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 Set 1.1: A 35 ASN : amide:sc= -2.46 X(o=-1.4,f=-1.4!) USER MOD Set 1.2: A 40 THR OG1 : rot -43:sc= 1.09 USER MOD Single : A 13 THR OG1 : rot -34:sc= 0.113 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 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 105:sc= 1.2 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 71:sc= 0.297 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.426 F(o=-1.3,f=-0.43) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 109:sc= -0.608 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -51:sc= 1.1 USER MOD Single : A 60 MET CE :methyl -161:sc= -1.3 (180deg=-2.35!) USER MOD Single : A 61 SER OG : rot 109:sc= 0.387 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -63:sc= 0.492 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.789 USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0505) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 95.978 -11.615 14.824 1.00 0.00 N ATOM 2 CA THR A 13 96.550 -10.364 15.388 1.00 0.00 C ATOM 3 C THR A 13 95.460 -9.468 15.963 1.00 0.00 C ATOM 4 O THR A 13 94.294 -9.856 16.032 1.00 0.00 O ATOM 5 CB THR A 13 97.303 -9.628 14.278 1.00 0.00 C ATOM 6 OG1 THR A 13 96.441 -9.345 13.191 1.00 0.00 O ATOM 7 CG2 THR A 13 98.485 -10.406 13.738 1.00 0.00 C ATOM 0 HA THR A 13 97.230 -10.618 16.201 1.00 0.00 H new ATOM 0 HB THR A 13 97.673 -8.711 14.738 1.00 0.00 H new ATOM 0 HG1 THR A 13 95.789 -10.070 13.093 1.00 0.00 H new ATOM 0 HG21 THR A 13 98.974 -9.827 12.954 1.00 0.00 H new ATOM 0 HG22 THR A 13 99.194 -10.597 14.544 1.00 0.00 H new ATOM 0 HG23 THR A 13 98.139 -11.354 13.327 1.00 0.00 H new ATOM 15 N PHE A 14 95.848 -8.265 16.373 1.00 0.00 N ATOM 16 CA PHE A 14 94.909 -7.309 16.941 1.00 0.00 C ATOM 17 C PHE A 14 95.514 -5.908 16.965 1.00 0.00 C ATOM 18 O PHE A 14 94.993 -4.985 16.341 1.00 0.00 O ATOM 19 CB PHE A 14 94.517 -7.735 18.357 1.00 0.00 C ATOM 20 CG PHE A 14 93.037 -7.704 18.601 1.00 0.00 C ATOM 21 CD1 PHE A 14 92.242 -8.783 18.249 1.00 0.00 C ATOM 22 CD2 PHE A 14 92.439 -6.596 19.178 1.00 0.00 C ATOM 23 CE1 PHE A 14 90.878 -8.755 18.467 1.00 0.00 C ATOM 24 CE2 PHE A 14 91.075 -6.563 19.399 1.00 0.00 C ATOM 25 CZ PHE A 14 90.293 -7.645 19.043 1.00 0.00 C ATOM 0 H PHE A 14 96.810 -7.930 16.322 1.00 0.00 H new ATOM 0 HA PHE A 14 94.017 -7.289 16.315 1.00 0.00 H new ATOM 0 HB2 PHE A 14 94.887 -8.744 18.540 1.00 0.00 H new ATOM 0 HB3 PHE A 14 95.010 -7.080 19.075 1.00 0.00 H new ATOM 0 HD1 PHE A 14 92.693 -9.655 17.799 1.00 0.00 H new ATOM 0 HD2 PHE A 14 93.046 -5.748 19.459 1.00 0.00 H new ATOM 0 HE1 PHE A 14 90.269 -9.602 18.187 1.00 0.00 H new ATOM 0 HE2 PHE A 14 90.621 -5.693 19.849 1.00 0.00 H new ATOM 0 HZ PHE A 14 89.227 -7.623 19.215 1.00 0.00 H new ATOM 35 N LEU A 15 96.619 -5.761 17.687 1.00 0.00 N ATOM 36 CA LEU A 15 97.297 -4.473 17.794 1.00 0.00 C ATOM 37 C LEU A 15 97.745 -3.974 16.422 1.00 0.00 C ATOM 38 O LEU A 15 97.386 -2.873 16.004 1.00 0.00 O ATOM 39 CB LEU A 15 98.503 -4.582 18.731 1.00 0.00 C ATOM 40 CG LEU A 15 99.390 -5.812 18.517 1.00 0.00 C ATOM 41 CD1 LEU A 15 100.697 -5.419 17.844 1.00 0.00 C ATOM 42 CD2 LEU A 15 99.663 -6.511 19.841 1.00 0.00 C ATOM 0 H LEU A 15 97.065 -6.517 18.207 1.00 0.00 H new ATOM 0 HA LEU A 15 96.590 -3.754 18.207 1.00 0.00 H new ATOM 0 HB2 LEU A 15 99.115 -3.688 18.613 1.00 0.00 H new ATOM 0 HB3 LEU A 15 98.143 -4.589 19.760 1.00 0.00 H new ATOM 0 HG LEU A 15 98.861 -6.506 17.863 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.314 -6.306 17.701 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.486 -4.964 16.876 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.229 -4.705 18.472 1.00 0.00 H new ATOM 0 HD21 LEU A 15 100.295 -7.382 19.669 1.00 0.00 H new ATOM 0 HD22 LEU A 15 100.170 -5.823 20.518 1.00 0.00 H new ATOM 0 HD23 LEU A 15 98.720 -6.829 20.286 1.00 0.00 H new ATOM 54 N THR A 16 98.530 -4.791 15.727 1.00 0.00 N ATOM 55 CA THR A 16 99.029 -4.431 14.404 1.00 0.00 C ATOM 56 C THR A 16 97.880 -4.164 13.438 1.00 0.00 C ATOM 57 O THR A 16 98.016 -3.382 12.496 1.00 0.00 O ATOM 58 CB THR A 16 99.922 -5.545 13.853 1.00 0.00 C ATOM 59 OG1 THR A 16 100.437 -5.192 12.581 1.00 0.00 O ATOM 60 CG2 THR A 16 99.205 -6.868 13.706 1.00 0.00 C ATOM 0 H THR A 16 98.834 -5.707 16.058 1.00 0.00 H new ATOM 0 HA THR A 16 99.614 -3.517 14.503 1.00 0.00 H new ATOM 0 HB THR A 16 100.722 -5.663 14.584 1.00 0.00 H new ATOM 0 HG1 THR A 16 101.006 -5.916 12.246 1.00 0.00 H new ATOM 0 HG21 THR A 16 99.895 -7.614 13.311 1.00 0.00 H new ATOM 0 HG22 THR A 16 98.838 -7.193 14.679 1.00 0.00 H new ATOM 0 HG23 THR A 16 98.365 -6.752 13.021 1.00 0.00 H new ATOM 68 N GLN A 17 96.748 -4.819 13.676 1.00 0.00 N ATOM 69 CA GLN A 17 95.575 -4.652 12.825 1.00 0.00 C ATOM 70 C GLN A 17 95.087 -3.208 12.847 1.00 0.00 C ATOM 71 O GLN A 17 94.816 -2.619 11.801 1.00 0.00 O ATOM 72 CB GLN A 17 94.455 -5.589 13.280 1.00 0.00 C ATOM 73 CG GLN A 17 93.632 -6.154 12.133 1.00 0.00 C ATOM 74 CD GLN A 17 92.211 -5.623 12.117 1.00 0.00 C ATOM 75 OE1 GLN A 17 91.942 -4.555 11.567 1.00 0.00 O ATOM 76 NE2 GLN A 17 91.294 -6.368 12.723 1.00 0.00 N ATOM 0 H GLN A 17 96.618 -5.470 14.451 1.00 0.00 H new ATOM 0 HA GLN A 17 95.858 -4.903 11.803 1.00 0.00 H new ATOM 0 HB2 GLN A 17 94.889 -6.413 13.845 1.00 0.00 H new ATOM 0 HB3 GLN A 17 93.795 -5.050 13.959 1.00 0.00 H new ATOM 0 HG2 GLN A 17 94.118 -5.910 11.188 1.00 0.00 H new ATOM 0 HG3 GLN A 17 93.609 -7.241 12.208 1.00 0.00 H new ATOM 0 HE21 GLN A 17 91.562 -7.247 13.166 1.00 0.00 H new ATOM 0 HE22 GLN A 17 90.321 -6.062 12.745 1.00 0.00 H new ATOM 85 N VAL A 18 94.980 -2.641 14.045 1.00 0.00 N ATOM 86 CA VAL A 18 94.524 -1.265 14.205 1.00 0.00 C ATOM 87 C VAL A 18 95.410 -0.298 13.430 1.00 0.00 C ATOM 88 O VAL A 18 94.934 0.691 12.875 1.00 0.00 O ATOM 89 CB VAL A 18 94.514 -0.850 15.689 1.00 0.00 C ATOM 90 CG1 VAL A 18 93.868 0.516 15.858 1.00 0.00 C ATOM 91 CG2 VAL A 18 93.799 -1.895 16.531 1.00 0.00 C ATOM 0 H VAL A 18 95.203 -3.115 14.920 1.00 0.00 H new ATOM 0 HA VAL A 18 93.509 -1.220 13.811 1.00 0.00 H new ATOM 0 HB VAL A 18 95.545 -0.783 16.035 1.00 0.00 H new ATOM 0 HG11 VAL A 18 93.870 0.792 16.913 1.00 0.00 H new ATOM 0 HG12 VAL A 18 94.429 1.257 15.288 1.00 0.00 H new ATOM 0 HG13 VAL A 18 92.841 0.480 15.495 1.00 0.00 H new ATOM 0 HG21 VAL A 18 93.802 -1.585 17.576 1.00 0.00 H new ATOM 0 HG22 VAL A 18 92.770 -1.998 16.186 1.00 0.00 H new ATOM 0 HG23 VAL A 18 94.312 -2.852 16.435 1.00 0.00 H new ATOM 101 N LYS A 19 96.703 -0.596 13.396 1.00 0.00 N ATOM 102 CA LYS A 19 97.665 0.240 12.689 1.00 0.00 C ATOM 103 C LYS A 19 97.378 0.237 11.198 1.00 0.00 C ATOM 104 O LYS A 19 97.092 1.276 10.604 1.00 0.00 O ATOM 105 CB LYS A 19 99.079 -0.275 12.932 1.00 0.00 C ATOM 106 CG LYS A 19 100.109 0.828 13.110 1.00 0.00 C ATOM 107 CD LYS A 19 101.524 0.303 12.922 1.00 0.00 C ATOM 108 CE LYS A 19 102.504 1.429 12.630 1.00 0.00 C ATOM 109 NZ LYS A 19 103.367 1.734 13.805 1.00 0.00 N ATOM 0 H LYS A 19 97.110 -1.413 13.851 1.00 0.00 H new ATOM 0 HA LYS A 19 97.577 1.259 13.066 1.00 0.00 H new ATOM 0 HB2 LYS A 19 99.078 -0.906 13.821 1.00 0.00 H new ATOM 0 HB3 LYS A 19 99.376 -0.905 12.094 1.00 0.00 H new ATOM 0 HG2 LYS A 19 99.917 1.626 12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 19 100.010 1.263 14.105 1.00 0.00 H new ATOM 0 HD2 LYS A 19 101.838 -0.229 13.820 1.00 0.00 H new ATOM 0 HD3 LYS A 19 101.540 -0.416 12.103 1.00 0.00 H new ATOM 0 HE2 LYS A 19 103.130 1.154 11.781 1.00 0.00 H new ATOM 0 HE3 LYS A 19 101.953 2.324 12.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 104.020 2.507 13.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 102.772 2.021 14.