USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 700 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 34 GLN : amide:sc= -7.01! C(o=-8.7!,f=-15!) USER MOD Set 1.2: A 68 THR OG1 : rot -130:sc= -1.7 USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -149:sc= -0.18 (180deg=-1.67) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.022 X(o=-0.022,f=-0.038) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= 0.0264 (180deg=0.000411) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.649 F(o=-3.1,f=-0.65) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0505 USER MOD Single : A 44 SER OG : rot 180:sc= -0.447 USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= -1.67 (180deg=-1.68) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 54:sc= 0.0963 USER MOD Single : A 55 GLN : amide:sc= -1.18 K(o=-1.2,f=-4.7!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 68:sc= 0.208 USER MOD Single : A 67 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-2.9) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc=-0.00587 F(o=-0.87,f=-0.0059) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 6:sc= 1.02 USER MOD Single : A 93 THR OG1 : rot 91:sc= 0.4 USER MOD Single : A 94 THR OG1 : rot 91:sc= -3.02! USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 13 N VAL A 2 4.205 1.590 -0.266 1.00 51.33 N ATOM 14 CA VAL A 2 4.613 2.908 -0.739 1.00 22.10 C ATOM 15 C VAL A 2 5.683 3.508 0.166 1.00 42.33 C ATOM 16 O VAL A 2 5.715 3.243 1.368 1.00 2.53 O ATOM 17 CB VAL A 2 3.417 3.874 -0.810 1.00 15.30 C ATOM 18 CG1 VAL A 2 3.856 5.233 -1.335 1.00 62.55 C ATOM 19 CG2 VAL A 2 2.312 3.291 -1.678 1.00 1.13 C ATOM 0 HA VAL A 2 5.021 2.773 -1.741 1.00 22.10 H new ATOM 0 HB VAL A 2 3.024 4.010 0.197 1.00 15.30 H new ATOM 0 HG11 VAL A 2 2.996 5.902 -1.378 1.00 62.55 H new ATOM 0 HG12 VAL A 2 4.610 5.654 -0.670 1.00 62.55 H new ATOM 0 HG13 VAL A 2 4.277 5.119 -2.334 1.00 62.55 H new ATOM 0 HG21 VAL A 2 1.474 3.987 -1.717 1.00 1.13 H new ATOM 0 HG22 VAL A 2 2.691 3.123 -2.686 1.00 1.13 H new ATOM 0 HG23 VAL A 2 1.977 2.344 -1.254 1.00 1.13 H new ATOM 29 N ILE A 3 6.559 4.319 -0.420 1.00 22.24 N ATOM 30 CA ILE A 3 7.630 4.959 0.334 1.00 61.43 C ATOM 31 C ILE A 3 7.377 6.455 0.487 1.00 21.42 C ATOM 32 O ILE A 3 7.257 7.179 -0.501 1.00 75.53 O ATOM 33 CB ILE A 3 8.998 4.747 -0.343 1.00 15.43 C ATOM 34 CG1 ILE A 3 9.264 3.255 -0.550 1.00 0.24 C ATOM 35 CG2 ILE A 3 10.104 5.378 0.491 1.00 55.33 C ATOM 36 CD1 ILE A 3 10.667 2.952 -1.027 1.00 4.43 C ATOM 0 H ILE A 3 6.548 4.548 -1.414 1.00 22.24 H new ATOM 0 HA ILE A 3 7.645 4.494 1.319 1.00 61.43 H new ATOM 0 HB ILE A 3 8.983 5.232 -1.319 1.00 15.43 H new ATOM 0 HG12 ILE A 3 9.086 2.729 0.388 1.00 0.24 H new ATOM 0 HG13 ILE A 3 8.550 2.864 -1.275 1.00 0.24 H new ATOM 0 HG21 ILE A 3 11.065 5.220 0.001 1.00 55.33 H new ATOM 0 HG22 ILE A 3 9.919 6.447 0.591 1.00 55.33 H new ATOM 0 HG23 ILE A 3 10.122 4.919 1.479 1.00 55.33 H new ATOM 0 HD11 ILE A 3 10.784 1.876 -1.152 1.00 4.43 H new ATOM 0 HD12 ILE A 3 10.842 3.450 -1.981 1.00 4.43 H new ATOM 0 HD13 ILE A 3 11.387 3.312 -0.292 1.00 4.43 H new ATOM 48 N ILE A 4 7.298 6.910 1.733 1.00 41.31 N ATOM 49 CA ILE A 4 7.062 8.321 2.016 1.00 31.33 C ATOM 50 C ILE A 4 8.265 9.170 1.620 1.00 21.23 C ATOM 51 O ILE A 4 9.403 8.855 1.971 1.00 50.41 O ATOM 52 CB ILE A 4 6.754 8.551 3.507 1.00 52.01 C ATOM 53 CG1 ILE A 4 5.437 7.870 3.890 1.00 25.24 C ATOM 54 CG2 ILE A 4 6.693 10.041 3.812 1.00 70.03 C ATOM 55 CD1 ILE A 4 5.109 7.974 5.363 1.00 25.32 C ATOM 0 H ILE A 4 7.394 6.323 2.562 1.00 41.31 H new ATOM 0 HA ILE A 4 6.198 8.622 1.424 1.00 31.33 H new ATOM 0 HB ILE A 4 7.556 8.110 4.100 1.00 52.01 H new ATOM 0 HG12 ILE A 4 4.626 8.315 3.313 1.00 25.24 H new ATOM 0 HG13 ILE A 4 5.487 6.818 3.611 1.00 25.24 H new ATOM 0 HG21 ILE A 4 6.474 10.187 4.870 1.00 70.03 H new ATOM 0 HG22 ILE A 4 7.652 10.501 3.573 1.00 70.03 H new ATOM 0 HG23 ILE A 4 5.909 10.503 3.212 1.00 70.03 H new ATOM 0 HD11 ILE A 4 4.163 7.470 5.562 1.00 25.32 H new ATOM 0 HD12 ILE A 4 5.901 7.503 5.946 1.00 25.32 H new ATOM 0 HD13 ILE A 4 5.026 9.024 5.644 1.00 25.32 H new ATOM 67 N LYS A 5 8.007 10.248 0.890 1.00 54.35 N ATOM 68 CA LYS A 5 9.067 11.147 0.447 1.00 32.33 C ATOM 69 C LYS A 5 8.705 12.599 0.737 1.00 54.52 C ATOM 70 O LYS A 5 7.537 12.952 0.904 1.00 23.11 O ATOM 71 CB LYS A 5 9.327 10.963 -1.050 1.00 54.40 C ATOM 72 CG LYS A 5 9.109 9.541 -1.536 1.00 22.41 C ATOM 73 CD LYS A 5 10.024 8.562 -0.820 1.00 32.44 C ATOM 74 CE LYS A 5 10.957 7.856 -1.792 1.00 70.22 C ATOM 75 NZ LYS A 5 10.213 7.234 -2.922 1.00 15.10 N ATOM 0 H LYS A 5 7.071 10.522 0.591 1.00 54.35 H new ATOM 0 HA LYS A 5 9.974 10.900 1.000 1.00 32.33 H new ATOM 0 HB2 LYS A 5 8.673 11.633 -1.609 1.00 54.40 H new ATOM 0 HB3 LYS A 5 10.352 11.260 -1.271 1.00 54.40 H new ATOM 0 HG2 LYS A 5 8.070 9.255 -1.373 1.00 22.41 H new ATOM 0 HG3 LYS A 5 9.289 9.491 -2.610 1.00 22.41 H new ATOM 0 HD2 LYS A 5 10.612 9.093 -0.071 1.00 32.44 H new ATOM 0 HD3 LYS A 5 9.424 7.823 -0.289 1.00 32.44 H new ATOM 0 HE2 LYS A 5 11.682 8.570 -2.184 1.00 70.22 H new ATOM 0 HE3 LYS A 5 11.521 7.088 -1.262 1.00 70.22 H new ATOM 0 HZ1 LYS A 5 10.717 6.383 -3.243 1.00 15.10 H new ATOM 0 HZ2 LYS A 5 9.257 6.972 -2.606 1.00 15.10 H new ATOM 0 HZ3 LYS A 5 10.144 7.912 -3.708 1.00 15.10 H new ATOM 89 N PRO A 6 9.728 13.464 0.797 1.00 10.53 N ATOM 90 CA PRO A 6 9.542 14.894 1.064 1.00 23.22 C ATOM 91 C PRO A 6 8.870 15.618 -0.097 1.00 11.31 C ATOM 92 O PRO A 6 8.414 14.989 -1.051 1.00 41.31 O ATOM 93 CB PRO A 6 10.971 15.407 1.260 1.00 41.14 C ATOM 94 CG PRO A 6 11.824 14.452 0.499 1.00 34.43 C ATOM 95 CD PRO A 6 11.145 13.114 0.607 1.00 5.11 C ATOM 0 HA PRO A 6 8.891 15.067 1.921 1.00 23.22 H new ATOM 0 HB2 PRO A 6 11.082 16.424 0.883 1.00 41.14 H new ATOM 0 HB3 PRO A 6 11.243 15.427 2.315 1.00 41.14 H new ATOM 0 HG2 PRO A 6 11.919 14.758 -0.543 1.00 34.43 H new ATOM 0 HG3 PRO A 6 12.831 14.413 0.913 1.00 34.43 H new ATOM 0 HD2 PRO A 6 11.294 12.514 -0.291 1.00 5.11 H new ATOM 0 HD3 PRO A 6 11.531 12.534 1.445 1.00 5.11 H new ATOM 103 N GLN A 7 8.812 16.943 -0.008 1.00 24.15 N ATOM 104 CA GLN A 7 8.196 17.752 -1.052 1.00 12.31 C ATOM 105 C GLN A 7 9.225 18.661 -1.715 1.00 52.13 C ATOM 106 O GLN A 7 8.914 19.374 -2.670 1.00 63.30 O ATOM 107 CB GLN A 7 7.056 18.591 -0.470 1.00 64.40 C ATOM 108 CG GLN A 7 6.275 19.366 -1.519 1.00 21.03 C ATOM 109 CD GLN A 7 4.790 19.421 -1.218 1.00 72.13 C ATOM 110 OE1 GLN A 7 3.962 19.060 -2.055 1.00 73.12 O ATOM 111 NE2 GLN A 7 4.444 19.873 -0.018 1.00 43.44 N ATOM 0 H GLN A 7 9.184 17.478 0.776 1.00 24.15 H new ATOM 0 HA GLN A 7 7.793 17.079 -1.808 1.00 12.31 H new ATOM 0 HB2 GLN A 7 6.372 17.936 0.070 1.00 64.40 H new ATOM 0 HB3 GLN A 7 7.466 19.292 0.257 1.00 64.40 H new ATOM 0 HG2 GLN A 7 6.667 20.381 -1.582 1.00 21.03 H new ATOM 0 HG3 GLN A 7 6.427 18.904 -2.495 1.00 21.03 H new ATOM 0 HE21 GLN A 7 5.163 20.162 0.645 1.00 43.44 H new ATOM 0 HE22 GLN A 7 3.459 19.931 0.240 1.00 43.44 H new ATOM 120 N VAL A 8 10.450 18.632 -1.203 1.00 42.14 N ATOM 121 CA VAL A 8 11.526 19.453 -1.748 1.00 24.24 C ATOM 122 C VAL A 8 12.883 18.792 -1.534 1.00 30.32 C ATOM 123 O VAL A 8 12.992 17.784 -0.835 1.00 41.10 O ATOM 124 CB VAL A 8 11.542 20.853 -1.105 1.00 64.12 C ATOM 125 CG1 VAL A 8 10.249 21.593 -1.405 1.00 55.42 C ATOM 126 CG2 VAL A 8 11.771 20.748 0.395 1.00 61.31 C ATOM 0 H VAL A 8 10.723 18.049 -0.412 1.00 42.14 H new ATOM 0 HA VAL A 8 11.339 19.554 -2.817 1.00 24.24 H new ATOM 0 HB VAL A 8 12.366 21.422 -1.536 1.00 64.12 H new ATOM 0 HG11 VAL A 8 10.279 22.580 -0.943 1.00 55.42 H new ATOM 0 HG12 VAL A 8 10.133 21.701 -2.483 1.00 55.42 H new ATOM 0 HG13 VAL A 8 9.406 21.030 -1.004 1.00 55.42 H new ATOM 0 HG21 VAL A 8 11.779 21.746 0.833 1.00 61.31 H new ATOM 0 HG22 VAL A 8 10.970 20.161 0.845 1.00 61.31 H new ATOM 0 HG23 VAL A 8 12.728 20.261 0.584 1.00 61.31 H new ATOM 136 N SER A 9 13.917 19.367 -2.140 1.00 74.02 N ATOM 137 CA SER A 9 15.268 18.832 -2.020 1.00 32.32 C ATOM 138 C SER A 9 16.056 19.582 -0.950 1.00 31.32 C ATOM 139 O SER A 9 15.938 20.799 -0.814 1.00 73.35 O ATOM 140 CB SER A 9 15.997 18.922 -3.362 1.00 53.14 C ATOM 141 OG SER A 9 16.141 20.270 -3.775 1.00 1.04 O ATOM 0 H SER A 9 13.845 20.204 -2.719 1.00 74.02 H new ATOM 0 HA SER A 9 15.192 17.785 -1.725 1.00 32.32 H new ATOM 0 HB2 SER A 9 16.979 18.457 -3.278 1.00 53.14 H new ATOM 0 HB3 SER A 9 15.444 18.364 -4.118 1.00 53.14 H new ATOM 0 HG SER A 9 16.611 20.300 -4.634 1.00 1.04 H new ATOM 147 N GLY A 10 16.860 18.844 -0.191 1.00 21.34 N ATOM 148 CA GLY A 10 17.655 19.454 0.859 1.00 45.53 C ATOM 149 C GLY A 10 18.355 18.427 1.727 1.00 14.23 C ATOM 150 O GLY A 10 19.017 17.522 1.221 1.00 44.22 O ATOM 0 H GLY A 10 16.975 17.835 -0.284 1.00 21.34 H new ATOM 0 HA2 GLY A 10 18.398 20.114 0.411 1.00 45.53 H new ATOM 0 HA3 GLY A 10 17.012 20.075 1.483 1.00 45.53 H new ATOM 154 N VAL A 11 18.209 18.569 3.042 1.00 41.43 N ATOM 155 CA VAL A 11 18.832 17.647 3.983 1.00 25.13 C ATOM 156 C VAL A 11 17.947 17.428 5.205 1.00 20.11 C ATOM 157 O VAL A 11 17.306 18.359 5.695 1.00 61.11 O ATOM 158 CB VAL A 11 20.209 18.161 4.446 1.00 50.41 C ATOM 159 CG1 VAL A 11 20.996 18.712 3.266 1.00 14.42 C ATOM 160 CG2 VAL A 11 20.045 19.217 5.529 1.00 3.13 C ATOM 0 H VAL A 11 17.665 19.313 3.478 1.00 41.43 H new ATOM 0 HA VAL A 11 18.964 16.701 3.458 1.00 25.13 H new ATOM 0 HB VAL A 11 20.769 17.326 4.867 1.00 50.41 H new ATOM 0 HG11 VAL A 11 21.966 19.071 3.611 1.00 14.42 H new ATOM 0 HG12 VAL A 11 21.142 17.925 2.527 1.00 14.42 H new ATOM 0 HG13 VAL A 11 20.444 19.536 2.814 1.00 14.42 H new ATOM 0 HG21 VAL A 11 21.027 19.570 5.845 1.00 3.13 H new ATOM 0 HG22 VAL A 11 