USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 525 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 63 TYR OH : rot 180:sc= 0.0735 USER MOD Set 1.2: A 70 GLN : amide:sc= -1.65 K(o=-1.6,f=-5.2!) USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 57 THR OG1 : rot 180:sc=-0.00797 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 31 THR OG1 : rot -18:sc= 0.469 USER MOD Single : A 13 THR OG1 : rot -16:sc= 0.752 USER MOD Single : A 16 THR OG1 : rot -160:sc= -0.0839 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= -1.02 USER MOD Single : A 24 SER OG : rot 64:sc= 1.19 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0921) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -122:sc= -0.0191 (180deg=-0.136) USER MOD Single : A 53 TYR OH : rot -175:sc= -0.819 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 95:sc= -1.05 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 68 THR OG1 : rot 85:sc= 1.11 USER MOD Single : A 73 SER OG : rot 87:sc= 0.215 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 98.106 -21.463 -1.079 1.00 0.00 N ATOM 2 CA THR A 13 99.013 -20.323 -0.785 1.00 0.00 C ATOM 3 C THR A 13 99.547 -20.394 0.642 1.00 0.00 C ATOM 4 O THR A 13 100.678 -20.823 0.870 1.00 0.00 O ATOM 5 CB THR A 13 98.244 -19.018 -1.004 1.00 0.00 C ATOM 6 OG1 THR A 13 96.862 -19.202 -0.748 1.00 0.00 O ATOM 7 CG2 THR A 13 98.381 -18.471 -2.408 1.00 0.00 C ATOM 0 HA THR A 13 99.872 -20.367 -1.455 1.00 0.00 H new ATOM 0 HB THR A 13 98.684 -18.303 -0.308 1.00 0.00 H new ATOM 0 HG1 THR A 13 96.657 -20.160 -0.733 1.00 0.00 H new ATOM 0 HG21 THR A 13 97.812 -17.546 -2.495 1.00 0.00 H new ATOM 0 HG22 THR A 13 99.432 -18.272 -2.620 1.00 0.00 H new ATOM 0 HG23 THR A 13 97.999 -19.201 -3.122 1.00 0.00 H new ATOM 15 N PHE A 14 98.725 -19.961 1.597 1.00 0.00 N ATOM 16 CA PHE A 14 99.098 -19.960 3.014 1.00 0.00 C ATOM 17 C PHE A 14 99.927 -18.728 3.357 1.00 0.00 C ATOM 18 O PHE A 14 99.695 -18.076 4.374 1.00 0.00 O ATOM 19 CB PHE A 14 99.866 -21.234 3.382 1.00 0.00 C ATOM 20 CG PHE A 14 99.399 -21.867 4.663 1.00 0.00 C ATOM 21 CD1 PHE A 14 98.215 -22.585 4.704 1.00 0.00 C ATOM 22 CD2 PHE A 14 100.145 -21.743 5.824 1.00 0.00 C ATOM 23 CE1 PHE A 14 97.783 -23.168 5.880 1.00 0.00 C ATOM 24 CE2 PHE A 14 99.718 -22.324 7.003 1.00 0.00 C ATOM 25 CZ PHE A 14 98.536 -23.038 7.031 1.00 0.00 C ATOM 0 H PHE A 14 97.788 -19.603 1.414 1.00 0.00 H new ATOM 0 HA PHE A 14 98.178 -19.932 3.598 1.00 0.00 H new ATOM 0 HB2 PHE A 14 99.766 -21.956 2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 14 100.926 -20.997 3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 14 97.623 -22.690 3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 14 101.070 -21.186 5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 14 96.858 -23.725 5.899 1.00 0.00 H new ATOM 0 HE2 PHE A 14 100.308 -22.220 7.902 1.00 0.00 H new ATOM 0 HZ PHE A 14 98.201 -23.494 7.951 1.00 0.00 H new ATOM 35 N LEU A 15 100.888 -18.407 2.498 1.00 0.00 N ATOM 36 CA LEU A 15 101.742 -17.247 2.708 1.00 0.00 C ATOM 37 C LEU A 15 101.027 -15.976 2.266 1.00 0.00 C ATOM 38 O LEU A 15 101.241 -14.901 2.828 1.00 0.00 O ATOM 39 CB LEU A 15 103.056 -17.404 1.941 1.00 0.00 C ATOM 40 CG LEU A 15 102.923 -17.383 0.417 1.00 0.00 C ATOM 41 CD1 LEU A 15 102.953 -15.953 -0.101 1.00 0.00 C ATOM 42 CD2 LEU A 15 104.028 -18.208 -0.225 1.00 0.00 C ATOM 0 H LEU A 15 101.094 -18.935 1.650 1.00 0.00 H new ATOM 0 HA LEU A 15 101.966 -17.173 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 15 103.733 -16.604 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.522 -18.344 2.237 1.00 0.00 H new ATOM 0 HG LEU A 15 101.964 -17.825 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 15 102.857 -15.957 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 15 102.127 -15.391 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.897 -15.485 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.918 -18.182 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.998 -17.795 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 15 103.961 -19.239 0.122 1.00 0.00 H new ATOM 54 N THR A 16 100.172 -16.110 1.256 1.00 0.00 N ATOM 55 CA THR A 16 99.417 -14.976 0.739 1.00 0.00 C ATOM 56 C THR A 16 98.342 -14.549 1.728 1.00 0.00 C ATOM 57 O THR A 16 97.970 -13.377 1.784 1.00 0.00 O ATOM 58 CB THR A 16 98.781 -15.328 -0.607 1.00 0.00 C ATOM 59 OG1 THR A 16 99.726 -15.945 -1.462 1.00 0.00 O ATOM 60 CG2 THR A 16 98.218 -14.127 -1.334 1.00 0.00 C ATOM 0 H THR A 16 99.986 -16.993 0.780 1.00 0.00 H new ATOM 0 HA THR A 16 100.107 -14.144 0.596 1.00 0.00 H new ATOM 0 HB THR A 16 97.961 -16.006 -0.371 1.00 0.00 H new ATOM 0 HG1 THR A 16 99.421 -15.876 -2.391 1.00 0.00 H new ATOM 0 HG21 THR A 16 97.782 -14.446 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 16 97.449 -13.658 -0.720 1.00 0.00 H new ATOM 0 HG23 THR A 16 99.017 -13.410 -1.526 1.00 0.00 H new ATOM 68 N GLN A 17 97.849 -15.500 2.516 1.00 0.00 N ATOM 69 CA GLN A 17 96.823 -15.202 3.504 1.00 0.00 C ATOM 70 C GLN A 17 97.358 -14.207 4.530 1.00 0.00 C ATOM 71 O GLN A 17 96.746 -13.168 4.780 1.00 0.00 O ATOM 72 CB GLN A 17 96.338 -16.494 4.183 1.00 0.00 C ATOM 73 CG GLN A 17 96.881 -16.711 5.588 1.00 0.00 C ATOM 74 CD GLN A 17 96.098 -17.753 6.363 1.00 0.00 C ATOM 75 OE1 GLN A 17 96.251 -18.954 6.140 1.00 0.00 O ATOM 76 NE2 GLN A 17 95.251 -17.297 7.278 1.00 0.00 N ATOM 0 H GLN A 17 98.142 -16.477 2.489 1.00 0.00 H new ATOM 0 HA GLN A 17 95.968 -14.748 3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 17 95.249 -16.480 4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 17 96.621 -17.344 3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 17 97.925 -17.018 5.526 1.00 0.00 H new ATOM 0 HG3 GLN A 17 96.858 -15.767 6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 17 95.156 -16.293 7.430 1.00 0.00 H new ATOM 0 HE22 GLN A 17 94.695 -17.951 7.829 1.00 0.00 H new ATOM 85 N VAL A 18 98.510 -14.528 5.117 1.00 0.00 N ATOM 86 CA VAL A 18 99.124 -13.650 6.106 1.00 0.00 C ATOM 87 C VAL A 18 99.466 -12.321 5.462 1.00 0.00 C ATOM 88 O VAL A 18 99.358 -11.268 6.087 1.00 0.00 O ATOM 89 CB VAL A 18 100.407 -14.246 6.721 1.00 0.00 C ATOM 90 CG1 VAL A 18 100.655 -13.656 8.100 1.00 0.00 C ATOM 91 CG2 VAL A 18 100.331 -15.766 6.792 1.00 0.00 C ATOM 0 H VAL A 18 99.032 -15.383 4.926 1.00 0.00 H new ATOM 0 HA VAL A 18 98.398 -13.522 6.909 1.00 0.00 H new ATOM 0 HB VAL A 18 101.245 -13.986 6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 18 101.564 -14.086 8.522 1.00 0.00 H new ATOM 0 HG12 VAL A 18 100.769 -12.575 8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 18 99.810 -13.883 8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 18 101.250 -16.156 7.230 1.00 0.00 H new ATOM 0 HG22 VAL A 18 99.482 -16.059 7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 18 100.207 -16.171 5.788 1.00 0.00 H new ATOM 101 N LYS A 19 99.858 -12.376 4.192 1.00 0.00 N ATOM 102 CA LYS A 19 100.193 -11.172 3.451 1.00 0.00 C ATOM 103 C LYS A 19 99.026 -10.195 3.498 1.00 0.00 C ATOM 104 O LYS A 19 99.209 -8.984 3.389 1.00 0.00 O ATOM 105 CB LYS A 19 100.542 -11.511 2.000 1.00 0.00 C ATOM 106 CG LYS A 19 101.654 -10.648 1.426 1.00 0.00 C ATOM 107 CD LYS A 19 101.388 -10.289 -0.027 1.00 0.00 C ATOM 108 CE LYS A 19 102.042 -8.970 -0.404 1.00 0.00 C ATOM 109 NZ LYS A 19 101.179 -8.159 -1.308 1.00 0.00 N ATOM 0 H LYS A 19 99.950 -13.241 3.659 1.00 0.00 H new ATOM 0 HA LYS A 19 101.065 -10.709 3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 19 100.839 -12.558 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 19 99.650 -11.397 1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 19 101.749 -9.736 2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 19 102.603 -11.178 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 19 101.765 -11.081 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 19 100.313 -10.225 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 19 102.257 -8.400 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 19 102.997 -9.165 -0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 101.662 -7.268 -1.