 THR A 16 80.236 1.788 14.091 1.00 0.00 O ATOM 60 CG2 THR A 16 82.210 0.881 13.152 1.00 0.00 C ATOM 0 H THR A 16 78.289 0.498 13.511 1.00 0.00 H new ATOM 0 HA THR A 16 80.077 1.051 11.460 1.00 0.00 H new ATOM 0 HB THR A 16 80.673 -0.241 14.108 1.00 0.00 H new ATOM 0 HG1 THR A 16 80.862 2.085 14.784 1.00 0.00 H new ATOM 0 HG21 THR A 16 82.738 1.123 14.075 1.00 0.00 H new ATOM 0 HG22 THR A 16 82.648 -0.013 12.707 1.00 0.00 H new ATOM 0 HG23 THR A 16 82.298 1.714 12.454 1.00 0.00 H new ATOM 68 N GLN A 17 79.791 -2.138 12.136 1.00 0.00 N ATOM 69 CA GLN A 17 80.140 -3.475 11.672 1.00 0.00 C ATOM 70 C GLN A 17 79.732 -3.672 10.214 1.00 0.00 C ATOM 71 O GLN A 17 80.240 -4.565 9.538 1.00 0.00 O ATOM 72 CB GLN A 17 79.471 -4.535 12.550 1.00 0.00 C ATOM 73 CG GLN A 17 80.006 -5.940 12.320 1.00 0.00 C ATOM 74 CD GLN A 17 79.074 -7.012 12.850 1.00 0.00 C ATOM 75 OE1 GLN A 17 78.566 -7.839 12.095 1.00 0.00 O ATOM 76 NE2 GLN A 17 78.845 -7.003 14.159 1.00 0.00 N ATOM 0 H GLN A 17 79.066 -2.115 12.853 1.00 0.00 H new ATOM 0 HA GLN A 17 81.222 -3.585 11.744 1.00 0.00 H new ATOM 0 HB2 GLN A 17 79.611 -4.269 13.598 1.00 0.00 H new ATOM 0 HB3 GLN A 17 78.398 -4.528 12.360 1.00 0.00 H new ATOM 0 HG2 GLN A 17 80.163 -6.095 11.253 1.00 0.00 H new ATOM 0 HG3 GLN A 17 80.979 -6.038 12.802 1.00 0.00 H new ATOM 0 HE21 GLN A 17 79.287 -6.299 14.749 1.00 0.00 H new ATOM 0 HE22 GLN A 17 78.227 -7.701 14.573 1.00 0.00 H new ATOM 85 N VAL A 18 78.815 -2.832 9.738 1.00 0.00 N ATOM 86 CA VAL A 18 78.338 -2.909 8.359 1.00 0.00 C ATOM 87 C VAL A 18 78.955 -1.805 7.507 1.00 0.00 C ATOM 88 O VAL A 18 79.260 -2.008 6.333 1.00 0.00 O ATOM 89 CB VAL A 18 76.803 -2.786 8.293 1.00 0.00 C ATOM 90 CG1 VAL A 18 76.306 -2.996 6.869 1.00 0.00 C ATOM 91 CG2 VAL A 18 76.146 -3.772 9.249 1.00 0.00 C ATOM 0 H VAL A 18 78.387 -2.088 10.289 1.00 0.00 H new ATOM 0 HA VAL A 18 78.639 -3.882 7.970 1.00 0.00 H new ATOM 0 HB VAL A 18 76.526 -1.778 8.601 1.00 0.00 H new ATOM 0 HG11 VAL A 18 75.220 -2.905 6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 18 76.747 -2.244 6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 18 76.594 -3.990 6.526 1.00 0.00 H new ATOM 0 HG21 VAL A 18 75.062 -3.670 9.188 1.00 0.00 H new ATOM 0 HG22 VAL A 18 76.431 -4.788 8.976 1.00 0.00 H new ATOM 0 HG23 VAL A 18 76.474 -3.564 10.268 1.00 0.00 H new ATOM 101 N LYS A 19 79.142 -0.638 8.113 1.00 0.00 N ATOM 102 CA LYS A 19 79.725 0.505 7.419 1.00 0.00 C ATOM 103 C LYS A 19 81.172 0.223 7.059 1.00 0.00 C ATOM 104 O LYS A 19 81.538 0.177 5.884 1.00 0.00 O ATOM 105 CB LYS A 19 79.653 1.746 8.302 1.00 0.00 C ATOM 106 CG LYS A 19 78.239 2.254 8.528 1.00 0.00 C ATOM 107 CD LYS A 19 78.236 3.574 9.282 1.00 0.00 C ATOM 108 CE LYS A 19 77.053 4.442 8.881 1.00 0.00 C ATOM 109 NZ LYS A 19 76.449 5.130 10.054 1.00 0.00 N ATOM 0 H LYS A 19 78.897 -0.458 9.087 1.00 0.00 H new ATOM 0 HA LYS A 19 79.158 0.679 6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 19 80.107 1.521 9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 19 80.246 2.539 7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 19 77.739 2.381 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 19 77.670 1.512 9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 19 78.201 3.382 10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 19 79.165 4.109 9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 19 77.378 5.184 8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 19 76.298 3.825 8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 75.646 5.712 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 76.116 4.421 10.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 77.162 5.739 10.505 1.00 0.00 H new ATOM 123 N GLU A 20 81.990 0.021 8.084 1.00 0.00 N ATOM 124 CA GLU A 20 83.402 -0.275 7.880 1.00 0.00 C ATOM 125 C GLU A 20 83.557 -1.530 7.029 1.00 0.00 C ATOM 126 O GLU A 20 84.600 -1.755 6.416 1.00 0.00 O ATOM 127 CB GLU A 20 84.110 -0.454 9.225 1.00 0.00 C ATOM 128 CG GLU A 20 84.785 0.811 9.730 1.00 0.00 C ATOM 129 CD GLU A 20 85.660 0.562 10.943 1.00 0.00 C ATOM 130 OE1 GLU A 20 86.810 0.109 10.761 1.00 0.00 O ATOM 131 OE2 GLU A 20 85.197 0.821 12.073 1.00 0.00 O ATOM 0 H GLU A 20 81.701 0.057 9.062 1.00 0.00 H new ATOM 0 HA GLU A 20 83.862 0.563 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 20 83.385 -0.790 9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 20 84.857 -1.242 9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.391 1.238 8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 20 84.023 1.549 9.982 1.00 0.00 H new ATOM 138 N SER A 21 82.503 -2.343 6.992 1.00 0.00 N ATOM 139 CA SER A 21 82.507 -3.568 6.215 1.00 0.00 C ATOM 140 C SER A 21 82.359 -3.261 4.730 1.00 0.00 C ATOM 141 O SER A 21 83.201 -3.644 3.917 1.00 0.00 O ATOM 142 CB SER A 21 81.364 -4.458 6.685 1.00 0.00 C ATOM 143 OG SER A 21 81.818 -5.767 6.985 1.00 0.00 O ATOM 0 H SER A 21 81.634 -2.169 7.496 1.00 0.00 H new ATOM 0 HA SER A 21 83.456 -4.083 6.361 1.00 0.00 H new ATOM 0 HB2 SER A 21 80.900 -4.021 7.569 1.00 0.00 H new ATOM 0 HB3 SER A 21 80.596 -4.505 5.913 1.00 0.00 H new ATOM 0 HG SER A 21 81.063 -6.314 7.286 1.00 0.00 H new ATOM 149 N LEU A 22 81.283 -2.559 4.384 1.00 0.00 N ATOM 150 CA LEU A 22 81.027 -2.190 2.999 1.00 0.00 C ATOM 151 C LEU A 22 82.142 -1.293 2.481 1.00 0.00 C ATOM 152 O LEU A 22 82.572 -1.414 1.335 1.00 0.00 O ATOM 153 CB LEU A 22 79.675 -1.482 2.874 1.00 0.00 C ATOM 154 CG LEU A 22 78.744 -2.049 1.800 1.00 0.00 C ATOM 155 CD1 LEU A 22 77.289 -1.872 2.207 1.00 0.00 C ATOM 156 CD2 LEU A 22 79.010 -1.381 0.459 1.00 0.00 C ATOM 0 H LEU A 22 80.576 -2.236 5.045 1.00 0.00 H new ATOM 0 HA LEU A 22 80.998 -3.098 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 22 79.166 -1.531 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 22 79.852 -0.428 2.660 1.00 0.00 H new ATOM 0 HG LEU A 22 78.944 -3.116 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 22 76.642 -2.281 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 22 77.107 -2.397 3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 22 77.074 -0.811 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 22 78.339 -1.796 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 22 78.838 -0.308 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 22 80.043 -1.560 0.162 1.00 0.00 H new ATOM 168 N SER A 23 82.611 -0.400 3.343 1.00 0.00 N ATOM 169 CA SER A 23 83.688 0.513 2.983 1.00 0.00 C ATOM 170 C SER A 23 84.967 -0.263 2.714 1.00 0.00 C ATOM 171 O SER A 23 85.751 0.094 1.834 1.00 0.00 O ATOM 172 CB SER A 23 83.918 1.538 4.097 1.00 0.00 C ATOM 173 OG SER A 23 83.247 2.754 3.819 1.00 0.00 O ATOM 0 H SER A 23 82.263 -0.288 4.295 1.00 0.00 H new ATOM 0 HA SER A 23 83.401 1.045 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 23 83.565 1.133 5.046 1.00 0.00 H new ATOM 0 HB3 SER A 23 84.986 1.726 4.208 1.00 0.00 H new ATOM 0 HG SER A 23 83.409 3.391 4.546 1.00 0.00 H new ATOM 178 N SER A 24 85.164 -1.336 3.469 1.00 0.00 N ATOM 179 CA SER A 24 86.343 -2.174 3.307 1.00 0.00 C ATOM 180 C SER A 24 86.340 -2.833 1.936 1.00 0.00 C ATOM 181 O SER A 24 87.392 -3.024 1.325 1.00 0.00 O ATOM 182 CB SER A 24 86.395 -3.244 4.393 1.00 0.00 C ATOM 183 OG SER A 24 86.760 -2.687 5.644 1.00 0.00 O ATOM 0 H SER A 24 84.522 -1.646 4.199 1.00 