USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 651 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 83 SER OG : rot -133:sc= 0.668 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0.0762 USER MOD Set 2.1: A 46 GLN : amide:sc= -3.12! K(o=-7.4!,f=-2.5) USER MOD Set 2.2: A 87 ASN : amide:sc= -1.53 K(o=-7.4,f=-16!) USER MOD Set 2.3: A 89 ASN : amide:sc= -2.72! C(o=-7.4!,f=-1.4!) USER MOD Set 2.4: A 90 THR OG1 : rot 42:sc= -0.0565 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -92:sc= 0.899 USER MOD Single : A 25 SER OG : rot 170:sc= 0.0696 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00469) USER MOD Single : A 40 ASN : amide:sc= -0.0255 X(o=-0.026,f=0) USER MOD Single : A 41 THR OG1 : rot -97:sc= 0.543 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.12 K(o=-1.1,f=-2) USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= 0.0694 (180deg=0.0612) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.589 K(o=-0.59,f=-3.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc=-0.00556 K(o=-0.0056,f=-0.57) USER MOD Single : A 66 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 80 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -9:sc= 0.704 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.993 -1.344 1.174 1.00 0.00 N ATOM 2 CA ALA A 1 2.946 -1.250 0.074 1.00 0.00 C ATOM 3 C ALA A 1 3.264 0.205 -0.253 1.00 0.00 C ATOM 4 O ALA A 1 2.362 1.009 -0.491 1.00 0.00 O ATOM 5 CB ALA A 1 2.404 -1.964 -1.156 1.00 0.00 C ATOM 0 H1 ALA A 1 1.794 -2.345 1.376 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.395 -0.893 2.021 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.110 -0.862 0.911 1.00 0.00 H new ATOM 0 HA ALA A 1 3.871 -1.736 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.125 -1.886 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.234 -3.015 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.464 -1.503 -1.459 1.00 0.00 H new ATOM 11 N ILE A 2 4.551 0.536 -0.263 1.00 0.00 N ATOM 12 CA ILE A 2 4.987 1.894 -0.562 1.00 0.00 C ATOM 13 C ILE A 2 4.867 2.195 -2.052 1.00 0.00 C ATOM 14 O ILE A 2 5.167 1.348 -2.893 1.00 0.00 O ATOM 15 CB ILE A 2 6.443 2.129 -0.118 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.575 1.940 1.395 1.00 0.00 C ATOM 17 CG2 ILE A 2 6.904 3.520 -0.526 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.838 0.508 1.805 1.00 0.00 C ATOM 0 H ILE A 2 5.309 -0.117 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 2 4.333 2.565 -0.005 1.00 0.00 H new ATOM 0 HB ILE A 2 7.081 1.397 -0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.386 2.569 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.660 2.285 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.935 3.670 -0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.843 3.620 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.265 4.268 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.920 0.449 2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.016 -0.124 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.768 0.165 1.352 1.00 0.00 H new ATOM 30 N SER A 3 4.427 3.408 -2.371 1.00 0.00 N ATOM 31 CA SER A 3 4.265 3.821 -3.761 1.00 0.00 C ATOM 32 C SER A 3 5.494 4.583 -4.248 1.00 0.00 C ATOM 33 O SER A 3 6.317 4.047 -4.990 1.00 0.00 O ATOM 34 CB SER A 3 3.017 4.692 -3.914 1.00 0.00 C ATOM 35 OG SER A 3 3.054 5.428 -5.124 1.00 0.00 O ATOM 0 H SER A 3 4.176 4.122 -1.687 1.00 0.00 H new ATOM 0 HA SER A 3 4.150 2.924 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.127 4.064 -3.894 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.942 5.378 -3.070 1.00 0.00 H new ATOM 0 HG SER A 3 2.245 5.975 -5.199 1.00 0.00 H new ATOM 41 N CYS A 4 5.611 5.837 -3.824 1.00 0.00 N ATOM 42 CA CYS A 4 6.738 6.675 -4.215 1.00 0.00 C ATOM 43 C CYS A 4 6.658 8.042 -3.543 1.00 0.00 C ATOM 44 O CYS A 4 7.667 8.585 -3.094 1.00 0.00 O ATOM 45 CB CYS A 4 6.772 6.842 -5.736 1.00 0.00 C ATOM 46 SG CYS A 4 8.212 6.067 -6.538 1.00 0.00 S ATOM 0 H CYS A 4 4.938 6.295 -3.209 1.00 0.00 H new ATOM 0 HA CYS A 4 7.655 6.184 -3.890 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.862 6.416 -6.158 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.766 7.906 -5.974 1.00 0.00 H new ATOM 51 N GLY A 5 5.450 8.594 -3.479 1.00 0.00 N ATOM 52 CA GLY A 5 5.261 9.894 -2.860 1.00 0.00 C ATOM 53 C GLY A 5 5.768 9.936 -1.433 1.00 0.00 C ATOM 54 O GLY A 5 6.321 10.944 -0.993 1.00 0.00 O ATOM 0 H GLY A 5 4.600 8.165 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.778 10.652 -3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.201 10.149 -2.873 1.00 0.00 H new ATOM 58 N ALA A 6 5.580 8.839 -0.707 1.00 0.00 N ATOM 59 CA ALA A 6 6.023 8.754 0.679 1.00 0.00 C ATOM 60 C ALA A 6 7.543 8.832 0.775 1.00 0.00 C ATOM 61 O ALA A 6 8.091 9.233 1.803 1.00 0.00 O ATOM 62 CB ALA A 6 5.517 7.469 1.318 1.00 0.00 C ATOM 0 H ALA A 6 5.124 7.996 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 6 5.607 9.604 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.856 7.419 2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.427 7.454 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.905 6.612 0.768 1.00 0.00 H new ATOM 68 N VAL A 7 8.220 8.446 -0.301 1.00 0.00 N ATOM 69 CA VAL A 7 9.677 8.473 -0.338 1.00 0.00 C ATOM 70 C VAL A 7 10.197 9.898 -0.486 1.00 0.00 C ATOM 71 O VAL A 7 11.136 10.304 0.200 1.00 0.00 O ATOM 72 CB VAL A 7 10.225 7.616 -1.495 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.733 7.458 -1.375 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.540 6.258 -1.523 1.00 0.00 C ATOM 0 H VAL A 7 7.783 8.111 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 7 10.025 8.059 0.608 1.00 0.00 H new ATOM 0 HB VAL A 7 10.010 8.126 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.102 6.850 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.205 8.440 -1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.974 6.971 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.939 5.666 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.722 5.739 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.467 6.394 -1.661 1.00 0.00 H new ATOM 84 N THR A 8 9.581 10.657 -1.387 1.00 0.00 N ATOM 85 CA THR A 8 9.981 12.038 -1.626 1.00 0.00 C ATOM 86 C THR A 8 9.732 12.903 -0.396 1.00 0.00 C ATOM 87 O THR A 8 10.387 13.928 -0.203 1.00 0.00 O ATOM 88 CB THR A 8 9.228 12.642 -2.826 1.00 0.00 C ATOM 89 OG1 THR A 8 9.201 11.706 -3.909 1.00 0.00 O ATOM 90 CG2 THR A 8 9.885 13.935 -3.282 1.00 0.00 C ATOM 0 H THR A 8 8.802 10.338 -1.964 1.00 0.00 H new ATOM 0 HA THR A 8 11.048 12.024 -1.847 1.00 0.00 H new ATOM 0 HB THR A 8 8.208 12.863 -2.513 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.719 12.097 -4.667 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.336 14.343 -4.130 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.877 14.655 -2.464 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.915 13.735 -3.579 1.00 0.00 H new ATOM 98 N SER A 9 8.782 12.485 0.434 1.00 0.00 N ATOM 99 CA SER A 9 8.445 13.224 1.645 1.00 0.00 C ATOM 100 C SER A 9 9.612 13.221 2.627 1.00 0.00 C ATOM 101 O SER A 9 10.044 14.273 3.099 1.00 0.00 O ATOM 102 CB SER A 9 7.205 12.621 2.307 1.00 0.00 C ATOM 103 OG SER A 9 6.021 13.232 1.825 1.00 0.00 O ATOM 0 H SER A 9 8.232 11.638 0.290 1.00 0.00 H new ATOM 0 HA SER A 9 8.233 14.256 1.364 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.170 11.549 2.112 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.269 12.747 3.388 1.00 0.00 H new ATOM 0 HG SER A 9 5.243 12.828 2.262 1.00 0.00 H new ATOM 109 N ASP A 10 10.118 12.031 2.930 1.00 0.00 N ATOM 110 CA ASP A 10 11.237 11.888 3.855 1.00 0.00 C ATOM 111 C ASP A 10 12.547 12.298 3.190 1.00 0.00 C ATOM 112 O ASP A 10 13.527 12.615 3.867 1.00 0.00 O ATOM 113 CB ASP A 10 11.333 10.446 4.354 1.00 0.00 C ATOM 114 CG ASP A 10 9.972 9.826 4.599 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.093 10.522 5.149 1.00 0.00 O ATOM 116 OD2 ASP A 10 9.785 8.644 4.241 1.00 0.00 O ATOM 0 H ASP A 10 9.771 11.151 2.549 1.00 0.00 H new ATOM 0 HA ASP A 10 11.060 12.547 4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.875 9.847 3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.911 10.422 5.278 1.00 0.00 H new ATOM 121 N LEU A 11 12.559 