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 103.913 0.887 14.064 1.00 0.00 H new ATOM 123 N GLU A 20 97.451 -0.948 10.605 1.00 0.00 N ATOM 124 CA GLU A 20 97.192 -1.104 9.180 1.00 0.00 C ATOM 125 C GLU A 20 95.810 -0.564 8.829 1.00 0.00 C ATOM 126 O GLU A 20 95.534 -0.238 7.676 1.00 0.00 O ATOM 127 CB GLU A 20 97.298 -2.576 8.778 1.00 0.00 C ATOM 128 CG GLU A 20 98.681 -2.975 8.290 1.00 0.00 C ATOM 129 CD GLU A 20 98.716 -4.382 7.725 1.00 0.00 C ATOM 130 OE1 GLU A 20 98.203 -5.303 8.394 1.00 0.00 O ATOM 131 OE2 GLU A 20 99.256 -4.561 6.614 1.00 0.00 O ATOM 0 H GLU A 20 97.687 -1.814 11.089 1.00 0.00 H new ATOM 0 HA GLU A 20 97.941 -0.535 8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 20 97.030 -3.198 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 20 96.571 -2.783 7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 20 99.009 -2.272 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 20 99.389 -2.901 9.115 1.00 0.00 H new ATOM 138 N SER A 21 94.946 -0.472 9.837 1.00 0.00 N ATOM 139 CA SER A 21 93.596 0.028 9.642 1.00 0.00 C ATOM 140 C SER A 21 93.594 1.545 9.483 1.00 0.00 C ATOM 141 O SER A 21 93.118 2.073 8.478 1.00 0.00 O ATOM 142 CB SER A 21 92.737 -0.379 10.832 1.00 0.00 C ATOM 143 OG SER A 21 91.529 -0.987 10.410 1.00 0.00 O ATOM 0 H SER A 21 95.162 -0.739 10.798 1.00 0.00 H new ATOM 0 HA SER A 21 93.186 -0.403 8.729 1.00 0.00 H new ATOM 0 HB2 SER A 21 93.293 -1.070 11.465 1.00 0.00 H new ATOM 0 HB3 SER A 21 92.513 0.498 11.439 1.00 0.00 H new ATOM 0 HG SER A 21 90.998 -1.239 11.194 1.00 0.00 H new ATOM 149 N LEU A 22 94.129 2.238 10.481 1.00 0.00 N ATOM 150 CA LEU A 22 94.191 3.693 10.449 1.00 0.00 C ATOM 151 C LEU A 22 95.087 4.163 9.312 1.00 0.00 C ATOM 152 O LEU A 22 94.824 5.189 8.683 1.00 0.00 O ATOM 153 CB LEU A 22 94.710 4.235 11.783 1.00 0.00 C ATOM 154 CG LEU A 22 94.704 5.760 11.908 1.00 0.00 C ATOM 155 CD1 LEU A 22 94.312 6.180 13.317 1.00 0.00 C ATOM 156 CD2 LEU A 22 96.066 6.329 11.540 1.00 0.00 C ATOM 0 H LEU A 22 94.525 1.816 11.321 1.00 0.00 H new ATOM 0 HA LEU A 22 93.184 4.075 10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 22 94.105 3.817 12.588 1.00 0.00 H new ATOM 0 HB3 LEU A 22 95.729 3.877 11.932 1.00 0.00 H new ATOM 0 HG LEU A 22 93.965 6.159 11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 22 94.313 7.268 13.386 1.00 0.00 H new ATOM 0 HD12 LEU A 22 93.315 5.803 13.545 1.00 0.00 H new ATOM 0 HD13 LEU A 22 95.027 5.770 14.031 1.00 0.00 H new ATOM 0 HD21 LEU A 22 96.044 7.415 11.634 1.00 0.00 H new ATOM 0 HD22 LEU A 22 96.823 5.922 12.210 1.00 0.00 H new ATOM 0 HD23 LEU A 22 96.307 6.059 10.512 1.00 0.00 H new ATOM 168 N SER A 23 96.143 3.403 9.050 1.00 0.00 N ATOM 169 CA SER A 23 97.078 3.739 7.985 1.00 0.00 C ATOM 170 C SER A 23 96.467 3.455 6.620 1.00 0.00 C ATOM 171 O SER A 23 96.689 4.197 5.664 1.00 0.00 O ATOM 172 CB SER A 23 98.384 2.958 8.155 1.00 0.00 C ATOM 173 OG SER A 23 99.457 3.822 8.484 1.00 0.00 O ATOM 0 H SER A 23 96.373 2.550 9.560 1.00 0.00 H new ATOM 0 HA SER A 23 97.297 4.805 8.048 1.00 0.00 H new ATOM 0 HB2 SER A 23 98.264 2.209 8.937 1.00 0.00 H new ATOM 0 HB3 SER A 23 98.614 2.423 7.234 1.00 0.00 H new ATOM 0 HG SER A 23 100.279 3.298 8.589 1.00 0.00 H new ATOM 178 N SER A 24 95.691 2.382 6.538 1.00 0.00 N ATOM 179 CA SER A 24 95.045 2.009 5.288 1.00 0.00 C ATOM 180 C SER A 24 94.116 3.116 4.812 1.00 0.00 C ATOM 181 O SER A 24 94.008 3.380 3.614 1.00 0.00 O ATOM 182 CB SER A 24 94.251 0.721 5.455 1.00 0.00 C ATOM 183 OG SER A 24 95.070 -0.418 5.250 1.00 0.00 O ATOM 0 H SER A 24 95.495 1.757 7.320 1.00 0.00 H new ATOM 0 HA SER A 24 95.826 1.853 4.544 1.00 0.00 H new ATOM 0 HB2 SER A 24 93.818 0.685 6.455 1.00 0.00 H new ATOM 0 HB3 SER A 24 93.422 0.708 4.748 1.00 0.00 H new ATOM 0 HG SER A 24 95.276 -0.833 6.114 1.00 0.00 H new ATOM 189 N TYR A 25 93.451 3.768 5.762 1.00 0.00 N ATOM 190 CA TYR A 25 92.539 4.852 5.453 1.00 0.00 C ATOM 191 C TYR A 25 93.241 5.907 4.614 1.00 0.00 C ATOM 192 O TYR A 25 92.663 6.474 3.686 1.00 0.00 O ATOM 193 CB TYR A 25 92.040 5.454 6.758 1.00 0.00 C ATOM 194 CG TYR A 25 90.557 5.754 6.767 1.00 0.00 C ATOM 195 CD1 TYR A 25 89.624 4.728 6.833 1.00 0.00 C ATOM 196 CD2 TYR A 25 90.093 7.061 6.706 1.00 0.00 C ATOM 197 CE1 TYR A 25 88.267 4.996 6.838 1.00 0.00 C ATOM 198 CE2 TYR A 25 88.739 7.339 6.710 1.00 0.00 C ATOM 199 CZ TYR A 25 87.831 6.303 6.776 1.00 0.00 C ATOM 200 OH TYR A 25 86.482 6.575 6.781 1.00 0.00 O ATOM 0 H TYR A 25 93.531 3.558 6.757 1.00 0.00 H new ATOM 0 HA TYR A 25 91.694 4.473 4.878 1.00 0.00 H new ATOM 0 HB2 TYR A 25 92.267 4.767 7.574 1.00 0.00 H new ATOM 0 HB3 TYR A 25 92.588 6.375 6.955 1.00 0.00 H new ATOM 0 HD1 TYR A 25 89.963 3.704 6.881 1.00 0.00 H new ATOM 0 HD2 TYR A 25 90.802 7.874 6.655 1.00 0.00 H new ATOM 0 HE1 TYR A 25 87.553 4.187 6.890 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.394 8.361 6.662 1.00 0.00 H new ATOM 0 HH TYR A 25 86.343 7.544 6.734 1.00 0.00 H new ATOM 210 N TRP A 26 94.500 6.154 4.948 1.00 0.00 N ATOM 211 CA TRP A 26 95.309 7.132 4.234 1.00 0.00 C ATOM 212 C TRP A 26 96.188 6.459 3.182 1.00 0.00 C ATOM 213 O TRP A 26 96.717 7.123 2.292 1.00 0.00 O ATOM 214 CB TRP A 26 96.183 7.911 5.218 1.00 0.00 C ATOM 215 CG TRP A 26 95.487 9.091 5.819 1.00 0.00 C ATOM 216 CD1 TRP A 26 94.760 9.113 6.974 1.00 0.00 C ATOM 217 CD2 TRP A 26 95.442 10.421 5.289 1.00 0.00 C ATOM 218 NE1 TRP A 26 94.265 10.376 7.195 1.00 0.00 N ATOM 219 CE2 TRP A 26 94.670 11.197 6.175 1.00 0.00 C ATOM 220 CE3 TRP A 26 95.979 11.031 4.152 1.00 0.00 C ATOM 221 CZ2 TRP A 26 94.423 12.550 5.958 1.00 0.00 C ATOM 222 CZ3 TRP A 26 95.733 12.375 3.938 1.00 0.00 C ATOM 223 CH2 TRP A 26 94.961 13.121 4.838 1.00 0.00 C ATOM 0 H TRP A 26 94.986 5.687 5.714 1.00 0.00 H new ATOM 0 HA TRP A 26 94.634 7.820 3.726 1.00 0.00 H new ATOM 0 HB2 TRP A 26 96.505 7.242 6.016 1.00 0.00 H new ATOM 0 HB3 TRP A 26 97.083 8.251 4.705 1.00 0.00 H new ATOM 0 HD1 TRP A 26 94.598 8.263 7.620 1.00 0.00 H new ATOM 0 HE1 TRP A 26 93.690 10.657 7.989 1.00 0.00 H new ATOM 0 HE3 TRP A 26 96.575 10.463 3.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 93.828 13.128 6.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 96.143 12.857 3.063 1.00 0.00 H new ATOM 0 HH2 TRP A 26 94.787 14.169 4.643 1.00 0.00 H new ATOM 234 N GLU A 27 96.344 5.137 3.286 1.00 0.00 N ATOM 235 CA GLU A 27 97.170 4.395 2.334 1.00 0.00 C ATOM 236 C GLU A 27 96.747 4.676 0.896 1.00 0.00 C ATOM 237 O GLU A 27 97.589 4.862 0.018 1.00 0.00 O ATOM 238 CB GLU A 27 97.086 2.893 2.608 1.00 0.00 C ATOM 239 CG GLU A 27 98.091 2.403 3.637 1.00 0.00 C ATOM 240 CD GLU A 27 98.478 0.952 3.428 1.00 0.00 C ATOM 241 OE1 GLU A 27 99.264 0.675 2.498 1.00 0.00 O ATOM 242 OE2 GLU A 27 97.994 0.092 4.193 1.00 0.00 O ATOM 0 H GLU A 27 95.914 4.564 4.012 1.00 0.00 H new ATOM 0 HA GLU A 27 98.200 4.729 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 27 96.080 2.651 2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 27 97.243 2.353 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 27 98.985 3.024 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 27 97.671 2.523 4.636 1.00 0.00 H new ATOM 249 N SER A 28 95.440 4.709 0.661 1.00 0.00 N ATOM 250 CA SER A 28 94.915 4.970 -0.671 1.00 0.00 C ATOM 251 C SER A 28 95.348 6.346 -1.149 1.00 0.00 C ATOM 252 O SER A 28 95.703 6.529 -2.314 1.00 0.00 O ATOM 253 CB SER A 28 93.390 4.863 -0.669 1.00 0.00 C ATOM 254 OG SER A 28 92.785 5.991 -1.281 1.00 0.00 O ATOM 0 H SER A 28 94.727 4.558 1.375 1.00 0.00 H new ATOM 0 HA SER A 28 95.316 4.223 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 28 93.088 3.957 -1.195 1.00 0.00 H new ATOM 0 HB3 SER A 28 93.033 4.770 0.357 1.00 0.00 H new ATOM 0 HG SER A 28 91.810 5.889 -1.264 1.00 0.00 H new ATOM 260 N ALA A 29 95.330 7.306 -0.236 1.00 