0.00 H new ATOM 0 HA SER A 24 87.225 -1.540 3.396 1.00 0.00 H new ATOM 0 HB2 SER A 24 85.422 -3.728 4.477 1.00 0.00 H new ATOM 0 HB3 SER A 24 87.112 -4.016 4.113 1.00 0.00 H new ATOM 0 HG SER A 24 86.048 -2.090 5.957 1.00 0.00 H new ATOM 189 N TYR A 25 85.147 -3.164 1.446 1.00 0.00 N ATOM 190 CA TYR A 25 85.000 -3.782 0.144 1.00 0.00 C ATOM 191 C TYR A 25 85.745 -2.965 -0.902 1.00 0.00 C ATOM 192 O TYR A 25 86.368 -3.510 -1.814 1.00 0.00 O ATOM 193 CB TYR A 25 83.518 -3.857 -0.190 1.00 0.00 C ATOM 194 CG TYR A 25 83.090 -5.181 -0.779 1.00 0.00 C ATOM 195 CD1 TYR A 25 83.788 -5.753 -1.834 1.00 0.00 C ATOM 196 CD2 TYR A 25 81.987 -5.860 -0.278 1.00 0.00 C ATOM 197 CE1 TYR A 25 83.400 -6.965 -2.372 1.00 0.00 C ATOM 198 CE2 TYR A 25 81.592 -7.072 -0.810 1.00 0.00 C ATOM 199 CZ TYR A 25 82.301 -7.620 -1.857 1.00 0.00 C ATOM 200 OH TYR A 25 81.911 -8.827 -2.390 1.00 0.00 O ATOM 0 H TYR A 25 84.268 -3.011 1.940 1.00 0.00 H new ATOM 0 HA TYR A 25 85.422 -4.787 0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 25 82.941 -3.670 0.716 1.00 0.00 H new ATOM 0 HB3 TYR A 25 83.273 -3.061 -0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 25 84.648 -5.242 -2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 25 81.428 -5.433 0.542 1.00 0.00 H new ATOM 0 HE1 TYR A 25 83.955 -7.397 -3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 25 80.732 -7.587 -0.408 1.00 0.00 H new ATOM 0 HH TYR A 25 81.120 -9.155 -1.913 1.00 0.00 H new ATOM 210 N TRP A 26 85.686 -1.648 -0.739 1.00 0.00 N ATOM 211 CA TRP A 26 86.363 -0.725 -1.641 1.00 0.00 C ATOM 212 C TRP A 26 87.691 -0.273 -1.043 1.00 0.00 C ATOM 213 O TRP A 26 88.587 0.164 -1.763 1.00 0.00 O ATOM 214 CB TRP A 26 85.474 0.488 -1.927 1.00 0.00 C ATOM 215 CG TRP A 26 84.820 0.432 -3.272 1.00 0.00 C ATOM 216 CD1 TRP A 26 85.221 1.075 -4.408 1.00 0.00 C ATOM 217 CD2 TRP A 26 83.649 -0.314 -3.624 1.00 0.00 C ATOM 218 NE1 TRP A 26 84.373 0.771 -5.445 1.00 0.00 N ATOM 219 CE2 TRP A 26 83.399 -0.078 -4.989 1.00 0.00 C ATOM 220 CE3 TRP A 26 82.789 -1.159 -2.918 1.00 0.00 C ATOM 221 CZ2 TRP A 26 82.324 -0.656 -5.660 1.00 0.00 C ATOM 222 CZ3 TRP A 26 81.723 -1.734 -3.585 1.00 0.00 C ATOM 223 CH2 TRP A 26 81.499 -1.480 -4.944 1.00 0.00 C ATOM 0 H TRP A 26 85.172 -1.193 0.016 1.00 0.00 H new ATOM 0 HA TRP A 26 86.562 -1.243 -2.579 1.00 0.00 H new ATOM 0 HB2 TRP A 26 84.705 0.557 -1.158 1.00 0.00 H new ATOM 0 HB3 TRP A 26 86.074 1.395 -1.859 1.00 0.00 H new ATOM 0 HD1 TRP A 26 86.079 1.727 -4.480 1.00 0.00 H new ATOM 0 HE1 TRP A 26 84.455 1.121 -6.400 1.00 0.00 H new ATOM 0 HE3 TRP A 26 82.954 -1.360 -1.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 82.148 -0.461 -6.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 81.052 -2.390 -3.049 1.00 0.00 H new ATOM 0 HH2 TRP A 26 80.658 -1.944 -5.437 1.00 0.00 H new ATOM 234 N GLU A 27 87.817 -0.391 0.277 1.00 0.00 N ATOM 235 CA GLU A 27 89.045 0.002 0.959 1.00 0.00 C ATOM 236 C GLU A 27 90.152 -1.005 0.680 1.00 0.00 C ATOM 237 O GLU A 27 91.322 -0.641 0.573 1.00 0.00 O ATOM 238 CB GLU A 27 88.812 0.117 2.467 1.00 0.00 C ATOM 239 CG GLU A 27 89.725 1.121 3.152 1.00 0.00 C ATOM 240 CD GLU A 27 89.685 2.489 2.498 1.00 0.00 C ATOM 241 OE1 GLU A 27 88.829 3.309 2.891 1.00 0.00 O ATOM 242 OE2 GLU A 27 90.509 2.738 1.593 1.00 0.00 O ATOM 0 H GLU A 27 87.088 -0.753 0.891 1.00 0.00 H new ATOM 0 HA GLU A 27 89.349 0.977 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 27 87.775 0.402 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 27 88.956 -0.862 2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 27 89.435 1.214 4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 27 90.748 0.745 3.137 1.00 0.00 H new ATOM 249 N SER A 28 89.774 -2.275 0.558 1.00 0.00 N ATOM 250 CA SER A 28 90.737 -3.333 0.284 1.00 0.00 C ATOM 251 C SER A 28 91.368 -3.134 -1.085 1.00 0.00 C ATOM 252 O SER A 28 92.567 -3.350 -1.264 1.00 0.00 O ATOM 253 CB SER A 28 90.063 -4.702 0.362 1.00 0.00 C ATOM 254 OG SER A 28 90.752 -5.663 -0.422 1.00 0.00 O ATOM 0 H SER A 28 88.809 -2.594 0.645 1.00 0.00 H new ATOM 0 HA SER A 28 91.522 -3.289 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 28 90.029 -5.034 1.400 1.00 0.00 H new ATOM 0 HB3 SER A 28 89.032 -4.622 0.019 1.00 0.00 H new ATOM 0 HG SER A 28 90.299 -6.529 -0.351 1.00 0.00 H new ATOM 260 N ALA A 29 90.561 -2.696 -2.046 1.00 0.00 N ATOM 261 CA ALA A 29 91.059 -2.441 -3.388 1.00 0.00 C ATOM 262 C ALA A 29 92.108 -1.346 -3.327 1.00 0.00 C ATOM 263 O ALA A 29 93.128 -1.397 -4.013 1.00 0.00 O ATOM 264 CB ALA A 29 89.920 -2.050 -4.317 1.00 0.00 C ATOM 0 H ALA A 29 89.566 -2.512 -1.919 1.00 0.00 H new ATOM 0 HA ALA A 29 91.511 -3.349 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 29 90.313 -1.863 -5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 29 89.191 -2.859 -4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 29 89.438 -1.147 -3.942 1.00 0.00 H new ATOM 270 N LYS A 30 91.854 -0.372 -2.463 1.00 0.00 N ATOM 271 CA LYS A 30 92.776 0.739 -2.262 1.00 0.00 C ATOM 272 C LYS A 30 93.917 0.315 -1.345 1.00 0.00 C ATOM 273 O LYS A 30 95.012 0.875 -1.398 1.00 0.00 O ATOM 274 CB LYS A 30 92.042 1.938 -1.661 1.00 0.00 C ATOM 275 CG LYS A 30 91.258 2.749 -2.681 1.00 0.00 C ATOM 276 CD LYS A 30 90.825 4.092 -2.113 1.00 0.00 C ATOM 277 CE LYS A 30 91.118 5.228 -3.080 1.00 0.00 C ATOM 278 NZ LYS A 30 90.018 6.231 -3.112 1.00 0.00 N ATOM 0 H LYS A 30 91.013 -0.329 -1.887 1.00 0.00 H new ATOM 0 HA LYS A 30 93.187 1.028 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 30 91.359 1.585 -0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 30 92.767 2.589 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 30 91.870 2.909 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 30 90.380 2.186 -2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 30 89.758 4.067 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 30 91.342 4.273 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 30 92.048 5.719 -2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 30 91.268 4.823 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 90.258 6.988 -3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 89.136 5.769 -3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 89.891 6.637 -2.163 1.00 0.00 H new ATOM 292 N THR A 31 93.652 -0.687 -0.507 1.00 0.00 N ATOM 293 CA THR A 31 94.650 -1.197 0.418 1.00 0.00 C ATOM 294 C THR A 31 95.823 -1.799 -0.341 1.00 0.00 C ATOM 295 O THR A 31 96.978 -1.646 0.059 1.00 0.00 O ATOM 296 CB THR A 31 94.024 -2.253 1.321 1.00 0.00 C ATOM 297 OG1 THR A 31 92.964 -1.702 2.083 1.00 0.00 O ATOM 298 CG2 THR A 31 95.009 -2.871 2.282 1.00 0.00 C ATOM 0 H THR A 31 92.750 -1.160 -0.454 1.00 0.00 H new ATOM 0 HA THR A 31 95.016 -0.370 1.027 1.00 0.00 H new ATOM 0 HB THR A 31 93.659 -3.029 0.648 1.00 0.00 H new ATOM 0 HG1 THR A 31 92.557 -0.960 1.589 1.00 0.00 H new ATOM 0 HG21 THR A 31 94.501 -3.614 2.896 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.812 -3.351 1.722 1.00 0.00 H new ATOM 0 HG23 THR A 31 95.427 -2.095 2.923 1.00 0.00 H new ATOM 306 N ALA A 32 95.520 -2.476 -1.445 1.00 0.00 N ATOM 307 CA ALA A 32 96.553 -3.088 -2.267 1.00 0.00 C ATOM 308 C ALA A 32 97.574 -2.043 -2.698 1.00 0.00 C ATOM 309 O ALA A 32 98.707 -2.369 -3.047 1.00 0.00 O ATOM 310 CB ALA A 32 