12.290 1.862 1.00 0.00 N ATOM 122 CA LEU A 11 13.750 12.660 1.105 1.00 0.00 C ATOM 123 C LEU A 11 14.026 14.156 1.221 1.00 0.00 C ATOM 124 O LEU A 11 15.179 14.583 1.257 1.00 0.00 O ATOM 125 CB LEU A 11 13.584 12.273 -0.366 1.00 0.00 C ATOM 126 CG LEU A 11 13.871 10.812 -0.712 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.254 10.450 -2.054 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.370 10.551 -0.724 1.00 0.00 C ATOM 0 H LEU A 11 11.757 12.031 1.287 1.00 0.00 H new ATOM 0 HA LEU A 11 14.599 12.119 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.562 12.503 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.243 12.903 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 11 13.419 10.182 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.469 9.406 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.175 10.597 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.676 11.087 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.555 9.506 -0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.845 11.190 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.785 10.769 0.260 1.00 0.00 H new ATOM 140 N SER A 12 12.959 14.946 1.280 1.00 0.00 N ATOM 141 CA SER A 12 13.086 16.395 1.390 1.00 0.00 C ATOM 142 C SER A 12 13.969 16.774 2.575 1.00 0.00 C ATOM 143 O SER A 12 14.986 17.452 2.432 1.00 0.00 O ATOM 144 CB SER A 12 11.706 17.039 1.541 1.00 0.00 C ATOM 145 OG SER A 12 11.780 18.230 2.305 1.00 0.00 O ATOM 0 H SER A 12 11.997 14.608 1.254 1.00 0.00 H new ATOM 0 HA SER A 12 13.554 16.765 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.295 17.260 0.556 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.024 16.337 2.021 1.00 0.00 H new ATOM 0 HG SER A 12 10.886 18.623 2.386 1.00 0.00 H new ATOM 151 N PRO A 13 13.571 16.326 3.776 1.00 0.00 N ATOM 152 CA PRO A 13 14.311 16.605 5.010 1.00 0.00 C ATOM 153 C PRO A 13 15.644 15.865 5.066 1.00 0.00 C ATOM 154 O PRO A 13 16.570 16.285 5.761 1.00 0.00 O ATOM 155 CB PRO A 13 13.373 16.099 6.108 1.00 0.00 C ATOM 156 CG PRO A 13 12.538 15.059 5.444 1.00 0.00 C ATOM 157 CD PRO A 13 12.369 15.511 4.020 1.00 0.00 C ATOM 0 HA PRO A 13 14.567 17.660 5.102 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.932 15.682 6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.758 16.906 6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.021 14.083 5.489 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.572 14.959 5.939 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.311 14.666 3.334 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.456 16.092 3.888 1.00 0.00 H new ATOM 165 N CYS A 14 15.735 14.763 4.330 1.00 0.00 N ATOM 166 CA CYS A 14 16.955 13.965 4.295 1.00 0.00 C ATOM 167 C CYS A 14 17.955 14.542 3.297 1.00 0.00 C ATOM 168 O CYS A 14 19.139 14.203 3.321 1.00 0.00 O ATOM 169 CB CYS A 14 16.630 12.515 3.928 1.00 0.00 C ATOM 170 SG CYS A 14 15.959 11.532 5.306 1.00 0.00 S ATOM 0 H CYS A 14 14.978 14.402 3.749 1.00 0.00 H new ATOM 0 HA CYS A 14 17.404 13.990 5.288 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.911 12.511 3.109 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.535 12.033 3.559 1.00 0.00 H new ATOM 175 N LEU A 15 17.471 15.416 2.422 1.00 0.00 N ATOM 176 CA LEU A 15 18.321 16.042 1.415 1.00 0.00 C ATOM 177 C LEU A 15 19.364 16.943 2.068 1.00 0.00 C ATOM 178 O LEU A 15 20.549 16.880 1.739 1.00 0.00 O ATOM 179 CB LEU A 15 17.473 16.852 0.434 1.00 0.00 C ATOM 180 CG LEU A 15 16.987 16.105 -0.809 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.180 17.031 -1.706 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.165 15.515 -1.571 1.00 0.00 C ATOM 0 H LEU A 15 16.494 15.708 2.389 1.00 0.00 H new ATOM 0 HA LEU A 15 18.839 15.252 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.603 17.234 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.053 17.716 0.110 1.00 0.00 H new ATOM 0 HG LEU A 15 16.341 15.288 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.842 16.483 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.315 17.406 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.803 17.869 