0.00 N ATOM 261 CA ALA A 29 95.739 8.661 -0.559 1.00 0.00 C ATOM 262 C ALA A 29 97.198 8.664 -0.974 1.00 0.00 C ATOM 263 O ALA A 29 97.601 9.385 -1.886 1.00 0.00 O ATOM 264 CB ALA A 29 95.514 9.586 0.627 1.00 0.00 C ATOM 0 H ALA A 29 95.037 7.170 0.732 1.00 0.00 H new ATOM 0 HA ALA A 29 95.134 9.028 -1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 29 95.827 10.597 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 29 94.456 9.590 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 29 96.098 9.235 1.478 1.00 0.00 H new ATOM 270 N LYS A 30 97.980 7.820 -0.311 1.00 0.00 N ATOM 271 CA LYS A 30 99.397 7.692 -0.617 1.00 0.00 C ATOM 272 C LYS A 30 99.584 6.904 -1.906 1.00 0.00 C ATOM 273 O LYS A 30 100.581 7.069 -2.607 1.00 0.00 O ATOM 274 CB LYS A 30 100.134 7.004 0.534 1.00 0.00 C ATOM 275 CG LYS A 30 101.429 7.699 0.929 1.00 0.00 C ATOM 276 CD LYS A 30 102.649 6.959 0.398 1.00 0.00 C ATOM 277 CE LYS A 30 103.280 7.693 -0.774 1.00 0.00 C ATOM 278 NZ LYS A 30 104.727 7.371 -0.916 1.00 0.00 N ATOM 0 H LYS A 30 97.655 7.214 0.442 1.00 0.00 H new ATOM 0 HA LYS A 30 99.816 8.690 -0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 30 99.476 6.960 1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 30 100.355 5.975 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 30 101.426 8.719 0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 30 101.489 7.767 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 30 103.383 6.846 1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 30 102.360 5.955 0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 30 102.757 7.428 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 30 103.159 8.768 -0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 105.121 7.891 -1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 105.231 7.647 -0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 104.842 6.349 -1.072 1.00 0.00 H new ATOM 292 N THR A 31 98.609 6.052 -2.217 1.00 0.00 N ATOM 293 CA THR A 31 98.654 5.240 -3.422 1.00 0.00 C ATOM 294 C THR A 31 98.407 6.103 -4.655 1.00 0.00 C ATOM 295 O THR A 31 99.254 6.188 -5.544 1.00 0.00 O ATOM 296 CB THR A 31 97.603 4.131 -3.336 1.00 0.00 C ATOM 297 OG1 THR A 31 98.012 3.124 -2.427 1.00 0.00 O ATOM 298 CG2 THR A 31 97.317 3.465 -4.662 1.00 0.00 C ATOM 0 H THR A 31 97.776 5.909 -1.645 1.00 0.00 H new ATOM 0 HA THR A 31 99.643 4.790 -3.508 1.00 0.00 H new ATOM 0 HB THR A 31 96.692 4.625 -2.998 1.00 0.00 H new ATOM 0 HG1 THR A 31 97.960 3.469 -1.511 1.00 0.00 H new ATOM 0 HG21 THR A 31 96.563 2.690 -4.525 1.00 0.00 H new ATOM 0 HG22 THR A 31 96.949 4.207 -5.370 1.00 0.00 H new ATOM 0 HG23 THR A 31 98.232 3.017 -5.049 1.00 0.00 H new ATOM 306 N ALA A 32 97.245 6.746 -4.695 1.00 0.00 N ATOM 307 CA ALA A 32 96.894 7.608 -5.816 1.00 0.00 C ATOM 308 C ALA A 32 97.907 8.733 -5.956 1.00 0.00 C ATOM 309 O ALA A 32 98.128 9.255 -7.048 1.00 0.00 O ATOM 310 CB ALA A 32 95.491 8.168 -5.636 1.00 0.00 C ATOM 0 H ALA A 32 96.533 6.687 -3.967 1.00 0.00 H new ATOM 0 HA ALA A 32 96.911 7.015 -6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 32 95.244 8.810 -6.482 1.00 0.00 H new ATOM 0 HB2 ALA A 32 94.776 7.347 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 32 95.446 8.749 -4.715 1.00 0.00 H new ATOM 316 N ALA A 33 98.531 9.092 -4.840 1.00 0.00 N ATOM 317 CA ALA A 33 99.535 10.145 -4.831 1.00 0.00 C ATOM 318 C ALA A 33 100.876 9.613 -5.323 1.00 0.00 C ATOM 319 O ALA A 33 101.702 10.366 -5.837 1.00 0.00 O ATOM 320 CB ALA A 33 99.674 10.733 -3.435 1.00 0.00 C ATOM 0 H ALA A 33 98.358 8.667 -3.929 1.00 0.00 H new ATOM 0 HA ALA A 33 99.211 10.935 -5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 33 100.429 11.519 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 33 98.718 11.151 -3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 33 99.975 9.950 -2.739 1.00 0.00 H new ATOM 326 N GLN A 34 101.082 8.308 -5.167 1.00 0.00 N ATOM 327 CA GLN A 34 102.321 7.674 -5.604 1.00 0.00 C ATOM 328 C GLN A 34 102.276 7.395 -7.102 1.00 0.00 C ATOM 329 O GLN A 34 103.210 7.722 -7.835 1.00 0.00 O ATOM 330 CB GLN A 34 102.552 6.370 -4.837 1.00 0.00 C ATOM 331 CG GLN A 34 103.763 6.411 -3.918 1.00 0.00 C ATOM 332 CD GLN A 34 105.021 5.905 -4.594 1.00 0.00 C ATOM 333 OE1 GLN A 34 105.021 4.630 -4.966 1.00 0.00 O flip ATOM 334 NE2 GLN A 34 105.983 6.651 -4.779 1.00 0.00 N flip ATOM 0 H GLN A 34 100.408 7.671 -4.742 1.00 0.00 H new ATOM 0 HA GLN A 34 103.147 8.355 -5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 34 101.665 6.144 -4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 34 102.675 5.555 -5.551 1.00 0.00 H new ATOM 0 HG2 GLN A 34 103.923 7.434 -3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 34 103.563 5.809 -3.032 1.00 0.00 H new ATOM 0 HE21 GLN A 34 105.939 7.624 -4.477 1.00 0.00 H new ATOM 0 HE22 GLN A 34 106.824 6.296 -5.235 1.00 0.00 H new ATOM 343 N ASN A 35 101.178 6.789 -7.547 1.00 0.00 N ATOM 344 CA ASN A 35 100.988 6.456 -8.948 1.00 0.00 C ATOM 345 C ASN A 35 101.225 7.670 -9.838 1.00 0.00 C ATOM 346 O ASN A 35 102.068 7.641 -10.734 1.00 0.00 O ATOM 347 CB ASN A 35 99.570 5.930 -9.139 1.00 0.00 C ATOM 348 CG ASN A 35 99.514 4.707 -10.033 1.00 0.00 C ATOM 349 OD1 ASN A 35 99.173 4.801 -11.212 1.00 0.00 O ATOM 350 ND2 ASN A 35 99.848 3.549 -9.473 1.00 0.00 N ATOM 0 H ASN A 35 100.400 6.518 -6.946 1.00 0.00 H new ATOM 0 HA ASN A 35 101.711 5.692 -9.234 1.00 0.00 H new ATOM 0 HB2 ASN A 35 99.144 5.683 -8.166 1.00 0.00 H new ATOM 0 HB3 ASN A 35 98.950 6.717 -9.568 1.00 0.00 H new ATOM 0 HD21 ASN A 35 99.828 2.691 -10.025 1.00 0.00 H new ATOM 0 HD22 ASN A 35 100.125 3.518 -8.492 1.00 0.00 H new ATOM 357 N LEU A 36 100.484 8.741 -9.577 1.00 0.00 N ATOM 358 CA LEU A 36 100.616 9.965 -10.338 1.00 0.00 C ATOM 359 C LEU A 36 102.030 10.522 -10.212 1.00 0.00 C ATOM 360 O LEU A 36 102.531 11.193 -11.115 1.00 0.00 O ATOM 361 CB LEU A 36 99.596 10.969 -9.820 1.00 0.00 C ATOM 362 CG LEU A 36 98.767 11.673 -10.895 1.00 0.00 C ATOM 363 CD1 LEU A 36 97.343 11.899 -10.410 1.00 0.00 C ATOM 364 CD2 LEU A 36 99.413 12.993 -11.286 1.00 0.00 C ATOM 0 H LEU A 36 99.783 8.780 -8.838 1.00 0.00 H new ATOM 0 HA LEU A 36 100.431 9.766 -11.394 1.00 0.00 H new ATOM 0 HB2 LEU A 36 98.917 10.454 -9.140 1.00 0.00 H new ATOM 0 HB3 LEU A 36 100.120 11.725 -9.235 1.00 0.00 H new ATOM 0 HG LEU A 36 98.732 11.032 -11.776 1.00 0.00 H new ATOM 0 HD11 LEU A 36 96.769 12.401 -11.189 1.00 0.00 H new ATOM 0 HD12 LEU A 36 96.880 10.939 -10.180 1.00 0.00 H new ATOM 0 HD13 LEU A 36 97.358 12.519 -9.514 1.00 0.00 H new ATOM 0 HD21 LEU A 36 98.810 13.480 -12.052 1.00 0.00 H new ATOM 0 HD22 LEU A 36 99.479 13.639 -10.411 1.00 0.00 H new ATOM 0 HD23 LEU A 36 100.414 12.807 -11.676 1.00 0.00 H new ATOM 376 N TYR A 37 102.671 10.226 -9.085 1.00 0.00 N ATOM 377 CA TYR A 37 104.030 10.686 -8.829 1.00 0.00 C ATOM 378 C TYR A 37 105.014 10.032 -9.788 1.00 0.00 C ATOM 379 O TYR A 37 105.455 10.642 -10.762 1.00 0.00 O ATOM 380 CB TYR A 37 104.424 10.384 -7.379 1.00 0.00 C ATOM 381 CG TYR A 37 104.517 11.618 -6.513 1.00 0.00 C ATOM 382 CD1 TYR A 37 103.420 12.452 -6.340 1.00 0.00 C ATOM 383 CD2 TYR A 37 105.704 11.953 -5.873 1.00 0.00 C ATOM 384 CE1 TYR A 37 103.502 13.585 -5.553 1.00 0.00 C ATOM 385 CE2 TYR A 37 105.793 13.083 -5.084 1.00 0.00 C ATOM 386 CZ TYR A 37 104.692 13.896 -4.927 1.00 0.00 C ATOM 387 OH TYR A 37 104.777 15.024 -4.144 1.00 0.00 O ATOM 0 H TYR A 37 102.268 9.667 -8.333 1.00 0.00 H new ATOM 0 HA TYR A 37 104.063 11.764 -8.989 1.00 0.00 H new ATOM 0 HB2 TYR A 37 103.694 9.700 -6.947 1.00 0.00 H new ATOM 0 HB3 TYR A 37 105.385 9.870 -7.371 1.00 0.00 H new ATOM 0 HD1 TYR A 37 102.487 12.211 -6.829 1.00 0.00 H new ATOM 0 HD2 TYR A 37 106.570 11.320 -5.994 1.00 0.00 H new