95.935 -3.767 -3.481 1.00 0.00 C ATOM 0 H ALA A 32 94.569 -2.613 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 32 97.065 -3.847 -1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 32 96.722 -4.219 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 32 95.241 -4.540 -3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 32 95.399 -3.029 -4.077 1.00 0.00 H new ATOM 316 N ALA A 33 97.158 -0.781 -2.656 1.00 0.00 N ATOM 317 CA ALA A 33 98.030 0.327 -3.029 1.00 0.00 C ATOM 318 C ALA A 33 98.829 0.804 -1.821 1.00 0.00 C ATOM 319 O ALA A 33 99.974 1.238 -1.951 1.00 0.00 O ATOM 320 CB ALA A 33 97.214 1.470 -3.615 1.00 0.00 C ATOM 0 H ALA A 33 96.221 -0.500 -2.367 1.00 0.00 H new ATOM 0 HA ALA A 33 98.729 -0.022 -3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 33 97.879 2.289 -3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 33 96.684 1.122 -4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 33 96.493 1.819 -2.875 1.00 0.00 H new ATOM 326 N GLN A 34 98.214 0.715 -0.646 1.00 0.00 N ATOM 327 CA GLN A 34 98.857 1.131 0.594 1.00 0.00 C ATOM 328 C GLN A 34 99.884 0.099 1.045 1.00 0.00 C ATOM 329 O GLN A 34 100.863 0.421 1.716 1.00 0.00 O ATOM 330 CB GLN A 34 97.804 1.325 1.684 1.00 0.00 C ATOM 331 CG GLN A 34 98.089 2.495 2.610 1.00 0.00 C ATOM 332 CD GLN A 34 96.914 2.822 3.512 1.00 0.00 C ATOM 333 OE1 GLN A 34 96.493 4.082 3.501 1.00 0.00 O flip ATOM 334 NE2 GLN A 34 96.391 1.953 4.210 1.00 0.00 N flip ATOM 0 H GLN A 34 97.266 0.357 -0.527 1.00 0.00 H new ATOM 0 HA GLN A 34 99.373 2.075 0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 34 96.832 1.474 1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 34 97.736 0.413 2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 34 98.960 2.265 3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 34 98.341 3.372 2.014 1.00 0.00 H new ATOM 0 HE21 GLN A 34 96.747 0.998 4.187 1.00 0.00 H new ATOM 0 HE22 GLN A 34 95.601 2.189 4.811 1.00 0.00 H new ATOM 343 N ASN A 35 99.644 -1.146 0.678 1.00 0.00 N ATOM 344 CA ASN A 35 100.529 -2.237 1.037 1.00 0.00 C ATOM 345 C ASN A 35 101.757 -2.265 0.135 1.00 0.00 C ATOM 346 O ASN A 35 102.888 -2.395 0.604 1.00 0.00 O ATOM 347 CB ASN A 35 99.759 -3.543 0.910 1.00 0.00 C ATOM 348 CG ASN A 35 99.851 -4.401 2.156 1.00 0.00 C ATOM 349 OD1 ASN A 35 98.984 -4.344 3.029 1.00 0.00 O ATOM 350 ND2 ASN A 35 100.903 -5.205 2.245 1.00 0.00 N ATOM 0 H ASN A 35 98.834 -1.428 0.126 1.00 0.00 H new ATOM 0 HA ASN A 35 100.874 -2.099 2.062 1.00 0.00 H new ATOM 0 HB2 ASN A 35 98.712 -3.324 0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 35 100.143 -4.105 0.058 1.00 0.00 H new ATOM 0 HD21 ASN A 35 101.017 -5.808 3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 35 101.598 -5.220 1.498 1.00 0.00 H new ATOM 357 N LEU A 36 101.517 -2.164 -1.164 1.00 0.00 N ATOM 358 CA LEU A 36 102.572 -2.199 -2.156 1.00 0.00 C ATOM 359 C LEU A 36 103.443 -0.942 -2.138 1.00 0.00 C ATOM 360 O LEU A 36 104.618 -1.001 -2.500 1.00 0.00 O ATOM 361 CB LEU A 36 101.932 -2.368 -3.525 1.00 0.00 C ATOM 362 CG LEU A 36 102.487 -3.518 -4.366 1.00 0.00 C ATOM 363 CD1 LEU A 36 101.378 -4.175 -5.171 1.00 0.00 C ATOM 364 CD2 LEU A 36 103.592 -3.020 -5.285 1.00 0.00 C ATOM 0 H LEU A 36 100.582 -2.055 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 36 103.232 -3.035 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 36 100.861 -2.521 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 36 102.054 -1.439 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 36 102.909 -4.264 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 36 101.793 -4.991 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 36 100.620 -4.567 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 36 100.925 -3.439 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 36 103.976 -3.851 -5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 36 103.194 -2.254 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 36 104.399 -2.597 -4.687 1.00 0.00 H new ATOM 376 N TYR A 37 102.872 0.200 -1.752 1.00 0.00 N ATOM 377 CA TYR A 37 103.646 1.445 -1.742 1.00 0.00 C ATOM 378 C TYR A 37 103.095 2.489 -0.773 1.00 0.00 C ATOM 379 O TYR A 37 103.558 3.629 -0.758 1.00 0.00 O ATOM 380 CB TYR A 37 103.676 2.033 -3.145 1.00 0.00 C ATOM 381 CG TYR A 37 104.970 2.740 -3.476 1.00 0.00 C ATOM 382 CD1 TYR A 37 106.133 2.020 -3.716 1.00 0.00 C ATOM 383 CD2 TYR A 37 105.031 4.125 -3.532 1.00 0.00 C ATOM 384 CE1 TYR A 37 107.322 2.663 -4.005 1.00 0.00 C ATOM 385 CE2 TYR A 37 106.217 4.775 -3.818 1.00 0.00 C ATOM 386 CZ TYR A 37 107.358 4.040 -4.053 1.00 0.00 C ATOM 387 OH TYR A 37 108.540 4.684 -4.337 1.00 0.00 O ATOM 0 H TYR A 37 101.902 0.291 -1.449 1.00 0.00 H new ATOM 0 HA TYR A 37 104.650 1.190 -1.402 1.00 0.00 H new ATOM 0 HB2 TYR A 37 103.513 1.234 -3.868 1.00 0.00 H new ATOM 0 HB3 TYR A 37 102.850 2.735 -3.254 1.00 0.00 H new ATOM 0 HD1 TYR A 37 106.108 0.941 -3.676 1.00 0.00 H new ATOM 0 HD2 TYR A 37 104.138 4.704 -3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 37 108.218 2.090 -4.192 1.00 0.00 H new ATOM 0 HE2 TYR A 37 106.249 5.854 -3.857 1.00 0.00 H new ATOM 0 HH TYR A 37 108.394 5.653 -4.333 1.00 0.00 H new ATOM 397 N GLU A 38 102.116 2.111 0.033 1.00 0.00 N ATOM 398 CA GLU A 38 101.524 3.037 0.997 1.00 0.00 C ATOM 399 C GLU A 38 100.749 4.136 0.282 1.00 0.00 C ATOM 400 O GLU A 38 100.704 5.278 0.741 1.00 0.00 O ATOM 401 CB GLU A 38 102.614 3.648 1.877 1.00 0.00 C ATOM 402 CG GLU A 38 102.213 3.794 3.336 1.00 0.00 C ATOM 403 CD GLU A 38 103.068 2.953 4.263 1.00 0.00 C ATOM 404 OE1 GLU A 38 102.801 1.738 4.376 1.00 0.00 O ATOM 405 OE2 GLU A 38 104.004 3.509 4.874 1.00 0.00 O ATOM 0 H GLU A 38 101.713 1.174 0.043 1.00 0.00 H new ATOM 0 HA GLU A 38 100.830 2.481 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 38 103.508 3.027 1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 38 102.879 4.629 1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 38 102.290 4.842 3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 38 101.168 3.507 3.452 1.00 0.00 H new ATOM 412 N LYS A 39 100.126 3.778 -0.836 1.00 0.00 N ATOM 413 CA LYS A 39 99.339 4.728 -1.611 1.00 0.00 C ATOM 414 C LYS A 39 100.185 5.919 -2.061 1.00 0.00 C ATOM 415 O LYS A 39 99.653 6.965 -2.431 1.00 0.00 O ATOM 416 CB LYS A 39 98.155 5.211 -0.780 1.00 0.00 C ATOM 417 CG LYS A 39 96.886 4.404 -1.000 1.00 0.00 C ATOM 418 CD LYS A 39 95.957 4.489 0.200 1.00 0.00 C ATOM 419 CE LYS A 39 94.605 3.855 -0.091 1.00 0.00 C ATOM 420 NZ LYS A 39 93.513 4.868 -0.122 1.00 0.00 N ATOM 0 H LYS A 39 100.152 2.836 -1.225 1.00 0.00 H new ATOM 0 HA LYS A 39 98.976 4.221 -2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 39 98.423 5.170 0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 39 97.957 6.256 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 39 96.370 4.770 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 39 97.144 3.362 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 39 96.417 3.990 1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 39 95.817 5.533 0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 39 94.646 3.335 -1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 39 94.384 3.106 0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 92.671 4.486 