19.468 20.054 5.136 1.00 3.13 H new ATOM 0 HG23 VAL A 11 19.523 18.785 6.383 1.00 3.13 H new ATOM 170 N ILE A 12 17.917 16.192 5.694 1.00 2.21 N ATOM 171 CA ILE A 12 17.112 15.852 6.860 1.00 4.02 C ATOM 172 C ILE A 12 17.448 16.755 8.042 1.00 72.11 C ATOM 173 O ILE A 12 18.614 17.045 8.304 1.00 43.21 O ATOM 174 CB ILE A 12 17.317 14.383 7.275 1.00 1.03 C ATOM 175 CG1 ILE A 12 16.958 13.448 6.119 1.00 55.32 C ATOM 176 CG2 ILE A 12 16.481 14.059 8.505 1.00 53.04 C ATOM 177 CD1 ILE A 12 15.501 13.516 5.716 1.00 3.35 C ATOM 0 H ILE A 12 18.441 15.410 5.300 1.00 2.21 H new ATOM 0 HA ILE A 12 16.069 16.000 6.579 1.00 4.02 H new ATOM 0 HB ILE A 12 18.368 14.234 7.524 1.00 1.03 H new ATOM 0 HG12 ILE A 12 17.577 13.696 5.257 1.00 55.32 H new ATOM 0 HG13 ILE A 12 17.201 12.424 6.402 1.00 55.32 H new ATOM 0 HG21 ILE A 12 16.636 13.017 8.786 1.00 53.04 H new ATOM 0 HG22 ILE A 12 16.781 14.706 9.329 1.00 53.04 H new ATOM 0 HG23 ILE A 12 15.427 14.221 8.281 1.00 53.04 H new ATOM 0 HD11 ILE A 12 15.319 12.827 4.891 1.00 3.35 H new ATOM 0 HD12 ILE A 12 14.875 13.239 6.565 1.00 3.35 H new ATOM 0 HD13 ILE A 12 15.257 14.531 5.401 1.00 3.35 H new ATOM 189 N VAL A 13 16.415 17.195 8.755 1.00 21.51 N ATOM 190 CA VAL A 13 16.600 18.062 9.912 1.00 23.14 C ATOM 191 C VAL A 13 16.329 17.311 11.211 1.00 33.42 C ATOM 192 O VAL A 13 17.040 17.484 12.200 1.00 73.33 O ATOM 193 CB VAL A 13 15.678 19.294 9.843 1.00 2.22 C ATOM 194 CG1 VAL A 13 16.053 20.303 10.918 1.00 73.52 C ATOM 195 CG2 VAL A 13 15.740 19.928 8.461 1.00 33.42 C ATOM 0 H VAL A 13 15.442 16.965 8.551 1.00 21.51 H new ATOM 0 HA VAL A 13 17.639 18.393 9.897 1.00 23.14 H new ATOM 0 HB VAL A 13 14.653 18.970 10.024 1.00 2.22 H new ATOM 0 HG11 VAL A 13 15.391 21.166 10.854 1.00 73.52 H new ATOM 0 HG12 VAL A 13 15.953 19.842 11.901 1.00 73.52 H new ATOM 0 HG13 VAL A 13 17.084 20.625 10.771 1.00 73.52 H new ATOM 0 HG21 VAL A 13 15.083 20.797 8.430 1.00 33.42 H new ATOM 0 HG22 VAL A 13 16.763 20.239 8.249 1.00 33.42 H new ATOM 0 HG23 VAL A 13 15.419 19.203 7.713 1.00 33.42 H new ATOM 205 N ASN A 14 15.295 16.476 11.200 1.00 23.42 N ATOM 206 CA ASN A 14 14.930 15.696 12.379 1.00 54.52 C ATOM 207 C ASN A 14 13.820 14.703 12.050 1.00 72.41 C ATOM 208 O ASN A 14 13.156 14.814 11.019 1.00 62.35 O ATOM 209 CB ASN A 14 14.481 16.624 13.509 1.00 10.42 C ATOM 210 CG ASN A 14 14.734 16.029 14.881 1.00 43.21 C ATOM 211 OD1 ASN A 14 15.881 15.824 15.278 1.00 44.24 O ATOM 212 ND2 ASN A 14 13.662 15.748 15.611 1.00 64.40 N ATOM 0 H ASN A 14 14.695 16.322 10.389 1.00 23.42 H new ATOM 0 HA ASN A 14 15.809 15.138 12.703 1.00 54.52 H new ATOM 0 HB2 ASN A 14 15.008 17.575 13.426 1.00 10.42 H new ATOM 0 HB3 ASN A 14 13.418 16.838 13.399 1.00 10.42 H new ATOM 0 HD21 ASN A 14 13.770 15.345 16.542 1.00 64.40 H new ATOM 0 HD22 ASN A 14 12.730 15.935 15.241 1.00 64.40 H new ATOM 219 N LYS A 15 13.624 13.731 12.934 1.00 15.14 N ATOM 220 CA LYS A 15 12.593 12.717 12.742 1.00 33.34 C ATOM 221 C LYS A 15 11.549 12.785 13.852 1.00 52.11 C ATOM 222 O LYS A 15 11.885 12.958 15.024 1.00 35.14 O ATOM 223 CB LYS A 15 13.221 11.323 12.703 1.00 25.44 C ATOM 224 CG LYS A 15 13.853 10.903 14.020 1.00 42.33 C ATOM 225 CD LYS A 15 15.132 10.113 13.798 1.00 41.11 C ATOM 226 CE LYS A 15 14.857 8.795 13.089 1.00 14.53 C ATOM 227 NZ LYS A 15 16.116 8.085 12.730 1.00 1.55 N ATOM 0 H LYS A 15 14.166 13.624 13.791 1.00 15.14 H new ATOM 0 HA LYS A 15 12.099 12.913 11.790 1.00 33.34 H new ATOM 0 HB2 LYS A 15 12.456 10.597 12.429 1.00 25.44 H new ATOM 0 HB3 LYS A 15 13.980 11.297 11.921 1.00 25.44 H new ATOM 0 HG2 LYS A 15 14.070 11.788 14.619 1.00 42.33 H new ATOM 0 HG3 LYS A 15 13.145 10.299 14.588 1.00 42.33 H new ATOM 0 HD2 LYS A 15 15.830 10.707 13.207 1.00 41.11 H new ATOM 0 HD3 LYS A 15 15.612 9.918 14.757 1.00 41.11 H new ATOM 0 HE2 LYS A 15 14.251 8.157 13.732 1.00 14.53 H new ATOM 0 HE3 LYS A 15 14.276 8.983 12.186 1.00 14.53 H new ATOM 0 HZ1 LYS A 15 15.886 7.192 12.249 1.00 1.55 H new ATOM 0 HZ2 LYS A 15 16.683 8.683 12.096 1.00 1.55 H new ATOM 0 HZ3 LYS A 15 16.659 7.883 13.594 1.00 1.55 H new ATOM 241 N LEU A 16 10.283 12.645 13.476 1.00 11.30 N ATOM 242 CA LEU A 16 9.189 12.688 14.440 1.00 14.35 C ATOM 243 C LEU A 16 8.290 11.464 14.300 1.00 50.03 C ATOM 244 O LEU A 16 7.083 11.537 14.529 1.00 33.21 O ATOM 245 CB LEU A 16 8.365 13.963 14.250 1.00 51.44 C ATOM 246 CG LEU A 16 9.098 15.281 14.506 1.00 63.12 C ATOM 247 CD1 LEU A 16 10.123 15.543 13.413 1.00 0.24 C ATOM 248 CD2 LEU A 16 8.108 16.433 14.599 1.00 74.32 C ATOM 0 H LEU A 16 9.988 12.501 12.510 1.00 11.30 H new ATOM 0 HA LEU A 16 9.621 12.686 15.441 1.00 14.35 H new ATOM 0 HB2 LEU A 16 7.982 13.976 13.229 1.00 51.44 H new ATOM 0 HB3 LEU A 16 7.502 13.916 14.914 1.00 51.44 H new ATOM 0 HG LEU A 16 9.624 15.203 15.458 1.00 63.12 H new ATOM 0 HD11 LEU A 16 10.634 16.485 13.612 1.00 0.24 H new ATOM 0 HD12 LEU A 16 10.851 14.732 13.395 1.00 0.24 H new ATOM 0 HD13 LEU A 16 9.619 15.600 12.448 1.00 0.24 H new ATOM 0 HD21 LEU A 16 8.647 17.362 14.781 1.00 74.32 H new ATOM 0 HD22 LEU A 16 7.554 16.513 13.664 1.00 74.32 H new ATOM 0 HD23 LEU A 16 7.413 16.250 15.418 1.00 74.32 H new ATOM 260 N PHE A 17 8.889 10.338 13.925 1.00 74.31 N ATOM 261 CA PHE A 17 8.142 9.096 13.756 1.00 45.30 C ATOM 262 C PHE A 17 8.968 7.899 14.219 1.00 52.12 C ATOM 263 O PHE A 17 10.198 7.939 14.214 1.00 64.20 O ATOM 264 CB PHE A 17 7.737 8.915 12.292 1.00 44.33 C ATOM 265 CG PHE A 17 6.261 8.720 12.098 1.00 1.51 C ATOM 266 CD1 PHE A 17 5.368 9.732 12.413 1.00 32.51 C ATOM 267 CD2 PHE A 17 5.766 7.525 11.601 1.00 61.05 C ATOM 268 CE1 PHE A 17 4.009 9.555 12.236 1.00 75.10 C ATOM 269 CE2 PHE A 17 4.407 7.343 11.422 1.00 45.41 C ATOM 270 CZ PHE A 17 3.528 8.359 11.740 1.00 31.32 C ATOM 0 H PHE A 17 9.888 10.260 13.733 1.00 74.31 H new ATOM 0 HA PHE A 17 7.243 9.155 14.369 1.00 45.30 H new ATOM 0 HB2 PHE A 17 8.058 9.788 11.724 1.00 44.33 H new ATOM 0 HB3 PHE A 17 8.266 8.055 11.881 1.00 44.33 H new ATOM 0 HD1 PHE A 17 5.738 10.669 12.801 1.00 32.51 H new ATOM 0 HD2 PHE A 17 6.449 6.727 11.351 1.00 61.05 H new ATOM 0 HE1 PHE A 17 3.323 10.351 12.485 1.00 75.10 H new ATOM 0 HE2 PHE A 17 4.034 6.407 11.034 1.00 45.41 H new ATOM 0 HZ PHE A 17 2.466 8.219 11.601 1.00 31.32 H new ATOM 280 N LYS A 18 8.281 6.834 14.619 1.00 63.24 N ATOM 281 CA LYS A 18 8.948 5.624 15.084 1.00 62.35 C ATOM 282 C LYS A 18 8.337 4.384 14.441 1.00 13.03 C ATOM 283 O LYS A 18 7.126 4.172 14.507 1.00 43.33 O ATOM 284 CB LYS A 18 8.855 5.520 16.608 1.00 24.25 C ATOM 285 CG LYS A 18 8.825 6.867 17.309 1.00 1.11 C ATOM 286 CD LYS A 18 9.390 6.776 18.717 1.00 74.12 C ATOM 287 CE LYS A 18 9.558 8.154 19.340 1.00 44.24 C ATOM 288 NZ LYS A 18 8.297 8.637 19.967 1.00 50.43 N ATOM 0 H LYS A 18 7.262 6.785 14.630 1.00 63.24 H new ATOM 0 HA LYS A 18 9.997 5.683 14.793 1.00 62.35 H new ATOM 0 HB2 LYS A 18 7.956 4.963 16.872 1.00 24.25 H new ATOM 0 HB3 LYS A 18 9.705 4.947 16.977 1.00 24.25 H new ATOM 0 HG2 LYS A 18 9.399 7.591 16.732 1.00 1.11 H new ATOM 0 HG3 LYS A 18 7.799 7.234 17.351 1.00 1.11 H new ATOM 0 HD2 LYS A 18 8.727 6.173 19.338 1.00 74.12 H new ATOM 0 HD3 LYS A 18 10.354 6.267 18.691 1.00 74.12 H new ATOM 0 HE2 LYS A 18 10.347 8.119 20.091 1.00 44.24 H new ATOM 0 HE3 LYS A 18 9.877 8.862 18.575 1.00 44.24 H new ATOM 0 HZ1 LYS A 18 8.453 9.579 20.380 1.00 50.43 H new ATOM 0 HZ2 LYS A 18 7.550 8.695 19.245 1.00 50.43 H new ATOM 0 HZ3 LYS A 18 8.005 7.975 20.714 1.00 50.43 H new ATOM 302 N ALA A 19 9.181 3.566 13.822 1.00 70.34 N ATOM 303 CA ALA A 19 8.723 2.345 13.170 1.00 53.30 C ATOM 304 C ALA A 19 7.769 1.568 14.069 1.00 31.43 C ATOM 305 O ALA A 19 8.151 1.106 15.145 1.00 52.13 O ATOM 306 CB ALA A 19 9.911 1.477 12.782 1.00 55.33 C ATOM 0 H ALA A 19 10.186 3.726 13.758 1.00 70.34 H new ATOM 0 HA ALA A 19 8.181 2.626 12.267 1.00 53.30 H new ATOM 0 HB1 ALA A 19 9.555 0.569 12.296 1.00 55.33 H new ATOM 0 HB2 ALA A 19 10.555 2.027 12.096 1.00 55.33 H new ATOM 0 HB3 ALA A 19 10.476 1.213 13.676 1.00 55.33 H new ATOM 312 N GLY A 20 6.524 1.427 13.623 1.00 62.42 N ATOM 313 CA GLY A 20 5.534 0.704 14.401 1.00 11.24 C ATOM 314 C GLY A 20 4.480 1.621 14.991 1.00 71.33 C ATOM 315 O GLY A 20 3.829 1.275 15.978 1.00 4.43 O ATOM 0 H GLY A 20 6.183 1.800 12.737 1.00 62.42 H new ATOM 0 HA2 GLY A 20 5.051 -0.040 13.768 1.00 11.24 H new ATOM 0 HA3 GLY A 20 6.032 0.163 15.205 1.00 11.24 H new ATOM 319 N ASP A 21 4.312 2.791 14.387 1.00 13.14 N ATOM 320 CA ASP A 21 3.329 3.761 14.859 1.00 2.04 C ATOM 321 C ASP A 21 2.261 4.012 13.799 1.00 23.42 C ATOM 322 O ASP A 21 2.342 3.492 12.686 1.00 54.10 O ATOM 323 CB ASP A 21 4.016 5.076 15.231 1.00 63.22 C ATOM 324 CG ASP A 21 3.592 5.586 16.593 1.00 33.24 C ATOM 325 OD1 ASP A 21 2.407 5.954 16.747 1.00 23.34 O ATOM 326 OD2 ASP A 21 4.442 5.616 17.507 1.00 22.31 O ATOM 0 H ASP A 21 4.843 3.092 13.570 1.00 13.14 H new ATOM 0 HA ASP A 21 2.846 3.350 15.745 1.00 2.04 H new ATOM 0 HB2 ASP A 21 5.097 4.934 15.220 1.00 63.22 H new ATOM 0 HB3 ASP A 21 3.786 5.829 14.477 1.00 63.22 H new ATOM 331 N LYS A 22 1.261 4.812 14.153 1.00 23.20 N ATOM 332 CA LYS A 22 0.176 5.133 13.233 1.00 2.22 C ATOM 333 C LYS A 22 0.424 6.472 12.545 1.00 11.22 C ATOM 334 O LYS A 22 0.994 7.390 13.137 1.00 33.45 O ATOM 335 CB LYS A 22 -1.159 5.171 13.980 1.00 12.52 C ATOM 336 CG LYS A 22 -1.303 6.365 14.909 1.00 63.34 C ATOM 337 CD LYS A 22 -2.032 5.991 16.189 1.00 64.34 C ATOM 338 CE LYS A 22 -1.528 6.801 17.373 1.00 31.14 C ATOM 339 NZ LYS A 22 -0.597 6.014 18.228 1.00 15.44 N ATOM 0 H LYS A 22 1.179 5.250 15.071 1.00 23.20 H new ATOM 0 HA LYS A 22 0.137 4.355 12.471 1.00 2.22 H new ATOM 0 HB2 LYS A 22 -1.972 5.186 13.254 1.00 12.52 H