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.994 -8.692 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 100.278 -7.951 -0.833 1.00 0.00 H new ATOM 123 N GLU A 20 97.822 -10.735 3.684 1.00 0.00 N ATOM 124 CA GLU A 20 96.628 -9.906 3.771 1.00 0.00 C ATOM 125 C GLU A 20 96.554 -9.238 5.140 1.00 0.00 C ATOM 126 O GLU A 20 95.939 -8.184 5.299 1.00 0.00 O ATOM 127 CB GLU A 20 95.373 -10.745 3.531 1.00 0.00 C ATOM 128 CG GLU A 20 95.348 -11.428 2.173 1.00 0.00 C ATOM 129 CD GLU A 20 93.997 -12.035 1.851 1.00 0.00 C ATOM 130 OE1 GLU A 20 92.997 -11.621 2.473 1.00 0.00 O ATOM 131 OE2 GLU A 20 93.939 -12.924 0.976 1.00 0.00 O ATOM 0 H GLU A 20 97.651 -11.736 3.776 1.00 0.00 H new ATOM 0 HA GLU A 20 96.684 -9.137 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 20 95.298 -11.503 4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 20 94.495 -10.105 3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 20 95.610 -10.704 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 20 96.108 -12.209 2.149 1.00 0.00 H new ATOM 138 N SER A 21 97.192 -9.864 6.127 1.00 0.00 N ATOM 139 CA SER A 21 97.210 -9.345 7.485 1.00 0.00 C ATOM 140 C SER A 21 98.473 -8.530 7.738 1.00 0.00 C ATOM 141 O SER A 21 98.401 -7.371 8.150 1.00 0.00 O ATOM 142 CB SER A 21 97.139 -10.495 8.481 1.00 0.00 C ATOM 143 OG SER A 21 95.960 -10.424 9.264 1.00 0.00 O ATOM 0 H SER A 21 97.705 -10.737 6.006 1.00 0.00 H new ATOM 0 HA SER A 21 96.344 -8.695 7.613 1.00 0.00 H new ATOM 0 HB2 SER A 21 97.167 -11.445 7.946 1.00 0.00 H new ATOM 0 HB3 SER A 21 98.013 -10.470 9.132 1.00 0.00 H new ATOM 0 HG SER A 21 95.940 -11.175 9.893 1.00 0.00 H new ATOM 149 N LEU A 22 99.634 -9.136 7.486 1.00 0.00 N ATOM 150 CA LEU A 22 100.902 -8.446 7.686 1.00 0.00 C ATOM 151 C LEU A 22 100.984 -7.215 6.790 1.00 0.00 C ATOM 152 O LEU A 22 101.778 -6.307 7.034 1.00 0.00 O ATOM 153 CB LEU A 22 102.073 -9.386 7.398 1.00 0.00 C ATOM 154 CG LEU A 22 102.217 -9.805 5.935 1.00 0.00 C ATOM 155 CD1 LEU A 22 103.276 -8.963 5.238 1.00 0.00 C ATOM 156 CD2 LEU A 22 102.557 -11.285 5.832 1.00 0.00 C ATOM 0 H LEU A 22 99.719 -10.094 7.146 1.00 0.00 H new ATOM 0 HA LEU A 22 100.959 -8.126 8.726 1.00 0.00 H new ATOM 0 HB2 LEU A 22 102.996 -8.900 7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 22 101.959 -10.282 8.008 1.00 0.00 H new ATOM 0 HG LEU A 22 101.263 -9.637 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 22 103.364 -9.277 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 22 102.989 -7.912 5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 22 104.235 -9.096 5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 22 102.655 -11.564 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 22 103.497 -11.479 6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 22 101.763 -11.874 6.291 1.00 0.00 H new ATOM 168 N SER A 23 100.150 -7.193 5.755 1.00 0.00 N ATOM 169 CA SER A 23 100.116 -6.076 4.822 1.00 0.00 C ATOM 170 C SER A 23 98.751 -5.391 4.833 1.00 0.00 C ATOM 171 O SER A 23 98.505 -4.473 4.051 1.00 0.00 O ATOM 172 CB SER A 23 100.446 -6.555 3.407 1.00 0.00 C ATOM 173 OG SER A 23 101.217 -5.593 2.708 1.00 0.00 O ATOM 0 H SER A 23 99.488 -7.939 5.542 1.00 0.00 H new ATOM 0 HA SER A 23 100.866 -5.352 5.139 1.00 0.00 H new ATOM 0 HB2 SER A 23 100.993 -7.497 3.457 1.00 0.00 H new ATOM 0 HB3 SER A 23 99.523 -6.751 2.862 1.00 0.00 H new ATOM 0 HG SER A 23 101.415 -5.924 1.807 1.00 0.00 H new ATOM 179 N SER A 24 97.860 -5.834 5.723 1.00 0.00 N ATOM 180 CA SER A 24 96.528 -5.246 5.816 1.00 0.00 C ATOM 181 C SER A 24 96.604 -3.753 6.121 1.00 0.00 C ATOM 182 O SER A 24 95.672 -3.003 5.831 1.00 0.00 O ATOM 183 CB SER A 24 95.701 -5.961 6.887 1.00 0.00 C ATOM 184 OG SER A 24 94.489 -6.460 6.348 1.00 0.00 O ATOM 0 H SER A 24 98.037 -6.591 6.383 1.00 0.00 H new ATOM 0 HA SER A 24 96.040 -5.371 4.850 1.00 0.00 H new ATOM 0 HB2 SER A 24 96.280 -6.782 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 24 95.483 -5.272 7.703 1.00 0.00 H new ATOM 0 HG SER A 24 94.687 -7.144 5.675 1.00 0.00 H new ATOM 190 N TYR A 25 97.725 -3.326 6.689 1.00 0.00 N ATOM 191 CA TYR A 25 97.928 -1.920 7.012 1.00 0.00 C ATOM 192 C TYR A 25 98.758 -1.251 5.925 1.00 0.00 C ATOM 193 O TYR A 25 98.826 -0.024 5.843 1.00 0.00 O ATOM 194 CB TYR A 25 98.612 -1.773 8.373 1.00 0.00 C ATOM 195 CG TYR A 25 97.980 -0.723 9.258 1.00 0.00 C ATOM 196 CD1 TYR A 25 98.182 0.630 9.018 1.00 0.00 C ATOM 197 CD2 TYR A 25 97.180 -1.085 10.336 1.00 0.00 C ATOM 198 CE1 TYR A 25 97.606 1.592 9.826 1.00 0.00 C ATOM 199 CE2 TYR A 25 96.599 -0.129 11.148 1.00 0.00 C ATOM 200 CZ TYR A 25 96.816 1.208 10.889 1.00 0.00 C ATOM 201 OH TYR A 25 96.241 2.163 11.695 1.00 0.00 O ATOM 0 H TYR A 25 98.507 -3.933 6.935 1.00 0.00 H new ATOM 0 HA TYR A 25 96.956 -1.430 7.065 1.00 0.00 H new ATOM 0 HB2 TYR A 25 98.587 -2.733 8.888 1.00 0.00 H new ATOM 0 HB3 TYR A 25 99.661 -1.522 8.218 1.00 0.00 H new ATOM 0 HD1 TYR A 25 98.799 0.935 8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 25 97.010 -2.131 10.543 1.00 0.00 H new ATOM 0 HE1 TYR A 25 97.774 2.640 9.626 1.00 0.00 H new ATOM 0 HE2 TYR A 25 95.979 -0.427 11.980 1.00 0.00 H new ATOM 0 HH TYR A 25 95.715 1.725 12.396 1.00 0.00 H new ATOM 211 N TRP A 26 99.366 -2.072 5.076 1.00 0.00 N ATOM 212 CA TRP A 26 100.166 -1.575 3.971 1.00 0.00 C ATOM 213 C TRP A 26 99.287 -1.436 2.738 1.00 0.00 C ATOM 214 O TRP A 26 99.556 -0.626 1.851 1.00 0.00 O ATOM 215 CB TRP A 26 101.336 -2.517 3.685 1.00 0.00 C ATOM 216 CG TRP A 26 102.212 -2.056 2.559 1.00 0.00 C ATOM 217 CD1 TRP A 26 101.871 -1.967 1.240 1.00 0.00 C ATOM 218 CD2 TRP A 26 103.573 -1.622 2.654 1.00 0.00 C ATOM 219 NE1 TRP A 26 102.938 -1.505 0.509 1.00 0.00 N ATOM 220 CE2 TRP A 26 103.994 -1.285 1.353 1.00 0.00 C ATOM 221 CE3 TRP A 26 104.477 -1.486 3.711 1.00 0.00 C ATOM 222 CZ2 TRP A 26 105.279 -0.820 1.083 1.00 0.00 C ATOM 223 CZ3 TRP A 26 105.752 -1.024 3.442 1.00 0.00 C ATOM 224 CH2 TRP A 26 106.142 -0.696 2.137 1.00 0.00 C ATOM 0 H TRP A 26 99.317 -3.089 5.136 1.00 0.00 H new ATOM 0 HA TRP A 26 100.575 -0.600 4.237 1.00 0.00 H new ATOM 0 HB2 TRP A 26 101.940 -2.618 4.587 1.00 0.00 H new ATOM 0 HB3 TRP A 26 100.946 -3.507 3.450 1.00 0.00 H new ATOM 0 HD1 TRP A 26 100.904 -2.222 0.832 1.00 0.00 H new ATOM 0 HE1 TRP A 26 102.943 -1.351 -0.499 1.00 0.00 H new ATOM 0 HE3 TRP A 26 104.185 -1.737 4.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 105.583 -0.567 0.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 106.459 -0.914 4.251 1.00 0.00 H new ATOM 0 HH2 TRP A 26 107.145 -0.338 1.959 1.00 0.00 H new ATOM 235 N GLU A 27 98.217 -2.228 2.704 1.00 0.00 N ATOM 236 CA GLU A 27 97.274 -2.192 1.597 1.00 0.00 C ATOM 237 C GLU A 27 96.270 -1.062 1.791 1.00 0.00 C ATOM 238 O GLU A 27 95.681 -0.568 0.830 1.00 0.00 O ATOM 239 CB GLU A 27 96.545 -3.530 1.471 1.00 0.00 C ATOM 240 CG GLU A 27 95.597 -3.597 0.283 1.00 0.00 C ATOM 241 CD GLU A 27 96.304 -3.970 -1.006 1.00 0.00 C ATOM 242 OE1 GLU A 27 96.961 -3.089 -1.600 1.00 0.00 O ATOM 243 OE2 GLU A 27 96.203 -5.144 -1.420 1.00 0.00 O ATOM 0 H GLU A 27 97.985 -2.902 3.433 1.00 0.00 H new ATOM 0 HA GLU A 27 97.830 -2.011 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 27 97.281 -4.329 1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 27 95.982 -3.715 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 27 94.814 -4.327 0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 27 95.107 -2.631 0.158 1.00 0.00 H new ATOM 250 N SER A 28 96.088 -0.650 3.042 1.00 0.00 N ATOM 251 CA SER A 28 95.166 0.430 3.364 1.00 0.00 C ATOM 252 C SER A 28 95.785 1.771 3.018 1.00 0.00 C ATOM 253 O SER A 28 95.160 2.614 2.378 1.00 0.00 O ATOM 254 CB SER A 28 94.802 0.387 4.845 1.00 0.00 C ATOM 255 OG SER A 28 93.563 1.029 5.089 1.00 0.00 O ATOM 0 H SER A 28 96.568 -1.049 3.849 1.00 0.00 H new ATOM 0 HA SER A 28 94.258 