0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 93.826 5.731 0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 93.278 5.095 -1.109 1.00 0.00 H new ATOM 434 N THR A 40 101.503 5.752 -2.029 1.00 0.00 N ATOM 435 CA THR A 40 102.424 6.804 -2.435 1.00 0.00 C ATOM 436 C THR A 40 102.761 6.695 -3.923 1.00 0.00 C ATOM 437 O THR A 40 103.416 7.570 -4.488 1.00 0.00 O ATOM 438 CB THR A 40 103.701 6.708 -1.607 1.00 0.00 C ATOM 439 OG1 THR A 40 103.431 6.952 -0.238 1.00 0.00 O ATOM 440 CG2 THR A 40 104.777 7.676 -2.044 1.00 0.00 C ATOM 0 H THR A 40 101.958 4.892 -1.724 1.00 0.00 H new ATOM 0 HA THR A 40 101.945 7.768 -2.265 1.00 0.00 H new ATOM 0 HB THR A 40 104.068 5.693 -1.763 1.00 0.00 H new ATOM 0 HG1 THR A 40 104.262 6.884 0.277 1.00 0.00 H new ATOM 0 HG21 THR A 40 105.656 7.552 -1.412 1.00 0.00 H new ATOM 0 HG22 THR A 40 105.045 7.477 -3.082 1.00 0.00 H new ATOM 0 HG23 THR A 40 104.406 8.697 -1.954 1.00 0.00 H new ATOM 448 N TYR A 41 102.320 5.607 -4.545 1.00 0.00 N ATOM 449 CA TYR A 41 102.578 5.367 -5.958 1.00 0.00 C ATOM 450 C TYR A 41 101.824 6.351 -6.854 1.00 0.00 C ATOM 451 O TYR A 41 102.193 6.548 -8.012 1.00 0.00 O ATOM 452 CB TYR A 41 102.181 3.934 -6.310 1.00 0.00 C ATOM 453 CG TYR A 41 103.204 3.202 -7.151 1.00 0.00 C ATOM 454 CD1 TYR A 41 104.565 3.355 -6.918 1.00 0.00 C ATOM 455 CD2 TYR A 41 102.805 2.359 -8.179 1.00 0.00 C ATOM 456 CE1 TYR A 41 105.498 2.687 -7.686 1.00 0.00 C ATOM 457 CE2 TYR A 41 103.733 1.687 -8.951 1.00 0.00 C ATOM 458 CZ TYR A 41 105.078 1.855 -8.701 1.00 0.00 C ATOM 459 OH TYR A 41 106.006 1.188 -9.468 1.00 0.00 O ATOM 0 H TYR A 41 101.779 4.873 -4.088 1.00 0.00 H new ATOM 0 HA TYR A 41 103.643 5.516 -6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 41 102.017 3.376 -5.388 1.00 0.00 H new ATOM 0 HB3 TYR A 41 101.231 3.952 -6.845 1.00 0.00 H new ATOM 0 HD1 TYR A 41 104.898 4.007 -6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 41 101.752 2.226 -8.379 1.00 0.00 H new ATOM 0 HE1 TYR A 41 106.553 2.816 -7.492 1.00 0.00 H new ATOM 0 HE2 TYR A 41 103.406 1.033 -9.746 1.00 0.00 H new ATOM 0 HH TYR A 41 105.545 0.642 -10.139 1.00 0.00 H new ATOM 469 N LEU A 42 100.761 6.956 -6.329 1.00 0.00 N ATOM 470 CA LEU A 42 99.969 7.905 -7.109 1.00 0.00 C ATOM 471 C LEU A 42 100.604 9.296 -7.109 1.00 0.00 C ATOM 472 O LEU A 42 100.827 9.879 -8.170 1.00 0.00 O ATOM 473 CB LEU A 42 98.528 7.983 -6.589 1.00 0.00 C ATOM 474 CG LEU A 42 97.959 6.675 -6.029 1.00 0.00 C ATOM 475 CD1 LEU A 42 97.422 6.882 -4.620 1.00 0.00 C ATOM 476 CD2 LEU A 42 96.867 6.134 -6.941 1.00 0.00 C ATOM 0 H LEU A 42 100.430 6.808 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 42 99.948 7.539 -8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 42 98.482 8.743 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 42 97.884 8.321 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 42 98.766 5.943 -5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 42 97.023 5.941 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 42 98.228 7.222 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 42 96.630 7.631 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 42 96.475 5.205 -6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 42 96.062 6.865 -7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.281 5.944 -7.931 1.00 0.00 H new ATOM 488 N PRO A 43 100.903 9.854 -5.921 1.00 0.00 N ATOM 489 CA PRO A 43 101.511 11.184 -5.805 1.00 0.00 C ATOM 490 C PRO A 43 102.975 11.203 -6.241 1.00 0.00 C ATOM 491 O PRO A 43 103.594 12.265 -6.312 1.00 0.00 O ATOM 492 CB PRO A 43 101.397 11.513 -4.305 1.00 0.00 C ATOM 493 CG PRO A 43 100.509 10.458 -3.728 1.00 0.00 C ATOM 494 CD PRO A 43 100.678 9.254 -4.602 1.00 0.00 C ATOM 0 HA PRO A 43 101.013 11.906 -6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 43 102.376 11.506 -3.827 1.00 0.00 H new ATOM 0 HB3 PRO A 43 100.975 12.507 -4.153 1.00 0.00 H new ATOM 0 HG2 PRO A 43 100.787 10.235 -2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 43 99.470 10.787 -3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 43 101.520 8.638 -4.287 1.00 0.00 H new ATOM 0 HD3 PRO A 43 99.794 8.616 -4.591 1.00 0.00 H new ATOM 502 N ALA A 44 103.527 10.027 -6.531 1.00 0.00 N ATOM 503 CA ALA A 44 104.918 9.921 -6.958 1.00 0.00 C ATOM 504 C ALA A 44 105.014 9.357 -8.372 1.00 0.00 C ATOM 505 O ALA A 44 105.798 8.447 -8.639 1.00 0.00 O ATOM 506 CB ALA A 44 105.701 9.051 -5.986 1.00 0.00 C ATOM 0 H ALA A 44 103.033 9.136 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 44 105.351 10.921 -6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 44 106.738 8.980 -6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 44 105.666 9.495 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 44 105.261 8.054 -5.954 1.00 0.00 H new ATOM 512 N VAL A 45 104.208 9.907 -9.273 1.00 0.00 N ATOM 513 CA VAL A 45 104.194 9.466 -10.662 1.00 0.00 C ATOM 514 C VAL A 45 105.582 9.556 -11.290 1.00 0.00 C ATOM 515 O VAL A 45 105.984 8.681 -12.057 1.00 0.00 O ATOM 516 CB VAL A 45 103.206 10.298 -11.502 1.00 0.00 C ATOM 517 CG1 VAL A 45 103.058 9.709 -12.897 1.00 0.00 C ATOM 518 CG2 VAL A 45 101.856 10.387 -10.805 1.00 0.00 C ATOM 0 H VAL A 45 103.554 10.661 -9.065 1.00 0.00 H new ATOM 0 HA VAL A 45 103.873 8.424 -10.658 1.00 0.00 H new ATOM 0 HB VAL A 45 103.605 11.307 -11.602 1.00 0.00 H new ATOM 0 HG11 VAL A 45 102.356 10.311 -13.474 1.00 0.00 H new ATOM 0 HG12 VAL A 45 104.028 9.705 -13.395 1.00 0.00 H new ATOM 0 HG13 VAL A 45 102.684 8.688 -12.823 1.00 0.00 H new ATOM 0 HG21 VAL A 45 101.171 10.978 -11.413 1.00 0.00 H new ATOM 0 HG22 VAL A 45 101.449 9.385 -10.671 1.00 0.00 H new ATOM 0 HG23 VAL A 45 101.980 10.862 -9.832 1.00 0.00 H new ATOM 528 N ASP A 46 106.311 10.617 -10.959 1.00 0.00 N ATOM 529 CA ASP A 46 107.655 10.820 -11.492 1.00 0.00 C ATOM 530 C ASP A 46 108.606 9.728 -11.015 1.00 0.00 C ATOM 531 O ASP A 46 109.610 9.440 -11.667 1.00 0.00 O ATOM 532 CB ASP A 46 108.189 12.193 -11.082 1.00 0.00 C ATOM 533 CG ASP A 46 108.941 12.879 -12.205 1.00 0.00 C ATOM 534 OD1 ASP A 46 109.869 12.257 -12.765 1.00 0.00 O ATOM 535 OD2 ASP A 46 108.604 14.038 -12.525 1.00 0.00 O ATOM 0 H ASP A 46 105.994 11.350 -10.324 1.00 0.00 H new ATOM 0 HA ASP A 46 107.595 10.771 -12.579 1.00 0.00 H new ATOM 0 HB2 ASP A 46 107.358 12.824 -10.766 1.00 0.00 H new ATOM 0 HB3 ASP A 46 108.849 12.081 -10.222 1.00 0.00 H new ATOM 540 N GLU A 47 108.290 9.121 -9.875 1.00 0.00 N ATOM 541 CA GLU A 47 109.125 8.062 -9.325 1.00 0.00 C ATOM 542 C GLU A 47 108.773 6.716 -9.944 1.00 0.00 C ATOM 543 O GLU A 47 109.658 5.940 -10.304 1.00 0.00 O ATOM 544 CB GLU A 47 108.970 7.986 -7.809 1.00 0.00 C ATOM 545 CG GLU A 47 109.176 9.318 -7.106 1.00 0.00 C ATOM 546 CD GLU A 47 109.641 9.153 -5.673 1.00 0.00 C ATOM 547 OE1 GLU A 47 108.903 8.535 -4.877 1.00 0.00 O ATOM 548 OE2 GLU A 47 110.743 9.642 -5.345 1.00 0.00 O ATOM 0 H GLU A 47 107.465 9.344 -9.317 1.00 0.00 H new ATOM 0 HA GLU A 47 110.162 8.298 -9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 47 107.974 7.611 -7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 47 109.685 7.263 -7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 47 109.910 9.906 -7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 47 108.242 9.880 -7.119 1.00 0.00 H new ATOM 555 N LYS A 48 107.476 