USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=25 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 -25:sc= 0.402 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00753 USER MOD Single : A 17 GLN : amide:sc= -0.0311 X(o=-0.031,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -117:sc= -0.491 (180deg=-0.636) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 80:sc= 0.872 USER MOD Single : A 24 SER OG : rot 77:sc= 1.23 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 73:sc= 1.24 USER MOD Single : A 34 GLN : amide:sc= -0.0248 X(o=-0.025,f=-0.025) USER MOD Single : A 35 ASN : amide:sc= -2.23 X(o=-2.2,f=-2.7!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= 0.104 (180deg=-0.291) USER MOD Single : A 40 THR OG1 : rot -161:sc= -2.19 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.232) USER MOD Single : A 56 SER OG : rot -85:sc= 1.29 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -159:sc= -0.576 (180deg=-1.29!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -140:sc= -1.64 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 77:sc= 0.417 USER MOD Single : A 70 GLN : amide:sc= 0.833 K(o=0.83,f=0) USER MOD Single : A 73 SER OG : rot 178:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 78.883 3.968 16.023 1.00 0.00 N ATOM 2 CA THR A 13 79.898 5.035 15.820 1.00 0.00 C ATOM 3 C THR A 13 79.281 6.268 15.172 1.00 0.00 C ATOM 4 O THR A 13 78.574 6.169 14.170 1.00 0.00 O ATOM 5 CB THR A 13 81.017 4.483 14.939 1.00 0.00 C ATOM 6 OG1 THR A 13 80.486 3.702 13.884 1.00 0.00 O ATOM 7 CG2 THR A 13 82.008 3.623 15.694 1.00 0.00 C ATOM 0 HA THR A 13 80.296 5.337 16.789 1.00 0.00 H new ATOM 0 HB THR A 13 81.541 5.359 14.557 1.00 0.00 H new ATOM 0 HG1 THR A 13 79.606 3.357 14.143 1.00 0.00 H new ATOM 0 HG21 THR A 13 82.775 3.264 15.008 1.00 0.00 H new ATOM 0 HG22 THR A 13 82.474 4.213 16.483 1.00 0.00 H new ATOM 0 HG23 THR A 13 81.489 2.772 16.135 1.00 0.00 H new ATOM 15 N PHE A 14 79.555 7.431 15.753 1.00 0.00 N ATOM 16 CA PHE A 14 79.027 8.691 15.240 1.00 0.00 C ATOM 17 C PHE A 14 79.989 9.331 14.242 1.00 0.00 C ATOM 18 O PHE A 14 79.563 9.918 13.248 1.00 0.00 O ATOM 19 CB PHE A 14 78.762 9.659 16.396 1.00 0.00 C ATOM 20 CG PHE A 14 77.544 10.511 16.187 1.00 0.00 C ATOM 21 CD1 PHE A 14 76.289 10.046 16.545 1.00 0.00 C ATOM 22 CD2 PHE A 14 77.653 11.769 15.618 1.00 0.00 C ATOM 23 CE1 PHE A 14 75.164 10.824 16.342 1.00 0.00 C ATOM 24 CE2 PHE A 14 76.532 12.550 15.411 1.00 0.00 C ATOM 25 CZ PHE A 14 75.286 12.077 15.774 1.00 0.00 C ATOM 0 H PHE A 14 80.141 7.528 16.582 1.00 0.00 H new ATOM 0 HA PHE A 14 78.092 8.476 14.723 1.00 0.00 H new ATOM 0 HB2 PHE A 14 78.645 9.090 17.318 1.00 0.00 H new ATOM 0 HB3 PHE A 14 79.631 10.304 16.527 1.00 0.00 H new ATOM 0 HD1 PHE A 14 76.188 9.066 16.987 1.00 0.00 H new ATOM 0 HD2 PHE A 14 78.625 12.144 15.333 1.00 0.00 H new ATOM 0 HE1 PHE A 14 74.191 10.452 16.627 1.00 0.00 H new ATOM 0 HE2 PHE A 14 76.630 13.529 14.966 1.00 0.00 H new ATOM 0 HZ PHE A 14 74.409 12.686 15.614 1.00 0.00 H new ATOM 35 N LEU A 15 81.286 9.222 14.516 1.00 0.00 N ATOM 36 CA LEU A 15 82.307 9.804 13.644 1.00 0.00 C ATOM 37 C LEU A 15 83.037 8.730 12.840 1.00 0.00 C ATOM 38 O LEU A 15 83.284 8.899 11.646 1.00 0.00 O ATOM 39 CB LEU A 15 83.313 10.601 14.475 1.00 0.00 C ATOM 40 CG LEU A 15 82.699 11.674 15.376 1.00 0.00 C ATOM 41 CD1 LEU A 15 83.703 12.126 16.426 1.00 0.00 C ATOM 42 CD2 LEU A 15 82.223 12.857 14.547 1.00 0.00 C ATOM 0 H LEU A 15 81.657 8.737 15.333 1.00 0.00 H new ATOM 0 HA LEU A 15 81.805 10.469 12.941 1.00 0.00 H new ATOM 0 HB2 LEU A 15 83.880 9.907 15.096 1.00 0.00 H new ATOM 0 HB3 LEU A 15 84.023 11.078 13.799 1.00 0.00 H new ATOM 0 HG LEU A 15 81.838 11.244 15.887 1.00 0.00 H new ATOM 0 HD11 LEU A 15 83.250 12.889 17.058 1.00 0.00 H new ATOM 0 HD12 LEU A 15 83.996 11.274 17.039 1.00 0.00 H new ATOM 0 HD13 LEU A 15 84.583 12.539 15.934 1.00 0.00 H new ATOM 0 HD21 LEU A 15 81.789 13.611 15.204 1.00 0.00 H new ATOM 0 HD22 LEU A 15 83.068 13.288 14.009 1.00 0.00 H new ATOM 0 HD23 LEU A 15 81.471 12.522 13.833 1.00 0.00 H new ATOM 54 N THR A 16 83.390 7.629 13.499 1.00 0.00 N ATOM 55 CA THR A 16 84.103 6.536 12.840 1.00 0.00 C ATOM 56 C THR A 16 83.396 6.105 11.556 1.00 0.00 C ATOM 57 O THR A 16 84.043 5.728 10.578 1.00 0.00 O ATOM 58 CB THR A 16 84.239 5.341 13.784 1.00 0.00 C ATOM 59 OG1 THR A 16 84.625 5.766 15.079 1.00 0.00 O ATOM 60 CG2 THR A 16 85.253 4.320 13.314 1.00 0.00 C ATOM 0 H THR A 16 83.195 7.469 14.487 1.00 0.00 H new ATOM 0 HA THR A 16 85.096 6.900 12.577 1.00 0.00 H new ATOM 0 HB THR A 16 83.255 4.872 13.800 1.00 0.00 H new ATOM 0 HG1 THR A 16 84.705 4.987 15.669 1.00 0.00 H new ATOM 0 HG21 THR A 16 85.300 3.498 14.029 1.00 0.00 H new ATOM 0 HG22 THR A 16 84.957 3.935 12.338 1.00 0.00 H new ATOM 0 HG23 THR A 16 86.233 4.790 13.236 1.00 0.00 H new ATOM 68 N GLN A 17 82.069 6.162 11.566 1.00 0.00 N ATOM 69 CA GLN A 17 81.282 5.776 10.399 1.00 0.00 C ATOM 70 C GLN A 17 81.341 6.846 9.307 1.00 0.00 C ATOM 71 O GLN A 17 80.848 6.636 8.200 1.00 0.00 O ATOM 72 CB GLN A 17 79.828 5.515 10.800 1.00 0.00 C ATOM 73 CG GLN A 17 79.392 4.073 10.592 1.00 0.00 C ATOM 74 CD GLN A 17 78.065 3.962 9.868 1.00 0.00 C ATOM 75 OE1 GLN A 17 77.941 3.235 8.883 1.00 0.00 O ATOM 76 NE2 GLN A 17 77.064 4.688 10.354 1.00 0.00 N ATOM 0 H GLN A 17 81.516 6.471 12.366 1.00 0.00 H new ATOM 0 HA GLN A 17 81.712 4.859 9.997 1.00 0.00 H new ATOM 0 HB2 GLN A 17 79.696 5.779 11.849 1.00 0.00 H new ATOM 0 HB3 GLN A 17 79.177 6.170 10.222 1.00 0.00 H new ATOM 0 HG2 GLN A 17 80.157 3.545 10.023 1.00 0.00 H new ATOM 0 HG3 GLN A 17 79.316 3.578 11.560 1.00 0.00 H new ATOM 0 HE21 GLN A 17 77.212 5.277 11.173 1.00 0.00 H new ATOM 0 HE22 GLN A 17 76.147 4.656 9.908 1.00 0.00 H new ATOM 85 N VAL A 18 81.946 7.989 9.624 1.00 0.00 N ATOM 86 CA VAL A 18 82.067 9.086 8.664 1.00 0.00 C ATOM 87 C VAL A 18 83.520 9.294 8.256 1.00 0.00 C ATOM 88 O VAL A 18 83.815 9.601 7.101 1.00 0.00 O ATOM 89 CB VAL A 18 81.519 10.403 9.248 1.00 0.00 C ATOM 90 CG1 VAL A 18 81.523 11.499 8.192 1.00 0.00 C ATOM 91 CG2 VAL A 18 80.120 10.199 9.811 1.00 0.00 C ATOM 0 H VAL A 18 82.360 8.180 10.537 1.00 0.00 H new ATOM 0 HA VAL A 18 81.479 8.811 7.788 1.00 0.00 H new ATOM 0 HB VAL A 18 82.171 10.715 10.064 1.00 0.00 H new ATOM 0 HG11 VAL A 18 81.133 12.421 8.623 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.542 11.665 7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 18 80.897 11.198 7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 18 79.751 11.140 10.218 1.00 0.00 H new ATOM 0 HG22 VAL A 18 79.454 9.861 9.017 1.00 0.00 H new ATOM 0 HG23 VAL A 18 80.152 9.449 10.601 1.00 0.00 H new ATOM 101 N LYS A 19 84.427 9.112 9.210 1.00 0.00 N ATOM 102 CA LYS A 19 85.853 9.273 8.953 1.00 0.00 C ATOM 103 C LYS A 19 86.342 8.179 8.021 1.00 0.00 C ATOM 104 O LYS A 19 86.779 8.446 6.902 1.00 0.00 O ATOM 105 CB LYS A 19 86.631 9.216 10.265 1.00 0.00 C ATOM 106 CG LYS A 19 87.059 10.581 10.781 1.00 0.00 C ATOM 107 CD LYS A 19 85.890 11.344 11.384 1.00 0.00 C ATOM 108 CE LYS A 19 85.554 12.585 10.572 1.00 0.00 C ATOM 109 NZ LYS A 19 84.396 12.359 9.664 1.00 0.00 N ATOM 0 H LYS A 19 84.199 8.852 10.170 1.00 0.00 H new ATOM 0 HA LYS A 19 86.016 10.242 8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 19 86.016 8.728 11.021 1.00 0.00 H new ATOM 0 HB3 LYS A 19 87.517 8.596 10.126 1.00 0.00 H new ATOM 0 HG2 LYS A 19 87.840 10.458 11.532 1.00 0.00 H new ATOM 0 HG3 LYS A 19 87.490 11.160 9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 19 85.017 10.693 11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 19 86.132 11.632 12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 19 85.330 13.411 11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 19 86.423 12.881 9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 84.704 12.461 8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 