0.301 2.774 1.00 0.00 H new ATOM 0 HB2 SER A 28 94.749 -0.649 5.179 1.00 0.00 H new ATOM 0 HB3 SER A 28 95.586 0.870 5.429 1.00 0.00 H new ATOM 0 HG SER A 28 93.354 0.985 6.046 1.00 0.00 H new ATOM 261 N ALA A 29 97.030 1.953 3.433 1.00 0.00 N ATOM 262 CA ALA A 29 97.751 3.188 3.152 1.00 0.00 C ATOM 263 C ALA A 29 97.651 3.531 1.670 1.00 0.00 C ATOM 264 O ALA A 29 97.692 4.699 1.283 1.00 0.00 O ATOM 265 CB ALA A 29 99.206 3.063 3.575 1.00 0.00 C ATOM 0 H ALA A 29 97.562 1.264 3.964 1.00 0.00 H new ATOM 0 HA ALA A 29 97.296 3.995 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 29 99.729 3.994 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 29 99.258 2.859 4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 29 99.676 2.247 3.026 1.00 0.00 H new ATOM 271 N LYS A 30 97.504 2.496 0.847 1.00 0.00 N ATOM 272 CA LYS A 30 97.381 2.672 -0.593 1.00 0.00 C ATOM 273 C LYS A 30 95.927 2.928 -0.979 1.00 0.00 C ATOM 274 O LYS A 30 95.649 3.617 -1.959 1.00 0.00 O ATOM 275 CB LYS A 30 97.907 1.438 -1.326 1.00 0.00 C ATOM 276 CG LYS A 30 98.477 1.745 -2.702 1.00 0.00 C ATOM 277 CD LYS A 30 99.739 2.585 -2.606 1.00 0.00 C ATOM 278 CE LYS A 30 100.706 2.268 -3.736 1.00 0.00 C ATOM 279 NZ LYS A 30 100.597 3.247 -4.852 1.00 0.00 N ATOM 0 H LYS A 30 97.467 1.525 1.156 1.00 0.00 H new ATOM 0 HA LYS A 30 97.977 3.537 -0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.680 0.967 -0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.098 0.715 -1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 30 98.698 0.813 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.731 2.273 -3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.477 3.643 -2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 30 100.226 2.404 -1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 30 101.726 2.268 -3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 30 100.507 1.265 -4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 101.273 2.995 -5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 99.631 3.229 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.811 4.201 -4.499 1.00 0.00 H new ATOM 293 N THR A 31 95.000 2.372 -0.200 1.00 0.00 N ATOM 294 CA THR A 31 93.577 2.550 -0.469 1.00 0.00 C ATOM 295 C THR A 31 93.150 3.988 -0.196 1.00 0.00 C ATOM 296 O THR A 31 92.225 4.502 -0.826 1.00 0.00 O ATOM 297 CB THR A 31 92.744 1.587 0.380 1.00 0.00 C ATOM 298 OG1 THR A 31 92.894 1.873 1.759 1.00 0.00 O ATOM 299 CG2 THR A 31 93.112 0.133 0.171 1.00 0.00 C ATOM 0 H THR A 31 95.209 1.798 0.617 1.00 0.00 H new ATOM 0 HA THR A 31 93.404 2.330 -1.522 1.00 0.00 H new ATOM 0 HB THR A 31 91.714 1.736 0.056 1.00 0.00 H new ATOM 0 HG1 THR A 31 93.696 2.420 1.894 1.00 0.00 H new ATOM 0 HG21 THR A 31 92.484 -0.496 0.802 1.00 0.00 H new ATOM 0 HG22 THR A 31 92.958 -0.135 -0.874 1.00 0.00 H new ATOM 0 HG23 THR A 31 94.159 -0.019 0.434 1.00 0.00 H new ATOM 307 N ALA A 32 93.833 4.638 0.744 1.00 0.00 N ATOM 308 CA ALA A 32 93.524 6.020 1.094 1.00 0.00 C ATOM 309 C ALA A 32 94.557 6.985 0.517 1.00 0.00 C ATOM 310 O ALA A 32 94.552 8.174 0.838 1.00 0.00 O ATOM 311 CB ALA A 32 93.441 6.174 2.606 1.00 0.00 C ATOM 0 H ALA A 32 94.602 4.230 1.275 1.00 0.00 H new ATOM 0 HA ALA A 32 92.556 6.269 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 32 93.210 7.210 2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 32 92.657 5.524 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 32 94.396 5.898 3.053 1.00 0.00 H new ATOM 317 N ALA A 33 95.437 6.473 -0.340 1.00 0.00 N ATOM 318 CA ALA A 33 96.463 7.299 -0.960 1.00 0.00 C ATOM 319 C ALA A 33 95.965 7.875 -2.279 1.00 0.00 C ATOM 320 O ALA A 33 96.023 9.085 -2.501 1.00 0.00 O ATOM 321 CB ALA A 33 97.734 6.491 -1.179 1.00 0.00 C ATOM 0 H ALA A 33 95.458 5.492 -0.619 1.00 0.00 H new ATOM 0 HA ALA A 33 96.689 8.127 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 33 98.491 7.123 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 33 98.103 6.127 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 33 97.519 5.644 -1.831 1.00 0.00 H new ATOM 327 N GLN A 34 95.469 7.002 -3.150 1.00 0.00 N ATOM 328 CA GLN A 34 94.952 7.427 -4.445 1.00 0.00 C ATOM 329 C GLN A 34 93.824 8.440 -4.275 1.00 0.00 C ATOM 330 O GLN A 34 93.536 9.221 -5.182 1.00 0.00 O ATOM 331 CB GLN A 34 94.453 6.219 -5.242 1.00 0.00 C ATOM 332 CG GLN A 34 94.693 6.336 -6.738 1.00 0.00 C ATOM 333 CD GLN A 34 95.833 5.459 -7.217 1.00 0.00 C ATOM 334 OE1 GLN A 34 97.005 5.790 -7.038 1.00 0.00 O ATOM 335 NE2 GLN A 34 95.494 4.330 -7.830 1.00 0.00 N ATOM 0 H GLN A 34 95.414 5.997 -2.982 1.00 0.00 H new ATOM 0 HA GLN A 34 95.765 7.904 -4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 34 94.948 5.321 -4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 34 93.385 6.092 -5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 34 93.782 6.064 -7.271 1.00 0.00 H new ATOM 0 HG3 GLN A 34 94.909 7.375 -6.987 1.00 0.00 H new ATOM 0 HE21 GLN A 34 94.510 4.094 -7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 34 96.218 3.699 -8.173 1.00 0.00 H new ATOM 344 N ASN A 35 93.195 8.424 -3.105 1.00 0.00 N ATOM 345 CA ASN A 35 92.105 9.342 -2.810 1.00 0.00 C ATOM 346 C ASN A 35 92.641 10.743 -2.544 1.00 0.00 C ATOM 347 O ASN A 35 92.353 11.682 -3.286 1.00 0.00 O ATOM 348 CB ASN A 35 91.320 8.851 -1.595 1.00 0.00 C ATOM 349 CG ASN A 35 89.878 9.320 -1.608 1.00 0.00 C ATOM 350 OD1 ASN A 35 88.953 8.520 -1.748 1.00 0.00 O ATOM 351 ND2 ASN A 35 89.679 10.625 -1.461 1.00 0.00 N ATOM 0 H ASN A 35 93.423 7.783 -2.345 1.00 0.00 H new ATOM 0 HA ASN A 35 91.443 9.379 -3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 35 91.344 7.762 -1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 35 91.806 9.204 -0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 35 88.730 10.999 -1.461 1.00 0.00 H new ATOM 0 HD22 ASN A 35 90.475 11.253 -1.348 1.00 0.00 H new ATOM 358 N LEU A 36 93.421 10.873 -1.478 1.00 0.00 N ATOM 359 CA LEU A 36 94.003 12.158 -1.107 1.00 0.00 C ATOM 360 C LEU A 36 94.882 12.704 -2.228 1.00 0.00 C ATOM 361 O LEU A 36 94.923 13.912 -2.464 1.00 0.00 O ATOM 362 CB LEU A 36 94.817 12.024 0.183 1.00 0.00 C ATOM 363 CG LEU A 36 96.117 11.228 0.051 1.00 0.00 C ATOM 364 CD1 LEU A 36 97.286 12.162 -0.218 1.00 0.00 C ATOM 365 CD2 LEU A 36 96.368 10.406 1.307 1.00 0.00 C ATOM 0 H LEU A 36 93.666 10.104 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 36 93.187 12.861 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 36 95.056 13.023 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 36 94.193 11.548 0.940 1.00 0.00 H new ATOM 0 HG LEU A 36 96.020 10.545 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 36 98.203 11.580 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 36 97.109 12.709 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 36 97.385 12.868 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 36 97.297 9.846 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 36 96.446 11.071 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 36 95.542 9.712 1.459 1.00 0.00 H new ATOM 377 N TYR A 37 95.581 11.809 -2.918 1.00 0.00 N ATOM 378 CA TYR A 37 96.456 12.208 -4.017 1.00 0.00 C ATOM 379 C TYR A 37 95.651 12.768 -5.186 1.00 0.00 C ATOM 380 O TYR A 37 96.202 13.411 -6.079 1.00 0.00 O ATOM 381 CB TYR A 37 97.300 11.022 -4.487 1.00 0.00 C ATOM 382 CG TYR A 37 98.621 10.893 -3.762 1.00 0.00 C ATOM 383 CD1 TYR A 37 98.668 10.549 -2.417 1.00 0.00 C ATOM 384 CD2 TYR A 37 99.822 11.116 -4.425 1.00 0.00 C ATOM 385 CE1 TYR A 37 99.873 10.432 -1.752 1.00 0.00 C ATOM 386 CE2 TYR A 37 101.032 11.000 -3.766 1.00 0.00 C ATOM 387 CZ TYR A 37 101.052 10.657 -2.430 1.00 0.00 C ATOM 388 OH TYR A 37 102.254 10.542 -1.772 1.00 0.00 O ATOM 0 H TYR A 37 95.560 10.805 -2.737 1.00 0.00 H new ATOM 0 HA TYR A 37 97.117 12.992 -3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 37 96.729 10.104 -4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 37 97.490 11.123 -5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 