ATOM 0 HE1 TYR A 37 102.640 14.223 -5.429 1.00 0.00 H new ATOM 0 HE2 TYR A 37 106.722 13.328 -4.592 1.00 0.00 H new ATOM 0 HH TYR A 37 105.682 15.099 -3.775 1.00 0.00 H new ATOM 397 N GLU A 38 105.350 8.789 -9.498 1.00 0.00 N ATOM 398 CA GLU A 38 106.284 8.031 -10.322 1.00 0.00 C ATOM 399 C GLU A 38 106.200 6.536 -10.023 1.00 0.00 C ATOM 400 O GLU A 38 107.173 5.805 -10.211 1.00 0.00 O ATOM 401 CB GLU A 38 107.713 8.532 -10.099 1.00 0.00 C ATOM 402 CG GLU A 38 108.264 9.338 -11.264 1.00 0.00 C ATOM 403 CD GLU A 38 108.963 8.470 -12.292 1.00 0.00 C ATOM 404 OE1 GLU A 38 109.908 7.746 -11.915 1.00 0.00 O ATOM 405 OE2 GLU A 38 108.565 8.515 -13.476 1.00 0.00 O ATOM 0 H GLU A 38 104.989 8.277 -8.693 1.00 0.00 H new ATOM 0 HA GLU A 38 106.010 8.183 -11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 38 107.737 9.147 -9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 38 108.365 7.677 -9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.449 9.880 -11.744 1.00 0.00 H new ATOM 0 HG3 GLU A 38 108.964 10.084 -10.887 1.00 0.00 H new ATOM 412 N LYS A 39 105.038 6.083 -9.561 1.00 0.00 N ATOM 413 CA LYS A 39 104.844 4.672 -9.248 1.00 0.00 C ATOM 414 C LYS A 39 104.419 3.907 -10.499 1.00 0.00 C ATOM 415 O LYS A 39 104.778 2.744 -10.682 1.00 0.00 O ATOM 416 CB LYS A 39 103.808 4.521 -8.123 1.00 0.00 C ATOM 417 CG LYS A 39 102.770 3.429 -8.347 1.00 0.00 C ATOM 418 CD LYS A 39 103.399 2.045 -8.325 1.00 0.00 C ATOM 419 CE LYS A 39 102.663 1.111 -7.377 1.00 0.00 C ATOM 420 NZ LYS A 39 101.628 0.306 -8.081 1.00 0.00 N ATOM 0 H LYS A 39 104.220 6.670 -9.396 1.00 0.00 H new ATOM 0 HA LYS A 39 105.786 4.248 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 39 104.334 4.316 -7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 39 103.291 5.472 -7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 39 102.002 3.493 -7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 39 102.274 3.589 -9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.390 1.625 -9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 39 104.443 2.124 -8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.379 0.443 -6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 39 102.193 1.694 -6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 101.150 -0.317 -7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 100.930 0.942 -8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 102.080 -0.271 -8.819 1.00 0.00 H new ATOM 434 N THR A 40 103.649 4.571 -11.355 1.00 0.00 N ATOM 435 CA THR A 40 103.171 3.961 -12.587 1.00 0.00 C ATOM 436 C THR A 40 103.171 4.968 -13.741 1.00 0.00 C ATOM 437 O THR A 40 103.186 4.578 -14.909 1.00 0.00 O ATOM 438 CB THR A 40 101.766 3.390 -12.371 1.00 0.00 C ATOM 439 OG1 THR A 40 101.828 2.144 -11.701 1.00 0.00 O ATOM 440 CG2 THR A 40 100.992 3.181 -13.654 1.00 0.00 C ATOM 0 H THR A 40 103.343 5.534 -11.216 1.00 0.00 H new ATOM 0 HA THR A 40 103.849 3.151 -12.856 1.00 0.00 H new ATOM 0 HB THR A 40 101.245 4.138 -11.773 1.00 0.00 H new ATOM 0 HG1 THR A 40 102.554 1.605 -12.079 1.00 0.00 H new ATOM 0 HG21 THR A 40 100.007 2.775 -13.423 1.00 0.00 H new ATOM 0 HG22 THR A 40 100.879 4.134 -14.170 1.00 0.00 H new ATOM 0 HG23 THR A 40 101.531 2.483 -14.295 1.00 0.00 H new ATOM 448 N TYR A 41 103.156 6.261 -13.414 1.00 0.00 N ATOM 449 CA TYR A 41 103.160 7.310 -14.428 1.00 0.00 C ATOM 450 C TYR A 41 104.222 7.039 -15.488 1.00 0.00 C ATOM 451 O TYR A 41 103.906 6.808 -16.656 1.00 0.00 O ATOM 452 CB TYR A 41 103.410 8.665 -13.767 1.00 0.00 C ATOM 453 CG TYR A 41 102.541 9.780 -14.306 1.00 0.00 C ATOM 454 CD1 TYR A 41 101.186 9.838 -14.008 1.00 0.00 C ATOM 455 CD2 TYR A 41 103.081 10.778 -15.109 1.00 0.00 C ATOM 456 CE1 TYR A 41 100.391 10.858 -14.496 1.00 0.00 C ATOM 457 CE2 TYR A 41 102.292 11.803 -15.599 1.00 0.00 C ATOM 458 CZ TYR A 41 100.948 11.838 -15.290 1.00 0.00 C ATOM 459 OH TYR A 41 100.160 12.855 -15.777 1.00 0.00 O ATOM 0 H TYR A 41 103.141 6.604 -12.454 1.00 0.00 H new ATOM 0 HA TYR A 41 102.187 7.321 -14.919 1.00 0.00 H new ATOM 0 HB2 TYR A 41 103.240 8.572 -12.694 1.00 0.00 H new ATOM 0 HB3 TYR A 41 104.457 8.936 -13.902 1.00 0.00 H new ATOM 0 HD1 TYR A 41 100.746 9.074 -13.385 1.00 0.00 H new ATOM 0 HD2 TYR A 41 104.133 10.753 -15.354 1.00 0.00 H new ATOM 0 HE1 TYR A 41 99.338 10.887 -14.256 1.00 0.00 H new ATOM 0 HE2 TYR A 41 102.726 12.572 -16.221 1.00 0.00 H new ATOM 0 HH TYR A 41 100.707 13.462 -16.318 1.00 0.00 H new ATOM 469 N LEU A 42 105.478 7.056 -15.066 1.00 0.00 N ATOM 470 CA LEU A 42 106.591 6.804 -15.973 1.00 0.00 C ATOM 471 C LEU A 42 107.788 6.219 -15.225 1.00 0.00 C ATOM 472 O LEU A 42 108.918 6.680 -15.386 1.00 0.00 O ATOM 473 CB LEU A 42 106.995 8.095 -16.691 1.00 0.00 C ATOM 474 CG LEU A 42 106.305 8.331 -18.035 1.00 0.00 C ATOM 475 CD1 LEU A 42 106.063 9.816 -18.259 1.00 0.00 C ATOM 476 CD2 LEU A 42 107.136 7.749 -19.168 1.00 0.00 C ATOM 0 H LEU A 42 105.753 7.242 -14.101 1.00 0.00 H new ATOM 0 HA LEU A 42 106.264 6.075 -16.714 1.00 0.00 H new ATOM 0 HB2 LEU A 42 106.780 8.939 -16.036 1.00 0.00 H new ATOM 0 HB3 LEU A 42 108.073 8.082 -16.851 1.00 0.00 H new ATOM 0 HG LEU A 42 105.340 7.825 -18.020 1.00 0.00 H new ATOM 0 HD11 LEU A 42 105.571 9.964 -19.221 1.00 0.00 H new ATOM 0 HD12 LEU A 42 105.428 10.205 -17.463 1.00 0.00 H new ATOM 0 HD13 LEU A 42 107.016 10.345 -18.254 1.00 0.00 H new ATOM 0 HD21 LEU A 42 106.631 7.925 -20.118 1.00 0.00 H new ATOM 0 HD22 LEU A 42 108.115 8.227 -19.184 1.00 0.00 H new ATOM 0 HD23 LEU A 42 107.258 6.677 -19.016 1.00 0.00 H new ATOM 488 N PRO A 43 107.558 5.181 -14.402 1.00 0.00 N ATOM 489 CA PRO A 43 108.626 4.529 -13.645 1.00 0.00 C ATOM 490 C PRO A 43 109.500 3.663 -14.540 1.00 0.00 C ATOM 491 O PRO A 43 110.662 3.402 -14.229 1.00 0.00 O ATOM 492 CB PRO A 43 107.865 3.663 -12.642 1.00 0.00 C ATOM 493 CG PRO A 43 106.582 3.345 -13.326 1.00 0.00 C ATOM 494 CD PRO A 43 106.244 4.554 -14.156 1.00 0.00 C ATOM 0 HA PRO A 43 109.304 5.244 -13.179 1.00 0.00 H new ATOM 0 HB2 PRO A 43 108.420 2.757 -12.397 1.00 0.00 H new ATOM 0 HB3 PRO A 43 107.695 4.195 -11.706 1.00 0.00 H new ATOM 0 HG2 PRO A 43 106.683 2.458 -13.951 1.00 0.00 H new ATOM 0 HG3 PRO A 43 105.795 3.137 -12.602 1.00 0.00 H new ATOM 0 HD2 PRO A 43 105.751 4.276 -15.088 1.00 0.00 H new ATOM 0 HD3 PRO A 43 105.570 5.228 -13.627 1.00 0.00 H new ATOM 502 N ALA A 44 108.928 3.218 -15.657 1.00 0.00 N ATOM 503 CA ALA A 44 109.650 2.376 -16.606 1.00 0.00 C ATOM 504 C ALA A 44 109.852 0.978 -16.042 1.00 0.00 C ATOM 505 O ALA A 44 110.829 0.302 -16.361 1.00 0.00 O ATOM 506 CB ALA A 44 110.991 2.998 -16.957 1.00 0.00 C ATOM 0 H ALA A 44 107.967 3.427 -15.926 1.00 0.00 H new ATOM 0 HA ALA A 44 109.051 2.299 -17.514 1.00 0.00 H new ATOM 0 HB1 ALA A 44 111.515 2.357 -17.665 1.00 0.00 H new ATOM 0 HB2 ALA A 44 110.831 3.979 -17.405 1.00 0.00 H new ATOM 0 HB3 ALA A 44 111.590 3.105 -16.053 1.00 0.00 H new ATOM 512 N VAL A 45 108.930 0.561 -15.187 1.00 0.00 N ATOM 513 CA VAL A 45 109.006 -0.748 -14.561 1.00 0.00 C ATOM 514 C VAL A 45 107.601 -1.313 -14.332 1.00 0.00 C ATOM 515 O VAL A 45 107.052 -1.998 -15.195 1.00 0.00 O ATOM 516 CB VAL A 45 109.779 -0.652 -13.228 1.00 0.00 C ATOM 517 CG1 VAL A 45 109.807 -1.986 -12.505 1.00 0.00 C ATOM 518 CG2 VAL A 45 111.193 -0.147 -13.474 1.00 0.00 C ATOM 0 H VAL A 45 108.118 1.113 -14.911 1.00 0.00 H new ATOM 0 HA VAL A 45 109.541 -1.426 -15.225 1.00 0.00 H new ATOM 0 HB VAL A 45 109.257 0.059 -12.588 1.00 0.00 H new ATOM 0 HG11 VAL A 45 110.359 -1.882 -11.571 1.00 0.00 H new ATOM 0 HG12 VAL A 45 108.787 -2.305 -12.290 1.00 0.00 H new ATOM 0 HG13 VAL A 45 110.295 -2.731 -13.134 1.00 0.00 H new ATOM 0 HG21 VAL A 45 111.727 -0.084 -12.526 1.00 0.00 H new ATOM 0 HG22 VAL A 45 111.715 -0.835 -14.139 1.00 