84.020 11.401 9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 83.653 13.058 9.868 1.00 0.00 H new ATOM 123 N GLU A 20 86.251 6.941 8.490 1.00 0.00 N ATOM 124 CA GLU A 20 86.668 5.795 7.698 1.00 0.00 C ATOM 125 C GLU A 20 85.888 5.750 6.389 1.00 0.00 C ATOM 126 O GLU A 20 86.319 5.133 5.415 1.00 0.00 O ATOM 127 CB GLU A 20 86.460 4.498 8.481 1.00 0.00 C ATOM 128 CG GLU A 20 87.574 4.202 9.472 1.00 0.00 C ATOM 129 CD GLU A 20 88.750 3.493 8.830 1.00 0.00 C ATOM 130 OE1 GLU A 20 89.322 4.044 7.866 1.00 0.00 O ATOM 131 OE2 GLU A 20 89.100 2.386 9.292 1.00 0.00 O ATOM 0 H GLU A 20 85.892 6.707 9.415 1.00 0.00 H new ATOM 0 HA GLU A 20 87.730 5.897 7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 20 85.513 4.555 9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 20 86.379 3.668 7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 20 87.916 5.136 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 20 87.181 3.587 10.282 1.00 0.00 H new ATOM 138 N SER A 21 84.736 6.417 6.374 1.00 0.00 N ATOM 139 CA SER A 21 83.898 6.466 5.191 1.00 0.00 C ATOM 140 C SER A 21 84.486 7.427 4.165 1.00 0.00 C ATOM 141 O SER A 21 84.767 7.044 3.029 1.00 0.00 O ATOM 142 CB SER A 21 82.496 6.907 5.591 1.00 0.00 C ATOM 143 OG SER A 21 81.513 6.021 5.082 1.00 0.00 O ATOM 0 H SER A 21 84.366 6.931 7.174 1.00 0.00 H new ATOM 0 HA SER A 21 83.850 5.475 4.739 1.00 0.00 H new ATOM 0 HB2 SER A 21 82.422 6.950 6.678 1.00 0.00 H new ATOM 0 HB3 SER A 21 82.309 7.914 5.218 1.00 0.00 H new ATOM 0 HG SER A 21 80.623 6.327 5.356 1.00 0.00 H new ATOM 149 N LEU A 22 84.678 8.674 4.578 1.00 0.00 N ATOM 150 CA LEU A 22 85.247 9.689 3.701 1.00 0.00 C ATOM 151 C LEU A 22 86.663 9.297 3.298 1.00 0.00 C ATOM 152 O LEU A 22 87.103 9.571 2.181 1.00 0.00 O ATOM 153 CB LEU A 22 85.256 11.050 4.399 1.00 0.00 C ATOM 154 CG LEU A 22 84.887 12.241 3.511 1.00 0.00 C ATOM 155 CD1 LEU A 22 85.820 12.321 2.312 1.00 0.00 C ATOM 156 CD2 LEU A 22 83.438 12.140 3.057 1.00 0.00 C ATOM 0 H LEU A 22 84.448 9.006 5.515 1.00 0.00 H new ATOM 0 HA LEU A 22 84.632 9.761 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 22 84.562 11.014 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 22 86.249 11.221 4.814 1.00 0.00 H new ATOM 0 HG LEU A 22 85.000 13.154 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 22 85.543 13.173 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 22 86.847 12.442 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 22 85.740 11.405 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 22 83.194 12.995 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 22 83.298 11.220 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 22 82.783 12.133 3.928 1.00 0.00 H new ATOM 168 N SER A 23 87.370 8.650 4.219 1.00 0.00 N ATOM 169 CA SER A 23 88.736 8.212 3.966 1.00 0.00 C ATOM 170 C SER A 23 88.754 7.058 2.976 1.00 0.00 C ATOM 171 O SER A 23 89.564 7.034 2.049 1.00 0.00 O ATOM 172 CB SER A 23 89.415 7.795 5.271 1.00 0.00 C ATOM 173 OG SER A 23 89.450 8.869 6.195 1.00 0.00 O ATOM 0 H SER A 23 87.018 8.418 5.148 1.00 0.00 H new ATOM 0 HA SER A 23 89.287 9.048 3.536 1.00 0.00 H new ATOM 0 HB2 SER A 23 88.881 6.952 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 23 90.430 7.456 5.064 1.00 0.00 H new ATOM 0 HG SER A 23 88.579 8.949 6.636 1.00 0.00 H new ATOM 178 N SER A 24 87.850 6.109 3.170 1.00 0.00 N ATOM 179 CA SER A 24 87.758 4.959 2.284 1.00 0.00 C ATOM 180 C SER A 24 87.345 5.403 0.888 1.00 0.00 C ATOM 181 O SER A 24 87.758 4.814 -0.110 1.00 0.00 O ATOM 182 CB SER A 24 86.754 3.944 2.818 1.00 0.00 C ATOM 183 OG SER A 24 87.256 3.281 3.965 1.00 0.00 O ATOM 0 H SER A 24 87.171 6.113 3.931 1.00 0.00 H new ATOM 0 HA SER A 24 88.740 4.487 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 24 85.820 4.448 3.066 1.00 0.00 H new ATOM 0 HB3 SER A 24 86.525 3.213 2.043 1.00 0.00 H new ATOM 0 HG SER A 24 87.193 3.876 4.741 1.00 0.00 H new ATOM 189 N TYR A 25 86.540 6.460 0.827 1.00 0.00 N ATOM 190 CA TYR A 25 86.084 7.000 -0.435 1.00 0.00 C ATOM 191 C TYR A 25 87.282 7.384 -1.291 1.00 0.00 C ATOM 192 O TYR A 25 87.273 7.226 -2.512 1.00 0.00 O ATOM 193 CB TYR A 25 85.209 8.215 -0.157 1.00 0.00 C ATOM 194 CG TYR A 25 83.904 8.221 -0.919 1.00 0.00 C ATOM 195 CD1 TYR A 25 83.883 8.108 -2.303 1.00 0.00 C ATOM 196 CD2 TYR A 25 82.691 8.337 -0.252 1.00 0.00 C ATOM 197 CE1 TYR A 25 82.690 8.111 -3.000 1.00 0.00 C ATOM 198 CE2 TYR A 25 81.494 8.341 -0.942 1.00 0.00 C ATOM 199 CZ TYR A 25 81.499 8.228 -2.316 1.00 0.00 C ATOM 200 OH TYR A 25 80.309 8.231 -3.006 1.00 0.00 O ATOM 0 H TYR A 25 86.192 6.957 1.647 1.00 0.00 H new ATOM 0 HA TYR A 25 85.502 6.255 -0.977 1.00 0.00 H new ATOM 0 HB2 TYR A 25 84.994 8.258 0.911 1.00 0.00 H new ATOM 0 HB3 TYR A 25 85.768 9.117 -0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 25 84.814 8.016 -2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 25 82.683 8.426 0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 25 82.691 8.022 -4.076 1.00 0.00 H new ATOM 0 HE2 TYR A 25 80.560 8.432 -0.408 1.00 0.00 H new ATOM 0 HH TYR A 25 79.565 8.320 -2.374 1.00 0.00 H new ATOM 210 N TRP A 26 88.323 7.869 -0.621 1.00 0.00 N ATOM 211 CA TRP A 26 89.558 8.266 -1.286 1.00 0.00 C ATOM 212 C TRP A 26 90.590 7.145 -1.211 1.00 0.00 C ATOM 213 O TRP A 26 91.547 7.119 -1.985 1.00 0.00 O ATOM 214 CB TRP A 26 90.122 9.533 -0.638 1.00 0.00 C ATOM 215 CG TRP A 26 89.317 10.760 -0.936 1.00 0.00 C ATOM 216 CD1 TRP A 26 87.989 10.947 -0.683 1.00 0.00 C ATOM 217 CD2 TRP A 26 89.785 11.966 -1.549 1.00 0.00 C ATOM 218 NE1 TRP A 26 87.601 12.195 -1.106 1.00 0.00 N ATOM 219 CE2 TRP A 26 88.686 12.842 -1.639 1.00 0.00 C ATOM 220 CE3 TRP A 26 91.027 12.392 -2.030 1.00 0.00 C ATOM 221 CZ2 TRP A 26 88.792 14.115 -2.190 1.00 0.00 C ATOM 222 CZ3 TRP A 26 91.130 13.656 -2.576 1.00 0.00 C ATOM 223 CH2 TRP A 26 90.019 14.505 -2.653 1.00 0.00 C ATOM 0 H TRP A 26 88.334 7.997 0.391 1.00 0.00 H new ATOM 0 HA TRP A 26 89.335 8.468 -2.334 1.00 0.00 H new ATOM 0 HB2 TRP A 26 90.168 9.391 0.442 1.00 0.00 H new ATOM 0 HB3 TRP A 26 91.145 9.685 -0.984 1.00 0.00 H new ATOM 0 HD1 TRP A 26 87.339 10.221 -0.218 1.00 0.00 H new ATOM 0 HE1 TRP A 26 86.658 12.578 -1.035 1.00 0.00 H new ATOM 0 HE3 TRP A 26 91.890 11.744 -1.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 87.937 14.772 -2.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 92.084 13.996 -2.950 1.00 0.00 H new ATOM 0 HH2 TRP A 26 90.133 15.488 -3.087 1.00 0.00 H new ATOM 234 N GLU A 27 90.390 6.215 -0.277 1.00 0.00 N ATOM 235 CA GLU A 27 91.311 5.096 -0.109 1.00 0.00 C ATOM 236 C GLU A 27 91.254 4.157 -1.309 1.00 0.00 C ATOM 237 O GLU A 27 92.278 3.633 -1.745 1.00 0.00 O ATOM 238 CB GLU A 27 90.986 4.328 1.173 1.00 0.00 C ATOM 239 CG GLU A 27 92.191 3.632 1.788 1.00 0.00 C ATOM 240 CD GLU A 27 92.063 2.121 1.780 1.00 0.00 C ATOM 241 OE1 GLU A 27 91.292 1.596 0.948 1.00 0.00 O ATOM 242 OE2 GLU A 27 92.731 1.463 2.605 1.00 0.00 O ATOM 0 H GLU A 27 89.602 6.216 0.371 1.00 0.00 H new ATOM 0 HA GLU A 27 92.321 5.498 -0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 27 90.564 5.019 1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 27 90.219 3.585 0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 27 93.089 3.919 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 27 92.319 3.976 2.814 1.00 0.00 H new ATOM 249 N SER A 28 90.053 3.954 -1.842 1.00 0.00 N ATOM 250 CA SER A 28 89.876 3.081 -2.994 1.00 0.00 C ATOM 251 C SER A 28 90.609 3.645 -4.202 1.00 0.00 C ATOM 252 O SER A 28 91.213 2.903 -4.977 1.00 0.00 O ATOM 253 CB SER A 28 88.392 2.906 -3.310 1.00 0.00 C ATOM 254 OG SER A 28 88.189 2.574 -4.674 1.00 0.00 O ATOM 0 H SER A 28 89.193 4.380 -1.496 1.00 0.00 H new ATOM 0 HA SER A 28 90.296 2.104 -2.754 1.00 0.00 H new ATOM 0 HB2 SER A 28 87.974 2.123 -2.677 1.00 0.00 H new ATOM 0 HB3 SER A 28 87.857 3.826 -3.074 1.00 0.00 