37 97.747 10.370 -1.882 1.00 0.00 H new ATOM 0 HD2 TYR A 37 99.810 11.384 -5.471 1.00 0.00 H new ATOM 0 HE1 TYR A 37 99.891 10.165 -0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 37 101.957 11.177 -4.295 1.00 0.00 H new ATOM 0 HH TYR A 37 102.987 10.732 -2.394 1.00 0.00 H new ATOM 398 N GLU A 38 94.346 12.523 -5.173 1.00 0.00 N ATOM 399 CA GLU A 38 93.467 13.005 -6.231 1.00 0.00 C ATOM 400 C GLU A 38 93.158 14.487 -6.046 1.00 0.00 C ATOM 401 O GLU A 38 92.892 15.200 -7.014 1.00 0.00 O ATOM 402 CB GLU A 38 92.167 12.198 -6.250 1.00 0.00 C ATOM 403 CG GLU A 38 91.635 11.935 -7.650 1.00 0.00 C ATOM 404 CD GLU A 38 91.086 10.531 -7.811 1.00 0.00 C ATOM 405 OE1 GLU A 38 89.972 10.269 -7.309 1.00 0.00 O ATOM 406 OE2 GLU A 38 91.769 9.694 -8.437 1.00 0.00 O ATOM 0 H GLU A 38 93.873 11.993 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 38 93.980 12.875 -7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 38 92.333 11.245 -5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 38 91.409 12.732 -5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 38 90.850 12.656 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 38 92.434 12.094 -8.374 1.00 0.00 H new ATOM 413 N LYS A 39 93.193 14.946 -4.798 1.00 0.00 N ATOM 414 CA LYS A 39 92.917 16.344 -4.492 1.00 0.00 C ATOM 415 C LYS A 39 94.200 17.174 -4.475 1.00 0.00 C ATOM 416 O LYS A 39 94.208 18.308 -3.995 1.00 0.00 O ATOM 417 CB LYS A 39 92.205 16.461 -3.143 1.00 0.00 C ATOM 418 CG LYS A 39 91.460 17.773 -2.959 1.00 0.00 C ATOM 419 CD LYS A 39 90.254 17.863 -3.881 1.00 0.00 C ATOM 420 CE LYS A 39 90.512 18.804 -5.047 1.00 0.00 C ATOM 421 NZ LYS A 39 90.569 20.227 -4.611 1.00 0.00 N ATOM 0 H LYS A 39 93.410 14.370 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 39 92.269 16.734 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 39 91.500 15.636 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 39 92.939 16.355 -2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 39 91.135 17.866 -1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 39 92.134 18.606 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 39 90.010 16.871 -4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 39 89.389 18.210 -3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 39 91.451 18.534 -5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 39 89.725 18.684 -5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 90.440 20.848 -5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 89.814 20.409 -3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 91.493 20.419 -4.174 1.00 0.00 H new ATOM 435 N THR A 40 95.283 16.608 -5.003 1.00 0.00 N ATOM 436 CA THR A 40 96.565 17.302 -5.046 1.00 0.00 C ATOM 437 C THR A 40 97.005 17.727 -3.648 1.00 0.00 C ATOM 438 O THR A 40 97.143 18.917 -3.363 1.00 0.00 O ATOM 439 CB THR A 40 96.473 18.526 -5.961 1.00 0.00 C ATOM 440 OG1 THR A 40 95.540 18.302 -7.004 1.00 0.00 O ATOM 441 CG2 THR A 40 97.793 18.898 -6.599 1.00 0.00 C ATOM 0 H THR A 40 95.297 15.671 -5.406 1.00 0.00 H new ATOM 0 HA THR A 40 97.310 16.613 -5.444 1.00 0.00 H new ATOM 0 HB THR A 40 96.157 19.346 -5.316 1.00 0.00 H new ATOM 0 HG1 THR A 40 95.494 19.095 -7.577 1.00 0.00 H new ATOM 0 HG21 THR A 40 97.656 19.773 -7.234 1.00 0.00 H new ATOM 0 HG22 THR A 40 98.522 19.125 -5.821 1.00 0.00 H new ATOM 0 HG23 THR A 40 98.153 18.065 -7.202 1.00 0.00 H new ATOM 449 N TYR A 41 97.222 16.747 -2.778 1.00 0.00 N ATOM 450 CA TYR A 41 97.645 17.020 -1.409 1.00 0.00 C ATOM 451 C TYR A 41 99.063 16.516 -1.164 1.00 0.00 C ATOM 452 O TYR A 41 99.409 16.117 -0.052 1.00 0.00 O ATOM 453 CB TYR A 41 96.683 16.365 -0.417 1.00 0.00 C ATOM 454 CG TYR A 41 96.532 17.133 0.877 1.00 0.00 C ATOM 455 CD1 TYR A 41 97.401 16.920 1.939 1.00 0.00 C ATOM 456 CD2 TYR A 41 95.519 18.071 1.035 1.00 0.00 C ATOM 457 CE1 TYR A 41 97.265 17.620 3.124 1.00 0.00 C ATOM 458 CE2 TYR A 41 95.377 18.775 2.215 1.00 0.00 C ATOM 459 CZ TYR A 41 96.252 18.546 3.256 1.00 0.00 C ATOM 460 OH TYR A 41 96.114 19.244 4.433 1.00 0.00 O ATOM 0 H TYR A 41 97.112 15.757 -2.996 1.00 0.00 H new ATOM 0 HA TYR A 41 97.633 18.100 -1.262 1.00 0.00 H new ATOM 0 HB2 TYR A 41 95.704 16.264 -0.886 1.00 0.00 H new ATOM 0 HB3 TYR A 41 97.035 15.358 -0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 41 98.196 16.196 1.838 1.00 0.00 H new ATOM 0 HD2 TYR A 41 94.832 18.253 0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 41 97.948 17.442 3.941 1.00 0.00 H new ATOM 0 HE2 TYR A 41 94.585 19.501 2.322 1.00 0.00 H new ATOM 0 HH TYR A 41 95.353 19.857 4.362 1.00 0.00 H new ATOM 470 N LEU A 42 99.879 16.540 -2.210 1.00 0.00 N ATOM 471 CA LEU A 42 101.262 16.087 -2.111 1.00 0.00 C ATOM 472 C LEU A 42 102.154 17.187 -1.537 1.00 0.00 C ATOM 473 O LEU A 42 102.008 18.358 -1.886 1.00 0.00 O ATOM 474 CB LEU A 42 101.782 15.662 -3.486 1.00 0.00 C ATOM 475 CG LEU A 42 100.784 14.880 -4.343 1.00 0.00 C ATOM 476 CD1 LEU A 42 100.068 15.809 -5.310 1.00 0.00 C ATOM 477 CD2 LEU A 42 101.490 13.763 -5.098 1.00 0.00 C ATOM 0 H LEU A 42 99.608 16.868 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 42 101.290 15.230 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 42 102.087 16.554 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 42 102.675 15.052 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 42 100.040 14.433 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 42 99.363 15.235 -5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 42 99.530 16.573 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.798 16.286 -5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 42 100.765 13.217 -5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.255 14.189 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 42 101.956 13.081 -4.387 1.00 0.00 H new ATOM 489 N PRO A 43 103.094 16.828 -0.642 1.00 0.00 N ATOM 490 CA PRO A 43 104.005 17.800 -0.026 1.00 0.00 C ATOM 491 C PRO A 43 104.833 18.553 -1.062 1.00 0.00 C ATOM 492 O PRO A 43 104.679 19.762 -1.232 1.00 0.00 O ATOM 493 CB PRO A 43 104.912 16.941 0.864 1.00 0.00 C ATOM 494 CG PRO A 43 104.157 15.675 1.083 1.00 0.00 C ATOM 495 CD PRO A 43 103.344 15.458 -0.162 1.00 0.00 C ATOM 0 HA PRO A 43 103.462 18.570 0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 43 105.870 16.750 0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 43 105.125 17.441 1.809 1.00 0.00 H new ATOM 0 HG2 PRO A 43 104.836 14.840 1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 43 103.515 15.750 1.960 1.00 0.00 H new ATOM 0 HD2 PRO A 43 103.886 14.865 -0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 43 102.415 14.930 0.051 1.00 0.00 H new ATOM 503 N ALA A 44 105.713 17.833 -1.754 1.00 0.00 N ATOM 504 CA ALA A 44 106.563 18.441 -2.771 1.00 0.00 C ATOM 505 C ALA A 44 107.106 17.404 -3.747 1.00 0.00 C ATOM 506 O ALA A 44 108.105 17.646 -4.425 1.00 0.00 O ATOM 507 CB ALA A 44 107.707 19.201 -2.115 1.00 0.00 C ATOM 0 H ALA A 44 105.855 16.831 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 44 105.950 19.139 -3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 44 108.334 19.650 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 44 107.303 19.984 -1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 44 108.304 18.514 -1.516 1.00 0.00 H new ATOM 513 N VAL A 45 106.441 16.256 -3.835 1.00 0.00 N ATOM 514 CA VAL A 45 106.868 15.209 -4.750 1.00 0.00 C ATOM 515 C VAL A 45 106.732 15.693 -6.185 1.00 0.00 C ATOM 516 O VAL A 45 107.548 15.363 -7.045 1.00 0.00 O ATOM 517 CB VAL A 45 106.057 13.916 -4.557 1.00 0.00 C ATOM 518 CG1 VAL A 45 104.567 14.190 -4.694 1.00 0.00 C ATOM 519 CG2 VAL A 45 106.504 12.844 -5.542 1.00 0.00 C ATOM 0 H VAL A 45 105.611 16.030 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 45 107.912 14.982 -4.533 1.00 0.00 H new ATOM 0 HB VAL A 45 106.243 13.546 -3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 45 104.012 13.262 -4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 45 104.259 