0.00 H new ATOM 0 HG23 VAL A 45 111.152 0.841 -13.933 1.00 0.00 H new ATOM 528 N ASP A 46 107.015 -1.002 -13.179 1.00 0.00 N ATOM 529 CA ASP A 46 105.667 -1.450 -12.847 1.00 0.00 C ATOM 530 C ASP A 46 105.564 -2.962 -12.677 1.00 0.00 C ATOM 531 O ASP A 46 105.417 -3.698 -13.649 1.00 0.00 O ATOM 532 CB ASP A 46 104.673 -0.986 -13.912 1.00 0.00 C ATOM 533 CG ASP A 46 104.034 0.344 -13.567 1.00 0.00 C ATOM 534 OD1 ASP A 46 104.605 1.390 -13.939 1.00 0.00 O ATOM 535 OD2 ASP A 46 102.965 0.338 -12.923 1.00 0.00 O ATOM 0 H ASP A 46 107.457 -0.437 -12.454 1.00 0.00 H new ATOM 0 HA ASP A 46 105.423 -0.999 -11.885 1.00 0.00 H new ATOM 0 HB2 ASP A 46 105.185 -0.902 -14.871 1.00 0.00 H new ATOM 0 HB3 ASP A 46 103.895 -1.740 -14.031 1.00 0.00 H new ATOM 540 N GLU A 47 105.597 -3.391 -11.418 1.00 0.00 N ATOM 541 CA GLU A 47 105.466 -4.807 -11.040 1.00 0.00 C ATOM 542 C GLU A 47 106.161 -5.762 -12.008 1.00 0.00 C ATOM 543 O GLU A 47 107.214 -6.313 -11.690 1.00 0.00 O ATOM 544 CB GLU A 47 103.988 -5.189 -10.921 1.00 0.00 C ATOM 545 CG GLU A 47 103.045 -4.269 -11.682 1.00 0.00 C ATOM 546 CD GLU A 47 101.614 -4.769 -11.681 1.00 0.00 C ATOM 547 OE1 GLU A 47 101.105 -5.110 -10.592 1.00 0.00 O ATOM 548 OE2 GLU A 47 101.002 -4.819 -12.768 1.00 0.00 O ATOM 0 H GLU A 47 105.716 -2.766 -10.621 1.00 0.00 H new ATOM 0 HA GLU A 47 105.965 -4.911 -10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 47 103.857 -6.208 -11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 47 103.707 -5.188 -9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 47 103.078 -3.274 -11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 47 103.391 -4.171 -12.711 1.00 0.00 H new ATOM 555 N LYS A 48 105.563 -5.963 -13.186 1.00 0.00 N ATOM 556 CA LYS A 48 106.124 -6.859 -14.198 1.00 0.00 C ATOM 557 C LYS A 48 107.636 -6.718 -14.252 1.00 0.00 C ATOM 558 O LYS A 48 108.360 -7.686 -14.481 1.00 0.00 O ATOM 559 CB LYS A 48 105.518 -6.559 -15.571 1.00 0.00 C ATOM 560 CG LYS A 48 105.266 -7.802 -16.408 1.00 0.00 C ATOM 561 CD LYS A 48 104.201 -8.688 -15.783 1.00 0.00 C ATOM 562 CE LYS A 48 103.856 -9.867 -16.681 1.00 0.00 C ATOM 563 NZ LYS A 48 102.430 -9.844 -17.106 1.00 0.00 N ATOM 0 H LYS A 48 104.689 -5.516 -13.461 1.00 0.00 H new ATOM 0 HA LYS A 48 105.878 -7.885 -13.923 1.00 0.00 H new ATOM 0 HB2 LYS A 48 104.577 -6.025 -15.435 1.00 0.00 H new ATOM 0 HB3 LYS A 48 106.186 -5.893 -16.116 1.00 0.00 H new ATOM 0 HG2 LYS A 48 104.955 -7.510 -17.411 1.00 0.00 H new ATOM 0 HG3 LYS A 48 106.193 -8.365 -16.513 1.00 0.00 H new ATOM 0 HD2 LYS A 48 104.552 -9.055 -14.819 1.00 0.00 H new ATOM 0 HD3 LYS A 48 103.303 -8.100 -15.593 1.00 0.00 H new ATOM 0 HE2 LYS A 48 104.497 -9.852 -17.562 1.00 0.00 H new ATOM 0 HE3 LYS A 48 104.062 -10.798 -16.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 102.236 -10.664 -17.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 101.817 -9.884 -16.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 102.239 -8.968 -17.633 1.00 0.00 H new ATOM 577 N LEU A 49 108.098 -5.500 -14.011 1.00 0.00 N ATOM 578 CA LEU A 49 109.521 -5.206 -14.001 1.00 0.00 C ATOM 579 C LEU A 49 110.003 -4.971 -12.569 1.00 0.00 C ATOM 580 O LEU A 49 111.181 -5.158 -12.264 1.00 0.00 O ATOM 581 CB LEU A 49 109.814 -3.980 -14.866 1.00 0.00 C ATOM 582 CG LEU A 49 109.914 -4.254 -16.367 1.00 0.00 C ATOM 583 CD1 LEU A 49 109.871 -2.953 -17.152 1.00 0.00 C ATOM 584 CD2 LEU A 49 111.187 -5.027 -16.685 1.00 0.00 C ATOM 0 H LEU A 49 107.502 -4.695 -13.819 1.00 0.00 H new ATOM 0 HA LEU A 49 110.057 -6.061 -14.414 1.00 0.00 H new ATOM 0 HB2 LEU A 49 109.030 -3.241 -14.699 1.00 0.00 H new ATOM 0 HB3 LEU A 49 110.750 -3.533 -14.531 1.00 0.00 H new ATOM 0 HG LEU A 49 109.059 -4.862 -16.662 1.00 0.00 H new ATOM 0 HD11 LEU A 49 109.943 -3.169 -18.218 1.00 0.00 H new ATOM 0 HD12 LEU A 49 108.933 -2.437 -16.949 1.00 0.00 H new ATOM 0 HD13 LEU A 49 110.706 -2.320 -16.852 1.00 0.00 H new ATOM 0 HD21 LEU A 49 111.241 -5.213 -17.758 1.00 0.00 H new ATOM 0 HD22 LEU A 49 112.054 -4.444 -16.373 1.00 0.00 H new ATOM 0 HD23 LEU A 49 111.178 -5.978 -16.152 1.00 0.00 H new ATOM 596 N ARG A 50 109.084 -4.555 -11.693 1.00 0.00 N ATOM 597 CA ARG A 50 109.425 -4.293 -10.298 1.00 0.00 C ATOM 598 C ARG A 50 109.097 -5.493 -9.415 1.00 0.00 C ATOM 599 O ARG A 50 108.683 -5.335 -8.266 1.00 0.00 O ATOM 600 CB ARG A 50 108.674 -3.059 -9.792 1.00 0.00 C ATOM 601 CG ARG A 50 109.539 -2.102 -8.988 1.00 0.00 C ATOM 602 CD ARG A 50 108.819 -0.787 -8.737 1.00 0.00 C ATOM 603 NE ARG A 50 107.461 -1.000 -8.240 1.00 0.00 N ATOM 604 CZ ARG A 50 106.378 -0.403 -8.736 1.00 0.00 C ATOM 605 NH1 ARG A 50 106.479 0.469 -9.733 1.00 0.00 N ATOM 606 NH2 ARG A 50 105.183 -0.676 -8.228 1.00 0.00 N ATOM 0 H ARG A 50 108.104 -4.394 -11.926 1.00 0.00 H new ATOM 0 HA ARG A 50 110.498 -4.110 -10.245 1.00 0.00 H new ATOM 0 HB2 ARG A 50 108.254 -2.526 -10.645 1.00 0.00 H new ATOM 0 HB3 ARG A 50 107.836 -3.383 -9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 50 109.805 -2.561 -8.036 1.00 0.00 H new ATOM 0 HG3 ARG A 50 110.470 -1.913 -9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 50 109.382 -0.196 -8.015 1.00 0.00 H new ATOM 0 HD3 ARG A 50 108.782 -0.210 -9.661 1.00 0.00 H new ATOM 0 HE ARG A 50 107.334 -1.648 -7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 50 107.393 0.688 -10.128 1.00 0.00 H new ATOM 0 HH12 ARG A 50 105.642 0.919 -10.104 1.00 0.00 H new ATOM 0 HH21 ARG A 50 105.095 -1.341 -7.460 1.00 0.00 H new ATOM 0 HH22 ARG A 50 104.352 -0.221 -8.606 1.00 0.00 H new ATOM 620 N ASP A 51 109.285 -6.691 -9.954 1.00 0.00 N ATOM 621 CA ASP A 51 109.011 -7.912 -9.206 1.00 0.00 C ATOM 622 C ASP A 51 110.189 -8.875 -9.280 1.00 0.00 C ATOM 623 O ASP A 51 110.527 -9.531 -8.297 1.00 0.00 O ATOM 624 CB ASP A 51 107.748 -8.593 -9.740 1.00 0.00 C ATOM 625 CG ASP A 51 106.513 -8.225 -8.941 1.00 0.00 C ATOM 626 OD1 ASP A 51 105.943 -7.143 -9.193 1.00 0.00 O ATOM 627 OD2 ASP A 51 106.115 -9.021 -8.064 1.00 0.00 O ATOM 0 H ASP A 51 109.625 -6.843 -10.903 1.00 0.00 H new ATOM 0 HA ASP A 51 108.855 -7.638 -8.163 1.00 0.00 H new ATOM 0 HB2 ASP A 51 107.600 -8.312 -10.783 1.00 0.00 H new ATOM 0 HB3 ASP A 51 107.884 -9.674 -9.717 1.00 0.00 H new ATOM 632 N LEU A 52 110.815 -8.957 -10.447 1.00 0.00 N ATOM 633 CA LEU A 52 111.958 -9.843 -10.634 1.00 0.00 C ATOM 634 C LEU A 52 113.048 -9.530 -9.616 1.00 0.00 C ATOM 635 O LEU A 52 113.708 -10.430 -9.094 1.00 0.00 O ATOM 636 CB LEU A 52 112.513 -9.706 -12.053 1.00 0.00 C ATOM 637 CG LEU A 52 113.018 -8.309 -12.419 1.00 0.00 C ATOM 638 CD1 LEU A 52 114.488 -8.160 -12.059 1.00 0.00 C ATOM 639 CD2 LEU A 52 112.801 -8.036 -13.899 1.00 0.00 C ATOM 0 H LEU A 52 110.552 -8.423 -11.276 1.00 0.00 H new ATOM 0 HA LEU A 52 111.623 -10.870 -10.485 1.00 0.00 H new ATOM 0 HB2 LEU A 52 113.331 -10.415 -12.177 1.00 0.00 H new ATOM 0 HB3 LEU A 52 111.734 -9.991 -12.760 1.00 0.00 H new ATOM 0 HG LEU A 52 112.449 -7.577 -11.846 1.00 0.00 H new ATOM 0 HD11 LEU A 52 114.829 -7.160 -12.327 1.00 0.00 H new ATOM 0 HD12 LEU A 52 114.617 -8.313 -10.988 1.00 0.00 H new ATOM 0 HD13 LEU A 52 115.073 -8.901 -12.604 1.00 0.00 H new ATOM 0 HD21 LEU A 52 113.166 -7.038 -14.142 1.00 0.00 H new ATOM 0 HD22 LEU A 52 113.344 -8.775 -14.489 1.00 0.00 H new ATOM 0 HD23 LEU A 52 111.737 -8.099 -14.129 1.00 0.00 H new ATOM 651 N TYR A 53 113.223 -8.244 -9.338 1.00 0.00 N ATOM 652 CA TYR A 53 114.230 -7.785 -8.388 1.00 0.00 C ATOM 653 C TYR A 53 113.723 -7.870 -6.952 1.00 0.00 C ATOM 654 O TYR A 53 114.359 -8.477 -6.093 1.00 0.00 O ATOM 655 CB TYR A 53 114.610 -6.339 -8.700 1.00 0.00 C ATOM 656 CG TYR A 53 116.074 -6.043 -8.480 1.00 0.00 C ATOM 657 CD1 TYR A 53 116.558 -5.736 -7.214 1.00 0.00 C ATOM 658 CD2 TYR A 53 116.978 -6.087 -9.534 