6.444 -10.072 1.00 0.00 N ATOM 556 CA LYS A 48 107.022 5.189 -10.661 1.00 0.00 C ATOM 557 C LYS A 48 107.671 4.990 -12.025 1.00 0.00 C ATOM 558 O LYS A 48 108.103 3.890 -12.367 1.00 0.00 O ATOM 559 CB LYS A 48 105.496 5.183 -10.792 1.00 0.00 C ATOM 560 CG LYS A 48 104.949 3.964 -11.523 1.00 0.00 C ATOM 561 CD LYS A 48 104.188 4.356 -12.781 1.00 0.00 C ATOM 562 CE LYS A 48 104.614 3.516 -13.975 1.00 0.00 C ATOM 563 NZ LYS A 48 105.654 4.201 -14.792 1.00 0.00 N ATOM 0 H LYS A 48 106.727 7.071 -9.778 1.00 0.00 H new ATOM 0 HA LYS A 48 107.315 4.367 -10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 48 105.055 5.227 -9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 48 105.182 6.083 -11.320 1.00 0.00 H new ATOM 0 HG2 LYS A 48 105.771 3.299 -11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 48 104.290 3.406 -10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 48 103.118 4.235 -12.613 1.00 0.00 H new ATOM 0 HD3 LYS A 48 104.359 5.411 -12.997 1.00 0.00 H new ATOM 0 HE2 LYS A 48 104.999 2.558 -13.626 1.00 0.00 H new ATOM 0 HE3 LYS A 48 103.745 3.303 -14.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 105.320 4.294 -15.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 105.839 5.146 -14.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 106.531 3.642 -14.777 1.00 0.00 H new ATOM 577 N LEU A 49 107.747 6.072 -12.791 1.00 0.00 N ATOM 578 CA LEU A 49 108.355 6.036 -14.110 1.00 0.00 C ATOM 579 C LEU A 49 109.872 6.199 -14.008 1.00 0.00 C ATOM 580 O LEU A 49 110.607 5.834 -14.925 1.00 0.00 O ATOM 581 CB LEU A 49 107.753 7.137 -14.989 1.00 0.00 C ATOM 582 CG LEU A 49 108.446 8.504 -14.909 1.00 0.00 C ATOM 583 CD1 LEU A 49 109.377 8.700 -16.095 1.00 0.00 C ATOM 584 CD2 LEU A 49 107.416 9.623 -14.846 1.00 0.00 C ATOM 0 H LEU A 49 107.392 6.988 -12.517 1.00 0.00 H new ATOM 0 HA LEU A 49 108.149 5.068 -14.567 1.00 0.00 H new ATOM 0 HB2 LEU A 49 107.772 6.800 -16.026 1.00 0.00 H new ATOM 0 HB3 LEU A 49 106.706 7.264 -14.714 1.00 0.00 H new ATOM 0 HG LEU A 49 109.041 8.535 -13.996 1.00 0.00 H new ATOM 0 HD11 LEU A 49 109.860 9.675 -16.022 1.00 0.00 H new ATOM 0 HD12 LEU A 49 110.136 7.918 -16.095 1.00 0.00 H new ATOM 0 HD13 LEU A 49 108.803 8.648 -17.020 1.00 0.00 H new ATOM 0 HD21 LEU A 49 107.926 10.585 -14.790 1.00 0.00 H new ATOM 0 HD22 LEU A 49 106.793 9.595 -15.740 1.00 0.00 H new ATOM 0 HD23 LEU A 49 106.790 9.492 -13.963 1.00 0.00 H new ATOM 596 N ARG A 50 110.333 6.753 -12.885 1.00 0.00 N ATOM 597 CA ARG A 50 111.761 6.964 -12.666 1.00 0.00 C ATOM 598 C ARG A 50 112.208 6.334 -11.349 1.00 0.00 C ATOM 599 O ARG A 50 112.559 7.034 -10.400 1.00 0.00 O ATOM 600 CB ARG A 50 112.081 8.460 -12.668 1.00 0.00 C ATOM 601 CG ARG A 50 113.408 8.797 -13.326 1.00 0.00 C ATOM 602 CD ARG A 50 113.218 9.245 -14.767 1.00 0.00 C ATOM 603 NE ARG A 50 112.742 8.157 -15.620 1.00 0.00 N ATOM 604 CZ ARG A 50 113.537 7.243 -16.172 1.00 0.00 C ATOM 605 NH1 ARG A 50 114.847 7.279 -15.965 1.00 0.00 N ATOM 606 NH2 ARG A 50 113.019 6.286 -16.931 1.00 0.00 N ATOM 0 H ARG A 50 109.738 7.062 -12.116 1.00 0.00 H new ATOM 0 HA ARG A 50 112.305 6.483 -13.479 1.00 0.00 H new ATOM 0 HB2 ARG A 50 111.283 8.993 -13.185 1.00 0.00 H new ATOM 0 HB3 ARG A 50 112.092 8.822 -11.640 1.00 0.00 H new ATOM 0 HG2 ARG A 50 113.905 9.586 -12.761 1.00 0.00 H new ATOM 0 HG3 ARG A 50 114.061 7.925 -13.298 1.00 0.00 H new ATOM 0 HD2 ARG A 50 112.506 10.069 -14.800 1.00 0.00 H new ATOM 0 HD3 ARG A 50 114.163 9.624 -15.156 1.00 0.00 H new ATOM 0 HE ARG A 50 111.741 8.095 -15.803 1.00 0.00 H new ATOM 0 HH11 ARG A 50 115.251 8.010 -15.380 1.00 0.00 H new ATOM 0 HH12 ARG A 50 115.450 6.575 -16.391 1.00 0.00 H new ATOM 0 HH21 ARG A 50 112.012 6.251 -17.091 1.00 0.00 H new ATOM 0 HH22 ARG A 50 113.627 5.585 -17.354 1.00 0.00 H new ATOM 620 N ASP A 51 112.192 5.005 -11.300 1.00 0.00 N ATOM 621 CA ASP A 51 112.598 4.276 -10.101 1.00 0.00 C ATOM 622 C ASP A 51 113.315 2.980 -10.467 1.00 0.00 C ATOM 623 O ASP A 51 114.387 2.684 -9.942 1.00 0.00 O ATOM 624 CB ASP A 51 111.381 3.965 -9.229 1.00 0.00 C ATOM 625 CG ASP A 51 111.166 4.999 -8.141 1.00 0.00 C ATOM 626 OD1 ASP A 51 112.140 5.694 -7.780 1.00 0.00 O ATOM 627 OD2 ASP A 51 110.024 5.113 -7.649 1.00 0.00 O ATOM 0 H ASP A 51 111.902 4.410 -12.076 1.00 0.00 H new ATOM 0 HA ASP A 51 113.287 4.908 -9.541 1.00 0.00 H new ATOM 0 HB2 ASP A 51 110.492 3.913 -9.857 1.00 0.00 H new ATOM 0 HB3 ASP A 51 111.507 2.983 -8.773 1.00 0.00 H new ATOM 632 N LEU A 52 112.714 2.210 -11.370 1.00 0.00 N ATOM 633 CA LEU A 52 113.294 0.943 -11.804 1.00 0.00 C ATOM 634 C LEU A 52 114.755 1.114 -12.200 1.00 0.00 C ATOM 635 O LEU A 52 115.586 0.241 -11.950 1.00 0.00 O ATOM 636 CB LEU A 52 112.502 0.369 -12.982 1.00 0.00 C ATOM 637 CG LEU A 52 112.129 1.383 -14.068 1.00 0.00 C ATOM 638 CD1 LEU A 52 112.289 0.768 -15.449 1.00 0.00 C ATOM 639 CD2 LEU A 52 110.705 1.880 -13.865 1.00 0.00 C ATOM 0 H LEU A 52 111.826 2.441 -11.815 1.00 0.00 H new ATOM 0 HA LEU A 52 113.243 0.249 -10.965 1.00 0.00 H new ATOM 0 HB2 LEU A 52 113.086 -0.430 -13.438 1.00 0.00 H new ATOM 0 HB3 LEU A 52 111.587 -0.083 -12.599 1.00 0.00 H new ATOM 0 HG LEU A 52 112.805 2.235 -13.992 1.00 0.00 H new ATOM 0 HD11 LEU A 52 112.020 1.503 -16.208 1.00 0.00 H new ATOM 0 HD12 LEU A 52 113.325 0.461 -15.593 1.00 0.00 H new ATOM 0 HD13 LEU A 52 111.637 -0.101 -15.538 1.00 0.00 H new ATOM 0 HD21 LEU A 52 110.456 2.600 -14.645 1.00 0.00 H new ATOM 0 HD22 LEU A 52 110.015 1.038 -13.915 1.00 0.00 H new ATOM 0 HD23 LEU A 52 110.622 2.359 -12.890 1.00 0.00 H new ATOM 651 N TYR A 53 115.060 2.249 -12.815 1.00 0.00 N ATOM 652 CA TYR A 53 116.420 2.546 -13.252 1.00 0.00 C ATOM 653 C TYR A 53 117.330 2.836 -12.064 1.00 0.00 C ATOM 654 O TYR A 53 118.370 2.201 -11.893 1.00 0.00 O ATOM 655 CB TYR A 53 116.412 3.749 -14.192 1.00 0.00 C ATOM 656 CG TYR A 53 117.437 3.648 -15.297 1.00 0.00 C ATOM 657 CD1 TYR A 53 118.791 3.800 -15.028 1.00 0.00 C ATOM 658 CD2 TYR A 53 117.053 3.386 -16.605 1.00 0.00 C ATOM 659 CE1 TYR A 53 119.734 3.695 -16.033 1.00 0.00 C ATOM 660 CE2 TYR A 53 117.989 3.277 -17.616 1.00 0.00 C ATOM 661 CZ TYR A 53 119.329 3.433 -17.325 1.00 0.00 C ATOM 662 OH TYR A 53 120.265 3.325 -18.327 1.00 0.00 O ATOM 0 H TYR A 53 114.382 2.982 -13.024 1.00 0.00 H new ATOM 0 HA TYR A 53 116.805 1.671 -13.775 1.00 0.00 H new ATOM 0 HB2 TYR A 53 115.420 3.850 -14.633 1.00 0.00 H new ATOM 0 HB3 TYR A 53 116.598 4.654 -13.614 1.00 0.00 H new ATOM 0 HD1 TYR A 53 119.112 4.004 -14.017 1.00 0.00 H new ATOM 0 HD2 TYR A 53 116.005 3.265 -16.837 1.00 0.00 H new ATOM 0 HE1 TYR A 53 120.783 3.818 -15.808 1.00 0.00 H new ATOM 0 HE2 TYR A 53 117.674 3.071 -18.628 1.00 0.00 H new ATOM 0 HH TYR A 53 119.814 3.137 -19.177 1.00 0.00 H new ATOM 672 N SER A 54 116.932 3.812 -11.253 1.00 0.00 N ATOM 673 CA SER A 54 117.712 4.213 -10.083 1.00 0.00 C ATOM 674 C SER A 54 117.446 3.318 -8.875 1.00 0.00 C ATOM 675 O SER A 54 117.786 3.671 -7.746 1.00 0.00 O ATOM 676 CB SER A 54 117.411 5.669 -9.724 1.00 0.00 C ATOM 677 OG SER A 54 116.044 5.976 -9.937 1.00 0.00 O ATOM 0 H SER A 54 116.071 4.342 -11.384 1.00 0.00 H new ATOM 0 HA SER A 54 118.764 4.107 -10.346 1.00 0.00 H new ATOM 0 HB2 SER A 54 117.669 5.850 -8.681 1.00 0.00 H new ATOM 0 HB3 SER A 54 118.033 6.331 -10.326 1.00 0.00 H