H new ATOM 0 HG SER A 28 87.230 2.467 -4.845 1.00 0.00 H new ATOM 260 N ALA A 29 90.574 4.966 -4.343 1.00 0.00 N ATOM 261 CA ALA A 29 91.260 5.624 -5.442 1.00 0.00 C ATOM 262 C ALA A 29 92.749 5.351 -5.335 1.00 0.00 C ATOM 263 O ALA A 29 93.437 5.153 -6.337 1.00 0.00 O ATOM 264 CB ALA A 29 90.985 7.121 -5.426 1.00 0.00 C ATOM 0 H ALA A 29 90.080 5.597 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 29 90.889 5.228 -6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 29 91.507 7.596 -6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 29 89.913 7.295 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 29 91.337 7.546 -4.486 1.00 0.00 H new ATOM 270 N LYS A 30 93.229 5.314 -4.097 1.00 0.00 N ATOM 271 CA LYS A 30 94.633 5.038 -3.823 1.00 0.00 C ATOM 272 C LYS A 30 94.903 3.539 -3.899 1.00 0.00 C ATOM 273 O LYS A 30 96.032 3.113 -4.144 1.00 0.00 O ATOM 274 CB LYS A 30 95.022 5.575 -2.443 1.00 0.00 C ATOM 275 CG LYS A 30 96.130 6.615 -2.487 1.00 0.00 C ATOM 276 CD LYS A 30 96.792 6.783 -1.127 1.00 0.00 C ATOM 277 CE LYS A 30 96.440 8.120 -0.494 1.00 0.00 C ATOM 278 NZ LYS A 30 95.043 8.138 0.025 1.00 0.00 N ATOM 0 H LYS A 30 92.662 5.473 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 30 95.238 5.541 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 30 94.142 6.013 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 30 95.340 4.743 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.878 6.320 -3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 30 95.720 7.571 -2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 30 96.479 5.974 -0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 30 97.874 6.705 -1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 30 97.133 8.330 0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 30 96.564 8.914 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 94.842 9.066 0.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 94.380 7.963 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 94.931 7.397 0.746 1.00 0.00 H new ATOM 292 N THR A 31 93.856 2.741 -3.692 1.00 0.00 N ATOM 293 CA THR A 31 93.978 1.294 -3.743 1.00 0.00 C ATOM 294 C THR A 31 94.148 0.824 -5.181 1.00 0.00 C ATOM 295 O THR A 31 94.988 -0.030 -5.471 1.00 0.00 O ATOM 296 CB THR A 31 92.742 0.647 -3.126 1.00 0.00 C ATOM 297 OG1 THR A 31 92.624 0.989 -1.756 1.00 0.00 O ATOM 298 CG2 THR A 31 92.745 -0.859 -3.225 1.00 0.00 C ATOM 0 H THR A 31 92.915 3.078 -3.488 1.00 0.00 H new ATOM 0 HA THR A 31 94.859 0.998 -3.174 1.00 0.00 H new ATOM 0 HB THR A 31 91.899 1.031 -3.700 1.00 0.00 H new ATOM 0 HG1 THR A 31 92.337 1.923 -1.675 1.00 0.00 H new ATOM 0 HG21 THR A 31 91.839 -1.256 -2.767 1.00 0.00 H new ATOM 0 HG22 THR A 31 92.781 -1.155 -4.274 1.00 0.00 H new ATOM 0 HG23 THR A 31 93.617 -1.256 -2.706 1.00 0.00 H new ATOM 306 N ALA A 32 93.353 1.393 -6.081 1.00 0.00 N ATOM 307 CA ALA A 32 93.424 1.042 -7.493 1.00 0.00 C ATOM 308 C ALA A 32 94.835 1.260 -8.019 1.00 0.00 C ATOM 309 O ALA A 32 95.242 0.663 -9.016 1.00 0.00 O ATOM 310 CB ALA A 32 92.421 1.857 -8.297 1.00 0.00 C ATOM 0 H ALA A 32 92.652 2.099 -5.857 1.00 0.00 H new ATOM 0 HA ALA A 32 93.172 -0.013 -7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 32 92.488 1.581 -9.349 1.00 0.00 H new ATOM 0 HB2 ALA A 32 91.413 1.656 -7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 32 92.642 2.919 -8.185 1.00 0.00 H new ATOM 316 N ALA A 33 95.582 2.114 -7.326 1.00 0.00 N ATOM 317 CA ALA A 33 96.957 2.410 -7.706 1.00 0.00 C ATOM 318 C ALA A 33 97.906 1.374 -7.116 1.00 0.00 C ATOM 319 O ALA A 33 98.943 1.061 -7.700 1.00 0.00 O ATOM 320 CB ALA A 33 97.342 3.809 -7.247 1.00 0.00 C ATOM 0 H ALA A 33 95.257 2.613 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 33 97.035 2.369 -8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 33 98.372 4.017 -7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 33 96.680 4.539 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 33 97.251 3.874 -6.163 1.00 0.00 H new ATOM 326 N GLN A 34 97.536 0.839 -5.955 1.00 0.00 N ATOM 327 CA GLN A 34 98.347 -0.169 -5.281 1.00 0.00 C ATOM 328 C GLN A 34 98.266 -1.502 -6.016 1.00 0.00 C ATOM 329 O GLN A 34 99.232 -2.262 -6.054 1.00 0.00 O ATOM 330 CB GLN A 34 97.880 -0.340 -3.835 1.00 0.00 C ATOM 331 CG GLN A 34 98.751 0.388 -2.823 1.00 0.00 C ATOM 332 CD GLN A 34 98.249 1.785 -2.519 1.00 0.00 C ATOM 333 OE1 GLN A 34 97.315 1.966 -1.736 1.00 0.00 O ATOM 334 NE2 GLN A 34 98.866 2.785 -3.138 1.00 0.00 N ATOM 0 H GLN A 34 96.679 1.088 -5.462 1.00 0.00 H new ATOM 0 HA GLN A 34 99.384 0.166 -5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 34 96.856 0.023 -3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 34 97.864 -1.402 -3.590 1.00 0.00 H new ATOM 0 HG2 GLN A 34 98.788 -0.190 -1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 34 99.771 0.447 -3.203 1.00 0.00 H new ATOM 0 HE21 GLN A 34 99.635 2.591 -3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 34 98.570 3.747 -2.972 1.00 0.00 H new ATOM 343 N ASN A 35 97.102 -1.777 -6.596 1.00 0.00 N ATOM 344 CA ASN A 35 96.878 -3.011 -7.333 1.00 0.00 C ATOM 345 C ASN A 35 97.970 -3.243 -8.371 1.00 0.00 C ATOM 346 O ASN A 35 98.512 -4.340 -8.495 1.00 0.00 O ATOM 347 CB ASN A 35 95.519 -2.937 -8.014 1.00 0.00 C ATOM 348 CG ASN A 35 94.767 -4.253 -7.963 1.00 0.00 C ATOM 349 OD1 ASN A 35 94.596 -4.923 -8.981 1.00 0.00 O ATOM 350 ND2 ASN A 35 94.315 -4.630 -6.773 1.00 0.00 N ATOM 0 H ASN A 35 96.294 -1.155 -6.568 1.00 0.00 H new ATOM 0 HA ASN A 35 96.903 -3.847 -6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 35 94.920 -2.162 -7.537 1.00 0.00 H new ATOM 0 HB3 ASN A 35 95.654 -2.640 -9.054 1.00 0.00 H new ATOM 0 HD21 ASN A 35 93.803 -5.507 -6.676 1.00 0.00 H new ATOM 0 HD22 ASN A 35 94.480 -4.043 -5.955 1.00 0.00 H new ATOM 357 N LEU A 36 98.297 -2.199 -9.111 1.00 0.00 N ATOM 358 CA LEU A 36 99.323 -2.269 -10.126 1.00 0.00 C ATOM 359 C LEU A 36 100.646 -2.773 -9.548 1.00 0.00 C ATOM 360 O LEU A 36 101.543 -3.175 -10.286 1.00 0.00 O ATOM 361 CB LEU A 36 99.499 -0.878 -10.710 1.00 0.00 C ATOM 362 CG LEU A 36 99.319 -0.774 -12.225 1.00 0.00 C ATOM 363 CD1 LEU A 36 97.850 -0.596 -12.577 1.00 0.00 C ATOM 364 CD2 LEU A 36 100.145 0.376 -12.781 1.00 0.00 C ATOM 0 H LEU A 36 97.858 -1.283 -9.023 1.00 0.00 H new ATOM 0 HA LEU A 36 99.022 -2.975 -10.900 1.00 0.00 H new ATOM 0 HB2 LEU A 36 98.786 -0.208 -10.230 1.00 0.00 H new ATOM 0 HB3 LEU A 36 100.496 -0.519 -10.454 1.00 0.00 H new ATOM 0 HG LEU A 36 99.670 -1.701 -12.678 1.00 0.00 H new ATOM 0 HD11 LEU A 36 97.741 -0.524 -13.659 1.00 0.00 H new ATOM 0 HD12 LEU A 36 97.282 -1.452 -12.212 1.00 0.00 H new ATOM 0 HD13 LEU A 36 97.472 0.315 -12.113 1.00 0.00 H new ATOM 0 HD21 LEU A 36 100.005 0.436 -13.860 1.00 0.00 H new ATOM 0 HD22 LEU A 36 99.823 1.311 -12.321 1.00 0.00 H new ATOM 0 HD23 LEU A 36 101.199 0.207 -12.560 1.00 0.00 H new ATOM 376 N TYR A 37 100.765 -2.732 -8.224 1.00 0.00 N ATOM 377 CA TYR A 37 101.988 -3.170 -7.548 1.00 0.00 C ATOM 378 C TYR A 37 101.710 -4.228 -6.484 1.00 0.00 C ATOM 379 O TYR A 37 102.004 -5.411 -6.667 1.00 0.00 O ATOM 380 CB TYR A 37 102.683 -1.965 -6.906 1.00 0.00 C ATOM 381 CG TYR A 37 103.809 -1.407 -7.743 1.00 0.00 C ATOM 382 CD1 TYR A 37 103.548 -0.592 -8.836 1.00 0.00 C ATOM 383 CD2 TYR A 37 105.133 -1.704 -7.446 1.00 0.00 C ATOM 384 CE1 TYR A 37 104.574 -0.089 -9.612 1.00 0.00 C ATOM 385 CE2 TYR A 37 106.165 -1.202 -8.216 1.00 0.00 C ATOM 386 CZ TYR A 37 105.881 -0.396 -9.297 1.00 0.00 C ATOM 387 OH TYR A 37 106.907 0.104 -10.067 1.00 0.00 O ATOM 0 H TYR A 37 100.032 -2.401 -7.596 1.00 0.00 H new ATOM 0 HA TYR A 37 102.636 -3.621 -8.300 1.00 0.00 H new ATOM 0 HB2 TYR A 37 101.947 -1.181 -6.731 1.00 0.00 H new ATOM 0 HB3 TYR A 37 103.075 -2.257 -5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 37 102.526 -0.347 -9.084 1.00 0.00 H new ATOM 0 HD2 TYR A 37 105.359 -2.337 -6.601 1.00 0.00 H new ATOM 0 HE1 TYR A 37 104.354 0.541 -10.461 1.00 0.00 H new ATOM 0 HE2 TYR A 37 107.190 -1.440 -7.972 1.00 0.00 H new ATOM 0 HH TYR A 37 107.765 -0.206 -9.710 1.00 0.00 H new ATOM 397 N GLU A 38 101.168 -3.776 -5.368 1.00 0.00 N ATOM 398 CA GLU A 38 100.859 -4.647 -4.235 1.00 0.00 C ATOM 399 C GLU A 38 100.056 -5.871 -4.654 1.00 0.00 C ATOM 400 O GLU A 38 100.310 -6.980 -4.184 1.00 0.00 O ATOM 401 CB GLU A 38 100.093 -3.865 -3.164 1.00 0.00 C ATOM 402 CG GLU A 38 100.521 -4.197 -1.745 1.00 0.00 C ATOM 403 CD GLU A 38 101.876 -3.614 -1.392 1.00 0.00 C ATOM 404 OE1 GLU A 38 101.953 -2.387 -1.165 1.00 0.00 O ATOM 405 OE2 GLU A 38 102.859 -4.381 -1.343 1.00 0.00 O ATOM 0 H GLU A 38 100.928 -2.797 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 38 101.807 -4.998 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 38 100.232 -2.798 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 38 99.027 -4.069 -3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 38 99.774 -3.819 -1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 38 100.553 -5.280 -1.623 1.00 0.00 H new ATOM 412 N LYS A 39 99.085 -5.664 -5.528 1.00 0.00 N ATOM 413 CA LYS A 39 98.242 -6.760 -5.997 1.00 0.00 C ATOM 414 C LYS A 39 99.053 -7.769 -6.814 1.00 0.00 C ATOM 415 O LYS A 39 98.603 -8.892 -7.036 1.00 0.00 O ATOM 416 CB LYS A 39 97.068 -6.217 -6.816 1.00 0.00 C ATOM 417 CG LYS A 39 96.289 -7.278 -7.576 1.00 0.00 C ATOM 418 CD LYS A 39 95.492 -8.166 -6.636 1.00 0.00 C ATOM 419 CE LYS A 39 95.230 -9.533 -7.246 1.00 0.00 C ATOM 420 NZ LYS A 39 94.678 -9.430 -8.626 1.00 0.00 N ATOM 0 H LYS A 39 98.859 -4.753 -5.928 1.00 0.00 H new ATOM 0 HA LYS A 39 97.845 -7.280 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 39 96.386 -5.692 -6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 39 97.446 -5.482 -7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 39 95.614 -6.797 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 39 96.978 -7.889 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 39 96.035 -8.283 -5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 39 94.543 -7.685 -6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 39 96.158 -10.104 -7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 39 94.532 -10.084 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 94.190 -10.315 -8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 94.005 -8.639 -8.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 95.454 -9.265 -9.299 1.00 0.00 H new ATOM 434 N THR A 40 100.255 -7.370 -7.240 1.00 0.00 N ATOM 435 CA THR A 40 101.145 -8.236 -8.010 1.00 0.00 C ATOM 436 C THR A 40 100.743 -8.321 -9.483 1.00 0.00 C ATOM 437 O THR A 40 101.600 -8.408 -10.357 1.00 0.00 O ATOM 438 CB THR A 40 101.166 -9.620 -7.372 1.00 0.00 C ATOM 439 OG1 THR A 40 102.491 -10.099 -7.234 1.00 0.00 O ATOM 440 CG2 THR A 40 100.374 -10.662 -8.128 1.00 0.00 C ATOM 0 H THR A 40 100.635 -6.441 -7.060 1.00 0.00 H new ATOM 0 HA THR A 40 102.145 -7.804 -7.989 1.00 0.00 H new ATOM 0 HB THR A 40 100.695 -9.478 -6.400 1.00 0.00 H new ATOM 0 HG1 THR A 40 102.476 -11.071 -7.114 1.00 0.00 H new ATOM 0 HG21 THR A 40 100.440 -11.618 -7.608 1.00 0.00 H new ATOM 0 HG22 THR A 40 99.330 -10.353 -8.188 1.00 0.00 H new ATOM 0 HG23 THR A 40 100.779 -10.768 -9.134 1.00 0.00 H new ATOM 448 N TYR A 41 99.437 -8.315 -9.730 1.00 0.00 N ATOM 449 CA TYR A 41 98.869 -8.404 -11.077 1.00 0.00 C ATOM 450 C TYR A 41 99.847 -7.999 -12.182 1.00 0.00 C ATOM 451 O TYR A 41 100.018 -8.723 -13.163 1.00 0.00 O ATOM 452 CB TYR A 41 97.616 -7.541 -11.135 1.00 0.00 C ATOM 453 CG TYR A 41 96.549 -8.074 -12.066 1.00 0.00 C ATOM 454 CD1 TYR A 41 96.855 -8.439 -13.370 1.00 0.00 C ATOM 455 CD2 TYR A 41 95.233 -8.207 -11.638 1.00 0.00 C ATOM 456 CE1 TYR A 41 95.880 -8.923 -14.224 1.00 0.00 C ATOM 457 CE2 TYR A 41 94.254 -8.690 -12.485 1.00 0.00 C ATOM 458 CZ TYR A 41 94.582 -9.046 -13.776 1.00 0.00 C ATOM 459 OH TYR A 41 93.609 -9.526 -14.622 1.00 0.00 O ATOM 0 H TYR A 41 98.733 -8.248 -8.995 1.00 0.00 H new ATOM 0 HA TYR A 41 98.630 -9.451 -11.264 1.00 0.00 H new ATOM 0 HB2 TYR A 41 97.199 -7.455 -10.132 1.00 0.00 H new ATOM 0 HB3 TYR A 41 97.893 -6.536 -11.453 1.00 0.00 H new ATOM 0 HD1 TYR A 41 97.871 -8.344 -13.724 1.00 0.00 H new ATOM 0 HD2 TYR A 41 94.972 -7.928 -10.628 1.00 0.00 H new ATOM 0 HE1 TYR A 41 96.134 -9.203 -15.236 1.00 0.00 H new ATOM 0 HE2 TYR A 41 93.236 -8.788 -12.137 1.00 0.00 H new ATOM 0 HH TYR A 41 92.750 -9.551 -14.151 1.00 0.00 H new ATOM 469 N LEU A 42 100.481 -6.845 -12.025 1.00 0.00 N ATOM 470 CA LEU A 42 101.438 -6.359 -13.019 1.00 0.00 C ATOM 471 C LEU A 42 102.574 -7.364 -13.223 1.00 0.00 C ATOM 472 O LEU A 42 102.690 -8.339 -12.482 1.00 0.00 O ATOM 473 CB LEU A 42 102.007 -5.000 -12.593 1.00 0.00 C ATOM 474 CG LEU A 42 101.229 -3.767 -13.076 1.00 0.00 C ATOM 475 CD1 LEU A 42 102.041 -2.499 -12.841 1.00 0.00 C ATOM 476 CD2 LEU A 42 100.860 -3.892 -14.548 1.00 0.00 C ATOM 0 H LEU A 42 100.353 -6.227 -11.223 1.00 0.00 H new ATOM 0 HA LEU A 42 100.911 -6.241 -13.966 1.00 0.00 H new ATOM 0 HB2 LEU A 42 102.054 -4.973 -11.504 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.031 -4.926 -12.958 1.00 0.00 H new ATOM 0 HG LEU A 42 100.306 -3.706 -12.499 1.00 0.00 H new ATOM 0 HD11 LEU A 42 101.475 -1.635 -13.189 1.00 0.00 H new ATOM 0 HD12 LEU A 42 102.249 -2.392 -11.776 1.00 0.00 H new ATOM 0 HD13 LEU A 42 102.981 -2.562 -13.389 1.00 0.00 H new ATOM 0 HD21 LEU A 42 100.310 -3.005 -14.862 1.00 0.00 H new ATOM 0 HD22 LEU A 42 101.768 -3.986 -15.144 1.00 0.00 H new ATOM 0 HD23 LEU A 42 100.238 -4.775 -14.693 1.00 0.00 H new ATOM 488 N PRO A 43 103.429 -7.142 -14.239 1.00 0.00 N ATOM 489 CA PRO A 43 104.557 -8.037 -14.545 1.00 0.00 C ATOM 490 C PRO A 43 105.491 -8.278 -13.356 1.00 0.00 C ATOM 491 O PRO A 43 106.411 -9.090 -13.444 1.00 0.00 O ATOM 492 CB PRO A 43 105.304 -7.304 -15.662 1.00 0.00 C ATOM 493 CG PRO A 43 104.281 -6.425 -16.291 1.00 0.00 C ATOM 494 CD PRO A 43 103.357 -6.011 -15.182 1.00 0.00 C ATOM 0 HA PRO A 43 104.202 -9.031 -14.817 1.00 0.00 H new ATOM 0 HB2 PRO A 43 106.136 -6.722 -15.266 1.00 0.00 H new ATOM 0 HB3 PRO A 43 105.721 -8.005 -16.385 1.00 0.00 H new ATOM 0 HG2 PRO A 43 104.746 -5.556 -16.757 1.00 0.00 H new ATOM 0 HG3 PRO A 43 103.739 -6.955 -17.074 1.00 0.00 H new ATOM 0 HD2 PRO A 43 103.679 -5.079 -14.717 1.00 0.00 H new ATOM 0 HD3 PRO A 43 102.341 -5.853 -15.543 1.00 0.00 H new ATOM 502 N ALA A 44 105.262 -7.573 -12.248 1.00 0.00 N ATOM 503 CA ALA A 44 106.099 -7.731 -11.063 1.00 0.00 C ATOM 504 C ALA A 44 105.689 -8.951 -10.236 1.00 0.00 C ATOM 505 O ALA A 44 106.086 -9.082 -9.077 1.00 0.00 O ATOM 506 CB ALA A 44 106.042 -6.473 -10.209 1.00 0.00 C ATOM 0 H ALA A 44 104.509 -6.892 -12.148 1.00 0.00 H new ATOM 0 HA ALA A 44 107.123 -7.891 -11.401 1.00 0.00 H new ATOM 0 HB1 ALA A 44 106.670 -6.603 -9.328 1.00 0.00 H new ATOM 0 HB2 ALA A 44 106.401 -5.623 -10.789 1.00 0.00 H new ATOM 0 HB3 ALA A 44 105.013 -6.291 -9.898 1.00 0.00 H new ATOM 512 N VAL A 45 104.897 -9.843 -10.829 1.00 0.00 N ATOM 513 CA VAL A 45 104.446 -11.046 -10.137 1.00 0.00 C ATOM 514 C VAL A 45 105.625 -11.871 -9.633 1.00 0.00 C ATOM 515 O VAL A 45 105.597 -12.399 -8.522 1.00 0.00 O ATOM 516 CB VAL A 45 103.582 -11.933 -11.055 1.00 0.00 C ATOM 517 CG1 VAL A 45 102.940 -13.063 -10.262 1.00 0.00 C ATOM 518 CG2 VAL A 45 102.524 -11.102 -11.767 1.00 0.00 C ATOM 0 H VAL A 45 104.556 -9.754 -11.786 1.00 0.00 H new ATOM 0 HA VAL A 45 103.848 -10.711 -9.290 1.00 0.00 H new ATOM 0 HB VAL A 45 104.231 -12.375 -11.811 1.00 0.00 H new ATOM 0 HG11 VAL A 45 102.335 -13.677 -10.929 1.00 0.00 H new ATOM 0 HG12 VAL A 45 103.718 -13.678 -9.809 1.00 0.00 H new ATOM 0 HG13 VAL A 45 102.307 -12.644 -9.479 1.00 0.00 H new ATOM 0 HG21 VAL A 45 101.926 -11.748 -12.410 1.00 0.00 H new ATOM 0 HG22 VAL A 45 101.878 -10.625 -11.029 1.00 0.00 H new ATOM 0 