new ATOM 0 HB3 LYS A 22 -1.267 4.255 14.560 1.00 12.52 H new ATOM 0 HG2 LYS A 22 -0.316 6.758 15.153 1.00 63.34 H new ATOM 0 HG3 LYS A 22 -1.846 7.161 14.399 1.00 63.34 H new ATOM 0 HD2 LYS A 22 -3.102 6.157 16.062 1.00 64.34 H new ATOM 0 HD3 LYS A 22 -1.896 4.928 16.389 1.00 64.34 H new ATOM 0 HE2 LYS A 22 -1.021 7.695 17.011 1.00 31.14 H new ATOM 0 HE3 LYS A 22 -2.376 7.135 17.971 1.00 31.14 H new ATOM 0 HZ1 LYS A 22 -0.529 6.457 19.166 1.00 15.44 H new ATOM 0 HZ2 LYS A 22 -0.956 5.043 18.329 1.00 15.44 H new ATOM 0 HZ3 LYS A 22 0.344 5.991 17.786 1.00 15.44 H new ATOM 353 N VAL A 23 -0.007 6.578 11.293 1.00 74.15 N ATOM 354 CA VAL A 23 0.166 7.806 10.526 1.00 61.42 C ATOM 355 C VAL A 23 -1.166 8.303 9.976 1.00 2.11 C ATOM 356 O VAL A 23 -2.040 7.510 9.625 1.00 75.12 O ATOM 357 CB VAL A 23 1.148 7.603 9.356 1.00 20.23 C ATOM 358 CG1 VAL A 23 0.931 6.246 8.705 1.00 24.44 C ATOM 359 CG2 VAL A 23 0.999 8.723 8.337 1.00 63.32 C ATOM 0 H VAL A 23 -0.479 5.828 10.788 1.00 74.15 H new ATOM 0 HA VAL A 23 0.574 8.551 11.209 1.00 61.42 H new ATOM 0 HB VAL A 23 2.165 7.631 9.748 1.00 20.23 H new ATOM 0 HG11 VAL A 23 1.634 6.121 7.881 1.00 24.44 H new ATOM 0 HG12 VAL A 23 1.092 5.459 9.442 1.00 24.44 H new ATOM 0 HG13 VAL A 23 -0.089 6.184 8.325 1.00 24.44 H new ATOM 0 HG21 VAL A 23 1.700 8.565 7.517 1.00 63.32 H new ATOM 0 HG22 VAL A 23 -0.019 8.728 7.948 1.00 63.32 H new ATOM 0 HG23 VAL A 23 1.210 9.680 8.815 1.00 63.32 H new ATOM 369 N LYS A 24 -1.315 9.621 9.902 1.00 20.13 N ATOM 370 CA LYS A 24 -2.540 10.226 9.394 1.00 45.23 C ATOM 371 C LYS A 24 -2.314 10.831 8.011 1.00 4.34 C ATOM 372 O LYS A 24 -1.204 11.246 7.677 1.00 13.12 O ATOM 373 CB LYS A 24 -3.040 11.304 10.358 1.00 31.35 C ATOM 374 CG LYS A 24 -4.035 12.266 9.733 1.00 1.41 C ATOM 375 CD LYS A 24 -5.369 11.590 9.462 1.00 64.12 C ATOM 376 CE LYS A 24 -6.054 12.180 8.239 1.00 1.11 C ATOM 377 NZ LYS A 24 -6.739 13.465 8.552 1.00 64.33 N ATOM 0 H LYS A 24 -0.601 10.291 10.188 1.00 20.13 H new ATOM 0 HA LYS A 24 -3.295 9.444 9.311 1.00 45.23 H new ATOM 0 HB2 LYS A 24 -3.505 10.823 11.219 1.00 31.35 H new ATOM 0 HB3 LYS A 24 -2.186 11.870 10.731 1.00 31.35 H new ATOM 0 HG2 LYS A 24 -4.186 13.117 10.397 1.00 1.41 H new ATOM 0 HG3 LYS A 24 -3.628 12.657 8.800 1.00 1.41 H new ATOM 0 HD2 LYS A 24 -5.213 10.522 9.313 1.00 64.12 H new ATOM 0 HD3 LYS A 24 -6.017 11.699 10.332 1.00 64.12 H new ATOM 0 HE2 LYS A 24 -5.316 12.344 7.453 1.00 1.11 H new ATOM 0 HE3 LYS A 24 -6.781 11.467 7.850 1.00 1.11 H new ATOM 0 HZ1 LYS A 24 -7.193 13.835 7.693 1.00 64.33 H new ATOM 0 HZ2 LYS A 24 -7.461 13.305 9.283 1.00 64.33 H new ATOM 0 HZ3 LYS A 24 -6.042 14.154 8.899 1.00 64.33 H new ATOM 391 N LYS A 25 -3.374 10.881 7.212 1.00 74.31 N ATOM 392 CA LYS A 25 -3.293 11.438 5.866 1.00 12.15 C ATOM 393 C LYS A 25 -3.023 12.938 5.915 1.00 12.44 C ATOM 394 O LYS A 25 -3.951 13.746 5.928 1.00 51.31 O ATOM 395 CB LYS A 25 -4.590 11.167 5.102 1.00 53.43 C ATOM 396 CG LYS A 25 -5.365 9.970 5.623 1.00 31.33 C ATOM 397 CD LYS A 25 -6.299 9.405 4.566 1.00 64.04 C ATOM 398 CE LYS A 25 -5.530 8.659 3.485 1.00 54.10 C ATOM 399 NZ LYS A 25 -6.324 8.527 2.231 1.00 22.54 N ATOM 0 H LYS A 25 -4.300 10.542 7.473 1.00 74.31 H new ATOM 0 HA LYS A 25 -2.465 10.954 5.347 1.00 12.15 H new ATOM 0 HB2 LYS A 25 -5.225 12.051 5.156 1.00 53.43 H new ATOM 0 HB3 LYS A 25 -4.355 11.007 4.050 1.00 53.43 H new ATOM 0 HG2 LYS A 25 -4.668 9.196 5.944 1.00 31.33 H new ATOM 0 HG3 LYS A 25 -5.942 10.263 6.500 1.00 31.33 H new ATOM 0 HD2 LYS A 25 -7.016 8.731 5.035 1.00 64.04 H new ATOM 0 HD3 LYS A 25 -6.871 10.215 4.114 1.00 64.04 H new ATOM 0 HE2 LYS A 25 -4.600 9.185 3.272 1.00 54.10 H new ATOM 0 HE3 LYS A 25 -5.259 7.668 3.850 1.00 54.10 H new ATOM 0 HZ1 LYS A 25 -5.766 8.013 1.519 1.00 22.54 H new ATOM 0 HZ2 LYS A 25 -7.200 8.003 2.428 1.00 22.54 H new ATOM 0 HZ3 LYS A 25 -6.561 9.473 1.869 1.00 22.54 H new ATOM 413 N GLY A 26 -1.745 13.305 5.940 1.00 21.11 N ATOM 414 CA GLY A 26 -1.376 14.708 5.985 1.00 73.43 C ATOM 415 C GLY A 26 -0.710 15.090 7.292 1.00 50.41 C ATOM 416 O GLY A 26 -0.655 16.268 7.645 1.00 33.15 O ATOM 0 H GLY A 26 -0.959 12.655 5.930 1.00 21.11 H new ATOM 0 HA2 GLY A 26 -0.701 14.930 5.158 1.00 73.43 H new ATOM 0 HA3 GLY A 26 -2.267 15.320 5.842 1.00 73.43 H new ATOM 420 N GLN A 27 -0.204 14.094 8.011 1.00 70.14 N ATOM 421 CA GLN A 27 0.459 14.333 9.287 1.00 45.43 C ATOM 422 C GLN A 27 1.968 14.453 9.101 1.00 42.12 C ATOM 423 O GLN A 27 2.537 13.896 8.161 1.00 33.00 O ATOM 424 CB GLN A 27 0.143 13.204 10.270 1.00 50.55 C ATOM 425 CG GLN A 27 1.255 12.177 10.395 1.00 4.43 C ATOM 426 CD GLN A 27 1.545 11.803 11.836 1.00 53.23 C ATOM 427 OE1 GLN A 27 0.867 10.773 12.327 1.00 74.35 O flip ATOM 428 NE2 GLN A 27 2.368 12.435 12.500 1.00 22.45 N flip ATOM 0 H GLN A 27 -0.240 13.114 7.732 1.00 70.14 H new ATOM 0 HA GLN A 27 0.084 15.273 9.692 1.00 45.43 H new ATOM 0 HB2 GLN A 27 -0.055 13.634 11.252 1.00 50.55 H new ATOM 0 HB3 GLN A 27 -0.770 12.701 9.952 1.00 50.55 H new ATOM 0 HG2 GLN A 27 0.981 11.280 9.839 1.00 4.43 H new ATOM 0 HG3 GLN A 27 2.162 12.571 9.936 1.00 4.43 H new ATOM 0 HE21 GLN A 27 2.866 13.220 12.081 1.00 22.45 H new ATOM 0 HE22 GLN A 27 2.551 12.173 13.469 1.00 22.45 H new ATOM 437 N THR A 28 2.615 15.184 10.004 1.00 11.23 N ATOM 438 CA THR A 28 4.058 15.379 9.940 1.00 51.22 C ATOM 439 C THR A 28 4.802 14.128 10.390 1.00 70.22 C ATOM 440 O THR A 28 4.334 13.395 11.262 1.00 61.42 O ATOM 441 CB THR A 28 4.503 16.569 10.810 1.00 63.42 C ATOM 442 OG1 THR A 28 3.383 17.415 11.094 1.00 1.23 O ATOM 443 CG2 THR A 28 5.589 17.374 10.112 1.00 61.34 C ATOM 0 H THR A 28 2.161 15.651 10.789 1.00 11.23 H new ATOM 0 HA THR A 28 4.303 15.589 8.899 1.00 51.22 H new ATOM 0 HB THR A 28 4.907 16.177 11.743 1.00 63.42 H new ATOM 0 HG1 THR A 28 3.674 18.168 11.649 1.00 1.23 H new ATOM 0 HG21 THR A 28 5.887 18.209 10.746 1.00 61.34 H new ATOM 0 HG22 THR A 28 6.452 16.735 9.924 1.00 61.34 H new ATOM 0 HG23 THR A 28 5.207 17.756 9.165 1.00 61.34 H new ATOM 451 N LEU A 29 5.964 13.888 9.791 1.00 72.00 N ATOM 452 CA LEU A 29 6.775 12.724 10.132 1.00 34.33 C ATOM 453 C LEU A 29 8.244 13.106 10.271 1.00 44.22 C ATOM 454 O LEU A 29 8.829 12.985 11.347 1.00 63.23 O ATOM 455 CB LEU A 29 6.616 11.638 9.067 1.00 54.25 C ATOM 456 CG LEU A 29 5.226 11.509 8.442 1.00 60.01 C ATOM 457 CD1 LEU A 29 5.291 10.694 7.159 1.00 21.01 C ATOM 458 CD2 LEU A 29 4.255 10.876 9.428 1.00 13.04 C ATOM 0 H LEU A 29 6.365 14.484 9.067 1.00 72.00 H new ATOM 0 HA LEU A 29 6.428 12.338 11.090 1.00 34.33 H new ATOM 0 HB2 LEU A 29 7.334 11.831 8.270 1.00 54.25 H new ATOM 0 HB3 LEU A 29 6.883 10.679 9.512 1.00 54.25 H new ATOM 0 HG LEU A 29 4.865 12.508 8.196 1.00 60.01 H new ATOM 0 HD11 LEU A 29 4.293 10.613 6.729 1.00 21.01 H new ATOM 0 HD12 LEU A 29 5.954 11.187 6.448 1.00 21.01 H new ATOM 0 HD13 LEU A 29 5.673 9.697 7.380 1.00 21.01 H new ATOM 0 HD21 LEU A 29 3.271 10.792 8.967 1.00 13.04 H new ATOM 0 HD22 LEU A 29 4.612 9.884 9.704 1.00 13.04 H new ATOM 0 HD23 LEU A 29 4.185 11.498 10.320 1.00 13.04 H new ATOM 470 N PHE A 30 8.836 13.571 9.174 1.00 34.22 N ATOM 471 CA PHE A 30 10.237 13.972 9.174 1.00 52.24 C ATOM 472 C PHE A 30 10.379 15.450 8.822 1.00 25.44 C ATOM 473 O PHE A 30 9.386 16.151 8.632 1.00 44.42 O ATOM 474 CB PHE A 30 11.032 13.122 8.181 1.00 24.52 C ATOM 475 CG PHE A 30 11.100 11.669 8.555 1.00 31.44 C ATOM 476 CD1 PHE A 30 10.034 10.822 8.294 1.00 24.40 C ATOM 477 CD2 PHE A 30 12.227 11.148 9.170 1.00 43.50 C ATOM 478 CE1 PHE A 30 10.093 9.485 8.637 1.00 31.54 C ATOM 479 CE2 PHE A 30 12.291 9.812 9.516 1.00 45.23 C ATOM 480 CZ PHE A 30 11.223 8.979 9.249 1.00 74.30 C ATOM 0 H PHE A 30 8.366 13.679 8.275 1.00 34.22 H new ATOM 0 HA PHE A 30 10.634 13.815 10.177 1.00 52.24 H new ATOM 0 HB2 PHE A 30 10.580 13.214 7.193 1.00 24.52 H new ATOM 0 HB3 PHE A 30 12.045 13.517 8.106 1.00 24.52 H new ATOM 0 HD1 PHE A 30 9.147 11.212 7.817 1.00 24.40 H new ATOM 0 HD2 PHE A 30 13.066 11.794 9.382 1.00 43.50 H new ATOM 0 HE1 PHE A 30 9.256 8.836 8.427 1.00 31.54 H new ATOM 0 HE2 PHE A 30 13.176 9.420 9.995 1.00 45.23 H new ATOM 0 HZ PHE A 30 11.271 7.934 9.518 1.00 74.30 H new ATOM 490 N ILE A 31 11.622 15.916 8.739 1.00 35.53 N ATOM 491 CA ILE A 31 11.894 17.309 8.411 1.00 54.24 C ATOM 492 C ILE A 31 13.117 17.431 7.508 1.00 41.51 C ATOM 493 O ILE A 31 14.053 16.637 7.602 1.00 1.45 O ATOM 494 CB ILE A 31 12.119 18.153 9.679 1.00 2.11 C ATOM 495 CG1 ILE A 31 11.024 17.867 10.709 1.00 52.05 C ATOM 496 CG2 ILE A 31 12.154 19.633 9.330 1.00 22.24 C ATOM 497 CD1 ILE A 31 10.982 18.871 11.840 1.00 54.53 C ATOM 0 H ILE A 31 12.455 15.349 8.895 1.00 35.53 H new ATOM 0 HA ILE A 31 11.017 17.687 7.885 1.00 54.24 H new ATOM 0 HB ILE A 31 13.080 17.880 10.114 1.00 2.11 H new ATOM 0 HG12 ILE A 31 10.057 17.857 10.206 1.00 52.05 H new ATOM 0 HG13 ILE A 31 11.178 16.871 11.124 1.00 52.05 H new ATOM 0 HG21 ILE A 31 12.314 20.217 10.236 1.00 22.24 H new ATOM 0 HG22 ILE A 31 12.967 19.822 8.629 1.00 22.24 H new ATOM 0 HG23 ILE A 31 11.207 19.922 8.875 1.00 22.24 H new ATOM 0 HD11 ILE A 31 10.182 18.606 12.532 1.00 54.53 H new ATOM 0 HD12 ILE A 31 11.936 18.865 12.368 1.00 54.53 H new ATOM 0 HD13 ILE A 31 10.798 19.866 11.436 1.00 54.53 H new ATOM 509 N ILE A 32 13.103 18.433 6.634 1.00 32.25 N ATOM 510 CA ILE A 32 14.212 18.662 5.717 1.00 20.12 C ATOM 511 C ILE A 32 14.439 20.153 5.489 1.00 71.35 C ATOM 512 O ILE A 32 13.487 20.919 5.344 1.00 43.30 O ATOM 513 CB ILE A 32 13.970 17.977 4.360 1.00 44.04 C ATOM 514 CG1 ILE A 32 14.182 16.466 4.480 1.00 4.44 C ATOM 515 CG2 ILE A 32 14.890 18.563 3.298 1.00 24.44 C ATOM 516 CD1 ILE A 32 13.569 15.677 3.345 1.00 0.00 C ATOM 