new ATOM 0 HG SER A 54 115.878 6.912 -9.698 1.00 0.00 H new ATOM 683 N LYS A 55 116.855 2.155 -9.116 1.00 0.00 N ATOM 684 CA LYS A 55 116.564 1.206 -8.044 1.00 0.00 C ATOM 685 C LYS A 55 117.350 -0.085 -8.248 1.00 0.00 C ATOM 686 O LYS A 55 117.659 -0.795 -7.291 1.00 0.00 O ATOM 687 CB LYS A 55 115.067 0.903 -7.979 1.00 0.00 C ATOM 688 CG LYS A 55 114.668 0.079 -6.766 1.00 0.00 C ATOM 689 CD LYS A 55 115.064 0.772 -5.471 1.00 0.00 C ATOM 690 CE LYS A 55 114.154 0.369 -4.321 1.00 0.00 C ATOM 691 NZ LYS A 55 114.369 -1.047 -3.914 1.00 0.00 N ATOM 0 H LYS A 55 116.567 1.844 -10.044 1.00 0.00 H new ATOM 0 HA LYS A 55 116.867 1.658 -7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 55 114.514 1.842 -7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 55 114.772 0.370 -8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 55 113.591 -0.089 -6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 55 115.144 -0.900 -6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 55 116.096 0.522 -5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 55 115.022 1.853 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 55 114.335 1.023 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 55 113.114 0.508 -4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 113.730 -1.283 -3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 114.172 -1.674 -4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 115.355 -1.175 -3.609 1.00 0.00 H new ATOM 705 N SER A 56 117.678 -0.378 -9.504 1.00 0.00 N ATOM 706 CA SER A 56 118.437 -1.580 -9.839 1.00 0.00 C ATOM 707 C SER A 56 119.861 -1.224 -10.256 1.00 0.00 C ATOM 708 O SER A 56 120.754 -2.072 -10.232 1.00 0.00 O ATOM 709 CB SER A 56 117.744 -2.346 -10.966 1.00 0.00 C ATOM 710 OG SER A 56 117.560 -1.524 -12.105 1.00 0.00 O ATOM 0 H SER A 56 117.430 0.201 -10.307 1.00 0.00 H new ATOM 0 HA SER A 56 118.482 -2.211 -8.951 1.00 0.00 H new ATOM 0 HB2 SER A 56 118.339 -3.218 -11.236 1.00 0.00 H new ATOM 0 HB3 SER A 56 116.778 -2.714 -10.619 1.00 0.00 H new ATOM 0 HG SER A 56 116.811 -0.912 -11.949 1.00 0.00 H new ATOM 716 N THR A 57 120.069 0.033 -10.638 1.00 0.00 N ATOM 717 CA THR A 57 121.385 0.499 -11.061 1.00 0.00 C ATOM 718 C THR A 57 122.033 1.374 -9.987 1.00 0.00 C ATOM 719 O THR A 57 123.240 1.615 -10.023 1.00 0.00 O ATOM 720 CB THR A 57 121.271 1.280 -12.371 1.00 0.00 C ATOM 721 OG1 THR A 57 120.715 0.470 -13.391 1.00 0.00 O ATOM 722 CG2 THR A 57 122.599 1.805 -12.874 1.00 0.00 C ATOM 0 H THR A 57 119.342 0.748 -10.663 1.00 0.00 H new ATOM 0 HA THR A 57 122.018 -0.375 -11.216 1.00 0.00 H new ATOM 0 HB THR A 57 120.626 2.129 -12.145 1.00 0.00 H new ATOM 0 HG1 THR A 57 120.649 0.988 -14.220 1.00 0.00 H new ATOM 0 HG21 THR A 57 122.446 2.349 -13.806 1.00 0.00 H new ATOM 0 HG22 THR A 57 123.031 2.474 -12.130 1.00 0.00 H new ATOM 0 HG23 THR A 57 123.278 0.970 -13.048 1.00 0.00 H new ATOM 730 N ALA A 58 121.229 1.854 -9.039 1.00 0.00 N ATOM 731 CA ALA A 58 121.740 2.704 -7.966 1.00 0.00 C ATOM 732 C ALA A 58 121.545 2.053 -6.603 1.00 0.00 C ATOM 733 O ALA A 58 122.404 2.155 -5.728 1.00 0.00 O ATOM 734 CB ALA A 58 121.066 4.068 -8.006 1.00 0.00 C ATOM 0 H ALA A 58 120.227 1.670 -8.992 1.00 0.00 H new ATOM 0 HA ALA A 58 122.811 2.835 -8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 58 121.456 4.691 -7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 58 121.268 4.546 -8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 58 119.990 3.946 -7.881 1.00 0.00 H new ATOM 740 N ALA A 59 120.415 1.378 -6.427 1.00 0.00 N ATOM 741 CA ALA A 59 120.121 0.708 -5.166 1.00 0.00 C ATOM 742 C ALA A 59 120.738 -0.690 -5.127 1.00 0.00 C ATOM 743 O ALA A 59 120.516 -1.447 -4.182 1.00 0.00 O ATOM 744 CB ALA A 59 118.618 0.636 -4.942 1.00 0.00 C ATOM 0 H ALA A 59 119.690 1.280 -7.138 1.00 0.00 H new ATOM 0 HA ALA A 59 120.566 1.292 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 59 118.415 0.133 -3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 59 118.206 1.645 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 59 118.155 0.079 -5.756 1.00 0.00 H new ATOM 750 N MET A 60 121.515 -1.027 -6.155 1.00 0.00 N ATOM 751 CA MET A 60 122.162 -2.331 -6.228 1.00 0.00 C ATOM 752 C MET A 60 123.666 -2.180 -6.430 1.00 0.00 C ATOM 753 O MET A 60 124.460 -2.886 -5.809 1.00 0.00 O ATOM 754 CB MET A 60 121.565 -3.160 -7.367 1.00 0.00 C ATOM 755 CG MET A 60 120.099 -3.505 -7.164 1.00 0.00 C ATOM 756 SD MET A 60 119.523 -4.780 -8.302 1.00 0.00 S ATOM 757 CE MET A 60 118.251 -5.564 -7.315 1.00 0.00 C ATOM 0 H MET A 60 121.710 -0.414 -6.947 1.00 0.00 H new ATOM 0 HA MET A 60 121.988 -2.847 -5.284 1.00 0.00 H new ATOM 0 HB2 MET A 60 121.674 -2.610 -8.302 1.00 0.00 H new ATOM 0 HB3 MET A 60 122.136 -4.083 -7.472 1.00 0.00 H new ATOM 0 HG2 MET A 60 119.948 -3.843 -6.139 1.00 0.00 H new ATOM 0 HG3 MET A 60 119.496 -2.606 -7.296 1.00 0.00 H new ATOM 0 HE1 MET A 60 117.799 -6.377 -7.883 1.00 0.00 H new ATOM 0 HE2 MET A 60 118.693 -5.962 -6.402 1.00 0.00 H new ATOM 0 HE3 MET A 60 117.486 -4.831 -7.058 1.00 0.00 H new ATOM 767 N SER A 61 124.053 -1.251 -7.300 1.00 0.00 N ATOM 768 CA SER A 61 125.463 -1.005 -7.580 1.00 0.00 C ATOM 769 C SER A 61 126.107 -0.197 -6.457 1.00 0.00 C ATOM 770 O SER A 61 127.313 -0.289 -6.225 1.00 0.00 O ATOM 771 CB SER A 61 125.620 -0.272 -8.914 1.00 0.00 C ATOM 772 OG SER A 61 126.200 -1.113 -9.894 1.00 0.00 O ATOM 0 H SER A 61 123.410 -0.657 -7.823 1.00 0.00 H new ATOM 0 HA SER A 61 125.970 -1.968 -7.644 1.00 0.00 H new ATOM 0 HB2 SER A 61 124.646 0.075 -9.259 1.00 0.00 H new ATOM 0 HB3 SER A 61 126.242 0.612 -8.775 1.00 0.00 H new ATOM 0 HG SER A 61 126.288 -0.621 -10.737 1.00 0.00 H new ATOM 778 N THR A 62 125.297 0.596 -5.763 1.00 0.00 N ATOM 779 CA THR A 62 125.789 1.420 -4.665 1.00 0.00 C ATOM 780 C THR A 62 125.819 0.638 -3.351 1.00 0.00 C ATOM 781 O THR A 62 126.129 1.195 -2.298 1.00 0.00 O ATOM 782 CB THR A 62 124.917 2.667 -4.507 1.00 0.00 C ATOM 783 OG1 THR A 62 124.674 3.271 -5.765 1.00 0.00 O ATOM 784 CG2 THR A 62 125.529 3.716 -3.603 1.00 0.00 C ATOM 0 H THR A 62 124.297 0.685 -5.942 1.00 0.00 H new ATOM 0 HA THR A 62 126.809 1.720 -4.906 1.00 0.00 H new ATOM 0 HB THR A 62 123.991 2.316 -4.052 1.00 0.00 H new ATOM 0 HG1 THR A 62 123.893 2.853 -6.183 1.00 0.00 H new ATOM 0 HG21 THR A 62 124.859 4.573 -3.535 1.00 0.00 H new ATOM 0 HG22 THR A 62 125.682 3.295 -2.609 1.00 0.00 H new ATOM 0 HG23 THR A 62 126.487 4.036 -4.013 1.00 0.00 H new ATOM 792 N TYR A 63 125.498 -0.652 -3.416 1.00 0.00 N ATOM 793 CA TYR A 63 125.491 -1.501 -2.239 1.00 0.00 C ATOM 794 C TYR A 63 126.910 -1.831 -1.801 1.00 0.00 C ATOM 795 O TYR A 63 127.179 -2.019 -0.615 1.00 0.00 O ATOM 796 CB TYR A 63 124.739 -2.779 -2.556 1.00 0.00 C ATOM 797 CG TYR A 63 123.622 -3.092 -1.586 1.00 0.00 C ATOM 798 CD1 TYR A 63 122.345 -2.578 -1.777 1.00 0.00 C ATOM 799 CD2 TYR A 63 123.845 -3.900 -0.478 1.00 0.00 C ATOM 800 CE1 TYR A 63 121.322 -2.861 -0.891 1.00 0.00 C ATOM 801 CE2 TYR A 63 122.828 -4.187 0.412 1.00 0.00 C ATOM 802 CZ TYR A 63 121.569 -3.666 0.201 1.00 0.00 C ATOM 803 OH TYR A 63 120.553 -3.949 1.085 1.00 0.00 O ATOM 0 H TYR A 63 125.239 -1.130 -4.279 1.00 0.00 H new ATOM 0 HA TYR A 63 124.999 -0.972 -1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 63 124.323 -2.704 -3.561 1.00 