HG23 VAL A 45 103.009 -10.337 -12.373 1.00 0.00 H new ATOM 528 N ASP A 46 106.658 -11.985 -10.463 1.00 0.00 N ATOM 529 CA ASP A 46 107.846 -12.753 -10.108 1.00 0.00 C ATOM 530 C ASP A 46 108.582 -12.126 -8.930 1.00 0.00 C ATOM 531 O ASP A 46 109.226 -12.824 -8.146 1.00 0.00 O ATOM 532 CB ASP A 46 108.784 -12.865 -11.314 1.00 0.00 C ATOM 533 CG ASP A 46 109.004 -14.301 -11.746 1.00 0.00 C ATOM 534 OD1 ASP A 46 108.033 -14.938 -12.207 1.00 0.00 O ATOM 535 OD2 ASP A 46 110.147 -14.789 -11.624 1.00 0.00 O ATOM 0 H ASP A 46 106.696 -11.555 -11.387 1.00 0.00 H new ATOM 0 HA ASP A 46 107.522 -13.750 -9.811 1.00 0.00 H new ATOM 0 HB2 ASP A 46 108.369 -12.298 -12.147 1.00 0.00 H new ATOM 0 HB3 ASP A 46 109.744 -12.412 -11.067 1.00 0.00 H new ATOM 540 N GLU A 47 108.489 -10.807 -8.808 1.00 0.00 N ATOM 541 CA GLU A 47 109.153 -10.099 -7.722 1.00 0.00 C ATOM 542 C GLU A 47 108.361 -10.220 -6.426 1.00 0.00 C ATOM 543 O GLU A 47 108.913 -10.553 -5.380 1.00 0.00 O ATOM 544 CB GLU A 47 109.340 -8.625 -8.079 1.00 0.00 C ATOM 545 CG GLU A 47 109.981 -8.405 -9.438 1.00 0.00 C ATOM 546 CD GLU A 47 111.449 -8.782 -9.458 1.00 0.00 C ATOM 547 OE1 GLU A 47 111.751 -9.989 -9.560 1.00 0.00 O ATOM 548 OE2 GLU A 47 112.298 -7.870 -9.371 1.00 0.00 O ATOM 0 H GLU A 47 107.963 -10.209 -9.445 1.00 0.00 H new ATOM 0 HA GLU A 47 110.131 -10.557 -7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 47 108.369 -8.129 -8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 47 109.956 -8.150 -7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 47 109.449 -8.992 -10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 47 109.875 -7.358 -9.720 1.00 0.00 H new ATOM 555 N LYS A 48 107.060 -9.955 -6.499 1.00 0.00 N ATOM 556 CA LYS A 48 106.201 -10.045 -5.323 1.00 0.00 C ATOM 557 C LYS A 48 106.421 -11.370 -4.604 1.00 0.00 C ATOM 558 O LYS A 48 106.395 -11.439 -3.375 1.00 0.00 O ATOM 559 CB LYS A 48 104.732 -9.905 -5.726 1.00 0.00 C ATOM 560 CG LYS A 48 103.782 -9.799 -4.543 1.00 0.00 C ATOM 561 CD LYS A 48 103.295 -11.168 -4.092 1.00 0.00 C ATOM 562 CE LYS A 48 101.783 -11.195 -3.925 1.00 0.00 C ATOM 563 NZ LYS A 48 101.365 -12.007 -2.747 1.00 0.00 N ATOM 0 H LYS A 48 106.580 -9.678 -7.355 1.00 0.00 H new ATOM 0 HA LYS A 48 106.459 -9.232 -4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 48 104.619 -9.020 -6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 48 104.447 -10.764 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 48 104.285 -9.300 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 48 102.927 -9.180 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 48 103.595 -11.920 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 48 103.771 -11.432 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 48 101.413 -10.176 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 48 101.326 -11.603 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 100.328 -11.999 -2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 101.696 -12.986 -2.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 101.779 -11.604 -1.883 1.00 0.00 H new ATOM 577 N LEU A 49 106.641 -12.417 -5.389 1.00 0.00 N ATOM 578 CA LEU A 49 106.869 -13.749 -4.850 1.00 0.00 C ATOM 579 C LEU A 49 108.362 -14.024 -4.656 1.00 0.00 C ATOM 580 O LEU A 49 108.739 -14.937 -3.921 1.00 0.00 O ATOM 581 CB LEU A 49 106.252 -14.790 -5.788 1.00 0.00 C ATOM 582 CG LEU A 49 107.170 -15.308 -6.901 1.00 0.00 C ATOM 583 CD1 LEU A 49 107.862 -16.591 -6.467 1.00 0.00 C ATOM 584 CD2 LEU A 49 106.382 -15.536 -8.182 1.00 0.00 C ATOM 0 H LEU A 49 106.666 -12.367 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 49 106.394 -13.813 -3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 49 105.921 -15.639 -5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 49 105.363 -14.357 -6.247 1.00 0.00 H new ATOM 0 HG LEU A 49 107.932 -14.553 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 49 108.510 -16.944 -7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 49 108.460 -16.398 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 49 107.113 -17.351 -6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 49 107.051 -15.904 -8.960 1.00 0.00 H new ATOM 0 HD22 LEU A 49 105.598 -16.271 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 49 105.932 -14.597 -8.504 1.00 0.00 H new ATOM 596 N ARG A 50 109.210 -13.241 -5.324 1.00 0.00 N ATOM 597 CA ARG A 50 110.656 -13.424 -5.215 1.00 0.00 C ATOM 598 C ARG A 50 111.388 -12.088 -5.104 1.00 0.00 C ATOM 599 O ARG A 50 111.899 -11.561 -6.092 1.00 0.00 O ATOM 600 CB ARG A 50 111.181 -14.202 -6.425 1.00 0.00 C ATOM 601 CG ARG A 50 112.291 -15.183 -6.080 1.00 0.00 C ATOM 602 CD ARG A 50 113.613 -14.777 -6.711 1.00 0.00 C ATOM 603 NE ARG A 50 113.527 -14.719 -8.169 1.00 0.00 N ATOM 604 CZ ARG A 50 114.442 -14.140 -8.943 1.00 0.00 C ATOM 605 NH1 ARG A 50 115.512 -13.570 -8.404 1.00 0.00 N ATOM 606 NH2 ARG A 50 114.286 -14.134 -10.260 1.00 0.00 N ATOM 0 H ARG A 50 108.923 -12.481 -5.941 1.00 0.00 H new ATOM 0 HA ARG A 50 110.848 -13.990 -4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 50 110.355 -14.746 -6.883 1.00 0.00 H new ATOM 0 HB3 ARG A 50 111.549 -13.496 -7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 50 112.406 -15.238 -4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 50 112.015 -16.180 -6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 50 113.915 -13.803 -6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 50 114.387 -15.488 -6.421 1.00 0.00 H new ATOM 0 HE ARG A 50 112.718 -15.147 -8.620 1.00 0.00 H new ATOM 0 HH11 ARG A 50 115.637 -13.574 -7.392 1.00 0.00 H new ATOM 0 HH12 ARG A 50 116.210 -13.128 -9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 50 113.466 -14.573 -10.678 1.00 0.00 H new ATOM 0 HH22 ARG A 50 114.986 -13.691 -10.854 1.00 0.00 H new ATOM 620 N ASP A 51 111.452 -11.556 -3.886 1.00 0.00 N ATOM 621 CA ASP A 51 112.137 -10.291 -3.633 1.00 0.00 C ATOM 622 C ASP A 51 112.106 -9.951 -2.148 1.00 0.00 C ATOM 623 O ASP A 51 113.118 -9.550 -1.574 1.00 0.00 O ATOM 624 CB ASP A 51 111.507 -9.156 -4.443 1.00 0.00 C ATOM 625 CG ASP A 51 112.342 -8.779 -5.650 1.00 0.00 C ATOM 626 OD1 ASP A 51 113.399 -8.138 -5.465 1.00 0.00 O ATOM 627 OD2 ASP A 51 111.940 -9.123 -6.781 1.00 0.00 O ATOM 0 H ASP A 51 111.037 -11.982 -3.057 1.00 0.00 H new ATOM 0 HA ASP A 51 113.175 -10.405 -3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 51 110.512 -9.456 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 51 111.382 -8.282 -3.803 1.00 0.00 H new ATOM 632 N LEU A 52 110.938 -10.121 -1.528 1.00 0.00 N ATOM 633 CA LEU A 52 110.772 -9.837 -0.105 1.00 0.00 C ATOM 634 C LEU A 52 111.919 -10.433 0.703 1.00 0.00 C ATOM 635 O LEU A 52 112.315 -9.894 1.736 1.00 0.00 O ATOM 636 CB LEU A 52 109.437 -10.394 0.395 1.00 0.00 C ATOM 637 CG LEU A 52 109.154 -11.849 0.002 1.00 0.00 C ATOM 638 CD1 LEU A 52 108.929 -12.710 1.239 1.00 0.00 C ATOM 639 CD2 LEU A 52 107.954 -11.927 -0.930 1.00 0.00 C ATOM 0 H LEU A 52 110.093 -10.455 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 52 110.779 -8.755 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 52 109.412 -10.316 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 52 108.632 -9.767 0.012 1.00 0.00 H new ATOM 0 HG LEU A 52 110.026 -12.235 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 52 108.730 -13.738 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 52 109.819 -12.683 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 52 108.077 -12.326 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 52 107.768 -12.967 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 52 107.076 -11.520 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 52 108.156 -11.350 -1.833 1.00 0.00 H new ATOM 651 N TYR A 53 112.455 -11.544 0.211 1.00 0.00 N ATOM 652 CA TYR A 53 113.564 -12.217 0.875 1.00 0.00 C ATOM 653 C TYR A 53 114.807 -11.336 0.868 