0 H ILE A 32 12.336 19.099 6.542 1.00 32.25 H new ATOM 0 HA ILE A 32 15.099 18.229 6.180 1.00 20.12 H new ATOM 0 HB ILE A 32 12.938 18.157 4.059 1.00 44.04 H new ATOM 0 HG12 ILE A 32 15.252 16.260 4.519 1.00 4.44 H new ATOM 0 HG13 ILE A 32 13.756 16.121 5.422 1.00 4.44 H new ATOM 0 HG21 ILE A 32 14.707 18.068 2.344 1.00 24.44 H new ATOM 0 HG22 ILE A 32 14.695 19.631 3.196 1.00 24.44 H new ATOM 0 HG23 ILE A 32 15.928 18.411 3.592 1.00 24.44 H new ATOM 0 HD11 ILE A 32 13.759 14.614 3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 32 12.494 15.853 3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.012 15.994 2.401 1.00 0.00 H new ATOM 528 N GLU A 33 15.706 20.555 5.457 1.00 55.10 N ATOM 529 CA GLU A 33 16.056 21.955 5.245 1.00 74.42 C ATOM 530 C GLU A 33 16.563 22.178 3.823 1.00 12.40 C ATOM 531 O GLU A 33 17.334 21.378 3.295 1.00 35.03 O ATOM 532 CB GLU A 33 17.119 22.395 6.253 1.00 44.15 C ATOM 533 CG GLU A 33 17.890 23.631 5.822 1.00 4.33 C ATOM 534 CD GLU A 33 19.189 23.294 5.116 1.00 24.32 C ATOM 535 OE1 GLU A 33 20.045 22.628 5.735 1.00 32.50 O ATOM 536 OE2 GLU A 33 19.349 23.696 3.945 1.00 4.13 O ATOM 0 H GLU A 33 16.505 19.933 5.575 1.00 55.10 H new ATOM 0 HA GLU A 33 15.158 22.555 5.390 1.00 74.42 H new ATOM 0 HB2 GLU A 33 16.639 22.592 7.212 1.00 44.15 H new ATOM 0 HB3 GLU A 33 17.820 21.576 6.410 1.00 44.15 H new ATOM 0 HG2 GLU A 33 17.266 24.231 5.159 1.00 4.33 H new ATOM 0 HG3 GLU A 33 18.105 24.243 6.698 1.00 4.33 H new ATOM 543 N GLN A 34 16.122 23.273 3.210 1.00 20.14 N ATOM 544 CA GLN A 34 16.530 23.602 1.849 1.00 40.31 C ATOM 545 C GLN A 34 16.904 25.076 1.734 1.00 33.35 C ATOM 546 O GLN A 34 16.961 25.792 2.735 1.00 61.40 O ATOM 547 CB GLN A 34 15.407 23.270 0.864 1.00 64.12 C ATOM 548 CG GLN A 34 14.088 23.949 1.193 1.00 25.03 C ATOM 549 CD GLN A 34 13.447 23.398 2.452 1.00 73.45 C ATOM 550 OE1 GLN A 34 12.968 24.150 3.299 1.00 13.23 O ATOM 551 NE2 GLN A 34 13.433 22.076 2.579 1.00 23.43 N ATOM 0 H GLN A 34 15.483 23.946 3.634 1.00 20.14 H new ATOM 0 HA GLN A 34 17.408 23.004 1.604 1.00 40.31 H new ATOM 0 HB2 GLN A 34 15.717 23.563 -0.139 1.00 64.12 H new ATOM 0 HB3 GLN A 34 15.256 22.191 0.848 1.00 64.12 H new ATOM 0 HG2 GLN A 34 14.255 25.019 1.313 1.00 25.03 H new ATOM 0 HG3 GLN A 34 13.401 23.825 0.356 1.00 25.03 H new ATOM 0 HE21 GLN A 34 13.842 21.489 1.852 1.00 23.43 H new ATOM 0 HE22 GLN A 34 13.013 21.647 3.404 1.00 23.43 H new ATOM 701 N SER A 44 10.784 34.652 1.118 1.00 52.34 N ATOM 702 CA SER A 44 10.997 35.140 2.475 1.00 50.40 C ATOM 703 C SER A 44 9.691 35.143 3.262 1.00 22.54 C ATOM 704 O SER A 44 8.609 34.992 2.695 1.00 11.25 O ATOM 705 CB SER A 44 11.591 36.550 2.445 1.00 31.43 C ATOM 706 OG SER A 44 11.520 37.160 3.723 1.00 75.05 O ATOM 0 HA SER A 44 11.698 34.468 2.971 1.00 50.40 H new ATOM 0 HB2 SER A 44 12.630 36.504 2.118 1.00 31.43 H new ATOM 0 HB3 SER A 44 11.054 37.159 1.717 1.00 31.43 H new ATOM 0 HG SER A 44 11.907 38.059 3.678 1.00 75.05 H new ATOM 712 N LYS A 45 9.800 35.314 4.576 1.00 50.30 N ATOM 713 CA LYS A 45 8.628 35.337 5.444 1.00 4.34 C ATOM 714 C LYS A 45 7.695 36.484 5.068 1.00 63.22 C ATOM 715 O LYS A 45 6.541 36.261 4.704 1.00 14.23 O ATOM 716 CB LYS A 45 9.056 35.474 6.908 1.00 51.22 C ATOM 717 CG LYS A 45 9.988 34.370 7.375 1.00 63.31 C ATOM 718 CD LYS A 45 11.443 34.806 7.319 1.00 33.30 C ATOM 719 CE LYS A 45 12.330 33.714 6.743 1.00 25.14 C ATOM 720 NZ LYS A 45 11.975 33.398 5.331 1.00 23.54 N ATOM 0 H LYS A 45 10.688 35.439 5.063 1.00 50.30 H new ATOM 0 HA LYS A 45 8.091 34.397 5.314 1.00 4.34 H new ATOM 0 HB2 LYS A 45 9.549 36.436 7.045 1.00 51.22 H new ATOM 0 HB3 LYS A 45 8.167 35.479 7.539 1.00 51.22 H new ATOM 0 HG2 LYS A 45 9.732 34.084 8.395 1.00 63.31 H new ATOM 0 HG3 LYS A 45 9.848 33.487 6.752 1.00 63.31 H new ATOM 0 HD2 LYS A 45 11.531 35.706 6.711 1.00 33.30 H new ATOM 0 HD3 LYS A 45 11.786 35.064 8.321 1.00 33.30 H new ATOM 0 HE2 LYS A 45 13.372 34.028 6.794 1.00 25.14 H new ATOM 0 HE3 LYS A 45 12.239 32.814 7.351 1.00 25.14 H new ATOM 0 HZ1 LYS A 45 12.520 32.571 5.013 1.00 23.54 H new ATOM 0 HZ2 LYS A 45 10.958 33.188 5.267 1.00 23.54 H new ATOM 0 HZ3 LYS A 45 12.199 34.214 4.726 1.00 23.54 H new ATOM 734 N ALA A 46 8.203 37.709 5.155 1.00 62.50 N ATOM 735 CA ALA A 46 7.415 38.888 4.820 1.00 20.22 C ATOM 736 C ALA A 46 8.263 40.153 4.890 1.00 64.33 C ATOM 737 O ALA A 46 9.482 40.087 5.052 1.00 22.44 O ATOM 738 CB ALA A 46 6.215 39.002 5.750 1.00 42.43 C ATOM 0 H ALA A 46 9.157 37.910 5.455 1.00 62.50 H new ATOM 0 HA ALA A 46 7.058 38.778 3.796 1.00 20.22 H new ATOM 0 HB1 ALA A 46 5.635 39.887 5.489 1.00 42.43 H new ATOM 0 HB2 ALA A 46 5.590 38.115 5.648 1.00 42.43 H new ATOM 0 HB3 ALA A 46 6.560 39.086 6.781 1.00 42.43 H new ATOM 744 N LEU A 47 7.612 41.303 4.765 1.00 40.53 N ATOM 745 CA LEU A 47 8.308 42.586 4.813 1.00 73.52 C ATOM 746 C LEU A 47 7.753 43.464 5.931 1.00 63.05 C ATOM 747 O LEU A 47 7.469 44.644 5.723 1.00 3.20 O ATOM 748 CB LEU A 47 8.181 43.308 3.470 1.00 24.13 C ATOM 749 CG LEU A 47 8.749 42.571 2.256 1.00 1.14 C ATOM 750 CD1 LEU A 47 7.624 42.054 1.372 1.00 1.33 C ATOM 751 CD2 LEU A 47 9.676 43.482 1.465 1.00 33.32 C ATOM 0 H LEU A 47 6.604 41.375 4.630 1.00 40.53 H new ATOM 0 HA LEU A 47 9.361 42.394 5.016 1.00 73.52 H new ATOM 0 HB2 LEU A 47 7.126 43.509 3.287 1.00 24.13 H new ATOM 0 HB3 LEU A 47 8.680 44.273 3.550 1.00 24.13 H new ATOM 0 HG LEU A 47 9.327 41.717 2.610 1.00 1.14 H new ATOM 0 HD11 LEU A 47 8.047 41.532 0.513 1.00 1.33 H new ATOM 0 HD12 LEU A 47 6.999 41.367 1.943 1.00 1.33 H new ATOM 0 HD13 LEU A 47 7.019 42.892 1.026 1.00 1.33 H new ATOM 0 HD21 LEU A 47 10.071 42.941 0.605 1.00 33.32 H new ATOM 0 HD22 LEU A 47 9.122 44.355 1.121 1.00 33.32 H new ATOM 0 HD23 LEU A 47 10.501 43.803 2.101 1.00 33.32 H new ATOM 763 N PHE A 48 7.605 42.882 7.116 1.00 72.04 N ATOM 764 CA PHE A 48 7.086 43.612 8.266 1.00 32.32 C ATOM 765 C PHE A 48 5.779 44.318 7.917 1.00 11.05 C ATOM 766 O PHE A 48 5.697 45.546 7.952 1.00 75.12 O ATOM 767 CB PHE A 48 8.115 44.632 8.756 1.00 32.13 C ATOM 768 CG PHE A 48 9.512 44.084 8.831 1.00 4.22 C ATOM 769 CD1 PHE A 48 9.851 43.143 9.790 1.00 52.53 C ATOM 770 CD2 PHE A 48 10.486 44.512 7.944 1.00 53.15 C ATOM 771 CE1 PHE A 48 11.135 42.637 9.861 1.00 3.12 C ATOM 772 CE2 PHE A 48 11.772 44.010 8.010 1.00 54.12 C ATOM 773 CZ PHE A 48 12.097 43.072 8.970 1.00 1.15 C ATOM 0 H PHE A 48 7.837 41.907 7.305 1.00 72.04 H new ATOM 0 HA PHE A 48 6.889 42.894 9.062 1.00 32.32 H new ATOM 0 HB2 PHE A 48 8.107 45.494 8.089 1.00 32.13 H new ATOM 0 HB3 PHE A 48 7.820 44.989 9.743 1.00 32.13 H new ATOM 0 HD1 PHE A 48 9.103 42.801 10.490 1.00 52.53 H new ATOM 0 HD2 PHE A 48 10.238 45.246 7.192 1.00 53.15 H new ATOM 0 HE1 PHE A 48 11.386 41.903 10.612 1.00 3.12 H new ATOM 0 HE2 PHE A 48 12.522 44.351 7.312 1.00 54.12 H new ATOM 0 HZ PHE A 48 13.102 42.679 9.024 1.00 1.15 H new ATOM 783 N SER A 49 4.760 43.533 7.582 1.00 14.54 N ATOM 784 CA SER A 49 3.458 44.084 7.223 1.00 21.54 C ATOM 785 C SER A 49 2.965 45.054 8.292 1.00 14.23 C ATOM 786 O SER A 49 2.869 46.258 8.056 1.00 64.15 O ATOM 787 CB SER A 49 2.440 42.957 7.031 1.00 14.44 C ATOM 788 OG SER A 49 1.365 43.376 6.209 1.00 44.25 O ATOM 0 H SER A 49 4.810 42.515 7.552 1.00 14.54 H new ATOM 0 HA SER A 49 3.567 44.629 6.286 1.00 21.54 H new ATOM 0 HB2 SER A 49 2.930 42.093 6.582 1.00 14.44 H new ATOM 0 HB3 SER A 49 2.058 42.639 8.001 1.00 14.44 H new ATOM 0 HG SER A 49 0.729 42.638 6.100 1.00 44.25 H new ATOM 794 N GLN A 50 2.652 44.520 9.468 1.00 1.42 N ATOM 795 CA GLN A 50 2.167 45.338 10.573 1.00 11.13 C ATOM 796 C GLN A 50 2.963 45.063 11.844 1.00 3.14 C ATOM 797 O GLN A 50 3.427 45.988 12.511 1.00 63.33 O ATOM 798 CB GLN A 50 0.681 45.071 10.821 1.00 63.41 C ATOM 799 CG GLN A 50 0.331 43.592 10.881 1.00 11.45 C ATOM 800 CD GLN A 50 -1.164 43.349 10.937 1.00 13.33 C ATOM 801 OE1 GLN A 50 -1.892 43.671 9.998 1.00 70.43 O ATOM 802 NE2 GLN A 50 -1.631 42.779 12.042 1.00 70.24 N ATOM 0 H GLN A 50 2.726 43.525 9.680 1.00 1.42 H new ATOM 0 HA GLN A 50 2.300 46.385 10.301 1.00 11.13 H new ATOM 0 HB2 GLN A 50 0.387 45.544 11.758 1.00 63.41 H new ATOM 0 HB3 GLN A 50 0.098 45.542 10.029 1.00 63.41 H new ATOM 0 HG2 GLN A 50 0.745 43.089 10.007 1.00 11.45 H new ATOM 0 HG3 GLN A 50 0.801 43.146 11.758 1.00 11.45 H new ATOM 0 HE21 GLN A 50 -0.991 42.528 12.796 1.00 70.24 H new ATOM 0 HE22 GLN A 50 -2.629 42.592 12.137 1.00 70.24 H new ATOM 811 N SER A 51 3.118 43.785 12.175 1.00 62.11 N ATOM 812 CA SER A 51 3.855 43.387 13.369 1.00 4.32 C ATOM 813 C SER A 51 3.901 41.868 13.498 1.00 2.11 C ATOM 814 O SER A 51 3.249 41.288 14.367 1.00 61.04 O ATOM 815 CB SER A 51 3.214 43.998 14.617 1.00 10.00 C ATOM 816 OG SER A 51 1.801 44.014 14.508 1.00 61.11 O ATOM 0 H SER A 51 2.743 43.007 11.633 1.00 62.11 H new ATOM 0 HA SER A 51 4.876 43.757 13.276 1.00 4.32 H new ATOM 0 HB2 SER A 51 3.508 43.427 15.497 1.00 10.00 H new ATOM 0 HB3 SER A 51 3.583 45.014 14.759 1.00 10.00 H new ATOM 0 HG SER A 51 1.415 44.408 15.318 1.00 61.11 H new ATOM 822 N ALA A 52 4.677 41.230 12.628 1.00 21.33 N ATOM 823 CA ALA A 52 4.810 39.778 12.645 1.00 21.24 C ATOM 824 C ALA A 52 6.129 39.355 13.285 1.00 10.31 C ATOM 825 O ALA A 52 6.249 38.246 13.806 1.00 41.51 O ATOM 826 CB ALA A 52 4.704 39.221 11.234 1.00 53.21 C ATOM 0 H ALA A 52 5.223 41.695 11.903 1.00 21.33 H new ATOM 0 HA ALA A 52 3.997 39.371 13.246 1.00 21.24 H new ATOM 0 HB1 ALA A 52 4.805 38.136 11.263 1.00 53.21 H new ATOM 0 HB2 ALA A 52 3.735 39.484 10.811 1.00 53.21 H new ATOM 0 HB3 ALA A 52 5.496 39.643 10.616 1.00 53.21 H new ATOM 832 N ILE A 53 7.114 40.246 13.242 1.00 72.05 N ATOM 833 CA ILE A 53 8.423 39.965 13.817 1.00 