0.00 H new ATOM 0 HB3 TYR A 63 125.444 -3.611 -2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 63 122.149 -1.947 -2.631 1.00 0.00 H new ATOM 0 HD2 TYR A 63 124.830 -4.311 -0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 63 120.335 -2.454 -1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 63 123.018 -4.816 1.269 1.00 0.00 H new ATOM 0 HH TYR A 63 120.892 -4.530 1.798 1.00 0.00 H new ATOM 813 N THR A 64 127.821 -1.889 -2.770 1.00 0.00 N ATOM 814 CA THR A 64 129.221 -2.182 -2.485 1.00 0.00 C ATOM 815 C THR A 64 129.744 -1.235 -1.416 1.00 0.00 C ATOM 816 O THR A 64 130.676 -1.556 -0.680 1.00 0.00 O ATOM 817 CB THR A 64 130.063 -2.060 -3.757 1.00 0.00 C ATOM 818 OG1 THR A 64 129.579 -1.015 -4.581 1.00 0.00 O ATOM 819 CG2 THR A 64 130.083 -3.327 -4.584 1.00 0.00 C ATOM 0 H THR A 64 127.614 -1.737 -3.757 1.00 0.00 H new ATOM 0 HA THR A 64 129.296 -3.206 -2.118 1.00 0.00 H new ATOM 0 HB THR A 64 131.077 -1.853 -3.414 1.00 0.00 H new ATOM 0 HG1 THR A 64 130.131 -0.952 -5.388 1.00 0.00 H new ATOM 0 HG21 THR A 64 130.697 -3.173 -5.471 1.00 0.00 H new ATOM 0 HG22 THR A 64 130.499 -4.142 -3.991 1.00 0.00 H new ATOM 0 HG23 THR A 64 129.067 -3.580 -4.886 1.00 0.00 H new ATOM 827 N GLY A 65 129.110 -0.075 -1.332 1.00 0.00 N ATOM 828 CA GLY A 65 129.489 0.913 -0.344 1.00 0.00 C ATOM 829 C GLY A 65 128.700 0.753 0.940 1.00 0.00 C ATOM 830 O GLY A 65 129.136 1.194 2.004 1.00 0.00 O ATOM 0 H GLY A 65 128.335 0.201 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 65 130.554 0.824 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 65 129.328 1.912 -0.748 1.00 0.00 H new ATOM 834 N ILE A 66 127.537 0.110 0.842 1.00 0.00 N ATOM 835 CA ILE A 66 126.693 -0.118 2.007 1.00 0.00 C ATOM 836 C ILE A 66 126.998 -1.469 2.643 1.00 0.00 C ATOM 837 O ILE A 66 126.563 -1.755 3.760 1.00 0.00 O ATOM 838 CB ILE A 66 125.198 -0.059 1.644 1.00 0.00 C ATOM 839 CG1 ILE A 66 124.909 1.157 0.761 1.00 0.00 C ATOM 840 CG2 ILE A 66 124.350 -0.019 2.905 1.00 0.00 C ATOM 841 CD1 ILE A 66 125.150 2.480 1.456 1.00 0.00 C ATOM 0 H ILE A 66 127.161 -0.260 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 66 126.913 0.678 2.718 1.00 0.00 H new ATOM 0 HB ILE A 66 124.940 -0.958 1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 66 125.534 1.105 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 66 123.872 1.115 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 66 123.295 0.023 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 66 124.537 -0.914 3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 66 124.609 0.864 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 66 124.925 3.297 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 66 124.506 2.553 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 66 126.193 2.543 1.766 1.00 0.00 H new ATOM 853 N PHE A 67 127.747 -2.295 1.926 1.00 0.00 N ATOM 854 CA PHE A 67 128.117 -3.613 2.405 1.00 0.00 C ATOM 855 C PHE A 67 128.992 -3.514 3.648 1.00 0.00 C ATOM 856 O PHE A 67 128.672 -4.073 4.698 1.00 0.00 O ATOM 857 CB PHE A 67 128.855 -4.354 1.297 1.00 0.00 C ATOM 858 CG PHE A 67 128.443 -5.791 1.146 1.00 0.00 C ATOM 859 CD1 PHE A 67 129.033 -6.779 1.917 1.00 0.00 C ATOM 860 CD2 PHE A 67 127.466 -6.154 0.232 1.00 0.00 C ATOM 861 CE1 PHE A 67 128.657 -8.102 1.781 1.00 0.00 C ATOM 862 CE2 PHE A 67 127.085 -7.475 0.091 1.00 0.00 C ATOM 863 CZ PHE A 67 127.682 -8.451 0.867 1.00 0.00 C ATOM 0 H PHE A 67 128.112 -2.069 1.001 1.00 0.00 H new ATOM 0 HA PHE A 67 127.214 -4.160 2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 67 128.686 -3.837 0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 67 129.926 -4.312 1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 67 129.796 -6.512 2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 67 126.997 -5.395 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 67 129.125 -8.862 2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 67 126.322 -7.744 -0.624 1.00 0.00 H new ATOM 0 HZ PHE A 67 127.387 -9.484 0.759 1.00 0.00 H new ATOM 873 N THR A 68 130.097 -2.796 3.518 1.00 0.00 N ATOM 874 CA THR A 68 131.033 -2.612 4.621 1.00 0.00 C ATOM 875 C THR A 68 130.440 -1.714 5.703 1.00 0.00 C ATOM 876 O THR A 68 130.821 -1.799 6.871 1.00 0.00 O ATOM 877 CB THR A 68 132.347 -2.014 4.111 1.00 0.00 C ATOM 878 OG1 THR A 68 132.374 -1.987 2.695 1.00 0.00 O ATOM 879 CG2 THR A 68 133.570 -2.775 4.577 1.00 0.00 C ATOM 0 H THR A 68 130.370 -2.328 2.654 1.00 0.00 H new ATOM 0 HA THR A 68 131.231 -3.591 5.058 1.00 0.00 H new ATOM 0 HB THR A 68 132.383 -1.006 4.525 1.00 0.00 H new ATOM 0 HG1 THR A 68 133.221 -1.600 2.391 1.00 0.00 H new ATOM 0 HG21 THR A 68 134.467 -2.300 4.181 1.00 0.00 H new ATOM 0 HG22 THR A 68 133.608 -2.771 5.666 1.00 0.00 H new ATOM 0 HG23 THR A 68 133.517 -3.803 4.220 1.00 0.00 H new ATOM 887 N ASP A 69 129.511 -0.850 5.307 1.00 0.00 N ATOM 888 CA ASP A 69 128.872 0.067 6.244 1.00 0.00 C ATOM 889 C ASP A 69 128.194 -0.690 7.380 1.00 0.00 C ATOM 890 O ASP A 69 128.131 -0.208 8.509 1.00 0.00 O ATOM 891 CB ASP A 69 127.848 0.942 5.517 1.00 0.00 C ATOM 892 CG ASP A 69 128.487 2.128 4.819 1.00 0.00 C ATOM 893 OD1 ASP A 69 129.734 2.202 4.792 1.00 0.00 O ATOM 894 OD2 ASP A 69 127.740 2.983 4.300 1.00 0.00 O ATOM 0 H ASP A 69 129.184 -0.766 4.344 1.00 0.00 H new ATOM 0 HA ASP A 69 129.648 0.703 6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 69 127.314 0.338 4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 69 127.109 1.301 6.233 1.00 0.00 H new ATOM 899 N GLN A 70 127.690 -1.878 7.071 1.00 0.00 N ATOM 900 CA GLN A 70 127.015 -2.704 8.068 1.00 0.00 C ATOM 901 C GLN A 70 127.986 -3.674 8.739 1.00 0.00 C ATOM 902 O GLN A 70 127.577 -4.525 9.529 1.00 0.00 O ATOM 903 CB GLN A 70 125.865 -3.480 7.424 1.00 0.00 C ATOM 904 CG GLN A 70 124.523 -2.771 7.516 1.00 0.00 C ATOM 905 CD GLN A 70 123.350 -3.723 7.385 1.00 0.00 C ATOM 906 OE1 GLN A 70 122.570 -3.637 6.436 1.00 0.00 O ATOM 907 NE2 GLN A 70 123.220 -4.637 8.339 1.00 0.00 N ATOM 0 H GLN A 70 127.735 -2.292 6.140 1.00 0.00 H new ATOM 0 HA GLN A 70 126.616 -2.039 8.834 1.00 0.00 H new ATOM 0 HB2 GLN A 70 126.101 -3.658 6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 70 125.784 -4.456 7.902 1.00 0.00 H new ATOM 0 HG2 GLN A 70 124.457 -2.248 8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 70 124.461 -2.015 6.733 1.00 0.00 H new ATOM 0 HE21 GLN A 70 123.890 -4.671 9.107 1.00 0.00 H new ATOM 0 HE22 GLN A 70 122.450 -5.305 8.304 1.00 0.00 H new ATOM 916 N VAL A 71 129.272 -3.541 8.426 1.00 0.00 N ATOM 917 CA VAL A 71 130.296 -4.406 9.002 1.00 0.00 C ATOM 918 C VAL A 71 130.896 -3.775 10.249 1.00 0.00 C ATOM 919 O VAL A 71 131.128 -4.452 11.250 1.00 0.00 O ATOM 920 CB VAL A 71 131.418 -4.683 7.985 1.00 0.00 C ATOM 921 CG1 VAL A 71 132.502 -5.566 8.589 1.00 0.00 C ATOM 922 CG2 VAL A 71 130.849 -5.318 6.727 1.00 0.00 C ATOM 0 H VAL A 71 129.630 -2.841 7.776 1.00 0.00 H new ATOM 0 HA VAL A 71 129.817 -5.348 9.270 1.00 0.00 H new ATOM 0 HB VAL A 71 131.874 -3.730 7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 71 133.281 -5.745 7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 71 132.935 -5.069 9.457 1.00 0.00 H new ATOM 0 HG13 VAL A 71 132.067 -6.518 8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 71 131.655 -5.507 