14.914 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 45 104.360 14.590 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 45 105.916 11.939 -5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 45 106.356 13.202 -6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 45 107.560 12.623 -5.385 1.00 0.00 H new ATOM 529 N ASP A 46 105.707 16.502 -6.427 1.00 0.00 N ATOM 530 CA ASP A 46 105.479 17.061 -7.748 1.00 0.00 C ATOM 531 C ASP A 46 106.630 17.989 -8.119 1.00 0.00 C ATOM 532 O ASP A 46 106.948 18.164 -9.294 1.00 0.00 O ATOM 533 CB ASP A 46 104.152 17.823 -7.787 1.00 0.00 C ATOM 534 CG ASP A 46 103.003 16.958 -8.266 1.00 0.00 C ATOM 535 OD1 ASP A 46 102.621 16.021 -7.534 1.00 0.00 O ATOM 536 OD2 ASP A 46 102.488 17.217 -9.374 1.00 0.00 O ATOM 0 H ASP A 46 105.023 16.783 -5.725 1.00 0.00 H new ATOM 0 HA ASP A 46 105.428 16.247 -8.471 1.00 0.00 H new ATOM 0 HB2 ASP A 46 103.926 18.204 -6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 46 104.251 18.687 -8.444 1.00 0.00 H new ATOM 541 N GLU A 47 107.257 18.575 -7.099 1.00 0.00 N ATOM 542 CA GLU A 47 108.382 19.474 -7.309 1.00 0.00 C ATOM 543 C GLU A 47 109.689 18.691 -7.357 1.00 0.00 C ATOM 544 O GLU A 47 110.383 18.685 -8.375 1.00 0.00 O ATOM 545 CB GLU A 47 108.441 20.523 -6.196 1.00 0.00 C ATOM 546 CG GLU A 47 107.659 21.788 -6.511 1.00 0.00 C ATOM 547 CD GLU A 47 106.915 22.328 -5.305 1.00 0.00 C ATOM 548 OE1 GLU A 47 107.560 22.970 -4.449 1.00 0.00 O ATOM 549 OE2 GLU A 47 105.689 22.109 -5.216 1.00 0.00 O ATOM 0 H GLU A 47 107.002 18.441 -6.121 1.00 0.00 H new ATOM 0 HA GLU A 47 108.242 19.981 -8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 47 108.054 20.086 -5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 47 109.482 20.786 -6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 47 108.343 22.551 -6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 47 106.947 21.581 -7.310 1.00 0.00 H new ATOM 556 N LYS A 48 110.018 18.024 -6.252 1.00 0.00 N ATOM 557 CA LYS A 48 111.241 17.231 -6.172 1.00 0.00 C ATOM 558 C LYS A 48 111.406 16.598 -4.790 1.00 0.00 C ATOM 559 O LYS A 48 112.473 16.690 -4.183 1.00 0.00 O ATOM 560 CB LYS A 48 112.462 18.100 -6.492 1.00 0.00 C ATOM 561 CG LYS A 48 113.535 17.373 -7.287 1.00 0.00 C ATOM 562 CD LYS A 48 114.831 18.166 -7.330 1.00 0.00 C ATOM 563 CE LYS A 48 116.039 17.278 -7.080 1.00 0.00 C ATOM 564 NZ LYS A 48 117.229 17.726 -7.854 1.00 0.00 N ATOM 0 H LYS A 48 109.455 18.018 -5.402 1.00 0.00 H new ATOM 0 HA LYS A 48 111.164 16.431 -6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 48 112.137 18.976 -7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 48 112.895 18.461 -5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 48 113.720 16.396 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 48 113.181 17.198 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 48 114.930 18.650 -8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 48 114.799 18.957 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 48 116.277 17.280 -6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 48 115.796 16.250 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 117.556 16.952 -8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 116.973 18.547 -8.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 117.990 17.993 -7.197 1.00 0.00 H new ATOM 578 N LEU A 49 110.352 15.952 -4.297 1.00 0.00 N ATOM 579 CA LEU A 49 110.407 15.307 -2.989 1.00 0.00 C ATOM 580 C LEU A 49 110.602 13.801 -3.134 1.00 0.00 C ATOM 581 O LEU A 49 111.294 13.175 -2.331 1.00 0.00 O ATOM 582 CB LEU A 49 109.133 15.594 -2.193 1.00 0.00 C ATOM 583 CG LEU A 49 109.191 15.192 -0.717 1.00 0.00 C ATOM 584 CD1 LEU A 49 108.207 16.014 0.100 1.00 0.00 C ATOM 585 CD2 LEU A 49 108.906 13.706 -0.561 1.00 0.00 C ATOM 0 H LEU A 49 109.457 15.862 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 49 111.260 15.718 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 49 108.915 16.660 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 49 108.302 15.070 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 49 110.195 15.392 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 49 108.263 15.714 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 49 108.455 17.072 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 49 107.196 15.847 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 49 108.951 13.436 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 49 107.913 13.483 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 49 109.650 13.133 -1.114 1.00 0.00 H new ATOM 597 N ARG A 50 109.990 13.226 -4.164 1.00 0.00 N ATOM 598 CA ARG A 50 110.099 11.794 -4.415 1.00 0.00 C ATOM 599 C ARG A 50 109.634 11.448 -5.827 1.00 0.00 C ATOM 600 O ARG A 50 109.134 10.351 -6.075 1.00 0.00 O ATOM 601 CB ARG A 50 109.277 11.013 -3.386 1.00 0.00 C ATOM 602 CG ARG A 50 110.102 10.484 -2.223 1.00 0.00 C ATOM 603 CD ARG A 50 110.271 8.975 -2.295 1.00 0.00 C ATOM 604 NE ARG A 50 109.014 8.271 -2.046 1.00 0.00 N ATOM 605 CZ ARG A 50 108.939 6.982 -1.723 1.00 0.00 C ATOM 606 NH1 ARG A 50 110.042 6.253 -1.610 1.00 0.00 N ATOM 607 NH2 ARG A 50 107.756 6.421 -1.513 1.00 0.00 N ATOM 0 H ARG A 50 109.414 13.730 -4.838 1.00 0.00 H new ATOM 0 HA ARG A 50 111.148 11.513 -4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 50 108.489 11.658 -2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 50 108.788 10.176 -3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 50 111.082 10.961 -2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 50 109.620 10.752 -1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 50 110.652 8.699 -3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 50 111.015 8.658 -1.564 1.00 0.00 H new ATOM 0 HE ARG A 50 108.144 8.798 -2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 50 110.954 6.680 -1.771 1.00 0.00 H new ATOM 0 HH12 ARG A 50 109.978 5.266 -1.362 1.00 0.00 H new ATOM 0 HH21 ARG A 50 106.905 6.977 -1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 50 107.697 5.433 -1.265 1.00 0.00 H new ATOM 621 N ASP A 51 109.799 12.391 -6.750 1.00 0.00 N ATOM 622 CA ASP A 51 109.393 12.183 -8.136 1.00 0.00 C ATOM 623 C ASP A 51 110.583 12.288 -9.087 1.00 0.00 C ATOM 624 O ASP A 51 110.540 11.773 -10.205 1.00 0.00 O ATOM 625 CB ASP A 51 108.319 13.197 -8.532 1.00 0.00 C ATOM 626 CG ASP A 51 107.712 12.897 -9.889 1.00 0.00 C ATOM 627 OD1 ASP A 51 108.421 13.054 -10.905 1.00 0.00 O ATOM 628 OD2 ASP A 51 106.527 12.502 -9.935 1.00 0.00 O ATOM 0 H ASP A 51 110.210 13.305 -6.563 1.00 0.00 H new ATOM 0 HA ASP A 51 108.984 11.176 -8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 51 107.532 13.201 -7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 51 108.754 14.196 -8.545 1.00 0.00 H new ATOM 633 N LEU A 52 111.646 12.956 -8.643 1.00 0.00 N ATOM 634 CA LEU A 52 112.840 13.120 -9.464 1.00 0.00 C ATOM 635 C LEU A 52 113.837 11.987 -9.224 1.00 0.00 C ATOM 636 O LEU A 52 115.013 12.104 -9.565 1.00 0.00 O ATOM 637 CB LEU A 52 113.503 14.466 -9.170 1.00 0.00 C ATOM 638 CG LEU A 52 114.296 15.064 -10.335 1.00 0.00 C ATOM 639 CD1 LEU A 52 113.405 15.959 -11.183 1.00 0.00 C ATOM 640 CD2 LEU A 52 115.498 15.841 -9.818 1.00 0.00 C ATOM 0 H LEU A 52 111.703 13.391 -7.722 1.00 0.00 H new ATOM 0 HA LEU A 52 112.534 13.090 -10.510 1.00 0.00 H new ATOM 0 HB2 LEU A 52 112.732 15.177 -8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 52 114.172 14.346 -8.318 1.00 0.00 H new ATOM 0 HG LEU A 52 114.658 14.248 -10.961 1.00 0.00 H new ATOM 0 HD11 LEU A 52 113.986 16.375 -12.006 1.00 0.00 H new ATOM 0 HD12 LEU A 52 112.577 15.374 -11.583 1.00 0.00 H new ATOM 0 HD13 LEU A 52 113.014 16.770 -10.569 1.00 0.00 H new ATOM 0 HD21 LEU A 52 116.050 16.259 -10.660 1.00 0.00 H new ATOM 0 HD22 LEU A 52 115.158 16.649 -9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 52 116.148 15.172 -9.254 1.00 0.00 H new ATOM 652 N TYR A 53 113.360 10.890 -8.639 1.00 0.00 N ATOM 653 CA TYR A 53 114.212 9.742 -8.360 1.00 0.00 C ATOM 654 C TYR A 53 113.651 8.485 -9.016 1.00 0.00 C ATOM 655 O TYR A 53 114.360 7.771 -9.725 1.00 0.00 O ATOM 656 CB TYR A 53 114.340 9.535 -6.849 1.00 0.00 C ATOM 657 CG TYR A 53 115.767 9.371 -6.377 1.00 0.00 C ATOM 658 CD1 TYR A 53 116.780 10.182 -6.871 1.00 0.00 C ATOM 659 CD2 TYR A 53 116.101 8.404 -5.436 1.00 0.00 C ATOM 660 CE1 TYR A 53 118.086 10.036 -6.441 1.00 0.00 C ATOM 661 CE2 TYR A 53 117.404 8.252 -5.001 1.00 0.00 C ATOM 662 CZ TYR A 53 118.392 9.070 -5.507 1.00 0.00 C ATOM 663 OH TYR A 53 119.690 8.921 -5.076 1.00 0.00 O ATOM 0 H TYR A 53 112.389 10.775 -8.350 1.00 0.00 H new ATOM 0 HA TYR A 53 115.201 9.937 -8.776 1.00 0.00 H new ATOM 0 HB2 TYR A 53 113.892 10.386 -6.335 1.00 0.00 H new ATOM 0 HB3 TYR A 53 113.768 8.653 -6.562 1.00 0.00 H new ATOM 0 HD1 TYR A 53 116.544 10.940 -7.604 1.00 0.00 H new ATOM 0 HD2 TYR A 53 115.330 7.761 -5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 53 118.862 10.676 -6.835 1.00 0.00 H new ATOM 0 HE2 TYR A 53 117.647 7.496 -4.269 1.00 0.00 H new ATOM 0 HH TYR A 53 119.749 8.147 -4.478 1.00 0.00 H new ATOM 673 N SER A 54 112.373 8.224 -8.773 1.00 0.00 N ATOM 674 CA SER A 54 111.704 7.055 -9.337 1.00 0.00 C ATOM 675 C SER A 54 112.467 5.777 -9.012 1.00 0.00 C ATOM 676 O SER A 54 112.667 4.921 -9.875 1.00 0.00 O ATOM 677 CB SER A 54 111.558 7.208 -10.853 1.00 0.00 C ATOM 678 OG SER A 54 110.423 7.990 -11.179 1.00 0.00 O ATOM 0 H SER A 54 111.776 8.807 -8.187 1.00 0.00 H new ATOM 0 HA SER A 54 110.713 6.984 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 54 112.454 7.674 -11.263 1.00 0.00 H new ATOM 0 HB3 SER A 54 111.471 6.224 -11.314 1.00 0.00 H new ATOM 0 HG SER A 54 110.353 8.074 -12.153 1.00 0.00 H new ATOM 684 N LYS A 55 112.897 5.657 -7.760 1.00 0.00 N ATOM 685 CA LYS A 55 113.644 4.485 -7.322 1.00 0.00 C ATOM 686 C LYS A 55 114.932 4.325 -8.126 1.00 0.00 C ATOM 687 O LYS A 55 115.540 3.253 -8.132 1.00 0.00 O ATOM 688 CB LYS A 55 112.785 3.226 -7.457 1.00 0.00 C ATOM 689 CG LYS A 55 111.609 3.187 -6.494 1.00 0.00 C ATOM 690 CD LYS A 55 111.521 1.851 -5.772 1.00 0.00 C ATOM 691 CE LYS A 55 112.130 1.929 -4.382 1.00 0.00 C ATOM 692 NZ LYS A 55 111.598 0.869 -3.482 1.00 0.00 N ATOM 0 H LYS A 55 112.741 6.355 -7.033 1.00 0.00 H new ATOM 0 HA LYS A 55 113.908 4.626 -6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 55 112.410 3.160 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 55 113.411 2.349 -7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 55 111.709 3.990 -5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 55 110.684 3.367 -7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 55 110.478 1.545 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 55 112.036 1.087 -6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 55 113.213 1.833 -4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 55 111.925 2.909 -3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 112.038 0.957 -2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 110.567 0.975 -3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 111.816 -0.066 -3.881 1.00 0.00 H new ATOM 706 N SER A 56 115.348 5.394 -8.803 1.00 0.00 N ATOM 707 CA SER A 56 116.568 5.363 -9.604 1.00 0.00 C ATOM 708 C SER A 56 117.752 4.923 -8.753 1.00 0.00 C ATOM 709 O SER A 56 118.514 4.035 -9.137 1.00 0.00 O ATOM 710 CB SER A 56 116.843 6.739 -10.212 1.00 0.00 C ATOM 711 OG SER A 56 118.102 6.767 -10.862 1.00 0.00 O ATOM 0 H SER A 56 114.859 6.289 -8.812 1.00 0.00 H new ATOM 0 HA SER A 56 116.430 4.644 -10.411 1.00 0.00 H new ATOM 0 HB2 SER A 56 116.057 6.989 -10.924 1.00 0.00 H new ATOM 0 HB3 SER A 56 116.817 7.498 -9.430 1.00 0.00 H new ATOM 0 HG SER A 56 118.253 7.657 -11.244 1.00 0.00 H new ATOM 717 N THR A 57 117.893 5.546 -7.589 1.00 0.00 N ATOM 718 CA THR A 57 118.973 5.220 -6.670 1.00 0.00 C ATOM 719 C THR A 57 118.493 5.279 -5.225 1.00 0.00 C ATOM 720 O THR A 57 119.293 5.412 -4.298 1.00 0.00 O ATOM 721 CB THR A 57 120.148 6.175 -6.869 1.00 0.00 C ATOM 722 OG1 THR A 57 120.343 6.454 -8.244 1.00 0.00 O ATOM 723 CG2 THR A 57 121.454 5.641 -6.318 1.00 0.00 C ATOM 0 H THR A 57 117.269 6.283 -7.260 1.00 0.00 H new ATOM 0 HA THR A 57 119.303 4.203 -6.883 1.00 0.00 H new ATOM 0 HB THR A 57 119.882 7.077 -6.318 1.00 0.00 H new ATOM 0 HG1 THR A 57 121.099 7.068 -8.349 1.00 0.00 H new ATOM 0 HG21 THR A 57 122.247 6.368 -6.492 1.00 0.00 H new ATOM 0 HG22 THR A 57 121.352 5.465 -5.247 1.00 0.00 H new ATOM 0 HG23 THR A 57 121.704 4.705 -6.817 1.00 0.00 H new ATOM 731 N ALA A 58 117.183 5.166 -5.039 1.00 0.00 N ATOM 732 CA ALA A 58 116.598 5.192 -3.707 1.00 0.00 C ATOM 733 C ALA A 58 116.776 3.841 -3.033 1.00 0.00 C ATOM 734 O ALA A 58 117.138 3.760 -1.859 1.00 0.00 O ATOM 735 CB ALA A 58 115.124 5.567 -3.781 1.00 0.00 C ATOM 0 H ALA A 58 116.507 5.056 -5.795 1.00 0.00 H new ATOM 0 HA ALA A 58 117.111 5.947 -3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 58 114.701 5.582 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 58 115.022 6.554 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 58 114.592 4.834 -4.387 1.00 0.00 H new ATOM 741 N ALA A 59 116.534 2.781 -3.795 1.00 0.00 N ATOM 742 CA ALA A 59 116.682 1.425 -3.286 1.00 0.00 C ATOM 743 C ALA A 59 118.156 1.054 -3.159 1.00 0.00 C ATOM 744 O ALA A 59 118.515 0.155 -2.399 1.00 0.00 O ATOM 745 CB ALA A 59 115.962 0.439 -4.192 1.00 0.00 C ATOM 0 H ALA A 59 116.234 2.836 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 59 116.232 1.379 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 59 116.081 -0.571 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 59 114.902 0.689 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 59 116.386 0.490 -5.195 1.00 0.00 H new ATOM 751 N MET A 60 119.009 1.754 -3.907 1.00 0.00 N ATOM 752 CA MET A 60 120.443 1.495 -3.872 1.00 0.00 C ATOM 753 C MET A 60 121.092 2.186 -2.677 1.00 0.00 C ATOM 754 O MET A 60 122.093 1.711 -2.141 1.00 0.00 O ATOM 755 CB MET A 60 121.100 1.971 -5.170 1.00 0.00 C ATOM 756 CG MET A 60 122.562 1.575 -5.291 1.00 0.00 C ATOM 757 SD MET A 60 123.539 2.794 -6.191 1.00 0.00 S ATOM 758 CE MET A 60 124.113 1.813 -7.575 1.00 0.00 C ATOM 0 H MET A 60 118.730 2.502 -4.542 1.00 0.00 H new ATOM 0 HA MET A 60 120.590 0.420 -3.771 1.00 0.00 H new ATOM 0 HB2 MET A 60 120.550 1.562 -6.017 1.00 0.00 H new ATOM 0 HB3 MET A 60 121.020 3.056 -5.232 1.00 0.00 H new ATOM 0 HG2 MET A 60 122.982 1.442 -4.294 1.00 0.00 H new ATOM 0 HG3 MET A 60 122.633 0.612 -5.797 1.00 0.00 H new ATOM 0 HE1 MET A 60 124.733 2.430 -8.226 1.00 0.00 H new ATOM 0 HE2 MET A 60 124.699 0.971 -7.206 1.00 0.00 H new ATOM 0 HE3 MET A 60 123.257 1.440 -8.137 1.00 0.00 H new ATOM 768 N SER A 61 120.515 3.311 -2.263 1.00 0.00 N ATOM 769 CA SER A 61 121.038 4.064 -1.130 1.00 0.00 C ATOM 770 C SER A 61 120.222 3.787 0.128 1.00 0.00 C ATOM 771 O SER A 61 120.088 4.649 0.996 1.00 0.00 O ATOM 772 CB SER A 61 121.029 5.563 -1.434 1.00 0.00 C ATOM 773 OG SER A 61 121.730 5.844 -2.634 1.00 0.00 O ATOM 0 H SER A 61 119.686 3.720 -2.695 1.00 0.00 H new ATOM 0 HA SER A 61 122.065 3.742 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 61 120.001 5.914 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 61 121.484 6.108 -0.607 1.00 0.00 H new ATOM 0 HG SER A 61 121.708 6.808 -2.807 1.00 0.00 H new ATOM 779 N THR A 62 119.684 2.577 0.220 1.00 0.00 N ATOM 780 CA THR A 62 118.885 2.181 1.372 1.00 0.00 C ATOM 781 C THR A 62 119.687 1.288 2.309 1.00 0.00 C ATOM 782 O THR A 62 119.303 1.075 3.459 1.00 0.00 O ATOM 783 CB THR A 62 117.622 1.448 0.923 1.00 0.00 C ATOM 784 OG1 THR A 62 117.529 1.419 -0.490 1.00 0.00 O ATOM 785 CG2 THR A 62 116.348 2.069 1.455 1.00 0.00 C ATOM 0 H THR A 62 119.787 1.852 -0.491 1.00 0.00 H new ATOM 0 HA THR A 62 118.602 3.087 1.907 1.00 0.00 H new ATOM 0 HB THR A 62 117.715 0.441 1.331 1.00 0.00 H new ATOM 0 HG1 THR A 62 117.902 0.577 -0.825 1.00 0.00 H new ATOM 0 HG21 THR A 62 115.489 1.500 1.099 1.00 0.00 H new ATOM 0 HG22 