1.11 C ATOM 834 C ILE A 53 9.022 41.213 14.458 1.00 73.13 C ATOM 835 O ILE A 53 9.043 42.284 13.853 1.00 42.24 O ATOM 836 CB ILE A 53 9.401 39.427 12.757 1.00 64.15 C ATOM 837 CG1 ILE A 53 8.848 38.148 12.124 1.00 30.22 C ATOM 838 CG2 ILE A 53 10.767 39.170 13.375 1.00 33.04 C ATOM 839 CD1 ILE A 53 9.658 37.658 10.944 1.00 42.51 C ATOM 0 H ILE A 53 7.030 41.168 12.815 1.00 72.05 H new ATOM 0 HA ILE A 53 8.274 39.202 14.581 1.00 1.11 H new ATOM 0 HB ILE A 53 9.514 40.178 11.976 1.00 64.15 H new ATOM 0 HG12 ILE A 53 8.812 37.364 12.880 1.00 30.22 H new ATOM 0 HG13 ILE A 53 7.822 38.326 11.801 1.00 30.22 H new ATOM 0 HG21 ILE A 53 11.446 38.790 12.612 1.00 33.04 H new ATOM 0 HG22 ILE A 53 11.163 40.100 13.782 1.00 33.04 H new ATOM 0 HG23 ILE A 53 10.672 38.435 14.175 1.00 33.04 H new ATOM 0 HD11 ILE A 53 9.208 36.749 10.546 1.00 42.51 H new ATOM 0 HD12 ILE A 53 9.673 38.425 10.169 1.00 42.51 H new ATOM 0 HD13 ILE A 53 10.678 37.447 11.265 1.00 42.51 H new ATOM 851 N SER A 54 9.509 41.065 15.686 1.00 70.13 N ATOM 852 CA SER A 54 10.107 42.180 16.410 1.00 11.21 C ATOM 853 C SER A 54 11.496 42.498 15.867 1.00 42.42 C ATOM 854 O SER A 54 12.503 42.261 16.534 1.00 45.35 O ATOM 855 CB SER A 54 10.191 41.859 17.903 1.00 5.12 C ATOM 856 OG SER A 54 10.769 40.583 18.119 1.00 52.02 O ATOM 0 H SER A 54 9.501 40.184 16.200 1.00 70.13 H new ATOM 0 HA SER A 54 9.473 43.055 16.269 1.00 11.21 H new ATOM 0 HB2 SER A 54 10.784 42.621 18.409 1.00 5.12 H new ATOM 0 HB3 SER A 54 9.193 41.889 18.341 1.00 5.12 H new ATOM 0 HG SER A 54 11.636 40.535 17.665 1.00 52.02 H new ATOM 862 N GLN A 55 11.541 43.037 14.653 1.00 23.01 N ATOM 863 CA GLN A 55 12.806 43.387 14.019 1.00 65.12 C ATOM 864 C GLN A 55 13.678 44.211 14.962 1.00 53.03 C ATOM 865 O GLN A 55 14.902 44.231 14.834 1.00 1.22 O ATOM 866 CB GLN A 55 12.556 44.164 12.726 1.00 51.31 C ATOM 867 CG GLN A 55 12.188 45.621 12.954 1.00 13.34 C ATOM 868 CD GLN A 55 13.398 46.535 12.962 1.00 12.21 C ATOM 869 OE1 GLN A 55 13.810 47.029 14.013 1.00 55.35 O ATOM 870 NE2 GLN A 55 13.974 46.765 11.789 1.00 64.52 N ATOM 0 H GLN A 55 10.716 43.241 14.089 1.00 23.01 H new ATOM 0 HA GLN A 55 13.332 42.462 13.782 1.00 65.12 H new ATOM 0 HB2 GLN A 55 13.450 44.117 12.105 1.00 51.31 H new ATOM 0 HB3 GLN A 55 11.755 43.678 12.169 1.00 51.31 H new ATOM 0 HG2 GLN A 55 11.499 45.944 12.174 1.00 13.34 H new ATOM 0 HG3 GLN A 55 11.661 45.714 13.903 1.00 13.34 H new ATOM 0 HE21 GLN A 55 13.599 46.335 10.944 1.00 64.52 H new ATOM 0 HE22 GLN A 55 14.792 47.372 11.733 1.00 64.52 H new ATOM 879 N LYS A 56 13.038 44.891 15.907 1.00 51.04 N ATOM 880 CA LYS A 56 13.754 45.718 16.872 1.00 33.45 C ATOM 881 C LYS A 56 14.977 44.986 17.414 1.00 22.40 C ATOM 882 O LYS A 56 16.035 45.584 17.603 1.00 63.04 O ATOM 883 CB LYS A 56 12.827 46.107 18.027 1.00 61.15 C ATOM 884 CG LYS A 56 11.924 44.977 18.490 1.00 61.25 C ATOM 885 CD LYS A 56 11.164 45.352 19.751 1.00 74.25 C ATOM 886 CE LYS A 56 9.710 45.682 19.448 1.00 72.32 C ATOM 887 NZ LYS A 56 8.851 45.564 20.657 1.00 30.33 N ATOM 0 H LYS A 56 12.025 44.886 16.026 1.00 51.04 H new ATOM 0 HA LYS A 56 14.089 46.621 16.362 1.00 33.45 H new ATOM 0 HB2 LYS A 56 13.431 46.446 18.868 1.00 61.15 H new ATOM 0 HB3 LYS A 56 12.210 46.951 17.718 1.00 61.15 H new ATOM 0 HG2 LYS A 56 11.217 44.727 17.699 1.00 61.25 H new ATOM 0 HG3 LYS A 56 12.522 44.085 18.676 1.00 61.25 H new ATOM 0 HD2 LYS A 56 11.210 44.528 20.464 1.00 74.25 H new ATOM 0 HD3 LYS A 56 11.642 46.210 20.224 1.00 74.25 H new ATOM 0 HE2 LYS A 56 9.643 46.695 19.052 1.00 72.32 H new ATOM 0 HE3 LYS A 56 9.340 45.012 18.673 1.00 72.32 H new ATOM 0 HZ1 LYS A 56 7.868 45.797 20.409 1.00 30.33 H new ATOM 0 HZ2 LYS A 56 8.895 44.591 21.020 1.00 30.33 H new ATOM 0 HZ3 LYS A 56 9.188 46.222 21.388 1.00 30.33 H new ATOM 901 N GLU A 57 14.825 43.688 17.659 1.00 13.12 N ATOM 902 CA GLU A 57 15.918 42.876 18.179 1.00 61.31 C ATOM 903 C GLU A 57 15.758 41.417 17.761 1.00 61.43 C ATOM 904 O GLU A 57 16.321 40.516 18.385 1.00 14.10 O ATOM 905 CB GLU A 57 15.980 42.977 19.704 1.00 11.21 C ATOM 906 CG GLU A 57 16.168 44.397 20.213 1.00 51.02 C ATOM 907 CD GLU A 57 16.542 44.446 21.681 1.00 63.33 C ATOM 908 OE1 GLU A 57 15.934 43.694 22.472 1.00 5.53 O ATOM 909 OE2 GLU A 57 17.441 45.235 22.039 1.00 43.00 O ATOM 0 H GLU A 57 13.956 43.177 17.506 1.00 13.12 H new ATOM 0 HA GLU A 57 16.849 43.257 17.760 1.00 61.31 H new ATOM 0 HB2 GLU A 57 15.061 42.568 20.124 1.00 11.21 H new ATOM 0 HB3 GLU A 57 16.800 42.358 20.068 1.00 11.21 H new ATOM 0 HG2 GLU A 57 16.945 44.889 19.628 1.00 51.02 H new ATOM 0 HG3 GLU A 57 15.247 44.959 20.058 1.00 51.02 H new ATOM 916 N TYR A 58 14.987 41.191 16.704 1.00 44.45 N ATOM 917 CA TYR A 58 14.750 39.843 16.204 1.00 74.41 C ATOM 918 C TYR A 58 16.065 39.147 15.867 1.00 44.03 C ATOM 919 O TYR A 58 17.144 39.707 16.061 1.00 71.33 O ATOM 920 CB TYR A 58 13.851 39.884 14.967 1.00 51.52 C ATOM 921 CG TYR A 58 14.595 40.202 13.688 1.00 33.31 C ATOM 922 CD1 TYR A 58 15.564 41.196 13.654 1.00 30.32 C ATOM 923 CD2 TYR A 58 14.328 39.505 12.516 1.00 44.51 C ATOM 924 CE1 TYR A 58 16.245 41.489 12.488 1.00 63.02 C ATOM 925 CE2 TYR A 58 15.006 39.791 11.347 1.00 75.15 C ATOM 926 CZ TYR A 58 15.962 40.784 11.337 1.00 63.30 C ATOM 927 OH TYR A 58 16.640 41.071 10.174 1.00 0.21 O ATOM 0 H TYR A 58 14.515 41.925 16.176 1.00 44.45 H new ATOM 0 HA TYR A 58 14.250 39.276 16.989 1.00 74.41 H new ATOM 0 HB2 TYR A 58 13.353 38.921 14.858 1.00 51.52 H new ATOM 0 HB3 TYR A 58 13.071 40.630 15.119 1.00 51.52 H new ATOM 0 HD1 TYR A 58 15.789 41.749 14.554 1.00 30.32 H new ATOM 0 HD2 TYR A 58 13.579 38.727 12.519 1.00 44.51 H new ATOM 0 HE1 TYR A 58 16.995 42.266 12.478 1.00 63.02 H new ATOM 0 HE2 TYR A 58 14.788 39.239 10.445 1.00 75.15 H new ATOM 0 HH TYR A 58 16.322 40.484 9.457 1.00 0.21 H new ATOM 937 N ASP A 59 15.967 37.923 15.361 1.00 72.34 N ATOM 938 CA ASP A 59 17.148 37.150 14.994 1.00 71.31 C ATOM 939 C ASP A 59 17.159 36.849 13.499 1.00 54.34 C ATOM 940 O ASP A 59 16.241 36.217 12.975 1.00 22.30 O ATOM 941 CB ASP A 59 17.195 35.843 15.789 1.00 43.24 C ATOM 942 CG ASP A 59 18.365 35.794 16.752 1.00 11.51 C ATOM 943 OD1 ASP A 59 19.499 36.099 16.325 1.00 70.50 O ATOM 944 OD2 ASP A 59 18.147 35.453 17.933 1.00 70.50 O ATOM 0 H ASP A 59 15.082 37.444 15.195 1.00 72.34 H new ATOM 0 HA ASP A 59 18.029 37.745 15.233 1.00 71.31 H new ATOM 0 HB2 ASP A 59 16.265 35.726 16.345 1.00 43.24 H new ATOM 0 HB3 ASP A 59 17.261 35.003 15.098 1.00 43.24 H new ATOM 949 N SER A 60 18.201 37.310 12.814 1.00 25.45 N ATOM 950 CA SER A 60 18.329 37.095 11.378 1.00 54.30 C ATOM 951 C SER A 60 18.228 35.611 11.040 1.00 61.11 C ATOM 952 O SER A 60 17.843 35.241 9.930 1.00 24.22 O ATOM 953 CB SER A 60 19.660 37.656 10.874 1.00 61.44 C ATOM 954 OG SER A 60 19.453 38.677 9.914 1.00 11.13 O ATOM 0 H SER A 60 18.969 37.835 13.231 1.00 25.45 H new ATOM 0 HA SER A 60 17.512 37.619 10.882 1.00 54.30 H new ATOM 0 HB2 SER A 60 20.232 38.052 11.713 1.00 61.44 H new ATOM 0 HB3 SER A 60 20.253 36.854 10.434 1.00 61.44 H new ATOM 0 HG SER A 60 20.319 39.020 9.609 1.00 11.13 H new ATOM 960 N SER A 61 18.576 34.765 12.005 1.00 74.24 N ATOM 961 CA SER A 61 18.528 33.320 11.808 1.00 13.34 C ATOM 962 C SER A 61 17.118 32.868 11.440 1.00 41.31 C ATOM 963 O SER A 61 16.933 31.835 10.795 1.00 21.13 O ATOM 964 CB SER A 61 18.993 32.598 13.074 1.00 44.02 C ATOM 965 OG SER A 61 17.896 32.030 13.769 1.00 24.53 O ATOM 0 H SER A 61 18.894 35.055 12.930 1.00 74.24 H new ATOM 0 HA SER A 61 19.197 33.067 10.986 1.00 13.34 H new ATOM 0 HB2 SER A 61 19.705 31.816 12.810 1.00 44.02 H new ATOM 0 HB3 SER A 61 19.516 33.299 13.725 1.00 44.02 H new ATOM 0 HG SER A 61 18.220 31.573 14.573 1.00 24.53 H new ATOM 971 N LEU A 62 16.127 33.650 11.853 1.00 52.45 N ATOM 972 CA LEU A 62 14.732 33.332 11.566 1.00 62.31 C ATOM 973 C LEU A 62 14.222 34.139 10.376 1.00 33.33 C ATOM 974 O LEU A 62 13.034 34.109 10.058 1.00 75.55 O ATOM 975 CB LEU A 62 13.863 33.608 12.795 1.00 62.14 C ATOM 976 CG LEU A 62 13.437 35.061 13.003 1.00 41.54 C ATOM 977 CD1 LEU A 62 11.953 35.229 12.718 1.00 61.10 C ATOM 978 CD2 LEU A 62 13.765 35.516 14.418 1.00 70.13 C ATOM 0 H LEU A 62 16.263 34.508 12.387 1.00 52.45 H new ATOM 0 HA LEU A 62 14.671 32.273 11.315 1.00 62.31 H new ATOM 0 HB2 LEU A 62 12.965 32.994 12.726 1.00 62.14 H new ATOM 0 HB3 LEU A 62 14.407 33.279 13.681 1.00 62.14 H new ATOM 0 HG LEU A 62 13.993 35.686 12.304 1.00 41.54 H new ATOM 0 HD11 LEU A 62 11.669 36.270 12.872 1.00 61.10 H new ATOM 0 HD12 LEU A 62 11.746 34.945 11.686 1.00 61.10 H new ATOM 0 HD13 LEU A 62 11.379 34.593 13.392 1.00 61.10 H new ATOM 0 HD21 LEU A 62 13.455 36.553 14.548 1.00 70.13 H new ATOM 0 HD22 LEU A 62 13.237 34.887 15.134 1.00 70.13 H new ATOM 0 HD23 LEU A 62 14.839 35.435 14.587 1.00 70.13 H new ATOM 990 N ALA A 63 15.129 34.858 9.724 1.00 54.33 N ATOM 991 CA ALA A 63 14.772 35.669 8.567 1.00 52.42 C ATOM 992 C ALA A 63 15.656 35.337 7.369 1.00 13.24 C ATOM 993 O ALA A 63 15.844 36.162 6.475 1.00 2.53 O ATOM 994 CB ALA A 63 14.876 37.149 8.908 1.00 24.40 C ATOM 0 H ALA A 63 16.116 34.895 9.977 1.00 54.33 H new ATOM 0 HA ALA A 63 13.741 35.440 8.298 1.00 52.42 H new ATOM 0 HB1 ALA A 63 14.607 37.743 8.035 1.00 24.40 H new ATOM 0 HB2 ALA A 63 14.198 37.382 9.729 1.00 24.40 H new ATOM 0 HB3 ALA A 63 15.898 37.383 9.205 1.00 24.40 H new ATOM 1000 N THR A 64 16.197 34.123 7.358 1.00 73.04 N ATOM 1001 CA THR A 64 17.062 33.681 6.271 1.00 12.25 C ATOM 1002 C THR A 64 17.268 32.172 6.311 1.00 61.30 C ATOM 1003 O THR A 64 18.369 31.679 6.060 1.00 51.51 O ATOM 1004 CB THR A 64 18.435 34.378 6.328 1.00 75.01 C ATOM 1005 OG1 THR A 64 18.387 35.479 