1.00 0.00 C ATOM 654 O TYR A 53 115.372 -11.031 1.917 1.00 0.00 O ATOM 655 CB TYR A 53 113.871 -13.538 0.174 1.00 0.00 C ATOM 656 CG TYR A 53 114.355 -14.614 1.116 1.00 0.00 C ATOM 657 CD1 TYR A 53 115.566 -14.483 1.783 1.00 0.00 C ATOM 658 CD2 TYR A 53 113.597 -15.754 1.350 1.00 0.00 C ATOM 659 CE1 TYR A 53 116.010 -15.459 2.654 1.00 0.00 C ATOM 660 CE2 TYR A 53 114.033 -16.733 2.222 1.00 0.00 C ATOM 661 CZ TYR A 53 115.240 -16.581 2.871 1.00 0.00 C ATOM 662 OH TYR A 53 115.677 -17.553 3.740 1.00 0.00 O ATOM 0 H TYR A 53 112.139 -11.998 -0.646 1.00 0.00 H new ATOM 0 HA TYR A 53 113.276 -12.413 1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 53 112.974 -13.888 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 53 114.628 -13.368 -0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 53 116.171 -13.603 1.618 1.00 0.00 H new ATOM 0 HD2 TYR A 53 112.652 -15.877 0.842 1.00 0.00 H new ATOM 0 HE1 TYR A 53 116.956 -15.343 3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 53 113.431 -17.613 2.394 1.00 0.00 H new ATOM 0 HH TYR A 53 115.017 -18.276 3.781 1.00 0.00 H new ATOM 672 N SER A 54 115.224 -10.934 -0.329 1.00 0.00 N ATOM 673 CA SER A 54 116.408 -10.091 -0.491 1.00 0.00 C ATOM 674 C SER A 54 116.074 -8.607 -0.351 1.00 0.00 C ATOM 675 O SER A 54 116.877 -7.746 -0.709 1.00 0.00 O ATOM 676 CB SER A 54 117.057 -10.349 -1.853 1.00 0.00 C ATOM 677 OG SER A 54 117.240 -11.737 -2.077 1.00 0.00 O ATOM 0 H SER A 54 114.760 -11.178 -1.204 1.00 0.00 H new ATOM 0 HA SER A 54 117.107 -10.353 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 54 116.433 -9.929 -2.642 1.00 0.00 H new ATOM 0 HB3 SER A 54 118.019 -9.840 -1.903 1.00 0.00 H new ATOM 0 HG SER A 54 117.654 -11.875 -2.954 1.00 0.00 H new ATOM 683 N LYS A 55 114.896 -8.315 0.184 1.00 0.00 N ATOM 684 CA LYS A 55 114.466 -6.933 0.385 1.00 0.00 C ATOM 685 C LYS A 55 114.362 -6.613 1.872 1.00 0.00 C ATOM 686 O LYS A 55 114.534 -5.467 2.286 1.00 0.00 O ATOM 687 CB LYS A 55 113.121 -6.680 -0.302 1.00 0.00 C ATOM 688 CG LYS A 55 113.169 -5.568 -1.336 1.00 0.00 C ATOM 689 CD LYS A 55 111.856 -4.802 -1.394 1.00 0.00 C ATOM 690 CE LYS A 55 112.087 -3.298 -1.413 1.00 0.00 C ATOM 691 NZ LYS A 55 112.990 -2.885 -2.523 1.00 0.00 N ATOM 0 H LYS A 55 114.219 -9.015 0.487 1.00 0.00 H new ATOM 0 HA LYS A 55 115.214 -6.278 -0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 55 112.789 -7.600 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 55 112.377 -6.430 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 55 113.981 -4.882 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 55 113.388 -5.991 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 55 111.301 -5.097 -2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 55 111.242 -5.066 -0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 55 111.130 -2.786 -1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 55 112.516 -2.985 -0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 112.848 -1.876 -2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 113.979 -3.045 -2.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 112.775 -3.445 -3.372 1.00 0.00 H new ATOM 705 N SER A 56 114.085 -7.635 2.675 1.00 0.00 N ATOM 706 CA SER A 56 113.961 -7.460 4.117 1.00 0.00 C ATOM 707 C SER A 56 115.165 -8.049 4.853 1.00 0.00 C ATOM 708 O SER A 56 115.166 -8.135 6.080 1.00 0.00 O ATOM 709 CB SER A 56 112.676 -8.113 4.622 1.00 0.00 C ATOM 710 OG SER A 56 112.649 -9.497 4.310 1.00 0.00 O ATOM 0 H SER A 56 113.942 -8.592 2.352 1.00 0.00 H new ATOM 0 HA SER A 56 113.925 -6.390 4.320 1.00 0.00 H new ATOM 0 HB2 SER A 56 112.596 -7.979 5.701 1.00 0.00 H new ATOM 0 HB3 SER A 56 111.813 -7.619 4.174 1.00 0.00 H new ATOM 0 HG SER A 56 112.304 -9.621 3.401 1.00 0.00 H new ATOM 716 N THR A 57 116.184 -8.458 4.101 1.00 0.00 N ATOM 717 CA THR A 57 117.384 -9.041 4.696 1.00 0.00 C ATOM 718 C THR A 57 118.645 -8.285 4.278 1.00 0.00 C ATOM 719 O THR A 57 119.666 -8.350 4.962 1.00 0.00 O ATOM 720 CB THR A 57 117.506 -10.517 4.305 1.00 0.00 C ATOM 721 OG1 THR A 57 118.468 -11.170 5.114 1.00 0.00 O ATOM 722 CG2 THR A 57 117.902 -10.731 2.860 1.00 0.00 C ATOM 0 H THR A 57 116.203 -8.397 3.083 1.00 0.00 H new ATOM 0 HA THR A 57 117.288 -8.960 5.779 1.00 0.00 H new ATOM 0 HB THR A 57 116.510 -10.935 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 57 118.531 -12.112 4.851 1.00 0.00 H new ATOM 0 HG21 THR A 57 117.969 -11.800 2.656 1.00 0.00 H new ATOM 0 HG22 THR A 57 117.153 -10.283 2.207 1.00 0.00 H new ATOM 0 HG23 THR A 57 118.870 -10.265 2.675 1.00 0.00 H new ATOM 730 N ALA A 58 118.577 -7.576 3.153 1.00 0.00 N ATOM 731 CA ALA A 58 119.727 -6.823 2.662 1.00 0.00 C ATOM 732 C ALA A 58 119.329 -5.425 2.209 1.00 0.00 C ATOM 733 O ALA A 58 119.990 -4.444 2.548 1.00 0.00 O ATOM 734 CB ALA A 58 120.406 -7.574 1.527 1.00 0.00 C ATOM 0 H ALA A 58 117.744 -7.508 2.569 1.00 0.00 H new ATOM 0 HA ALA A 58 120.431 -6.716 3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 58 121.262 -7.000 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 58 120.745 -8.546 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 58 119.699 -7.715 0.710 1.00 0.00 H new ATOM 740 N ALA A 59 118.247 -5.332 1.445 1.00 0.00 N ATOM 741 CA ALA A 59 117.776 -4.041 0.960 1.00 0.00 C ATOM 742 C ALA A 59 117.520 -3.078 2.117 1.00 0.00 C ATOM 743 O ALA A 59 117.461 -1.864 1.922 1.00 0.00 O ATOM 744 CB ALA A 59 116.520 -4.210 0.120 1.00 0.00 C ATOM 0 H ALA A 59 117.683 -6.129 1.150 1.00 0.00 H new ATOM 0 HA ALA A 59 118.558 -3.614 0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 59 116.184 -3.235 -0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 59 116.738 -4.850 -0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 59 115.737 -4.667 0.725 1.00 0.00 H new ATOM 750 N MET A 60 117.370 -3.622 3.325 1.00 0.00 N ATOM 751 CA MET A 60 117.123 -2.797 4.504 1.00 0.00 C ATOM 752 C MET A 60 118.213 -2.997 5.554 1.00 0.00 C ATOM 753 O MET A 60 118.578 -2.065 6.270 1.00 0.00 O ATOM 754 CB MET A 60 115.749 -3.113 5.101 1.00 0.00 C ATOM 755 CG MET A 60 115.644 -4.492 5.738 1.00 0.00 C ATOM 756 SD MET A 60 114.824 -4.454 7.345 1.00 0.00 S ATOM 757 CE MET A 60 115.884 -3.319 8.238 1.00 0.00 C ATOM 0 H MET A 60 117.415 -4.624 3.511 1.00 0.00 H new ATOM 0 HA MET A 60 117.139 -1.753 4.191 1.00 0.00 H new ATOM 0 HB2 MET A 60 115.510 -2.360 5.852 1.00 0.00 H new ATOM 0 HB3 MET A 60 114.997 -3.030 4.316 1.00 0.00 H new ATOM 0 HG2 MET A 60 115.095 -5.156 5.070 1.00 0.00 H new ATOM 0 HG3 MET A 60 116.643 -4.912 5.854 1.00 0.00 H new ATOM 0 HE1 MET A 60 115.754 -3.467 9.310 1.00 0.00 H new ATOM 0 HE2 MET A 60 116.924 -3.505 7.969 1.00 0.00 H new ATOM 0 HE3 MET A 60 115.620 -2.294 7.979 1.00 0.00 H new ATOM 767 N SER A 61 118.724 -4.218 5.641 1.00 0.00 N ATOM 768 CA SER A 61 119.769 -4.546 6.602 1.00 0.00 C ATOM 769 C SER A 61 121.142 -4.125 6.083 1.00 0.00 C ATOM 770 O SER A 61 122.059 -3.875 6.864 1.00 0.00 O ATOM 771 CB SER A 61 119.761 -6.046 6.906 1.00 0.00 C ATOM 772 OG SER A 61 119.649 -6.284 8.297 1.00 0.00 O ATOM 0 H SER A 61 118.431 -5.000 5.056 1.00 0.00 H new ATOM 0 HA SER A 61 119.566 -3.996 7.521 1.00 0.00 H new ATOM 0 HB2 SER A 61 118.930 -6.521 6.385 1.00 0.00 H new ATOM 0 HB3 SER A 61 120.677 -6.501 6.529 1.00 0.00 H new ATOM 0 HG SER A 61 119.644 -7.250 8.464 1.00 0.00 H new ATOM 778 N THR A 62 121.277 -4.049 4.762 1.00 0.00 N ATOM 779 CA THR A 62 122.542 -3.659 4.147 1.00 0.00 C ATOM 780 C THR A 62 122.608 -2.148 3.928 1.00 0.00 C ATOM 781 O THR A 62 123.534 -1.648 3.289 1.00 0.00 O ATOM 782 CB THR A 62 122.732 -4.385 2.814 1.00 0.00 C ATOM 783 OG1 THR A 62 122.361 -5.747 2.929 1.00 0.00 O ATOM 784 CG2 THR A 62 124.156 -4.337 2.305 1.00 0.00 C ATOM 0 H THR A 62 120.529 -4.252 4.099 1.00 0.00 H new ATOM 0 HA THR A 62 123.345 -3.942 4.828 1.00 0.00 H new ATOM 0 HB THR A 62 122.093 -3.860 2.104 1.00 0.00 H new ATOM 0 HG1 THR