1.00 0.00 C ATOM 659 CE1 TYR A 53 117.899 -5.481 -7.005 1.00 0.00 C ATOM 660 CE2 TYR A 53 118.321 -5.830 -9.334 1.00 0.00 C ATOM 661 CZ TYR A 53 118.777 -5.528 -8.068 1.00 0.00 C ATOM 662 OH TYR A 53 120.113 -5.275 -7.864 1.00 0.00 O ATOM 0 H TYR A 53 112.676 -7.494 -9.761 1.00 0.00 H new ATOM 0 HA TYR A 53 115.101 -8.433 -8.485 1.00 0.00 H new ATOM 0 HB2 TYR A 53 114.354 -6.120 -9.737 1.00 0.00 H new ATOM 0 HB3 TYR A 53 114.014 -5.672 -8.077 1.00 0.00 H new ATOM 0 HD1 TYR A 53 115.874 -5.696 -6.379 1.00 0.00 H new ATOM 0 HD2 TYR A 53 116.625 -6.326 -10.526 1.00 0.00 H new ATOM 0 HE1 TYR A 53 118.259 -5.246 -6.014 1.00 0.00 H new ATOM 0 HE2 TYR A 53 119.010 -5.865 -10.165 1.00 0.00 H new ATOM 0 HH TYR A 53 120.594 -5.350 -8.715 1.00 0.00 H new ATOM 672 N SER A 54 112.582 -7.236 -6.698 1.00 0.00 N ATOM 673 CA SER A 54 111.993 -7.203 -5.357 1.00 0.00 C ATOM 674 C SER A 54 111.306 -8.505 -4.975 1.00 0.00 C ATOM 675 O SER A 54 110.496 -8.532 -4.048 1.00 0.00 O ATOM 676 CB SER A 54 111.002 -6.043 -5.239 1.00 0.00 C ATOM 677 OG SER A 54 111.166 -5.121 -6.304 1.00 0.00 O ATOM 0 H SER A 54 112.043 -6.735 -7.404 1.00 0.00 H new ATOM 0 HA SER A 54 112.820 -7.060 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 54 109.983 -6.430 -5.242 1.00 0.00 H new ATOM 0 HB3 SER A 54 111.146 -5.533 -4.287 1.00 0.00 H new ATOM 0 HG SER A 54 110.401 -5.186 -6.913 1.00 0.00 H new ATOM 683 N LYS A 55 111.644 -9.586 -5.655 1.00 0.00 N ATOM 684 CA LYS A 55 111.066 -10.879 -5.331 1.00 0.00 C ATOM 685 C LYS A 55 112.147 -11.944 -5.222 1.00 0.00 C ATOM 686 O LYS A 55 111.937 -12.985 -4.601 1.00 0.00 O ATOM 687 CB LYS A 55 110.007 -11.290 -6.355 1.00 0.00 C ATOM 688 CG LYS A 55 109.064 -12.373 -5.854 1.00 0.00 C ATOM 689 CD LYS A 55 108.151 -11.854 -4.755 1.00 0.00 C ATOM 690 CE LYS A 55 106.836 -11.342 -5.316 1.00 0.00 C ATOM 691 NZ LYS A 55 105.740 -12.340 -5.162 1.00 0.00 N ATOM 0 H LYS A 55 112.309 -9.596 -6.428 1.00 0.00 H new ATOM 0 HA LYS A 55 110.575 -10.786 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 55 109.424 -10.413 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 55 110.505 -11.643 -7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 55 108.462 -12.744 -6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 55 109.644 -13.216 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 55 107.955 -12.651 -4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 55 108.653 -11.052 -4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 55 106.560 -10.418 -4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 55 106.961 -11.100 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 104.860 -11.952 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 105.992 -13.213 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 105.603 -12.552 -4.153 1.00 0.00 H new ATOM 705 N SER A 56 113.320 -11.666 -5.794 1.00 0.00 N ATOM 706 CA SER A 56 114.442 -12.594 -5.715 1.00 0.00 C ATOM 707 C SER A 56 114.582 -13.089 -4.280 1.00 0.00 C ATOM 708 O SER A 56 114.941 -14.238 -4.025 1.00 0.00 O ATOM 709 CB SER A 56 115.727 -11.890 -6.150 1.00 0.00 C ATOM 710 OG SER A 56 116.872 -12.641 -5.785 1.00 0.00 O ATOM 0 H SER A 56 113.514 -10.810 -6.313 1.00 0.00 H new ATOM 0 HA SER A 56 114.263 -13.442 -6.376 1.00 0.00 H new ATOM 0 HB2 SER A 56 115.716 -11.741 -7.230 1.00 0.00 H new ATOM 0 HB3 SER A 56 115.776 -10.902 -5.693 1.00 0.00 H new ATOM 0 HG SER A 56 117.680 -12.169 -6.077 1.00 0.00 H new ATOM 716 N THR A 57 114.267 -12.188 -3.356 1.00 0.00 N ATOM 717 CA THR A 57 114.321 -12.469 -1.931 1.00 0.00 C ATOM 718 C THR A 57 113.936 -11.219 -1.145 1.00 0.00 C ATOM 719 O THR A 57 114.464 -10.970 -0.062 1.00 0.00 O ATOM 720 CB THR A 57 115.724 -12.925 -1.530 1.00 0.00 C ATOM 721 OG1 THR A 57 115.786 -13.198 -0.142 1.00 0.00 O ATOM 722 CG2 THR A 57 116.797 -11.905 -1.846 1.00 0.00 C ATOM 0 H THR A 57 113.966 -11.239 -3.578 1.00 0.00 H new ATOM 0 HA THR A 57 113.617 -13.269 -1.703 1.00 0.00 H new ATOM 0 HB THR A 57 115.914 -13.823 -2.117 1.00 0.00 H new ATOM 0 HG1 THR A 57 115.431 -12.434 0.358 1.00 0.00 H new ATOM 0 HG21 THR A 57 117.768 -12.291 -1.536 1.00 0.00 H new ATOM 0 HG22 THR A 57 116.809 -11.710 -2.918 1.00 0.00 H new ATOM 0 HG23 THR A 57 116.587 -10.979 -1.311 1.00 0.00 H new ATOM 730 N ALA A 58 113.035 -10.410 -1.718 1.00 0.00 N ATOM 731 CA ALA A 58 112.613 -9.168 -1.086 1.00 0.00 C ATOM 732 C ALA A 58 113.715 -8.139 -1.247 1.00 0.00 C ATOM 733 O ALA A 58 114.056 -7.413 -0.313 1.00 0.00 O ATOM 734 CB ALA A 58 112.284 -9.384 0.386 1.00 0.00 C ATOM 0 H ALA A 58 112.589 -10.599 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 58 111.704 -8.809 -1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 58 111.972 -8.439 0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 58 111.477 -10.111 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 58 113.167 -9.756 0.905 1.00 0.00 H new ATOM 740 N ALA A 59 114.279 -8.101 -2.449 1.00 0.00 N ATOM 741 CA ALA A 59 115.369 -7.177 -2.753 1.00 0.00 C ATOM 742 C ALA A 59 114.934 -5.726 -2.595 1.00 0.00 C ATOM 743 O ALA A 59 115.729 -4.867 -2.214 1.00 0.00 O ATOM 744 CB ALA A 59 115.897 -7.422 -4.158 1.00 0.00 C ATOM 0 H ALA A 59 114.001 -8.697 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 59 116.170 -7.363 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 59 116.708 -6.725 -4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 59 116.267 -8.444 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 59 115.094 -7.272 -4.880 1.00 0.00 H new ATOM 750 N MET A 60 113.670 -5.458 -2.893 1.00 0.00 N ATOM 751 CA MET A 60 113.130 -4.104 -2.784 1.00 0.00 C ATOM 752 C MET A 60 111.756 -4.096 -2.115 1.00 0.00 C ATOM 753 O MET A 60 111.153 -3.038 -1.942 1.00 0.00 O ATOM 754 CB MET A 60 113.034 -3.455 -4.165 1.00 0.00 C ATOM 755 CG MET A 60 114.365 -3.368 -4.895 1.00 0.00 C ATOM 756 SD MET A 60 114.400 -2.042 -6.116 1.00 0.00 S ATOM 757 CE MET A 60 115.640 -2.659 -7.250 1.00 0.00 C ATOM 0 H MET A 60 112.998 -6.156 -3.212 1.00 0.00 H new ATOM 0 HA MET A 60 113.815 -3.530 -2.160 1.00 0.00 H new ATOM 0 HB2 MET A 60 112.332 -4.023 -4.775 1.00 0.00 H new ATOM 0 HB3 MET A 60 112.623 -2.451 -4.057 1.00 0.00 H new ATOM 0 HG2 MET A 60 115.163 -3.210 -4.170 1.00 0.00 H new ATOM 0 HG3 MET A 60 114.567 -4.318 -5.390 1.00 0.00 H new ATOM 0 HE1 MET A 60 116.020 -1.837 -7.856 1.00 0.00 H new ATOM 0 HE2 MET A 60 116.460 -3.103 -6.686 1.00 0.00 H new ATOM 0 HE3 MET A 60 115.196 -3.413 -7.899 1.00 0.00 H new ATOM 767 N SER A 61 111.263 -5.274 -1.741 1.00 0.00 N ATOM 768 CA SER A 61 109.962 -5.382 -1.091 1.00 0.00 C ATOM 769 C SER A 61 110.071 -5.034 0.389 1.00 0.00 C ATOM 770 O SER A 61 109.387 -4.135 0.880 1.00 0.00 O ATOM 771 CB SER A 61 109.404 -6.797 -1.256 1.00 0.00 C ATOM 772 OG SER A 61 108.588 -6.892 -2.411 1.00 0.00 O ATOM 0 H SER A 61 111.743 -6.163 -1.877 1.00 0.00 H new ATOM 0 HA SER A 61 109.282 -4.675 -1.565 1.00 0.00 H new ATOM 0 HB2 SER A 61 110.226 -7.509 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 61 108.824 -7.068 -0.374 1.00 0.00 H new ATOM 0 HG SER A 61 109.046 -7.427 -3.092 1.00 0.00 H new ATOM 778 N THR A 62 110.942 -5.750 1.090 1.00 0.00 N ATOM 779 CA THR A 62 111.155 -5.522 2.516 1.00 0.00 C ATOM 780 C THR A 62 112.338 -4.585 2.750 1.00 0.00 C ATOM 781 O THR A 62 112.513 -4.056 3.848 1.00 0.00 O ATOM 782 CB THR A 62 111.393 -6.853 3.230 1.00 0.00 C ATOM 783 OG1 THR A 62 110.345 -7.765 2.953 1.00 0.00 O ATOM 784 CG2 THR A 62 111.496 -6.716 4.734 1.00 0.00 C ATOM 0 H THR A 62 111.514 -6.496 0.694 1.00 0.00 H new ATOM 0 HA THR A 62 110.260 -5.051 2.923 1.00 0.00 H new ATOM 0 HB THR A 62 112.346 -7.218 2.849 1.00 0.00 H new ATOM 0 HG1 THR A 62 110.516 -8.611 3.417 1.00 0.00 H new ATOM 0 HG21 THR A 62 111.665 -7.697 5.178 1.00 0.00 H new ATOM 0 HG22 THR A 62 112.328 -6.057 4.983 1.00 0.00 H new ATOM 0 HG23 THR A 62 110.570 -6.295 5.125 1.00 0.00 H new ATOM 792 N TYR A 63 113.146 -4.378 1.712 1.00 0.00 N ATOM 793 CA TYR A 63 114.304 -3.508 1.798 1.00 0.00 C ATOM 794 C TYR A 63 113.881 -2.051 1.891 1.00 0.00 C ATOM 795 O TYR A 63 114.573 -1.228 2.490 1.00 0.00 O ATOM 796 CB TYR A 63 115.168 -3.711 0.567 1.00 0.00 C ATOM 797 CG TYR A 63 116.621 -3.989 0.879 1.00 0.00 C ATOM 798 CD1 TYR A 63 117.476 -2.966 1.269 1.00 0.00 C ATOM 799 CD2 TYR A 63 117.138 -5.275 0.785 1.00 0.00 C ATOM 800 CE1 TYR A 63 118.803 -3.215 1.558 1.00 0.00 C ATOM 801 CE2 TYR A 63 118.466 -5.533 1.072 1.00 0.00 C ATOM 802 CZ TYR A 63 119.293 -4.500 1.457 1.00 0.00 C ATOM 803 OH TYR A 63 120.615 -4.754 1.744 1.00 0.00 O ATOM 0 H TYR A 63 113.013 -4.808 0.797 1.00 0.00 H new ATOM 0 HA TYR A 63 114.867 -3.758 2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 63 114.766 -4.541 -0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 63 115.105 -2.822 -0.060 1.00 0.00 H new ATOM 0 HD1 TYR A 63 117.096 -1.958 1.348 1.00 0.00 H new ATOM 0 HD2 TYR A 63 116.492 -6.086 0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 63 119.453 -2.408 1.861 1.00 0.00 H new ATOM 0 HE2 TYR A 63 118.853 -6.538 0.995 1.00 0.00 H new ATOM 0 HH TYR A 63 120.798 -5.709 1.625 1.00 0.00 H new ATOM 813 N THR A 64 112.733 -1.740 1.298 1.00 0.00 N ATOM 814 CA THR A 64 112.206 -0.380 1.321 1.00 0.00 C ATOM 815 C THR A 64 112.126 0.123 2.754 1.00 0.00 C ATOM 816 O THR A 64 112.173 1.325 3.014 1.00 0.00 O ATOM 817 CB THR A 64 110.826 -0.324 0.663 1.00 0.00 C ATOM 818 OG1 THR A 64 110.585 -1.492 -0.102 1.00 0.00 O ATOM 819 CG2 THR A 64 110.647 0.868 -0.252 1.00 0.00 C ATOM 0 H THR A 64 112.150 -2.410 0.796 1.00 0.00 H new ATOM 0 HA THR A 64 112.881 0.263 0.756 1.00 0.00 H new ATOM 0 HB THR A 64 110.118 -0.239 1.487 1.00 0.00 H new ATOM 0 HG1 THR A 64 111.236 -1.544 -0.833 1.00 0.00 H new ATOM 0 HG21 THR A 64 109.647 0.847 -0.686 1.00 0.00 H new ATOM 0 HG22 THR A 64 110.776 1.788 0.319 1.00 0.00 H new ATOM 0 HG23 THR A 64 111.389 0.829 -1.049 1.00 0.00 H new ATOM 827 N GLY A 65 112.024 -0.820 3.679 1.00 0.00 N ATOM 828 CA GLY A 65 111.961 -0.485 5.085 1.00 0.00 C ATOM 829 C GLY A 65 113.325 -0.550 5.742 1.00 0.00 C ATOM 830 O GLY A 65 113.544 0.049 6.794 1.00 0.00 O ATOM 0 H GLY A 65 111.984 -1.819 3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 65 111.549 0.517 5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 65 111.281 -1.170 5.591 1.00 0.00 H new ATOM 834 N ILE A 66 114.251 -1.275 5.113 1.00 0.00 N ATOM 835 CA ILE A 66 115.602 -1.407 5.640 1.00 0.00 C ATOM 836 C ILE A 66 116.535 -0.372 5.021 1.00 0.00 C ATOM 837 O ILE A 66 117.653 -0.167 5.495 1.00 0.00 O ATOM 838 CB ILE A 66 116.171 -2.816 5.383 1.00 0.00 C ATOM 839 CG1 ILE A 66 115.162 -3.883 5.809 1.00 0.00 C ATOM 840 CG2 ILE A 66 117.491 -2.999 6.120 1.00 0.00 C ATOM 841 CD1 ILE A 66 114.848 -3.862 7.289 1.00 0.00 C ATOM 0 H ILE A 66 114.087 -1.777 4.240 1.00 0.00 H new ATOM 0 HA ILE A 66 115.541 -1.240 6.715 1.00 0.00 H new ATOM 0 HB ILE A 66 116.358 -2.927 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 66 114.238 -3.742 5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 66 115.550 -4.866 5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 66 117.879 -3.999 5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 66 118.209 -2.258 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.331 -2.871 7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 66 114.126 -4.645 7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 66 115.762 -4.033 7.857 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.429 -2.892 7.558 1.00 0.00 H new ATOM 853 N PHE A 67 116.067 0.278 3.962 1.00 0.00 N ATOM 854 CA PHE A 67 116.846 1.291 3.275 1.00 0.00 C ATOM 855 C PHE A 67 117.115 2.482 4.183 1.00 0.00 C ATOM 856 O PHE A 67 118.261 2.878 4.388 1.00 0.00 O ATOM 857 CB PHE A 67 116.095 1.734 2.026 1.00 0.00 C ATOM 858 CG PHE A 67 116.970 1.867 0.813 1.00 0.00 C ATOM 859 CD1 PHE A 67 117.278 0.759 0.039 1.00 0.00 C ATOM 860 CD2 PHE A 67 117.490 3.099 0.449 1.00 0.00 C ATOM 861 CE1 PHE A 67 118.088 0.878 -1.074 1.00 0.00 C ATOM 862 CE2 PHE A 67 118.299 3.224 -0.665 1.00 0.00 C ATOM 863 CZ PHE A 67 118.599 2.111 -1.426 1.00 0.00 C ATOM 0 H PHE A 67 115.143 0.117 3.561 1.00 0.00 H new ATOM 0 HA PHE A 67 117.810 0.867 2.992 1.00 0.00 H new ATOM 0 HB2 PHE A 67 115.303 1.016 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 67 115.613 2.692 2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 67 116.880 -0.208 0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 67 117.261 3.972 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 67 118.321 0.007 -1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 67 118.696 4.190 -0.940 1.00 0.00 H new ATOM 0 HZ PHE A 67 119.233 2.205 -2.295 1.00 0.00 H new ATOM 873 N THR A 68 116.046 3.045 4.727 1.00 0.00 N ATOM 874 CA THR A 68 116.155 4.194 5.620 1.00 0.00 C ATOM 875 C THR A 68 116.751 3.785 6.962 1.00 0.00 C ATOM 876 O THR A 68 117.458 4.563 7.603 1.00 0.00 O ATOM 877 CB THR A 68 114.781 4.837 5.834 1.00 0.00 C ATOM 878 OG1 THR A 68 113.796 4.202 5.037 1.00 0.00 O ATOM 879 CG2 THR A 68 114.754 6.314 5.506 1.00 0.00 C ATOM 0 H THR A 68 115.091 2.726 4.566 1.00 0.00 H new ATOM 0 HA THR A 68 116.819 4.921 5.153 1.00 0.00 H new ATOM 0 HB THR A 68 114.568 4.712 6.896 1.00 0.00 H new ATOM 0 HG1 THR A 68 112.927 4.627 5.191 1.00 0.00 H new ATOM 0 HG21 THR A 68 113.752 6.707 5.679 1.00 0.00 H new ATOM 0 HG22 THR A 68 115.465 6.841 6.142 1.00 0.00 H new ATOM 0 HG23 THR A 68 115.025 6.459 4.460 1.00 0.00 H new ATOM 887 N ASP A 69 116.459 2.559 7.385 1.00 0.00 N ATOM 888 CA ASP A 69 116.964 2.048 8.654 1.00 0.00 C ATOM 889 C ASP A 69 118.486 2.097 8.691 1.00 0.00 C ATOM 890 O ASP A 69 119.087 2.269 9.752 1.00 0.00 O ATOM 891 CB ASP A 69 116.482 0.615 8.880 1.00 0.00 C ATOM 892 CG ASP A 69 115.093 0.561 9.485 1.00 0.00 C ATOM 893 OD1 ASP A 69 114.658 1.578 10.066 1.00 0.00 O ATOM 894 OD2 ASP A 69 114.439 -0.498 9.377 1.00 0.00 O ATOM 0 H ASP A 69 115.876 1.901 6.868 1.00 0.00 H new ATOM 0 HA ASP A 69 116.578 2.682 9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 69 116.483 0.080 7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 69 117.182 0.099 9.537 1.00 0.00 H new ATOM 899 N GLN A 70 119.102 1.953 7.526 1.00 0.00 N ATOM 900 CA GLN A 70 120.555 1.986 7.421 1.00 0.00 C ATOM 901 C GLN A 70 121.047 3.387 7.063 1.00 0.00 C ATOM 902 O GLN A 70 122.212 3.573 6.714 1.00 0.00 O ATOM 903 CB GLN A 70 121.037 0.978 6.375 1.00 0.00 C ATOM 904 CG GLN A 70 122.342 0.292 6.750 1.00 0.00 C ATOM 905 CD GLN A 70 122.125 -0.978 7.550 1.00 0.00 C ATOM 906 OE1 GLN A 70 122.010 -2.067 6.989 1.00 0.00 O ATOM 907 NE2 GLN A 70 122.071 -0.844 8.871 1.00 0.00 N ATOM 0 H GLN A 70 118.618 1.812 6.639 1.00 0.00 H new ATOM 0 HA GLN A 70 120.969 1.715 8.392 1.00 0.00 H new ATOM 0 HB2 GLN A 70 120.266 0.221 6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 70 121.166 1.490 5.421 1.00 0.00 H new ATOM 0 HG2 GLN A 70 122.897 0.055 5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 70 122.957 0.981 7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 70 122.171 0.078 9.295 1.00 0.00 H new ATOM 0 HE22 GLN A 70 121.929 -1.664 9.461 1.00 0.00 H new ATOM 916 N VAL A 71 120.154 4.371 7.151 1.00 0.00 N ATOM 917 CA VAL A 71 120.503 5.751 6.840 1.00 0.00 C ATOM 918 C VAL A 71 120.613 6.578 8.113 1.00 0.00 C ATOM 919 O VAL A 71 121.661 7.156 8.398 1.00 0.00 O ATOM 920 CB VAL A 71 119.459 6.390 5.903 1.00 0.00 C ATOM 921 CG1 VAL A 71 119.778 7.857 5.649 1.00 0.00 C ATOM 922 CG2 VAL A 71 119.380 5.624 4.591 1.00 0.00 C ATOM 0 H VAL A 71 