7.243 1.00 64.02 O ATOM 1006 CG2 THR A 64 18.846 34.875 4.950 1.00 22.24 C ATOM 0 H THR A 64 16.051 33.428 8.090 1.00 73.04 H new ATOM 0 HA THR A 64 16.564 33.951 5.340 1.00 12.25 H new ATOM 0 HB THR A 64 19.173 33.653 6.671 1.00 75.01 H new ATOM 0 HG1 THR A 64 18.286 35.140 8.157 1.00 64.02 H new ATOM 0 HG21 THR A 64 19.818 35.364 5.014 1.00 22.24 H new ATOM 0 HG22 THR A 64 18.909 34.031 4.263 1.00 22.24 H new ATOM 0 HG23 THR A 64 18.106 35.587 4.584 1.00 22.24 H new ATOM 1045 N HIS A 67 12.754 26.050 5.831 1.00 51.41 N ATOM 1046 CA HIS A 67 12.698 24.629 6.150 1.00 70.11 C ATOM 1047 C HIS A 67 11.395 24.011 5.653 1.00 51.15 C ATOM 1048 O HIS A 67 10.353 24.668 5.628 1.00 51.44 O ATOM 1049 CB HIS A 67 12.834 24.417 7.658 1.00 72.24 C ATOM 1050 CG HIS A 67 14.244 24.514 8.152 1.00 63.41 C ATOM 1051 ND1 HIS A 67 14.609 24.227 9.451 1.00 73.33 N ATOM 1052 CD2 HIS A 67 15.384 24.866 7.512 1.00 31.11 C ATOM 1053 CE1 HIS A 67 15.911 24.401 9.589 1.00 31.41 C ATOM 1054 NE2 HIS A 67 16.405 24.788 8.427 1.00 60.31 N ATOM 0 HA HIS A 67 13.529 24.136 5.645 1.00 70.11 H new ATOM 0 HB2 HIS A 67 12.224 25.157 8.177 1.00 72.24 H new ATOM 0 HB3 HIS A 67 12.434 23.436 7.916 1.00 72.24 H new ATOM 0 HD1 HIS A 67 13.973 23.927 10.190 1.00 73.33 H new ATOM 0 HD2 HIS A 67 15.474 25.154 6.475 1.00 31.11 H new ATOM 0 HE1 HIS A 67 16.476 24.252 10.498 1.00 31.41 H new ATOM 1062 N THR A 68 11.458 22.744 5.258 1.00 64.04 N ATOM 1063 CA THR A 68 10.284 22.038 4.760 1.00 64.23 C ATOM 1064 C THR A 68 10.047 20.748 5.537 1.00 43.54 C ATOM 1065 O THR A 68 10.932 19.897 5.628 1.00 1.23 O ATOM 1066 CB THR A 68 10.422 21.704 3.262 1.00 3.02 C ATOM 1067 OG1 THR A 68 10.695 22.897 2.517 1.00 71.21 O ATOM 1068 CG2 THR A 68 9.155 21.049 2.734 1.00 30.32 C ATOM 0 H THR A 68 12.311 22.185 5.273 1.00 64.04 H new ATOM 0 HA THR A 68 9.433 22.704 4.899 1.00 64.23 H new ATOM 0 HB THR A 68 11.250 21.005 3.143 1.00 3.02 H new ATOM 0 HG1 THR A 68 10.079 22.956 1.757 1.00 71.21 H new ATOM 0 HG21 THR A 68 9.277 20.823 1.675 1.00 30.32 H new ATOM 0 HG22 THR A 68 8.967 20.126 3.283 1.00 30.32 H new ATOM 0 HG23 THR A 68 8.312 21.728 2.865 1.00 30.32 H new ATOM 1076 N GLU A 69 8.848 20.609 6.092 1.00 33.21 N ATOM 1077 CA GLU A 69 8.497 19.421 6.862 1.00 40.32 C ATOM 1078 C GLU A 69 8.021 18.299 5.943 1.00 34.12 C ATOM 1079 O GLU A 69 7.427 18.552 4.895 1.00 74.25 O ATOM 1080 CB GLU A 69 7.409 19.753 7.885 1.00 34.12 C ATOM 1081 CG GLU A 69 7.666 21.039 8.652 1.00 53.40 C ATOM 1082 CD GLU A 69 6.734 21.209 9.836 1.00 63.03 C ATOM 1083 OE1 GLU A 69 6.900 20.470 10.830 1.00 15.44 O ATOM 1084 OE2 GLU A 69 5.841 22.079 9.769 1.00 24.53 O ATOM 0 H GLU A 69 8.104 21.303 6.023 1.00 33.21 H new ATOM 0 HA GLU A 69 9.390 19.083 7.388 1.00 40.32 H new ATOM 0 HB2 GLU A 69 6.451 19.832 7.371 1.00 34.12 H new ATOM 0 HB3 GLU A 69 7.324 18.929 8.593 1.00 34.12 H new ATOM 0 HG2 GLU A 69 8.698 21.048 9.003 1.00 53.40 H new ATOM 0 HG3 GLU A 69 7.550 21.888 7.979 1.00 53.40 H new ATOM 1091 N ILE A 70 8.288 17.061 6.345 1.00 74.24 N ATOM 1092 CA ILE A 70 7.887 15.901 5.558 1.00 34.21 C ATOM 1093 C ILE A 70 6.578 15.312 6.075 1.00 21.20 C ATOM 1094 O ILE A 70 6.554 14.623 7.095 1.00 21.14 O ATOM 1095 CB ILE A 70 8.971 14.808 5.576 1.00 61.44 C ATOM 1096 CG1 ILE A 70 10.177 15.242 4.740 1.00 61.42 C ATOM 1097 CG2 ILE A 70 8.406 13.493 5.057 1.00 33.01 C ATOM 1098 CD1 ILE A 70 11.160 16.103 5.501 1.00 4.23 C ATOM 0 H ILE A 70 8.780 16.835 7.210 1.00 74.24 H new ATOM 0 HA ILE A 70 7.748 16.247 4.534 1.00 34.21 H new ATOM 0 HB ILE A 70 9.300 14.659 6.605 1.00 61.44 H new ATOM 0 HG12 ILE A 70 10.692 14.355 4.372 1.00 61.42 H new ATOM 0 HG13 ILE A 70 9.825 15.791 3.867 1.00 61.42 H new ATOM 0 HG21 ILE A 70 9.184 12.730 5.076 1.00 33.01 H new ATOM 0 HG22 ILE A 70 7.575 13.179 5.689 1.00 33.01 H new ATOM 0 HG23 ILE A 70 8.054 13.627 4.034 1.00 33.01 H new ATOM 0 HD11 ILE A 70 11.989 16.373 4.847 1.00 4.23 H new ATOM 0 HD12 ILE A 70 10.660 17.008 5.846 1.00 4.23 H new ATOM 0 HD13 ILE A 70 11.541 15.549 6.359 1.00 4.23 H new ATOM 1110 N LYS A 71 5.490 15.586 5.364 1.00 45.24 N ATOM 1111 CA LYS A 71 4.177 15.082 5.746 1.00 11.01 C ATOM 1112 C LYS A 71 3.883 13.753 5.057 1.00 54.10 C ATOM 1113 O LYS A 71 4.446 13.450 4.007 1.00 62.24 O ATOM 1114 CB LYS A 71 3.093 16.104 5.395 1.00 65.52 C ATOM 1115 CG LYS A 71 3.118 16.539 3.940 1.00 23.12 C ATOM 1116 CD LYS A 71 3.223 18.049 3.812 1.00 13.22 C ATOM 1117 CE LYS A 71 4.611 18.545 4.189 1.00 13.41 C ATOM 1118 NZ LYS A 71 4.724 20.025 4.062 1.00 62.41 N ATOM 0 H LYS A 71 5.492 16.156 4.518 1.00 45.24 H new ATOM 0 HA LYS A 71 4.177 14.919 6.824 1.00 11.01 H new ATOM 0 HB2 LYS A 71 2.116 15.678 5.622 1.00 65.52 H new ATOM 0 HB3 LYS A 71 3.213 16.982 6.030 1.00 65.52 H new ATOM 0 HG2 LYS A 71 3.962 16.070 3.434 1.00 23.12 H new ATOM 0 HG3 LYS A 71 2.214 16.192 3.440 1.00 23.12 H new ATOM 0 HD2 LYS A 71 2.995 18.345 2.788 1.00 13.22 H new ATOM 0 HD3 LYS A 71 2.480 18.522 4.454 1.00 13.22 H new ATOM 0 HE2 LYS A 71 4.836 18.250 5.214 1.00 13.41 H new ATOM 0 HE3 LYS A 71 5.353 18.068 3.549 1.00 13.41 H new ATOM 0 HZ1 LYS A 71 5.684 20.324 4.328 1.00 62.41 H new ATOM 0 HZ2 LYS A 71 4.534 20.305 3.078 1.00 62.41 H new ATOM 0 HZ3 LYS A 71 4.033 20.481 4.691 1.00 62.41 H new ATOM 1132 N ALA A 72 2.994 12.966 5.655 1.00 32.11 N ATOM 1133 CA ALA A 72 2.622 11.673 5.096 1.00 24.43 C ATOM 1134 C ALA A 72 1.535 11.824 4.037 1.00 25.41 C ATOM 1135 O ALA A 72 0.645 12.666 4.143 1.00 34.14 O ATOM 1136 CB ALA A 72 2.158 10.735 6.201 1.00 31.31 C ATOM 0 H ALA A 72 2.519 13.202 6.526 1.00 32.11 H new ATOM 0 HA ALA A 72 3.502 11.245 4.616 1.00 24.43 H new ATOM 0 HB1 ALA A 72 1.883 9.773 5.770 1.00 31.31 H new ATOM 0 HB2 ALA A 72 2.965 10.593 6.920 1.00 31.31 H new ATOM 0 HB3 ALA A 72 1.294 11.167 6.706 1.00 31.31 H new ATOM 1142 N PRO A 73 1.611 10.990 2.989 1.00 34.12 N ATOM 1143 CA PRO A 73 0.641 11.013 1.889 1.00 21.24 C ATOM 1144 C PRO A 73 -0.733 10.508 2.317 1.00 13.43 C ATOM 1145 O PRO A 73 -1.758 11.079 1.945 1.00 54.33 O ATOM 1146 CB PRO A 73 1.257 10.069 0.853 1.00 24.15 C ATOM 1147 CG PRO A 73 2.121 9.149 1.646 1.00 75.40 C ATOM 1148 CD PRO A 73 2.646 9.961 2.796 1.00 22.04 C ATOM 0 HA PRO A 73 0.470 12.024 1.518 1.00 21.24 H new ATOM 0 HB2 PRO A 73 0.487 9.520 0.310 1.00 24.15 H new ATOM 0 HB3 PRO A 73 1.838 10.619 0.113 1.00 24.15 H new ATOM 0 HG2 PRO A 73 1.552 8.290 2.002 1.00 75.40 H new ATOM 0 HG3 PRO A 73 2.938 8.760 1.038 1.00 75.40 H new ATOM 0 HD2 PRO A 73 2.779 9.352 3.690 1.00 22.04 H new ATOM 0 HD3 PRO A 73 3.615 10.404 2.566 1.00 22.04 H new ATOM 1156 N PHE A 74 -0.747 9.437 3.102 1.00 22.40 N ATOM 1157 CA PHE A 74 -1.996 8.856 3.581 1.00 63.54 C ATOM 1158 C PHE A 74 -1.796 8.175 4.932 1.00 13.11 C ATOM 1159 O PHE A 74 -0.677 8.092 5.439 1.00 40.31 O ATOM 1160 CB PHE A 74 -2.536 7.847 2.564 1.00 53.11 C ATOM 1161 CG PHE A 74 -1.465 7.026 1.906 1.00 63.10 C ATOM 1162 CD1 PHE A 74 -0.981 5.879 2.514 1.00 41.01 C ATOM 1163 CD2 PHE A 74 -0.940 7.402 0.680 1.00 10.33 C ATOM 1164 CE1 PHE A 74 0.004 5.120 1.911 1.00 42.43 C ATOM 1165 CE2 PHE A 74 0.045 6.647 0.072 1.00 12.50 C ATOM 1166 CZ PHE A 74 0.519 5.506 0.688 1.00 4.24 C ATOM 0 H PHE A 74 0.093 8.953 3.420 1.00 22.40 H new ATOM 0 HA PHE A 74 -2.720 9.662 3.703 1.00 63.54 H new ATOM 0 HB2 PHE A 74 -3.238 7.180 3.064 1.00 53.11 H new ATOM 0 HB3 PHE A 74 -3.096 8.381 1.796 1.00 53.11 H new ATOM 0 HD1 PHE A 74 -1.378 5.574 3.471 1.00 41.01 H new ATOM 0 HD2 PHE A 74 -1.305 8.295 0.194 1.00 10.33 H new ATOM 0 HE1 PHE A 74 0.371 4.227 2.395 1.00 42.43 H new ATOM 0 HE2 PHE A 74 0.444 6.950 -0.885 1.00 12.50 H new ATOM 0 HZ PHE A 74 1.291 4.916 0.215 1.00 4.24 H new ATOM 1176 N ASP A 75 -2.890 7.689 5.510 1.00 4.41 N ATOM 1177 CA ASP A 75 -2.836 7.015 6.802 1.00 54.41 C ATOM 1178 C ASP A 75 -2.534 5.530 6.628 1.00 75.11 C ATOM 1179 O ASP A 75 -2.755 4.962 5.559 1.00 31.21 O ATOM 1180 CB ASP A 75 -4.158 7.195 7.550 1.00 50.02 C ATOM 1181 CG ASP A 75 -4.461 6.035 8.478 1.00 10.13 C ATOM 1182 OD1 ASP A 75 -4.903 4.978 7.982 1.00 54.12 O ATOM 1183 OD2 ASP A 75 -4.254 6.185 9.700 1.00 21.32 O ATOM 0 H ASP A 75 -3.824 7.749 5.104 1.00 4.41 H new ATOM 0 HA ASP A 75 -2.033 7.465 7.386 1.00 54.41 H new ATOM 0 HB2 ASP A 75 -4.122 8.119 8.128 1.00 50.02 H new ATOM 0 HB3 ASP A 75 -4.969 7.301 6.829 1.00 50.02 H new ATOM 1188 N GLY A 76 -2.026 4.906 7.687 1.00 13.40 N ATOM 1189 CA GLY A 76 -1.700 3.493 7.631 1.00 55.24 C ATOM 1190 C GLY A 76 -0.630 3.104 8.631 1.00 40.45 C ATOM 1191 O GLY A 76 -0.383 3.823 9.599 1.00 55.42 O ATOM 0 H GLY A 76 -1.834 5.354 8.583 1.00 13.40 H new ATOM 0 HA2 GLY A 76 -2.600 2.908 7.821 1.00 55.24 H new ATOM 0 HA3 GLY A 76 -1.362 3.241 6.626 1.00 55.24 H new ATOM 1195 N THR A 77 0.007 1.961 8.399 1.00 61.05 N ATOM 1196 CA THR A 77 1.054 1.475 9.288 1.00 21.03 C ATOM 1197 C THR A 77 2.436 1.858 8.771 1.00 12.33 C ATOM 1198 O THR A 77 2.786 1.560 7.628 1.00 1.23 O ATOM 1199 CB THR A 77 0.987 -0.055 9.453 1.00 14.42 C ATOM 1200 OG1 THR A 77 -0.239 -0.425 10.095 1.00 5.13 O ATOM 1201 CG2 THR A 77 2.166 -0.564 10.268 1.00 41.22 C ATOM 0 H THR A 77 -0.184 1.354 7.602 1.00 61.05 H new ATOM 0 HA THR A 77 0.888 1.945 10.257 1.00 21.03 H new ATOM 0 HB THR A 77 1.029 -0.507 8.462 1.00 14.42 H new ATOM 0 HG1 THR A 77 -0.275 -1.399 10.195 1.00 5.13 H new ATOM 0 HG21 THR A 77 2.097 -1.647 10.371 1.00 41.22 H new ATOM 0 HG22 THR A 77 3.096 -0.306 9.762 1.00 41.22 H new ATOM 0 HG23 THR A 77 2.151 -0.104 11.256 1.00 41.22 H new ATOM 1209 N ILE A 78 3.217 2.520 9.618 1.00 32.41 N ATOM 1210 CA ILE A 78 4.561 2.942 9.247 1.00 45.23 C ATOM 1211 C ILE A 78 5.597 1.893 9.643 1.00 12.43 C ATOM 1212 O ILE A 78 5.452 1.218 