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 71 130.362 -6.259 6.983 1.00 0.00 H new ATOM 0 HG23 VAL A 71 130.121 -4.644 6.276 1.00 0.00 H new ATOM 932 N LEU A 72 131.128 -2.470 10.189 1.00 0.00 N ATOM 933 CA LEU A 72 131.682 -1.746 11.317 1.00 0.00 C ATOM 934 C LEU A 72 130.550 -1.189 12.163 1.00 0.00 C ATOM 935 O LEU A 72 130.703 -0.963 13.364 1.00 0.00 O ATOM 936 CB LEU A 72 132.603 -0.614 10.843 1.00 0.00 C ATOM 937 CG LEU A 72 132.148 0.127 9.578 1.00 0.00 C ATOM 938 CD1 LEU A 72 131.968 1.609 9.859 1.00 0.00 C ATOM 939 CD2 LEU A 72 133.146 -0.084 8.448 1.00 0.00 C ATOM 0 H LEU A 72 130.940 -1.894 9.369 1.00 0.00 H new ATOM 0 HA LEU A 72 132.279 -2.432 11.917 1.00 0.00 H new ATOM 0 HB2 LEU A 72 132.703 0.111 11.651 1.00 0.00 H new ATOM 0 HB3 LEU A 72 133.595 -1.029 10.662 1.00 0.00 H new ATOM 0 HG LEU A 72 131.186 -0.282 9.270 1.00 0.00 H new ATOM 0 HD11 LEU A 72 131.645 2.115 8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 72 131.215 1.743 10.636 1.00 0.00 H new ATOM 0 HD13 LEU A 72 132.914 2.033 10.194 1.00 0.00 H new ATOM 0 HD21 LEU A 72 132.807 0.448 7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 72 134.122 0.296 8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 72 133.224 -1.148 8.226 1.00 0.00 H new ATOM 951 N SER A 73 129.404 -0.988 11.521 1.00 0.00 N ATOM 952 CA SER A 73 128.224 -0.473 12.195 1.00 0.00 C ATOM 953 C SER A 73 127.551 -1.561 13.026 1.00 0.00 C ATOM 954 O SER A 73 126.706 -1.276 13.873 1.00 0.00 O ATOM 955 CB SER A 73 127.236 0.078 11.170 1.00 0.00 C ATOM 956 OG SER A 73 126.208 0.823 11.797 1.00 0.00 O ATOM 0 H SER A 73 129.270 -1.176 10.528 1.00 0.00 H new ATOM 0 HA SER A 73 128.537 0.328 12.864 1.00 0.00 H new ATOM 0 HB2 SER A 73 127.764 0.711 10.456 1.00 0.00 H new ATOM 0 HB3 SER A 73 126.799 -0.745 10.604 1.00 0.00 H new ATOM 0 HG SER A 73 126.012 0.435 12.676 1.00 0.00 H new ATOM 962 N VAL A 74 127.920 -2.813 12.769 1.00 0.00 N ATOM 963 CA VAL A 74 127.336 -3.938 13.486 1.00 0.00 C ATOM 964 C VAL A 74 128.394 -4.821 14.144 1.00 0.00 C ATOM 965 O VAL A 74 128.069 -5.644 14.998 1.00 0.00 O ATOM 966 CB VAL A 74 126.511 -4.818 12.534 1.00 0.00 C ATOM 967 CG1 VAL A 74 125.758 -5.888 13.311 1.00 0.00 C ATOM 968 CG2 VAL A 74 125.554 -3.973 11.706 1.00 0.00 C ATOM 0 H VAL A 74 128.618 -3.071 12.072 1.00 0.00 H new ATOM 0 HA VAL A 74 126.702 -3.507 14.261 1.00 0.00 H new ATOM 0 HB VAL A 74 127.197 -5.315 11.849 1.00 0.00 H new ATOM 0 HG11 VAL A 74 125.180 -6.501 12.619 1.00 0.00 H new ATOM 0 HG12 VAL A 74 126.469 -6.517 13.846 1.00 0.00 H new ATOM 0 HG13 VAL A 74 125.085 -5.413 14.025 1.00 0.00 H new ATOM 0 HG21 VAL A 74 124.981 -4.619 11.040 1.00 0.00 H new ATOM 0 HG22 VAL A 74 124.873 -3.440 12.369 1.00 0.00 H new ATOM 0 HG23 VAL A 74 126.122 -3.254 11.115 1.00 0.00 H new ATOM 978 N LEU A 75 129.649 -4.684 13.724 1.00 0.00 N ATOM 979 CA LEU A 75 130.714 -5.524 14.277 1.00 0.00 C ATOM 980 C LEU A 75 131.860 -4.725 14.898 1.00 0.00 C ATOM 981 O LEU A 75 132.748 -5.309 15.519 1.00 0.00 O ATOM 982 CB LEU A 75 131.263 -6.453 13.190 1.00 0.00 C ATOM 983 CG LEU A 75 130.223 -6.962 12.191 1.00 0.00 C ATOM 984 CD1 LEU A 75 130.902 -7.555 10.966 1.00 0.00 C ATOM 985 CD2 LEU A 75 129.309 -7.989 12.847 1.00 0.00 C ATOM 0 H LEU A 75 129.952 -4.014 13.017 1.00 0.00 H new ATOM 0 HA LEU A 75 130.263 -6.103 15.083 1.00 0.00 H new ATOM 0 HB2 LEU A 75 132.044 -5.925 12.642 1.00 0.00 H new ATOM 0 HB3 LEU A 75 131.734 -7.311 13.670 1.00 0.00 H new ATOM 0 HG LEU A 75 129.615 -6.117 11.869 1.00 0.00 H new ATOM 0 HD11 LEU A 75 130.145 -7.911 10.267 1.00 0.00 H new ATOM 0 HD12 LEU A 75 131.511 -6.792 10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 75 131.537 -8.388 11.269 1.00 0.00 H new ATOM 0 HD21 LEU A 75 128.576 -8.340 12.121 1.00 0.00 H new ATOM 0 HD22 LEU A 75 129.903 -8.832 13.199 1.00 0.00 H new ATOM 0 HD23 LEU A 75 128.793 -7.531 13.691 1.00 0.00 H new ATOM 997 N LYS A 76 131.863 -3.404 14.740 1.00 0.00 N ATOM 998 CA LYS A 76 132.936 -2.590 15.306 1.00 0.00 C ATOM 999 C LYS A 76 132.416 -1.662 16.395 1.00 0.00 C ATOM 1000 O LYS A 76 133.195 -1.028 17.107 1.00 0.00 O ATOM 1001 CB LYS A 76 133.592 -1.773 14.204 1.00 0.00 C ATOM 1002 CG LYS A 76 134.954 -2.301 13.780 1.00 0.00 C ATOM 1003 CD LYS A 76 134.865 -3.101 12.490 1.00 0.00 C ATOM 1004 CE LYS A 76 136.226 -3.243 11.827 1.00 0.00 C ATOM 1005 NZ LYS A 76 136.148 -4.022 10.561 1.00 0.00 N ATOM 0 H LYS A 76 131.148 -2.881 14.234 1.00 0.00 H new ATOM 0 HA LYS A 76 133.668 -3.260 15.757 1.00 0.00 H new ATOM 0 HB2 LYS A 76 132.933 -1.755 13.336 1.00 0.00 H new ATOM 0 HB3 LYS A 76 133.701 -0.743 14.543 1.00 0.00 H new ATOM 0 HG2 LYS A 76 135.643 -1.467 13.645 1.00 0.00 H new ATOM 0 HG3 LYS A 76 135.364 -2.929 14.571 1.00 0.00 H new ATOM 0 HD2 LYS A 76 134.457 -4.090 12.701 1.00 0.00 H new ATOM 0 HD3 LYS A 76 134.174 -2.611 11.804 1.00 0.00 H new ATOM 0 HE2 LYS A 76 136.634 -2.254 11.620 1.00 0.00 H new ATOM 0 HE3 LYS A 76 136.915 -3.735 12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 137.096 -4.096 10.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 135.783 -4.975 10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 135.511 -3.540 9.895 1.00 0.00 H new ATOM 1019 N GLY A 77 131.100 -1.571 16.508 1.00 0.00 N ATOM 1020 CA GLY A 77 130.506 -0.699 17.494 1.00 0.00 C ATOM 1021 C GLY A 77 129.783 0.445 16.832 1.00 0.00 C ATOM 1022 O GLY A 77 130.013 1.609 17.159 1.00 0.00 O ATOM 0 H GLY A 77 130.434 -2.087 15.933 1.00 0.00 H new ATOM 0 HA2 GLY A 77 129.810 -1.265 18.114 1.00 0.00 H new ATOM 0 HA3 GLY A 77 131.280 -0.311 18.156 1.00 0.00 H new ATOM 1026 N GLU A 78 128.915 0.104 15.885 1.00 0.00 N ATOM 1027 CA GLU A 78 128.144 1.085 15.150 1.00 0.00 C ATOM 1028 C GLU A 78 129.034 2.175 14.554 1.00 0.00 C ATOM 1029 O GLU A 78 128.849 3.361 14.829 1.00 0.00 O ATOM 1030 CB GLU A 78 127.066 1.673 16.056 1.00 0.00 C ATOM 1031 CG GLU A 78 127.590 2.560 17.175 1.00 0.00 C ATOM 1032 CD GLU A 78 126.555 3.552 17.669 1.00 0.00 C ATOM 1033 OE1 GLU A 78 125.475 3.110 18.112 1.00 0.00 O ATOM 1034 OE2 GLU A 78 126.826 4.769 17.614 1.00 0.00 O ATOM 0 H GLU A 78 128.731 -0.861 15.610 1.00 0.00 H new ATOM 0 HA GLU A 78 127.661 0.587 14.309 1.00 0.00 H new ATOM 0 HB2 GLU A 78 126.374 2.253 15.445 1.00 0.00 H new ATOM 0 HB3 GLU A 78 126.495 0.856 16.496 1.00 0.00 H new ATOM 0 HG2 GLU A 78 127.914 1.935 18.007 1.00 0.00 H new ATOM 0 HG3 GLU A 78 128.468 3.102 16.823 1.00 0.00 H new ATOM 1041 N GLU A 79 129.996 1.770 13.719 1.00 0.00 N ATOM 1042 CA GLU A 79 130.895 2.728 13.087 1.00 0.00 C ATOM 1043 C GLU A 79 131.731 3.457 14.135 1.00 0.00 C ATOM 1044 O GLU A 79 131.587 3.136 15.333 1.00 0.00 O ATOM 1045 CB GLU A 79 130.097 3.740 12.260 1.00 0.00 C ATOM 1046 CG GLU A 79 130.906 4.393 11.151 1.00 0.00 C ATOM 1047 CD GLU A 79 130.406 5.783 10.806 1.00 0.00 C ATOM 1048 OE1 GLU A 79 129.175 5.993 10.822 1.00 0.00 O ATOM 1049 OE2 GLU A 79 131.246 6.661 10.517 1.00 0.00 O ATOM 0 H GLU A 79 130.168 0.796 13.470 1.00 0.00 H new ATOM 0 HA GLU A 79 131.567 2.180 12.426 1.00 0.00 H new ATOM 0 HB2 GLU A 79 129.234 3.239 11.822 1.00 0.00 H new ATOM 0 HB3 GLU A 79 129.713 4.515 12.923 1.00 0.00 H new ATOM 0 HG2 GLU A 79 131.951 4.452 11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 79 130.868 3.766 10.261 1.00 0.00 H new TER 1056 GLU A 79