119.184 4.236 7.435 1.00 0.00 H new ATOM 0 HA VAL A 71 121.469 5.739 6.335 1.00 0.00 H new ATOM 0 HB VAL A 71 118.487 6.337 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 71 119.026 8.283 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 71 119.776 8.399 6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 71 120.761 7.941 5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 71 118.638 6.089 3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 71 120.353 5.641 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 71 119.092 4.592 4.789 1.00 0.00 H new ATOM 932 N LEU A 72 119.534 6.621 8.883 1.00 0.00 N ATOM 933 CA LEU A 72 119.531 7.375 10.133 1.00 0.00 C ATOM 934 C LEU A 72 120.427 6.685 11.154 1.00 0.00 C ATOM 935 O LEU A 72 121.128 7.338 11.927 1.00 0.00 O ATOM 936 CB LEU A 72 118.108 7.535 10.702 1.00 0.00 C ATOM 937 CG LEU A 72 116.967 6.974 9.847 1.00 0.00 C ATOM 938 CD1 LEU A 72 115.650 7.024 10.610 1.00 0.00 C ATOM 939 CD2 LEU A 72 116.857 7.742 8.536 1.00 0.00 C ATOM 0 H LEU A 72 118.656 6.148 8.668 1.00 0.00 H new ATOM 0 HA LEU A 72 119.915 8.373 9.922 1.00 0.00 H new ATOM 0 HB2 LEU A 72 118.074 7.051 11.678 1.00 0.00 H new ATOM 0 HB3 LEU A 72 117.923 8.597 10.866 1.00 0.00 H new ATOM 0 HG LEU A 72 117.189 5.932 9.618 1.00 0.00 H new ATOM 0 HD11 LEU A 72 114.852 6.621 9.986 1.00 0.00 H new ATOM 0 HD12 LEU A 72 115.734 6.430 11.520 1.00 0.00 H new ATOM 0 HD13 LEU A 72 115.420 8.057 10.871 1.00 0.00 H new ATOM 0 HD21 LEU A 72 116.042 7.331 7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 72 116.659 8.793 8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 72 117.792 7.652 7.982 1.00 0.00 H new ATOM 951 N SER A 73 120.406 5.355 11.134 1.00 0.00 N ATOM 952 CA SER A 73 121.219 4.553 12.045 1.00 0.00 C ATOM 953 C SER A 73 122.683 4.551 11.623 1.00 0.00 C ATOM 954 O SER A 73 123.550 4.068 12.351 1.00 0.00 O ATOM 955 CB SER A 73 120.696 3.119 12.087 1.00 0.00 C ATOM 956 OG SER A 73 120.868 2.548 13.373 1.00 0.00 O ATOM 0 H SER A 73 119.832 4.807 10.493 1.00 0.00 H new ATOM 0 HA SER A 73 121.149 4.998 13.038 1.00 0.00 H new ATOM 0 HB2 SER A 73 119.640 3.106 11.819 1.00 0.00 H new ATOM 0 HB3 SER A 73 121.220 2.516 11.345 1.00 0.00 H new ATOM 0 HG SER A 73 120.523 1.631 13.372 1.00 0.00 H new ATOM 962 N VAL A 74 122.949 5.089 10.442 1.00 0.00 N ATOM 963 CA VAL A 74 124.303 5.154 9.916 1.00 0.00 C ATOM 964 C VAL A 74 124.751 6.598 9.741 1.00 0.00 C ATOM 965 O VAL A 74 125.945 6.877 9.634 1.00 0.00 O ATOM 966 CB VAL A 74 124.406 4.434 8.562 1.00 0.00 C ATOM 967 CG1 VAL A 74 125.827 4.501 8.019 1.00 0.00 C ATOM 968 CG2 VAL A 74 123.945 2.989 8.689 1.00 0.00 C ATOM 0 H VAL A 74 122.240 5.489 9.827 1.00 0.00 H new ATOM 0 HA VAL A 74 124.952 4.658 10.638 1.00 0.00 H new ATOM 0 HB VAL A 74 123.751 4.942 7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 74 125.875 3.985 7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 74 126.116 5.543 7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 74 126.508 4.023 8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 74 124.025 2.495 7.721 1.00 0.00 H new ATOM 0 HG22 VAL A 74 124.572 2.470 9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 74 122.908 2.966 9.023 1.00 0.00 H new ATOM 978 N LEU A 75 123.789 7.517 9.715 1.00 0.00 N ATOM 979 CA LEU A 75 124.106 8.932 9.557 1.00 0.00 C ATOM 980 C LEU A 75 124.111 9.617 10.914 1.00 0.00 C ATOM 981 O LEU A 75 124.941 10.484 11.185 1.00 0.00 O ATOM 982 CB LEU A 75 123.102 9.610 8.617 1.00 0.00 C ATOM 983 CG LEU A 75 121.764 9.989 9.251 1.00 0.00 C ATOM 984 CD1 LEU A 75 121.848 11.367 9.891 1.00 0.00 C ATOM 985 CD2 LEU A 75 120.651 9.949 8.214 1.00 0.00 C ATOM 0 H LEU A 75 122.794 7.310 9.800 1.00 0.00 H new ATOM 0 HA LEU A 75 125.098 9.020 9.114 1.00 0.00 H new ATOM 0 HB2 LEU A 75 123.561 10.512 8.212 1.00 0.00 H new ATOM 0 HB3 LEU A 75 122.911 8.944 7.776 1.00 0.00 H new ATOM 0 HG LEU A 75 121.534 9.262 10.030 1.00 0.00 H new ATOM 0 HD11 LEU A 75 120.886 11.620 10.337 1.00 0.00 H new ATOM 0 HD12 LEU A 75 122.617 11.363 10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 75 122.101 12.106 9.131 1.00 0.00 H new ATOM 0 HD21 LEU A 75 119.706 10.222 8.684 1.00 0.00 H new ATOM 0 HD22 LEU A 75 120.875 10.654 7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 75 120.574 8.943 7.801 1.00 0.00 H new ATOM 997 N LYS A 76 123.179 9.208 11.765 1.00 0.00 N ATOM 998 CA LYS A 76 123.063 9.757 13.101 1.00 0.00 C ATOM 999 C LYS A 76 123.344 8.681 14.142 1.00 0.00 C ATOM 1000 O LYS A 76 123.411 8.961 15.340 1.00 0.00 O ATOM 1001 CB LYS A 76 121.657 10.309 13.294 1.00 0.00 C ATOM 1002 CG LYS A 76 121.585 11.828 13.268 1.00 0.00 C ATOM 1003 CD LYS A 76 121.839 12.421 14.644 1.00 0.00 C ATOM 1004 CE LYS A 76 121.686 13.933 14.631 1.00 0.00 C ATOM 1005 NZ LYS A 76 122.752 14.592 13.827 1.00 0.00 N ATOM 0 H LYS A 76 122.488 8.490 11.546 1.00 0.00 H new ATOM 0 HA LYS A 76 123.793 10.557 13.225 1.00 0.00 H new ATOM 0 HB2 LYS A 76 121.010 9.910 12.513 1.00 0.00 H new ATOM 0 HB3 LYS A 76 121.264 9.952 14.246 1.00 0.00 H new ATOM 0 HG2 LYS A 76 122.319 12.216 12.562 1.00 0.00 H new ATOM 0 HG3 LYS A 76 120.604 12.141 12.911 1.00 0.00 H new ATOM 0 HD2 LYS A 76 121.142 11.989 15.363 1.00 0.00 H new ATOM 0 HD3 LYS A 76 122.843 12.158 14.976 1.00 0.00 H new ATOM 0 HE2 LYS A 76 120.710 14.196 14.224 1.00 0.00 H new ATOM 0 HE3 LYS A 76 121.717 14.310 15.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 122.684 15.624 13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 123.684 14.269 14.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 122.633 14.344 12.824 1.00 0.00 H new ATOM 1019 N GLY A 77 123.487 7.439 13.679 1.00 0.00 N ATOM 1020 CA GLY A 77 123.733 6.340 14.584 1.00 0.00 C ATOM 1021 C GLY A 77 122.562 6.131 15.511 1.00 0.00 C ATOM 1022 O GLY A 77 122.738 5.810 16.686 1.00 0.00 O ATOM 0 H GLY A 77 123.436 7.181 12.694 1.00 0.00 H new ATOM 0 HA2 GLY A 77 123.917 5.429 14.014 1.00 0.00 H new ATOM 0 HA3 GLY A 77 124.632 6.539 15.167 1.00 0.00 H new ATOM 1026 N GLU A 78 121.357 6.344 14.987 1.00 0.00 N ATOM 1027 CA GLU A 78 120.151 6.201 15.804 1.00 0.00 C ATOM 1028 C GLU A 78 119.016 5.483 15.072 1.00 0.00 C ATOM 1029 O GLU A 78 118.188 4.829 15.705 1.00 0.00 O ATOM 1030 CB GLU A 78 119.673 7.577 16.270 1.00 0.00 C ATOM 1031 CG GLU A 78 120.119 7.928 17.680 1.00 0.00 C ATOM 1032 CD GLU A 78 119.306 7.216 18.744 1.00 0.00 C ATOM 1033 OE1 GLU A 78 118.926 6.048 18.518 1.00 0.00 O ATOM 1034 OE2 GLU A 78 119.049 7.826 19.802 1.00 0.00 O ATOM 0 H GLU A 78 121.189 6.612 14.017 1.00 0.00 H new ATOM 0 HA GLU A 78 120.421 5.583 16.661 1.00 0.00 H new ATOM 0 HB2 GLU A 78 120.045 8.335 15.580 1.00 0.00 H new ATOM 0 HB3 GLU A 78 118.585 7.610 16.223 1.00 0.00 H new ATOM 0 HG2 GLU A 78 121.171 7.670 17.799 1.00 0.00 H new ATOM 0 HG3 GLU A 78 120.037 9.005 17.825 1.00 0.00 H new ATOM 1041 N GLU A 79 118.963 5.618 13.751 1.00 0.00 N ATOM 1042 CA GLU A 79 117.903 4.985 12.968 1.00 0.00 C ATOM 1043 C GLU A 79 116.584 5.726 13.156 1.00 0.00 C ATOM 1044 O GLU A 79 115.520 5.094 12.981 1.00 0.00 O ATOM 1045 CB GLU A 79 117.732 3.516 13.365 1.00 0.00 C ATOM 1046 CG GLU A 79 117.053 2.674 12.296 1.00 0.00 C ATOM 1047 CD GLU A 79 116.079 1.669 12.877 1.00 0.00 C ATOM 1048 OE1 GLU A 79 116.529 0.749 13.591 1.00 0.00 O ATOM 1049 OE2 GLU A 79 114.863 1.802 12.618 1.00 0.00 O ATOM 0 H GLU A 79 119.635 6.155 13.202 1.00 0.00 H new ATOM 0 HA GLU A 79 118.191 5.031 11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 79 118.711 3.091 13.584 1.00 0.00 H new ATOM 0 HB3 GLU A 79 117.148 3.462 14.284 1.00 0.00 H new ATOM 0 HG2 GLU A 79 116.524 3.329 11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 79 117.812 2.147 11.718 1.00 0.00 H new TER 1056 GLU A 79