THR A 62 116.365 2.056 2.545 1.00 0.00 H new ATOM 0 HG23 THR A 62 116.271 3.099 1.105 1.00 0.00 H new ATOM 793 N TYR A 63 120.806 0.765 1.811 1.00 0.00 N ATOM 794 CA TYR A 63 121.664 -0.104 2.602 1.00 0.00 C ATOM 795 C TYR A 63 121.906 0.486 3.984 1.00 0.00 C ATOM 796 O TYR A 63 122.132 -0.243 4.950 1.00 0.00 O ATOM 797 CB TYR A 63 122.996 -0.325 1.894 1.00 0.00 C ATOM 798 CG TYR A 63 123.055 -1.606 1.095 1.00 0.00 C ATOM 799 CD1 TYR A 63 122.621 -1.645 -0.225 1.00 0.00 C ATOM 800 CD2 TYR A 63 123.547 -2.777 1.658 1.00 0.00 C ATOM 801 CE1 TYR A 63 122.673 -2.815 -0.959 1.00 0.00 C ATOM 802 CE2 TYR A 63 123.604 -3.950 0.930 1.00 0.00 C ATOM 803 CZ TYR A 63 123.166 -3.964 -0.377 1.00 0.00 C ATOM 804 OH TYR A 63 123.220 -5.130 -1.105 1.00 0.00 O ATOM 0 H TYR A 63 121.137 0.931 0.861 1.00 0.00 H new ATOM 0 HA TYR A 63 121.158 -1.063 2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 63 123.188 0.517 1.229 1.00 0.00 H new ATOM 0 HB3 TYR A 63 123.795 -0.333 2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 63 122.237 -0.746 -0.685 1.00 0.00 H new ATOM 0 HD2 TYR A 63 123.891 -2.770 2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 63 122.329 -2.829 -1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 63 123.990 -4.851 1.383 1.00 0.00 H new ATOM 0 HH TYR A 63 123.593 -5.846 -0.549 1.00 0.00 H new ATOM 814 N THR A 64 121.841 1.811 4.079 1.00 0.00 N ATOM 815 CA THR A 64 122.035 2.489 5.354 1.00 0.00 C ATOM 816 C THR A 64 121.156 1.858 6.430 1.00 0.00 C ATOM 817 O THR A 64 121.489 1.885 7.615 1.00 0.00 O ATOM 818 CB THR A 64 121.716 3.979 5.220 1.00 0.00 C ATOM 819 OG1 THR A 64 122.281 4.509 4.034 1.00 0.00 O ATOM 820 CG2 THR A 64 122.228 4.806 6.380 1.00 0.00 C ATOM 0 H THR A 64 121.656 2.433 3.292 1.00 0.00 H new ATOM 0 HA THR A 64 123.079 2.381 5.647 1.00 0.00 H new ATOM 0 HB THR A 64 120.628 4.041 5.201 1.00 0.00 H new ATOM 0 HG1 THR A 64 122.064 5.462 3.966 1.00 0.00 H new ATOM 0 HG21 THR A 64 121.969 5.853 6.223 1.00 0.00 H new ATOM 0 HG22 THR A 64 121.773 4.455 7.306 1.00 0.00 H new ATOM 0 HG23 THR A 64 123.311 4.707 6.447 1.00 0.00 H new ATOM 828 N GLY A 65 120.035 1.280 6.002 1.00 0.00 N ATOM 829 CA GLY A 65 119.128 0.637 6.934 1.00 0.00 C ATOM 830 C GLY A 65 118.985 -0.852 6.669 1.00 0.00 C ATOM 831 O GLY A 65 118.228 -1.539 7.355 1.00 0.00 O ATOM 0 H GLY A 65 119.740 1.247 5.026 1.00 0.00 H new ATOM 0 HA2 GLY A 65 119.489 0.789 7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 65 118.148 1.111 6.869 1.00 0.00 H new ATOM 835 N ILE A 66 119.713 -1.354 5.672 1.00 0.00 N ATOM 836 CA ILE A 66 119.662 -2.765 5.325 1.00 0.00 C ATOM 837 C ILE A 66 120.994 -3.455 5.605 1.00 0.00 C ATOM 838 O ILE A 66 121.093 -4.678 5.532 1.00 0.00 O ATOM 839 CB ILE A 66 119.304 -2.963 3.841 1.00 0.00 C ATOM 840 CG1 ILE A 66 118.135 -2.058 3.446 1.00 0.00 C ATOM 841 CG2 ILE A 66 118.974 -4.423 3.560 1.00 0.00 C ATOM 842 CD1 ILE A 66 117.780 -2.136 1.978 1.00 0.00 C ATOM 0 H ILE A 66 120.344 -0.800 5.093 1.00 0.00 H new ATOM 0 HA ILE A 66 118.887 -3.212 5.947 1.00 0.00 H new ATOM 0 HB ILE A 66 120.169 -2.687 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 66 117.261 -2.329 4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 66 118.383 -1.027 3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.723 -4.543 2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 66 119.837 -5.044 3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 66 118.125 -4.728 4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 66 116.943 -1.469 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 66 118.640 -1.837 1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 66 117.500 -3.159 1.725 1.00 0.00 H new ATOM 854 N PHE A 67 122.022 -2.665 5.928 1.00 0.00 N ATOM 855 CA PHE A 67 123.346 -3.213 6.220 1.00 0.00 C ATOM 856 C PHE A 67 123.244 -4.423 7.143 1.00 0.00 C ATOM 857 O PHE A 67 124.069 -5.335 7.083 1.00 0.00 O ATOM 858 CB PHE A 67 124.236 -2.143 6.856 1.00 0.00 C ATOM 859 CG PHE A 67 123.716 -1.629 8.169 1.00 0.00 C ATOM 860 CD1 PHE A 67 122.725 -0.661 8.207 1.00 0.00 C ATOM 861 CD2 PHE A 67 124.220 -2.115 9.365 1.00 0.00 C ATOM 862 CE1 PHE A 67 122.246 -0.187 9.414 1.00 0.00 C ATOM 863 CE2 PHE A 67 123.744 -1.644 10.575 1.00 0.00 C ATOM 864 CZ PHE A 67 122.758 -0.679 10.599 1.00 0.00 C ATOM 0 H PHE A 67 121.962 -1.649 5.993 1.00 0.00 H new ATOM 0 HA PHE A 67 123.793 -3.535 5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 67 125.234 -2.555 7.006 1.00 0.00 H new ATOM 0 HB3 PHE A 67 124.337 -1.308 6.163 1.00 0.00 H new ATOM 0 HD1 PHE A 67 122.322 -0.273 7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 67 124.993 -2.870 9.352 1.00 0.00 H new ATOM 0 HE1 PHE A 67 121.473 0.567 9.431 1.00 0.00 H new ATOM 0 HE2 PHE A 67 124.144 -2.031 11.501 1.00 0.00 H new ATOM 0 HZ PHE A 67 122.387 -0.309 11.543 1.00 0.00 H new ATOM 874 N THR A 68 122.218 -4.427 7.989 1.00 0.00 N ATOM 875 CA THR A 68 121.996 -5.527 8.917 1.00 0.00 C ATOM 876 C THR A 68 120.790 -6.359 8.488 1.00 0.00 C ATOM 877 O THR A 68 120.685 -7.537 8.830 1.00 0.00 O ATOM 878 CB THR A 68 121.788 -4.995 10.337 1.00 0.00 C ATOM 879 OG1 THR A 68 122.913 -4.244 10.759 1.00 0.00 O ATOM 880 CG2 THR A 68 121.555 -6.087 11.358 1.00 0.00 C ATOM 0 H THR A 68 121.527 -3.679 8.050 1.00 0.00 H new ATOM 0 HA THR A 68 122.880 -6.165 8.906 1.00 0.00 H new ATOM 0 HB THR A 68 120.894 -4.374 10.285 1.00 0.00 H new ATOM 0 HG1 THR A 68 122.824 -3.319 10.448 1.00 0.00 H new ATOM 0 HG21 THR A 68 121.415 -5.641 12.343 1.00 0.00 H new ATOM 0 HG22 THR A 68 120.665 -6.654 11.087 1.00 0.00 H new ATOM 0 HG23 THR A 68 122.417 -6.754 11.381 1.00 0.00 H new ATOM 888 N ASP A 69 119.884 -5.744 7.732 1.00 0.00 N ATOM 889 CA ASP A 69 118.695 -6.440 7.256 1.00 0.00 C ATOM 890 C ASP A 69 119.057 -7.409 6.138 1.00 0.00 C ATOM 891 O ASP A 69 118.490 -8.497 6.036 1.00 0.00 O ATOM 892 CB ASP A 69 117.647 -5.439 6.767 1.00 0.00 C ATOM 893 CG ASP A 69 116.248 -5.792 7.232 1.00 0.00 C ATOM 894 OD1 ASP A 69 115.702 -6.807 6.751 1.00 0.00 O ATOM 895 OD2 ASP A 69 115.699 -5.054 8.076 1.00 0.00 O ATOM 0 H ASP A 69 119.951 -4.770 7.438 1.00 0.00 H new ATOM 0 HA ASP A 69 118.274 -7.006 8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 69 117.905 -4.443 7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 69 117.666 -5.401 5.678 1.00 0.00 H new ATOM 900 N GLN A 70 120.014 -7.009 5.307 1.00 0.00 N ATOM 901 CA GLN A 70 120.463 -7.845 4.202 1.00 0.00 C ATOM 902 C GLN A 70 121.148 -9.099 4.731 1.00 0.00 C ATOM 903 O GLN A 70 121.078 -10.163 4.117 1.00 0.00 O ATOM 904 CB GLN A 70 121.421 -7.065 3.299 1.00 0.00 C ATOM 905 CG GLN A 70 121.261 -7.387 1.822 1.00 0.00 C ATOM 906 CD GLN A 70 120.076 -6.677 1.195 1.00 0.00 C ATOM 907 OE1 GLN A 70 118.929 -6.907 1.575 1.00 0.00 O ATOM 908 NE2 GLN A 70 120.350 -5.808 0.229 1.00 0.00 N ATOM 0 H GLN A 70 120.493 -6.111 5.379 1.00 0.00 H new ATOM 0 HA GLN A 70 119.592 -8.141 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 70 121.261 -5.997 3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 70 122.446 -7.279 3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 70 122.171 -7.105 1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 70 121.141 -8.463 1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 70 121.317 -5.648 -0.054 1.00 0.00 H new ATOM 0 HE22 GLN A 70 119.594 -5.300 -0.230 1.00 0.00 H new ATOM 917 N VAL A 71 121.803 -8.966 5.881 1.00 0.00 N ATOM 918 CA VAL A 71 122.495 -10.085 6.502 1.00 0.00 C ATOM 919 C VAL A 71 121.505 -11.008 7.202 1.00 0.00 C ATOM 920 O VAL A 71 121.568 -12.228 7.060 1.00 0.00 O ATOM 921 CB VAL A 71 123.536 -9.589 7.519 1.00 0.00 C ATOM 922 CG1 VAL A 71 124.233 -10.759 8.201 1.00 0.00 C ATOM 923 CG2 VAL A 71 124.549 -8.676 6.843 1.00 0.00 C ATOM 0 H VAL A 71 121.868 -8.091 6.401 1.00 0.00 H new ATOM 0 HA VAL A 71 123.005 -10.638 5.713 1.00 0.00 H new ATOM 0 HB VAL A 71 123.016 -9.016 8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 71 124.964 -10.381 8.915 1.00 0.00 H new