A 62 122.995 -6.302 2.428 1.00 0.00 H new ATOM 0 HG21 THR A 62 124.222 -4.870 1.357 1.00 0.00 H new ATOM 0 HG22 THR A 62 124.455 -3.299 2.159 1.00 0.00 H new ATOM 0 HG23 THR A 62 124.818 -4.807 3.032 1.00 0.00 H new ATOM 792 N TYR A 63 121.629 -1.422 4.465 1.00 0.00 N ATOM 793 CA TYR A 63 121.584 0.021 4.330 1.00 0.00 C ATOM 794 C TYR A 63 122.638 0.674 5.212 1.00 0.00 C ATOM 795 O TYR A 63 123.168 1.735 4.884 1.00 0.00 O ATOM 796 CB TYR A 63 120.207 0.512 4.730 1.00 0.00 C ATOM 797 CG TYR A 63 119.499 1.301 3.653 1.00 0.00 C ATOM 798 CD1 TYR A 63 119.069 0.685 2.485 1.00 0.00 C ATOM 799 CD2 TYR A 63 119.263 2.663 3.802 1.00 0.00 C ATOM 800 CE1 TYR A 63 118.423 1.402 1.495 1.00 0.00 C ATOM 801 CE2 TYR A 63 118.618 3.386 2.817 1.00 0.00 C ATOM 802 CZ TYR A 63 118.200 2.751 1.666 1.00 0.00 C ATOM 803 OH TYR A 63 117.558 3.469 0.684 1.00 0.00 O ATOM 0 H TYR A 63 120.856 -1.818 4.999 1.00 0.00 H new ATOM 0 HA TYR A 63 121.789 0.289 3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 63 119.592 -0.346 5.002 1.00 0.00 H new ATOM 0 HB3 TYR A 63 120.299 1.134 5.621 1.00 0.00 H new ATOM 0 HD1 TYR A 63 119.242 -0.372 2.348 1.00 0.00 H new ATOM 0 HD2 TYR A 63 119.589 3.164 4.702 1.00 0.00 H new ATOM 0 HE1 TYR A 63 118.095 0.908 0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 63 118.442 4.444 2.948 1.00 0.00 H new ATOM 0 HH TYR A 63 117.480 4.406 0.962 1.00 0.00 H new ATOM 813 N THR A 64 122.943 0.022 6.330 1.00 0.00 N ATOM 814 CA THR A 64 123.946 0.529 7.259 1.00 0.00 C ATOM 815 C THR A 64 125.253 0.786 6.526 1.00 0.00 C ATOM 816 O THR A 64 126.083 1.585 6.959 1.00 0.00 O ATOM 817 CB THR A 64 124.167 -0.463 8.402 1.00 0.00 C ATOM 818 OG1 THR A 64 125.203 -0.018 9.259 1.00 0.00 O ATOM 819 CG2 THR A 64 124.531 -1.853 7.925 1.00 0.00 C ATOM 0 H THR A 64 122.510 -0.857 6.614 1.00 0.00 H new ATOM 0 HA THR A 64 123.587 1.468 7.681 1.00 0.00 H new ATOM 0 HB THR A 64 123.214 -0.514 8.929 1.00 0.00 H new ATOM 0 HG1 THR A 64 125.328 -0.665 9.984 1.00 0.00 H new ATOM 0 HG21 THR A 64 124.674 -2.507 8.785 1.00 0.00 H new ATOM 0 HG22 THR A 64 123.728 -2.245 7.300 1.00 0.00 H new ATOM 0 HG23 THR A 64 125.453 -1.809 7.346 1.00 0.00 H new ATOM 827 N GLY A 65 125.412 0.109 5.396 1.00 0.00 N ATOM 828 CA GLY A 65 126.599 0.274 4.587 1.00 0.00 C ATOM 829 C GLY A 65 126.503 1.494 3.693 1.00 0.00 C ATOM 830 O GLY A 65 127.521 2.030 3.253 1.00 0.00 O ATOM 0 H GLY A 65 124.733 -0.556 5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 65 127.471 0.365 5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 65 126.748 -0.615 3.974 1.00 0.00 H new ATOM 834 N ILE A 66 125.275 1.944 3.434 1.00 0.00 N ATOM 835 CA ILE A 66 125.054 3.116 2.599 1.00 0.00 C ATOM 836 C ILE A 66 124.750 4.332 3.460 1.00 0.00 C ATOM 837 O ILE A 66 124.968 5.473 3.053 1.00 0.00 O ATOM 838 CB ILE A 66 123.905 2.888 1.596 1.00 0.00 C ATOM 839 CG1 ILE A 66 124.139 1.603 0.802 1.00 0.00 C ATOM 840 CG2 ILE A 66 123.774 4.074 0.653 1.00 0.00 C ATOM 841 CD1 ILE A 66 123.522 0.378 1.441 1.00 0.00 C ATOM 0 H ILE A 66 124.422 1.513 3.791 1.00 0.00 H new ATOM 0 HA ILE A 66 125.969 3.293 2.034 1.00 0.00 H new ATOM 0 HB ILE A 66 122.975 2.788 2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 66 123.730 1.725 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 66 125.212 1.444 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 66 122.958 3.894 -0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 66 123.566 4.976 1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 66 124.704 4.204 0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 66 123.727 -0.497 0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 66 123.949 0.231 2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 66 122.444 0.516 1.527 1.00 0.00 H new ATOM 853 N PHE A 67 124.259 4.075 4.663 1.00 0.00 N ATOM 854 CA PHE A 67 123.933 5.132 5.603 1.00 0.00 C ATOM 855 C PHE A 67 125.189 5.898 5.993 1.00 0.00 C ATOM 856 O PHE A 67 125.225 7.127 5.950 1.00 0.00 O ATOM 857 CB PHE A 67 123.279 4.517 6.833 1.00 0.00 C ATOM 858 CG PHE A 67 122.090 5.289 7.329 1.00 0.00 C ATOM 859 CD1 PHE A 67 120.952 5.411 6.548 1.00 0.00 C ATOM 860 CD2 PHE A 67 122.112 5.896 8.575 1.00 0.00 C ATOM 861 CE1 PHE A 67 119.858 6.124 6.999 1.00 0.00 C ATOM 862 CE2 PHE A 67 121.020 6.610 9.032 1.00 0.00 C ATOM 863 CZ PHE A 67 119.892 6.725 8.243 1.00 0.00 C ATOM 0 H PHE A 67 124.077 3.134 5.012 1.00 0.00 H new ATOM 0 HA PHE A 67 123.241 5.834 5.138 1.00 0.00 H new ATOM 0 HB2 PHE A 67 122.969 3.499 6.599 1.00 0.00 H new ATOM 0 HB3 PHE A 67 124.017 4.450 7.632 1.00 0.00 H new ATOM 0 HD1 PHE A 67 120.920 4.943 5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 67 122.992 5.810 9.195 1.00 0.00 H new ATOM 0 HE1 PHE A 67 118.977 6.212 6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 67 121.049 7.078 10.005 1.00 0.00 H new ATOM 0 HZ PHE A 67 119.038 7.283 8.598 1.00 0.00 H new ATOM 873 N THR A 68 126.221 5.153 6.361 1.00 0.00 N ATOM 874 CA THR A 68 127.496 5.740 6.753 1.00 0.00 C ATOM 875 C THR A 68 128.280 6.192 5.524 1.00 0.00 C ATOM 876 O THR A 68 129.133 7.077 5.610 1.00 0.00 O ATOM 877 CB THR A 68 128.325 4.732 7.550 1.00 0.00 C ATOM 878 OG1 THR A 68 127.563 3.573 7.847 1.00 0.00 O ATOM 879 CG2 THR A 68 128.846 5.286 8.858 1.00 0.00 C ATOM 0 H THR A 68 126.200 4.134 6.397 1.00 0.00 H new ATOM 0 HA THR A 68 127.291 6.608 7.380 1.00 0.00 H new ATOM 0 HB THR A 68 129.175 4.491 6.911 1.00 0.00 H new ATOM 0 HG1 THR A 68 127.497 3.011 7.047 1.00 0.00 H new ATOM 0 HG21 THR A 68 129.425 4.520 9.373 1.00 0.00 H new ATOM 0 HG22 THR A 68 129.481 6.149 8.660 1.00 0.00 H new ATOM 0 HG23 THR A 68 128.007 5.589 9.485 1.00 0.00 H new ATOM 887 N ASP A 69 127.991 5.571 4.383 1.00 0.00 N ATOM 888 CA ASP A 69 128.669 5.903 3.134 1.00 0.00 C ATOM 889 C ASP A 69 128.445 7.362 2.742 1.00 0.00 C ATOM 890 O ASP A 69 129.133 7.882 1.867 1.00 0.00 O ATOM 891 CB ASP A 69 128.189 4.983 2.010 1.00 0.00 C ATOM 892 CG ASP A 69 129.314 4.575 1.078 1.00 0.00 C ATOM 893 OD1 ASP A 69 129.976 3.553 1.357 1.00 0.00 O ATOM 894 OD2 ASP A 69 129.531 5.277 0.067 1.00 0.00 O ATOM 0 H ASP A 69 127.291 4.834 4.298 1.00 0.00 H new ATOM 0 HA ASP A 69 129.738 5.757 3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 69 127.737 4.090 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 69 127.411 5.488 1.437 1.00 0.00 H new ATOM 899 N GLN A 70 127.483 8.020 3.384 1.00 0.00 N ATOM 900 CA GLN A 70 127.188 9.417 3.084 1.00 0.00 C ATOM 901 C GLN A 70 127.581 10.334 4.244 1.00 0.00 C ATOM 902 O GLN A 70 127.243 11.517 4.248 1.00 0.00 O ATOM 903 CB GLN A 70 125.701 9.590 2.770 1.00 0.00 C ATOM 904 CG GLN A 70 125.413 10.715 1.790 1.00 0.00 C ATOM 905 CD GLN A 70 124.357 11.678 2.299 1.00 0.00 C ATOM 906 OE1 GLN A 70 123.240 11.721 1.783 1.00 0.00 O ATOM 907 NE2 GLN A 70 124.707 12.455 3.317 1.00 0.00 N ATOM 0 H GLN A 70 126.897 7.610 4.112 1.00 0.00 H new ATOM 0 HA GLN A 70 127.778 9.699 2.212 1.00 0.00 H new ATOM 0 HB2 GLN A 70 125.313 8.656 2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 70 125.162 9.781 3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 70 126.334 11.263 1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 70 125.085 10.290 0.841 1.00 0.00 H new ATOM 0 HE21 GLN A 70 125.644 12.385 3.713 1.00 0.00 H new ATOM 0 HE22 GLN A 70 124.039 13.122 3.703 1.00 0.00 H new ATOM 916 N VAL A 71 128.292 9.784 5.227 1.00 0.00 N ATOM 917 CA VAL A 71 128.718 10.556 6.389 1.00 0.00 C ATOM 918 C VAL A 71 130.176 10.987 6.260 1.00 0.00 C ATOM 919 O VAL A 71 130.468 12.176 6.138 1.00 0.00 O ATOM 920 CB VAL A 71 128.525 9.736 7.678 1.00 0.00 C ATOM 921 CG1 VAL A 71 128.883 10.552 8.909 1.00 0.00 C ATOM 922 CG2 VAL A 71 127.095 9.226 7.770 1.00 0.00 C ATOM 0 H VAL A 71 128.584 8.807 5.240 1.00 0.00 H new ATOM 0 HA VAL A 71 128.099 11.452 6.440 1.00 0.00 H new ATOM 0 HB VAL A 71 129.200 8.881 7.639 1.00 0.00 H new ATOM 0 HG11 VAL