10.660 1.00 3.03 O ATOM 1213 CB ILE A 78 4.931 4.285 9.902 1.00 2.32 C ATOM 1214 CG1 ILE A 78 6.247 4.813 9.326 1.00 41.32 C ATOM 1215 CG2 ILE A 78 5.033 4.129 11.412 1.00 75.44 C ATOM 1216 CD1 ILE A 78 6.141 6.211 8.758 1.00 53.52 C ATOM 0 H ILE A 78 2.941 2.776 10.566 1.00 32.41 H new ATOM 0 HA ILE A 78 4.565 3.062 8.164 1.00 45.23 H new ATOM 0 HB ILE A 78 4.144 5.007 9.684 1.00 2.32 H new ATOM 0 HG12 ILE A 78 7.006 4.804 10.108 1.00 41.32 H new ATOM 0 HG13 ILE A 78 6.589 4.136 8.543 1.00 41.32 H new ATOM 0 HG21 ILE A 78 5.295 5.087 11.860 1.00 75.44 H new ATOM 0 HG22 ILE A 78 4.075 3.793 11.809 1.00 75.44 H new ATOM 0 HG23 ILE A 78 5.802 3.394 11.651 1.00 75.44 H new ATOM 0 HD11 ILE A 78 7.111 6.520 8.368 1.00 53.52 H new ATOM 0 HD12 ILE A 78 5.406 6.222 7.953 1.00 53.52 H new ATOM 0 HD13 ILE A 78 5.830 6.900 9.543 1.00 53.52 H new ATOM 1228 N GLY A 79 6.642 1.766 8.831 1.00 20.10 N ATOM 1229 CA GLY A 79 7.687 0.800 9.115 1.00 72.54 C ATOM 1230 C GLY A 79 8.979 1.456 9.558 1.00 12.31 C ATOM 1231 O GLY A 79 8.970 2.574 10.075 1.00 30.55 O ATOM 0 H GLY A 79 6.783 2.314 7.983 1.00 20.10 H new ATOM 0 HA2 GLY A 79 7.345 0.117 9.893 1.00 72.54 H new ATOM 0 HA3 GLY A 79 7.875 0.200 8.224 1.00 72.54 H new ATOM 1235 N ASP A 80 10.093 0.761 9.358 1.00 64.24 N ATOM 1236 CA ASP A 80 11.400 1.283 9.742 1.00 33.10 C ATOM 1237 C ASP A 80 11.854 2.372 8.775 1.00 24.32 C ATOM 1238 O ASP A 80 11.464 2.382 7.608 1.00 3.12 O ATOM 1239 CB ASP A 80 12.432 0.155 9.782 1.00 51.23 C ATOM 1240 CG ASP A 80 13.808 0.643 10.192 1.00 15.41 C ATOM 1241 OD1 ASP A 80 13.962 1.073 11.355 1.00 43.33 O ATOM 1242 OD2 ASP A 80 14.728 0.595 9.351 1.00 3.11 O ATOM 0 H ASP A 80 10.118 -0.166 8.932 1.00 64.24 H new ATOM 0 HA ASP A 80 11.313 1.719 10.737 1.00 33.10 H new ATOM 0 HB2 ASP A 80 12.099 -0.613 10.480 1.00 51.23 H new ATOM 0 HB3 ASP A 80 12.493 -0.312 8.799 1.00 51.23 H new ATOM 1247 N ALA A 81 12.681 3.287 9.270 1.00 41.34 N ATOM 1248 CA ALA A 81 13.190 4.380 8.450 1.00 62.30 C ATOM 1249 C ALA A 81 14.272 3.891 7.493 1.00 25.41 C ATOM 1250 O ALA A 81 14.463 2.686 7.320 1.00 65.21 O ATOM 1251 CB ALA A 81 13.730 5.496 9.333 1.00 22.11 C ATOM 0 H ALA A 81 13.013 3.293 10.235 1.00 41.34 H new ATOM 0 HA ALA A 81 12.364 4.769 7.855 1.00 62.30 H new ATOM 0 HB1 ALA A 81 14.107 6.305 8.707 1.00 22.11 H new ATOM 0 HB2 ALA A 81 12.931 5.873 9.972 1.00 22.11 H new ATOM 0 HB3 ALA A 81 14.539 5.110 9.953 1.00 22.11 H new ATOM 1257 N LEU A 82 14.976 4.830 6.873 1.00 53.22 N ATOM 1258 CA LEU A 82 16.039 4.494 5.932 1.00 54.33 C ATOM 1259 C LEU A 82 17.226 5.440 6.090 1.00 34.55 C ATOM 1260 O LEU A 82 18.368 5.002 6.222 1.00 24.15 O ATOM 1261 CB LEU A 82 15.514 4.554 4.496 1.00 71.14 C ATOM 1262 CG LEU A 82 14.604 3.402 4.066 1.00 73.40 C ATOM 1263 CD1 LEU A 82 14.046 3.654 2.675 1.00 54.33 C ATOM 1264 CD2 LEU A 82 15.359 2.081 4.109 1.00 2.34 C ATOM 0 H LEU A 82 14.830 5.831 7.004 1.00 53.22 H new ATOM 0 HA LEU A 82 16.374 3.480 6.149 1.00 54.33 H new ATOM 0 HB2 LEU A 82 14.968 5.489 4.369 1.00 71.14 H new ATOM 0 HB3 LEU A 82 16.368 4.588 3.819 1.00 71.14 H new ATOM 0 HG LEU A 82 13.769 3.343 4.765 1.00 73.40 H new ATOM 0 HD11 LEU A 82 13.401 2.824 2.386 1.00 54.33 H new ATOM 0 HD12 LEU A 82 13.469 4.579 2.676 1.00 54.33 H new ATOM 0 HD13 LEU A 82 14.867 3.740 1.964 1.00 54.33 H new ATOM 0 HD21 LEU A 82 14.696 1.273 3.800 1.00 2.34 H new ATOM 0 HD22 LEU A 82 16.213 2.128 3.434 1.00 2.34 H new ATOM 0 HD23 LEU A 82 15.709 1.895 5.124 1.00 2.34 H new ATOM 1276 N VAL A 83 16.946 6.740 6.078 1.00 72.21 N ATOM 1277 CA VAL A 83 17.989 7.748 6.224 1.00 65.33 C ATOM 1278 C VAL A 83 18.005 8.322 7.636 1.00 41.35 C ATOM 1279 O VAL A 83 17.149 7.999 8.458 1.00 60.32 O ATOM 1280 CB VAL A 83 17.804 8.897 5.215 1.00 24.44 C ATOM 1281 CG1 VAL A 83 17.612 8.348 3.810 1.00 70.01 C ATOM 1282 CG2 VAL A 83 16.631 9.775 5.619 1.00 53.33 C ATOM 0 H VAL A 83 16.005 7.119 5.969 1.00 72.21 H new ATOM 0 HA VAL A 83 18.939 7.252 6.027 1.00 65.33 H new ATOM 0 HB VAL A 83 18.705 9.510 5.219 1.00 24.44 H new ATOM 0 HG11 VAL A 83 17.483 9.174 3.111 1.00 70.01 H new ATOM 0 HG12 VAL A 83 18.487 7.765 3.525 1.00 70.01 H new ATOM 0 HG13 VAL A 83 16.728 7.711 3.786 1.00 70.01 H new ATOM 0 HG21 VAL A 83 16.514 10.582 4.895 1.00 53.33 H new ATOM 0 HG22 VAL A 83 15.720 9.176 5.645 1.00 53.33 H new ATOM 0 HG23 VAL A 83 16.816 10.197 6.607 1.00 53.33 H new ATOM 1292 N ASN A 84 18.984 9.178 7.910 1.00 40.11 N ATOM 1293 CA ASN A 84 19.112 9.799 9.223 1.00 34.45 C ATOM 1294 C ASN A 84 19.220 11.315 9.100 1.00 52.51 C ATOM 1295 O ASN A 84 19.109 11.868 8.005 1.00 11.24 O ATOM 1296 CB ASN A 84 20.337 9.246 9.954 1.00 12.15 C ATOM 1297 CG ASN A 84 20.140 7.813 10.411 1.00 12.02 C ATOM 1298 OD1 ASN A 84 20.043 6.897 9.455 1.00 24.11 O flip ATOM 1299 ND2 ASN A 84 20.077 7.534 11.608 1.00 74.42 N flip ATOM 0 H ASN A 84 19.700 9.457 7.240 1.00 40.11 H new ATOM 0 HA ASN A 84 18.217 9.563 9.798 1.00 34.45 H new ATOM 0 HB2 ASN A 84 21.204 9.298 9.295 1.00 12.15 H new ATOM 0 HB3 ASN A 84 20.555 9.873 10.818 1.00 12.15 H new ATOM 0 HD21 ASN A 84 20.157 8.271 12.308 1.00 74.42 H new ATOM 0 HD22 ASN A 84 19.945 6.566 11.900 1.00 74.42 H new ATOM 1306 N ILE A 85 19.438 11.981 10.228 1.00 24.24 N ATOM 1307 CA ILE A 85 19.564 13.433 10.247 1.00 71.03 C ATOM 1308 C ILE A 85 20.928 13.874 9.726 1.00 21.13 C ATOM 1309 O ILE A 85 21.884 13.100 9.728 1.00 74.12 O ATOM 1310 CB ILE A 85 19.361 13.999 11.664 1.00 20.32 C ATOM 1311 CG1 ILE A 85 18.245 13.239 12.386 1.00 72.15 C ATOM 1312 CG2 ILE A 85 19.042 15.484 11.602 1.00 12.42 C ATOM 1313 CD1 ILE A 85 16.963 13.147 11.587 1.00 64.12 C ATOM 0 H ILE A 85 19.531 11.538 11.142 1.00 24.24 H new ATOM 0 HA ILE A 85 18.784 13.825 9.594 1.00 71.03 H new ATOM 0 HB ILE A 85 20.286 13.870 12.226 1.00 20.32 H new ATOM 0 HG12 ILE A 85 18.593 12.232 12.617 1.00 72.15 H new ATOM 0 HG13 ILE A 85 18.037 13.731 13.336 1.00 72.15 H new ATOM 0 HG21 ILE A 85 18.901 15.868 12.612 1.00 12.42 H new ATOM 0 HG22 ILE A 85 19.866 16.013 11.124 1.00 12.42 H new ATOM 0 HG23 ILE A 85 18.130 15.636 11.026 1.00 12.42 H new ATOM 0 HD11 ILE A 85 16.217 12.596 12.159 1.00 64.12 H new ATOM 0 HD12 ILE A 85 16.592 14.150 11.378 1.00 64.12 H new ATOM 0 HD13 ILE A 85 17.156 12.628 10.648 1.00 64.12 H new ATOM 1325 N GLY A 86 21.011 15.125 9.283 1.00 72.34 N ATOM 1326 CA GLY A 86 22.262 15.648 8.767 1.00 23.33 C ATOM 1327 C GLY A 86 22.651 15.022 7.444 1.00 61.44 C ATOM 1328 O GLY A 86 23.811 15.086 7.034 1.00 54.21 O ATOM 0 H GLY A 86 20.234 15.785 9.272 1.00 72.34 H new ATOM 0 HA2 GLY A 86 22.177 16.728 8.643 1.00 23.33 H new ATOM 0 HA3 GLY A 86 23.054 15.472 9.495 1.00 23.33 H new ATOM 1332 N ASP A 87 21.680 14.411 6.771 1.00 2.15 N ATOM 1333 CA ASP A 87 21.927 13.769 5.486 1.00 42.10 C ATOM 1334 C ASP A 87 21.259 14.546 4.355 1.00 65.00 C ATOM 1335 O ASP A 87 20.193 15.133 4.536 1.00 51.42 O ATOM 1336 CB ASP A 87 21.414 12.328 5.504 1.00 1.21 C ATOM 1337 CG ASP A 87 22.528 11.316 5.320 1.00 35.42 C ATOM 1338 OD1 ASP A 87 23.277 11.432 4.329 1.00 44.23 O ATOM 1339 OD2 ASP A 87 22.648 10.406 6.168 1.00 33.41 O ATOM 0 H ASP A 87 20.715 14.348 7.095 1.00 2.15 H new ATOM 0 HA ASP A 87 23.003 13.760 5.312 1.00 42.10 H new ATOM 0 HB2 ASP A 87 20.906 12.138 6.450 1.00 1.21 H new ATOM 0 HB3 ASP A 87 20.675 12.198 4.714 1.00 1.21 H new ATOM 1344 N TYR A 88 21.895 14.543 3.188 1.00 12.50 N ATOM 1345 CA TYR A 88 21.365 15.250 2.028 1.00 40.23 C ATOM 1346 C TYR A 88 20.389 14.371 1.253 1.00 32.31 C ATOM 1347 O TYR A 88 20.722 13.254 0.855 1.00 2.24 O ATOM 1348 CB TYR A 88 22.505 15.696 1.111 1.00 74.10 C ATOM 1349 CG TYR A 88 22.036 16.222 -0.227 1.00 32.14 C ATOM 1350 CD1 TYR A 88 21.596 17.532 -0.365 1.00 72.03 C ATOM 1351 CD2 TYR A 88 22.035 15.408 -1.353 1.00 51.21 C ATOM 1352 CE1 TYR A 88 21.165 18.017 -1.585 1.00 65.41 C ATOM 1353 CE2 TYR A 88 21.607 15.884 -2.578 1.00 3.03 C ATOM 1354 CZ TYR A 88 21.174 17.188 -2.688 1.00 52.15 C ATOM 1355 OH TYR A 88 20.747 17.667 -3.907 1.00 4.34 O ATOM 0 H TYR A 88 22.777 14.059 3.021 1.00 12.50 H new ATOM 0 HA TYR A 88 20.829 16.130 2.385 1.00 40.23 H new ATOM 0 HB2 TYR A 88 23.083 16.471 1.614 1.00 74.10 H new ATOM 0 HB3 TYR A 88 23.177 14.854 0.946 1.00 74.10 H new ATOM 0 HD1 TYR A 88 21.591 18.183 0.497 1.00 72.03 H new ATOM 0 HD2 TYR A 88 22.374 14.386 -1.270 1.00 51.21 H new ATOM 0 HE1 TYR A 88 20.824 19.038 -1.675 1.00 65.41 H new ATOM 0 HE2 TYR A 88 21.612 15.238 -3.444 1.00 3.03 H new ATOM 0 HH TYR A 88 20.817 16.958 -4.580 1.00 4.34 H new ATOM 1365 N VAL A 89 19.181 14.882 1.041 1.00 15.22 N ATOM 1366 CA VAL A 89 18.154 14.145 0.313 1.00 21.01 C ATOM 1367 C VAL A 89 17.891 14.773 -1.051 1.00 64.14 C ATOM 1368 O VAL A 89 18.104 15.970 -1.247 1.00 32.13 O ATOM 1369 CB VAL A 89 16.834 14.091 1.104 1.00 22.12 C ATOM 1370 CG1 VAL A 89 16.944 13.108 2.261 1.00 4.41 C ATOM 1371 CG2 VAL A 89 16.455 15.477 1.605 1.00 64.43 C ATOM 0 H VAL A 89 18.889 15.805 1.363 1.00 15.22 H new ATOM 0 HA VAL A 89 18.529 13.130 0.177 1.00 21.01 H new ATOM 0 HB VAL A 89 16.045 13.743 0.437 1.00 22.12 H new ATOM 0 HG11 VAL A 89 16.002 13.083 2.808 1.00 4.41 H new ATOM 0 HG12 VAL A 89 17.165 12.113 1.874 1.00 4.41 H new ATOM 0 HG13 VAL A 89 17.745 13.422 2.931 1.00 4.41 H new ATOM 0 HG21 VAL A 89 15.520 15.419 2.162 1.00 64.43 H new ATOM 0 HG22 VAL A 89 17.242 15.856 2.256 1.00 64.43 H new ATOM 0 HG23 VAL A 89 16.331 16.149 0.756 1.00 64.43 H new ATOM 1381 N SER A 90 17.427 13.957 -1.992 1.00 15.12 N ATOM 1382 CA SER A 90 17.137 14.432 -3.340 1.00 73.24 C ATOM 1383 C SER A 90 15.635 14.423 -3.608 1.00 52.44 C ATOM 1384 O SER A 90 15.091 13.447 -4.124 1.00 34.13 O ATOM 1385 CB SER A 90 17.856 13.565 -4.375 