ATOM 0 HG12 VAL A 71 123.495 -11.367 8.725 1.00 0.00 H new ATOM 0 HG13 VAL A 71 124.739 -11.368 7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 71 125.278 -8.334 7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 71 125.061 -9.223 6.051 1.00 0.00 H new ATOM 0 HG23 VAL A 71 124.035 -7.816 6.415 1.00 0.00 H new ATOM 933 N LEU A 72 120.587 -10.412 7.957 1.00 0.00 N ATOM 934 CA LEU A 72 119.577 -11.177 8.677 1.00 0.00 C ATOM 935 C LEU A 72 118.674 -11.928 7.704 1.00 0.00 C ATOM 936 O LEU A 72 118.097 -12.960 8.047 1.00 0.00 O ATOM 937 CB LEU A 72 118.738 -10.251 9.560 1.00 0.00 C ATOM 938 CG LEU A 72 119.390 -9.854 10.886 1.00 0.00 C ATOM 939 CD1 LEU A 72 118.821 -8.536 11.388 1.00 0.00 C ATOM 940 CD2 LEU A 72 119.197 -10.951 11.923 1.00 0.00 C ATOM 0 H LEU A 72 120.523 -9.402 8.085 1.00 0.00 H new ATOM 0 HA LEU A 72 120.087 -11.904 9.309 1.00 0.00 H new ATOM 0 HB2 LEU A 72 118.512 -9.345 8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 72 117.787 -10.740 9.772 1.00 0.00 H new ATOM 0 HG LEU A 72 120.459 -9.723 10.719 1.00 0.00 H new ATOM 0 HD11 LEU A 72 119.297 -8.270 12.332 1.00 0.00 H new ATOM 0 HD12 LEU A 72 119.011 -7.754 10.653 1.00 0.00 H new ATOM 0 HD13 LEU A 72 117.746 -8.638 11.539 1.00 0.00 H new ATOM 0 HD21 LEU A 72 119.667 -10.652 12.860 1.00 0.00 H new ATOM 0 HD22 LEU A 72 118.132 -11.114 12.087 1.00 0.00 H new ATOM 0 HD23 LEU A 72 119.654 -11.874 11.566 1.00 0.00 H new ATOM 952 N SER A 73 118.559 -11.402 6.488 1.00 0.00 N ATOM 953 CA SER A 73 117.730 -12.023 5.463 1.00 0.00 C ATOM 954 C SER A 73 118.442 -13.220 4.837 1.00 0.00 C ATOM 955 O SER A 73 117.800 -14.121 4.298 1.00 0.00 O ATOM 956 CB SER A 73 117.373 -11.005 4.379 1.00 0.00 C ATOM 957 OG SER A 73 116.320 -10.157 4.803 1.00 0.00 O ATOM 0 H SER A 73 119.030 -10.548 6.190 1.00 0.00 H new ATOM 0 HA SER A 73 116.814 -12.375 5.938 1.00 0.00 H new ATOM 0 HB2 SER A 73 118.250 -10.406 4.135 1.00 0.00 H new ATOM 0 HB3 SER A 73 117.080 -11.527 3.468 1.00 0.00 H new ATOM 0 HG SER A 73 116.692 -9.394 5.293 1.00 0.00 H new ATOM 963 N VAL A 74 119.770 -13.225 4.914 1.00 0.00 N ATOM 964 CA VAL A 74 120.559 -14.317 4.355 1.00 0.00 C ATOM 965 C VAL A 74 120.155 -15.647 4.980 1.00 0.00 C ATOM 966 O VAL A 74 120.215 -16.692 4.333 1.00 0.00 O ATOM 967 CB VAL A 74 122.070 -14.087 4.563 1.00 0.00 C ATOM 968 CG1 VAL A 74 122.876 -15.283 4.073 1.00 0.00 C ATOM 969 CG2 VAL A 74 122.510 -12.818 3.852 1.00 0.00 C ATOM 0 H VAL A 74 120.320 -12.488 5.356 1.00 0.00 H new ATOM 0 HA VAL A 74 120.359 -14.346 3.284 1.00 0.00 H new ATOM 0 HB VAL A 74 122.256 -13.972 5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 74 123.938 -15.095 4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 74 122.579 -16.174 4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 74 122.689 -15.437 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 74 123.578 -12.666 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 74 122.307 -12.910 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 74 121.961 -11.967 4.254 1.00 0.00 H new ATOM 979 N LEU A 75 119.730 -15.598 6.238 1.00 0.00 N ATOM 980 CA LEU A 75 119.301 -16.799 6.944 1.00 0.00 C ATOM 981 C LEU A 75 118.191 -17.505 6.170 1.00 0.00 C ATOM 982 O LEU A 75 117.990 -18.711 6.314 1.00 0.00 O ATOM 983 CB LEU A 75 118.815 -16.445 8.351 1.00 0.00 C ATOM 984 CG LEU A 75 118.664 -17.633 9.302 1.00 0.00 C ATOM 985 CD1 LEU A 75 119.972 -17.906 10.027 1.00 0.00 C ATOM 986 CD2 LEU A 75 117.542 -17.378 10.298 1.00 0.00 C ATOM 0 H LEU A 75 119.674 -14.741 6.788 1.00 0.00 H new ATOM 0 HA LEU A 75 120.154 -17.473 7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 75 119.513 -15.733 8.791 1.00 0.00 H new ATOM 0 HB3 LEU A 75 117.853 -15.939 8.270 1.00 0.00 H new ATOM 0 HG LEU A 75 118.408 -18.515 8.715 1.00 0.00 H new ATOM 0 HD11 LEU A 75 119.845 -18.755 10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 75 120.751 -18.133 9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 75 120.259 -17.026 10.603 1.00 0.00 H new ATOM 0 HD21 LEU A 75 117.448 -18.233 10.967 1.00 0.00 H new ATOM 0 HD22 LEU A 75 117.768 -16.485 10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 75 116.605 -17.233 9.761 1.00 0.00 H new ATOM 998 N LYS A 76 117.480 -16.743 5.342 1.00 0.00 N ATOM 999 CA LYS A 76 116.396 -17.291 4.537 1.00 0.00 C ATOM 1000 C LYS A 76 115.790 -16.216 3.646 1.00 0.00 C ATOM 1001 O LYS A 76 115.239 -15.226 4.130 1.00 0.00 O ATOM 1002 CB LYS A 76 115.316 -17.902 5.433 1.00 0.00 C ATOM 1003 CG LYS A 76 114.163 -18.521 4.660 1.00 0.00 C ATOM 1004 CD LYS A 76 113.668 -19.796 5.322 1.00 0.00 C ATOM 1005 CE LYS A 76 114.288 -21.031 4.688 1.00 0.00 C ATOM 1006 NZ LYS A 76 115.519 -21.464 5.404 1.00 0.00 N ATOM 0 H LYS A 76 117.637 -15.744 5.212 1.00 0.00 H new ATOM 0 HA LYS A 76 116.809 -18.075 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 76 115.769 -18.665 6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 76 114.925 -17.130 6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 76 113.344 -17.805 4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 76 114.483 -18.740 3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 76 113.908 -19.772 6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 76 112.582 -19.851 5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 76 113.562 -21.844 4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 76 114.529 -20.822 3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 115.911 -22.309 4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 116.222 -20.698 5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 115.285 -21.688 6.392 1.00 0.00 H new ATOM 1020 N GLY A 77 115.908 -16.415 2.340 1.00 0.00 N ATOM 1021 CA GLY A 77 115.383 -15.455 1.389 1.00 0.00 C ATOM 1022 C GLY A 77 116.485 -14.770 0.605 1.00 0.00 C ATOM 1023 O GLY A 77 116.220 -14.081 -0.379 1.00 0.00 O ATOM 0 H GLY A 77 116.360 -17.228 1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 77 114.708 -15.961 0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 77 114.795 -14.705 1.918 1.00 0.00 H new ATOM 1027 N GLU A 78 117.730 -14.968 1.043 1.00 0.00 N ATOM 1028 CA GLU A 78 118.887 -14.375 0.383 1.00 0.00 C ATOM 1029 C GLU A 78 118.636 -12.913 0.027 1.00 0.00 C ATOM 1030 O GLU A 78 119.161 -12.404 -0.964 1.00 0.00 O ATOM 1031 CB GLU A 78 119.230 -15.174 -0.871 1.00 0.00 C ATOM 1032 CG GLU A 78 120.509 -14.719 -1.555 1.00 0.00 C ATOM 1033 CD GLU A 78 121.241 -15.857 -2.239 1.00 0.00 C ATOM 1034 OE1 GLU A 78 121.271 -16.969 -1.672 1.00 0.00 O ATOM 1035 OE2 GLU A 78 121.783 -15.636 -3.342 1.00 0.00 O ATOM 0 H GLU A 78 117.960 -15.538 1.857 1.00 0.00 H new ATOM 0 HA GLU A 78 119.729 -14.407 1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 78 119.325 -16.227 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 78 118.404 -15.097 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 78 120.270 -13.951 -2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 78 121.167 -14.260 -0.818 1.00 0.00 H new ATOM 1042 N GLU A 79 117.828 -12.245 0.842 1.00 0.00 N ATOM 1043 CA GLU A 79 117.505 -10.841 0.617 1.00 0.00 C ATOM 1044 C GLU A 79 118.661 -9.941 1.040 1.00 0.00 C ATOM 1045 O GLU A 79 119.018 -9.031 0.262 1.00 0.00 O ATOM 1046 CB GLU A 79 116.237 -10.458 1.382 1.00 0.00 C ATOM 1047 CG GLU A 79 115.300 -9.556 0.595 1.00 0.00 C ATOM 1048 CD GLU A 79 115.663 -8.090 0.717 1.00 0.00 C ATOM 1049 OE1 GLU A 79 115.812 -7.609 1.860 1.00 0.00 O ATOM 1050 OE2 GLU A 79 115.799 -7.423 -0.330 1.00 0.00 O ATOM 1051 OXT GLU A 79 119.201 -10.154 2.147 1.00 0.00 O ATOM 0 H GLU A 79 117.384 -12.653 1.665 1.00 0.00 H new ATOM 0 HA GLU A 79 117.332 -10.701 -0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 79 115.703 -11.366 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 79 116.519 -9.956 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 79 115.321 -9.845 -0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 79 114.279 -9.704 0.946 1.00 0.00 H new TER 1058 GLU A 79