A 71 128.736 9.946 9.803 1.00 0.00 H new ATOM 0 HG12 VAL A 71 129.926 10.863 8.849 1.00 0.00 H new ATOM 0 HG13 VAL A 71 128.244 11.433 8.960 1.00 0.00 H new ATOM 0 HG21 VAL A 71 126.973 8.648 8.686 1.00 0.00 H new ATOM 0 HG22 VAL A 71 126.407 10.071 7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 71 126.879 8.592 6.910 1.00 0.00 H new ATOM 932 N LEU A 72 131.087 10.020 6.259 1.00 0.00 N ATOM 933 CA LEU A 72 132.502 10.316 6.117 1.00 0.00 C ATOM 934 C LEU A 72 132.789 10.705 4.678 1.00 0.00 C ATOM 935 O LEU A 72 133.713 11.469 4.394 1.00 0.00 O ATOM 936 CB LEU A 72 133.349 9.104 6.511 1.00 0.00 C ATOM 937 CG LEU A 72 132.804 7.750 6.044 1.00 0.00 C ATOM 938 CD1 LEU A 72 133.918 6.899 5.454 1.00 0.00 C ATOM 939 CD2 LEU A 72 132.120 7.022 7.194 1.00 0.00 C ATOM 0 H LEU A 72 130.869 9.028 6.355 1.00 0.00 H new ATOM 0 HA LEU A 72 132.761 11.142 6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 72 134.352 9.234 6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 72 133.445 9.085 7.597 1.00 0.00 H new ATOM 0 HG LEU A 72 132.063 7.928 5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 72 133.511 5.942 5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 72 134.358 7.416 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 72 134.685 6.729 6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 72 131.740 6.063 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 72 132.838 6.855 7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 72 131.293 7.626 7.566 1.00 0.00 H new ATOM 951 N SER A 73 131.978 10.170 3.772 1.00 0.00 N ATOM 952 CA SER A 73 132.123 10.442 2.355 1.00 0.00 C ATOM 953 C SER A 73 131.816 11.899 2.031 1.00 0.00 C ATOM 954 O SER A 73 132.244 12.413 0.998 1.00 0.00 O ATOM 955 CB SER A 73 131.199 9.534 1.552 1.00 0.00 C ATOM 956 OG SER A 73 131.575 9.500 0.186 1.00 0.00 O ATOM 0 H SER A 73 131.209 9.541 4.001 1.00 0.00 H new ATOM 0 HA SER A 73 133.160 10.245 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 73 131.227 8.526 1.965 1.00 0.00 H new ATOM 0 HB3 SER A 73 130.171 9.886 1.640 1.00 0.00 H new ATOM 0 HG SER A 73 130.989 8.882 -0.299 1.00 0.00 H new ATOM 962 N VAL A 74 131.060 12.558 2.905 1.00 0.00 N ATOM 963 CA VAL A 74 130.688 13.951 2.684 1.00 0.00 C ATOM 964 C VAL A 74 131.229 14.878 3.769 1.00 0.00 C ATOM 965 O VAL A 74 131.365 16.081 3.544 1.00 0.00 O ATOM 966 CB VAL A 74 129.158 14.111 2.617 1.00 0.00 C ATOM 967 CG1 VAL A 74 128.784 15.516 2.171 1.00 0.00 C ATOM 968 CG2 VAL A 74 128.552 13.072 1.685 1.00 0.00 C ATOM 0 H VAL A 74 130.695 12.153 3.767 1.00 0.00 H new ATOM 0 HA VAL A 74 131.135 14.235 1.731 1.00 0.00 H new ATOM 0 HB VAL A 74 128.753 13.952 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 74 127.699 15.608 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 74 129.183 16.241 2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 74 129.202 15.707 1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 74 127.470 13.201 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 74 128.964 13.197 0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 74 128.787 12.073 2.052 1.00 0.00 H new ATOM 978 N LEU A 75 131.524 14.335 4.948 1.00 0.00 N ATOM 979 CA LEU A 75 132.031 15.163 6.043 1.00 0.00 C ATOM 980 C LEU A 75 133.550 15.088 6.162 1.00 0.00 C ATOM 981 O LEU A 75 134.176 15.984 6.728 1.00 0.00 O ATOM 982 CB LEU A 75 131.388 14.747 7.370 1.00 0.00 C ATOM 983 CG LEU A 75 132.018 13.523 8.037 1.00 0.00 C ATOM 984 CD1 LEU A 75 133.121 13.941 9.001 1.00 0.00 C ATOM 985 CD2 LEU A 75 130.962 12.705 8.760 1.00 0.00 C ATOM 0 H LEU A 75 131.424 13.344 5.169 1.00 0.00 H new ATOM 0 HA LEU A 75 131.764 16.195 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 75 131.442 15.587 8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 75 130.331 14.544 7.197 1.00 0.00 H new ATOM 0 HG LEU A 75 132.461 12.903 7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 75 133.555 13.055 9.464 1.00 0.00 H new ATOM 0 HD12 LEU A 75 133.895 14.482 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 75 132.703 14.586 9.774 1.00 0.00 H new ATOM 0 HD21 LEU A 75 131.430 11.839 9.228 1.00 0.00 H new ATOM 0 HD22 LEU A 75 130.487 13.319 9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 75 130.210 12.370 8.046 1.00 0.00 H new ATOM 997 N LYS A 76 134.145 14.015 5.652 1.00 0.00 N ATOM 998 CA LYS A 76 135.589 13.842 5.737 1.00 0.00 C ATOM 999 C LYS A 76 136.264 14.065 4.390 1.00 0.00 C ATOM 1000 O LYS A 76 137.491 14.100 4.298 1.00 0.00 O ATOM 1001 CB LYS A 76 135.904 12.439 6.248 1.00 0.00 C ATOM 1002 CG LYS A 76 136.482 12.418 7.654 1.00 0.00 C ATOM 1003 CD LYS A 76 136.508 11.011 8.227 1.00 0.00 C ATOM 1004 CE LYS A 76 137.860 10.349 8.017 1.00 0.00 C ATOM 1005 NZ LYS A 76 138.135 9.309 9.046 1.00 0.00 N ATOM 0 H LYS A 76 133.653 13.257 5.179 1.00 0.00 H new ATOM 0 HA LYS A 76 135.978 14.588 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 76 134.992 11.842 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 76 136.610 11.963 5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 76 137.494 12.824 7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 76 135.889 13.064 8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 76 136.281 11.047 9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 76 135.730 10.410 7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 76 137.893 9.897 7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 76 138.644 11.106 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 139.066 8.882 8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 138.129 9.745 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 137.402 8.573 9.000 1.00 0.00 H new ATOM 1019 N GLY A 77 135.461 14.195 3.345 1.00 0.00 N ATOM 1020 CA GLY A 77 136.005 14.390 2.020 1.00 0.00 C ATOM 1021 C GLY A 77 136.064 13.084 1.265 1.00 0.00 C ATOM 1022 O GLY A 77 137.064 12.770 0.619 1.00 0.00 O ATOM 0 H GLY A 77 134.442 14.169 3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 77 135.391 15.104 1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 77 137.005 14.819 2.092 1.00 0.00 H new ATOM 1026 N GLU A 78 134.980 12.321 1.359 1.00 0.00 N ATOM 1027 CA GLU A 78 134.875 11.034 0.699 1.00 0.00 C ATOM 1028 C GLU A 78 135.660 9.959 1.451 1.00 0.00 C ATOM 1029 O GLU A 78 136.588 9.363 0.904 1.00 0.00 O ATOM 1030 CB GLU A 78 135.363 11.155 -0.735 1.00 0.00 C ATOM 1031 CG GLU A 78 134.652 10.226 -1.707 1.00 0.00 C ATOM 1032 CD GLU A 78 135.442 8.964 -1.994 1.00 0.00 C ATOM 1033 OE1 GLU A 78 135.651 8.169 -1.055 1.00 0.00 O ATOM 1034 OE2 GLU A 78 135.849 8.773 -3.159 1.00 0.00 O ATOM 0 H GLU A 78 134.153 12.581 1.896 1.00 0.00 H new ATOM 0 HA GLU A 78 133.828 10.729 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 78 135.230 12.184 -1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 78 136.432 10.946 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 78 133.678 9.955 -1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 78 134.469 10.756 -2.642 1.00 0.00 H new ATOM 1041 N GLU A 79 135.280 9.706 2.711 1.00 0.00 N ATOM 1042 CA GLU A 79 135.958 8.697 3.516 1.00 0.00 C ATOM 1043 C GLU A 79 137.412 9.084 3.766 1.00 0.00 C ATOM 1044 O GLU A 79 137.955 8.693 4.821 1.00 0.00 O ATOM 1045 CB GLU A 79 135.893 7.332 2.823 1.00 0.00 C ATOM 1046 CG GLU A 79 136.498 6.203 3.640 1.00 0.00 C ATOM 1047 CD GLU A 79 137.168 5.154 2.775 1.00 0.00 C ATOM 1048 OE1 GLU A 79 136.449 4.297 2.219 1.00 0.00 O ATOM 1049 OE2 GLU A 79 138.410 5.188 2.653 1.00 0.00 O ATOM 0 H GLU A 79 134.514 10.184 3.185 1.00 0.00 H new ATOM 0 HA GLU A 79 135.448 8.634 4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 79 134.852 7.094 2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 79 136.412 7.395 1.866 1.00 0.00 H new ATOM 0 HG2 GLU A 79 137.228 6.614 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 79 135.717 5.732 4.237 1.00 0.00 H new TER 1056 GLU A 79