1.00 23.12 C ATOM 1386 OG SER A 90 18.943 14.262 -4.957 1.00 51.11 O ATOM 0 H SER A 90 17.244 12.964 -1.846 1.00 15.12 H new ATOM 0 HA SER A 90 17.497 15.457 -3.422 1.00 73.24 H new ATOM 0 HB2 SER A 90 18.217 12.652 -3.901 1.00 23.12 H new ATOM 0 HB3 SER A 90 17.154 13.265 -5.153 1.00 23.12 H new ATOM 0 HG SER A 90 19.387 13.686 -5.614 1.00 51.11 H new ATOM 1392 N ALA A 91 14.970 15.518 -3.253 1.00 24.22 N ATOM 1393 CA ALA A 91 13.532 15.638 -3.457 1.00 0.13 C ATOM 1394 C ALA A 91 12.808 14.368 -3.024 1.00 5.52 C ATOM 1395 O ALA A 91 13.291 13.629 -2.165 1.00 11.53 O ATOM 1396 CB ALA A 91 13.229 15.949 -4.915 1.00 42.30 C ATOM 0 H ALA A 91 15.405 16.334 -2.823 1.00 24.22 H new ATOM 0 HA ALA A 91 13.170 16.460 -2.839 1.00 0.13 H new ATOM 0 HB1 ALA A 91 12.151 16.036 -5.052 1.00 42.30 H new ATOM 0 HB2 ALA A 91 13.707 16.888 -5.194 1.00 42.30 H new ATOM 0 HB3 ALA A 91 13.611 15.146 -5.545 1.00 42.30 H new ATOM 1402 N SER A 92 11.647 14.120 -3.622 1.00 45.12 N ATOM 1403 CA SER A 92 10.855 12.941 -3.295 1.00 24.52 C ATOM 1404 C SER A 92 11.628 11.663 -3.605 1.00 61.34 C ATOM 1405 O SER A 92 11.263 10.576 -3.156 1.00 54.30 O ATOM 1406 CB SER A 92 9.537 12.955 -4.072 1.00 30.22 C ATOM 1407 OG SER A 92 8.530 13.650 -3.356 1.00 24.23 O ATOM 0 H SER A 92 11.234 14.720 -4.336 1.00 45.12 H new ATOM 0 HA SER A 92 10.639 12.964 -2.227 1.00 24.52 H new ATOM 0 HB2 SER A 92 9.689 13.427 -5.043 1.00 30.22 H new ATOM 0 HB3 SER A 92 9.212 11.932 -4.262 1.00 30.22 H new ATOM 0 HG SER A 92 8.919 14.050 -2.550 1.00 24.23 H new ATOM 1413 N THR A 93 12.700 11.801 -4.380 1.00 3.12 N ATOM 1414 CA THR A 93 13.526 10.659 -4.753 1.00 14.44 C ATOM 1415 C THR A 93 14.106 9.974 -3.521 1.00 34.23 C ATOM 1416 O THR A 93 14.334 8.764 -3.520 1.00 33.12 O ATOM 1417 CB THR A 93 14.679 11.080 -5.683 1.00 22.32 C ATOM 1418 OG1 THR A 93 14.270 12.177 -6.506 1.00 54.33 O ATOM 1419 CG2 THR A 93 15.118 9.918 -6.560 1.00 61.41 C ATOM 0 H THR A 93 13.016 12.693 -4.761 1.00 3.12 H new ATOM 0 HA THR A 93 12.879 9.960 -5.283 1.00 14.44 H new ATOM 0 HB THR A 93 15.522 11.386 -5.064 1.00 22.32 H new ATOM 0 HG1 THR A 93 14.493 13.021 -6.061 1.00 54.33 H new ATOM 0 HG21 THR A 93 15.933 10.239 -7.208 1.00 61.41 H new ATOM 0 HG22 THR A 93 15.457 9.095 -5.931 1.00 61.41 H new ATOM 0 HG23 THR A 93 14.278 9.585 -7.170 1.00 61.41 H new ATOM 1427 N THR A 94 14.343 10.755 -2.471 1.00 73.13 N ATOM 1428 CA THR A 94 14.897 10.224 -1.232 1.00 63.00 C ATOM 1429 C THR A 94 13.891 9.326 -0.521 1.00 64.32 C ATOM 1430 O THR A 94 12.755 9.728 -0.272 1.00 24.22 O ATOM 1431 CB THR A 94 15.325 11.354 -0.277 1.00 13.21 C ATOM 1432 OG1 THR A 94 16.216 10.842 0.720 1.00 55.30 O ATOM 1433 CG2 THR A 94 14.113 11.984 0.392 1.00 13.05 C ATOM 0 H THR A 94 14.160 11.758 -2.455 1.00 73.13 H new ATOM 0 HA THR A 94 15.775 9.638 -1.504 1.00 63.00 H new ATOM 0 HB THR A 94 15.837 12.119 -0.861 1.00 13.21 H new ATOM 0 HG1 THR A 94 17.141 10.927 0.407 1.00 55.30 H new ATOM 0 HG21 THR A 94 14.440 12.779 1.062 1.00 13.05 H new ATOM 0 HG22 THR A 94 13.452 12.399 -0.369 1.00 13.05 H new ATOM 0 HG23 THR A 94 13.578 11.226 0.963 1.00 13.05 H new ATOM 1441 N GLU A 95 14.317 8.109 -0.196 1.00 74.12 N ATOM 1442 CA GLU A 95 13.451 7.155 0.488 1.00 41.14 C ATOM 1443 C GLU A 95 13.823 7.042 1.963 1.00 4.21 C ATOM 1444 O GLU A 95 14.876 6.504 2.309 1.00 31.42 O ATOM 1445 CB GLU A 95 13.543 5.781 -0.180 1.00 13.12 C ATOM 1446 CG GLU A 95 14.963 5.364 -0.521 1.00 51.33 C ATOM 1447 CD GLU A 95 15.159 3.861 -0.467 1.00 51.33 C ATOM 1448 OE1 GLU A 95 14.486 3.148 -1.241 1.00 33.13 O ATOM 1449 OE2 GLU A 95 15.984 3.399 0.347 1.00 21.21 O ATOM 0 H GLU A 95 15.255 7.761 -0.395 1.00 74.12 H new ATOM 0 HA GLU A 95 12.426 7.518 0.418 1.00 41.14 H new ATOM 0 HB2 GLU A 95 13.103 5.035 0.481 1.00 13.12 H new ATOM 0 HB3 GLU A 95 12.947 5.789 -1.092 1.00 13.12 H new ATOM 0 HG2 GLU A 95 15.213 5.724 -1.519 1.00 51.33 H new ATOM 0 HG3 GLU A 95 15.655 5.842 0.173 1.00 51.33 H new ATOM 1456 N LEU A 96 12.954 7.554 2.827 1.00 30.31 N ATOM 1457 CA LEU A 96 13.191 7.512 4.265 1.00 34.24 C ATOM 1458 C LEU A 96 12.375 6.402 4.919 1.00 34.45 C ATOM 1459 O LEU A 96 12.928 5.434 5.441 1.00 44.12 O ATOM 1460 CB LEU A 96 12.841 8.859 4.900 1.00 21.33 C ATOM 1461 CG LEU A 96 13.039 10.090 4.013 1.00 22.53 C ATOM 1462 CD1 LEU A 96 14.359 10.000 3.263 1.00 20.24 C ATOM 1463 CD2 LEU A 96 11.879 10.238 3.041 1.00 55.24 C ATOM 0 H LEU A 96 12.079 8.003 2.557 1.00 30.31 H new ATOM 0 HA LEU A 96 14.249 7.305 4.428 1.00 34.24 H new ATOM 0 HB2 LEU A 96 11.799 8.829 5.218 1.00 21.33 H new ATOM 0 HB3 LEU A 96 13.445 8.982 5.799 1.00 21.33 H new ATOM 0 HG LEU A 96 13.067 10.974 4.650 1.00 22.53 H new ATOM 0 HD11 LEU A 96 14.483 10.884 2.637 1.00 20.24 H new ATOM 0 HD12 LEU A 96 15.180 9.943 3.977 1.00 20.24 H new ATOM 0 HD13 LEU A 96 14.361 9.108 2.636 1.00 20.24 H new ATOM 0 HD21 LEU A 96 12.036 11.119 2.418 1.00 55.24 H new ATOM 0 HD22 LEU A 96 11.819 9.352 2.409 1.00 55.24 H new ATOM 0 HD23 LEU A 96 10.949 10.350 3.599 1.00 55.24 H new ATOM 1475 N VAL A 97 11.053 6.548 4.887 1.00 71.22 N ATOM 1476 CA VAL A 97 10.160 5.556 5.472 1.00 31.05 C ATOM 1477 C VAL A 97 9.088 5.125 4.477 1.00 3.14 C ATOM 1478 O VAL A 97 8.790 5.841 3.522 1.00 14.34 O ATOM 1479 CB VAL A 97 9.477 6.096 6.743 1.00 50.40 C ATOM 1480 CG1 VAL A 97 8.489 7.198 6.391 1.00 53.10 C ATOM 1481 CG2 VAL A 97 8.787 4.970 7.497 1.00 73.21 C ATOM 0 H VAL A 97 10.578 7.344 4.462 1.00 71.22 H new ATOM 0 HA VAL A 97 10.774 4.695 5.735 1.00 31.05 H new ATOM 0 HB VAL A 97 10.242 6.521 7.393 1.00 50.40 H new ATOM 0 HG11 VAL A 97 8.016 7.567 7.301 1.00 53.10 H new ATOM 0 HG12 VAL A 97 9.016 8.015 5.898 1.00 53.10 H new ATOM 0 HG13 VAL A 97 7.726 6.802 5.721 1.00 53.10 H new ATOM 0 HG21 VAL A 97 8.310 5.370 8.392 1.00 73.21 H new ATOM 0 HG22 VAL A 97 8.032 4.513 6.857 1.00 73.21 H new ATOM 0 HG23 VAL A 97 9.523 4.219 7.783 1.00 73.21 H new ATOM 1491 N ARG A 98 8.512 3.950 4.709 1.00 73.43 N ATOM 1492 CA ARG A 98 7.473 3.422 3.832 1.00 43.54 C ATOM 1493 C ARG A 98 6.200 3.121 4.617 1.00 41.15 C ATOM 1494 O ARG A 98 6.252 2.800 5.804 1.00 10.50 O ATOM 1495 CB ARG A 98 7.964 2.155 3.129 1.00 44.31 C ATOM 1496 CG ARG A 98 8.040 0.943 4.042 1.00 71.44 C ATOM 1497 CD ARG A 98 8.503 -0.294 3.288 1.00 41.23 C ATOM 1498 NE ARG A 98 8.394 -1.502 4.101 1.00 62.55 N ATOM 1499 CZ ARG A 98 9.036 -2.633 3.826 1.00 52.15 C ATOM 1500 NH1 ARG A 98 9.828 -2.709 2.765 1.00 60.02 N ATOM 1501 NH2 ARG A 98 8.887 -3.690 4.613 1.00 21.32 N ATOM 0 H ARG A 98 8.747 3.346 5.496 1.00 73.43 H new ATOM 0 HA ARG A 98 7.246 4.180 3.082 1.00 43.54 H new ATOM 0 HB2 ARG A 98 7.298 1.931 2.296 1.00 44.31 H new ATOM 0 HB3 ARG A 98 8.951 2.343 2.706 1.00 44.31 H new ATOM 0 HG2 ARG A 98 8.726 1.148 4.864 1.00 71.44 H new ATOM 0 HG3 ARG A 98 7.061 0.756 4.483 1.00 71.44 H new ATOM 0 HD2 ARG A 98 7.907 -0.411 2.383 1.00 41.23 H new ATOM 0 HD3 ARG A 98 9.538 -0.161 2.973 1.00 41.23 H new ATOM 0 HE ARG A 98 7.793 -1.477 4.925 1.00 62.55 H new ATOM 0 HH11 ARG A 98 9.946 -1.898 2.157 1.00 60.02 H new ATOM 0 HH12 ARG A 98 10.319 -3.578 2.557 1.00 60.02 H new ATOM 0 HH21 ARG A 98 8.279 -3.636 5.430 1.00 21.32 H new ATOM 0 HH22 ARG A 98 9.380 -4.557 4.401 1.00 21.32 H new ATOM 1515 N VAL A 99 5.058 3.225 3.945 1.00 40.21 N ATOM 1516 CA VAL A 99 3.771 2.963 4.579 1.00 5.33 C ATOM 1517 C VAL A 99 3.190 1.633 4.113 1.00 14.14 C ATOM 1518 O VAL A 99 3.368 1.235 2.962 1.00 71.40 O ATOM 1519 CB VAL A 99 2.760 4.086 4.282 1.00 24.02 C ATOM 1520 CG1 VAL A 99 1.417 3.780 4.928 1.00 43.45 C ATOM 1521 CG2 VAL A 99 3.298 5.427 4.760 1.00 73.32 C ATOM 0 H VAL A 99 4.998 3.489 2.962 1.00 40.21 H new ATOM 0 HA VAL A 99 3.950 2.921 5.653 1.00 5.33 H new ATOM 0 HB VAL A 99 2.613 4.143 3.204 1.00 24.02 H new ATOM 0 HG11 VAL A 99 0.715 4.584 4.707 1.00 43.45 H new ATOM 0 HG12 VAL A 99 1.029 2.841 4.533 1.00 43.45 H new ATOM 0 HG13 VAL A 99 1.543 3.695 6.007 1.00 43.45 H new ATOM 0 HG21 VAL A 99 2.571 6.209 4.542 1.00 73.32 H new ATOM 0 HG22 VAL A 99 3.476 5.386 5.835 1.00 73.32 H new ATOM 0 HG23 VAL A 99 4.233 5.648 4.246 1.00 73.32 H new ATOM 1531 N THR A 100 2.492 0.950 5.015 1.00 70.42 N ATOM 1532 CA THR A 100 1.884 -0.335 4.697 1.00 25.33 C ATOM 1533 C THR A 100 0.457 -0.415 5.227 1.00 10.11 C ATOM 1534 O THR A 100 0.081 0.323 6.136 1.00 23.13 O ATOM 1535 CB THR A 100 2.702 -1.504 5.280 1.00 1.15 C ATOM 1536 OG1 THR A 100 4.066 -1.105 5.459 1.00 32.30 O ATOM 1537 CG2 THR A 100 2.639 -2.718 4.366 1.00 31.32 C ATOM 0 H THR A 100 2.334 1.266 5.972 1.00 70.42 H new ATOM 0 HA THR A 100 1.870 -0.417 3.610 1.00 25.33 H new ATOM 0 HB THR A 100 2.273 -1.774 6.245 1.00 1.15 H new ATOM 0 HG1 THR A 100 4.579 -1.852 5.831 1.00 32.30 H new ATOM 0 HG21 THR A 100 3.224 -3.530 4.799 1.00 31.32 H new ATOM 0 HG22 THR A 100 1.602 -3.036 4.255 1.00 31.32 H new ATOM 0 HG23 THR A 100 3.046 -2.459 3.388 1.00 31.32 H new ATOM 1545 N ASN A 101 -0.333 -1.317 4.653 1.00 14.11 N ATOM 1546 CA ASN A 101 -1.720 -1.492 5.069 1.00 72.53 C ATOM 1547 C ASN A 101 -2.492 -0.182 4.954 1.00 15.12 C ATOM 1548 O ASN A 101 -2.471 0.646 5.866 1.00 13.42 O ATOM 1549 CB ASN A 101 -1.781 -2.009 6.507 1.00 22.10 C ATOM 1550 CG ASN A 101 -2.707 -3.202 6.655 1.00 54.44 C ATOM 1551 OD1 ASN A 101 -2.300 -4.346 6.455 1.00 32.54 O ATOM 1552 ND2 ASN A 101 -3.960 -2.937 7.004 1.00 14.12 N ATOM 0 H ASN A 101 -0.037 -1.937 3.899 1.00 14.11 H new ATOM 0 HA ASN A 101 -2.182 -2.224 4.407 1.00 72.53 H new ATOM 0 HB2 ASN A 101 -0.779 -2.288 6.833 1.00 22.10 H new ATOM 0 HB3 ASN A 101 -2.118 -1.207 7.164 1.00 22.10 H new ATOM 0 HD21 ASN A 101 -4.630 -3.698 7.117 1.00 14.12 H new ATOM 0 HD22 ASN A 101 -4.253 -1.972 7.160 1.00 14.12 H new