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.801 14.987 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.837 16.316 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.703 14.819 -0.927 1.00 0.00 H new ATOM 194 N THR A 16 18.916 17.782 2.997 1.00 0.00 N ATOM 195 CA THR A 16 19.810 18.696 3.697 1.00 0.00 C ATOM 196 C THR A 16 21.024 17.960 4.252 1.00 0.00 C ATOM 197 O THR A 16 22.147 18.462 4.194 1.00 0.00 O ATOM 198 CB THR A 16 19.087 19.414 4.852 1.00 0.00 C ATOM 199 OG1 THR A 16 17.760 19.773 4.452 1.00 0.00 O ATOM 200 CG2 THR A 16 19.849 20.661 5.275 1.00 0.00 C ATOM 0 H THR A 16 17.939 17.847 3.282 1.00 0.00 H new ATOM 0 HA THR A 16 20.139 19.436 2.968 1.00 0.00 H new ATOM 0 HB THR A 16 19.038 18.732 5.700 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.307 20.227 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.319 21.151 6.092 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.849 20.381 5.607 1.00 0.00 H new ATOM 0 HG23 THR A 16 19.925 21.345 4.430 1.00 0.00 H new ATOM 208 N TYR A 17 20.792 16.767 4.789 1.00 0.00 N ATOM 209 CA TYR A 17 21.868 15.963 5.356 1.00 0.00 C ATOM 210 C TYR A 17 22.594 15.178 4.268 1.00 0.00 C ATOM 211 O TYR A 17 23.815 15.022 4.307 1.00 0.00 O ATOM 212 CB TYR A 17 21.314 15.002 6.410 1.00 0.00 C ATOM 213 CG TYR A 17 22.378 14.179 7.099 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.356 14.785 7.878 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.407 12.796 6.970 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.332 14.037 8.509 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.378 12.040 7.599 1.00 0.00 C ATOM 218 CZ TYR A 17 24.338 12.665 8.367 1.00 0.00 C ATOM 219 OH TYR A 17 25.307 11.916 8.994 1.00 0.00 O ATOM 0 H TYR A 17 19.869 16.336 4.843 1.00 0.00 H new ATOM 0 HA TYR A 17 22.581 16.639 5.828 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.767 15.574 7.160 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.598 14.331 5.936 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.353 15.859 7.992 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.658 12.303 6.368 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.086 14.524 9.110 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.385 10.966 7.490 1.00 0.00 H new ATOM 0 HH TYR A 17 25.168 10.967 8.793 1.00 0.00 H new ATOM 229 N LEU A 18 21.833 14.686 3.296 1.00 0.00 N ATOM 230 CA LEU A 18 22.402 13.918 2.194 1.00 0.00 C ATOM 231 C LEU A 18 23.272 14.801 1.306 1.00 0.00 C ATOM 232 O LEU A 18 24.020 14.307 0.461 1.00 0.00 O ATOM 233 CB LEU A 18 21.288 13.280 1.362 1.00 0.00 C ATOM 234 CG LEU A 18 20.790 11.916 1.842 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.653 11.423 0.960 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.929 10.908 1.859 1.00 0.00 C ATOM 0 H LEU A 18 20.821 14.805 3.249 1.00 0.00 H new ATOM 0 HA LEU A 18 23.027 13.132 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.441 13.966 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.642 13.175 0.337 1.00 0.00 H new ATOM 0 HG LEU A 18 20.413 12.025 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.311 10.451 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.828 12.134 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.004 11.330 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.556 9.943 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.336 10.802 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.712 11.255 2.533 1.00 0.00 H new ATOM 248 N THR A 19 23.172 16.112 1.504 1.00 0.00 N ATOM 249 CA THR A 19 23.950 17.065 0.723 1.00 0.00 C ATOM 250 C THR A 19 25.243 17.438 1.440 1.00 0.00 C ATOM 251 O THR A 19 26.137 18.046 0.853 1.00 0.00 O ATOM 252 CB THR A 19 23.146 18.347 0.437 1.00 0.00 C ATOM 253 OG1 THR A 19 22.429 18.747 1.610 1.00 0.00 O ATOM 254 CG2 THR A 19 22.171 18.130 -0.710 1.00 0.00 C ATOM 0 H THR A 19 22.559 16.538 2.199 1.00 0.00 H new ATOM 0 HA THR A 19 24.190 16.578 -0.222 1.00 0.00 H new ATOM 0 HB THR A 19 23.846 19.133 0.154 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.529 18.359 1.592 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.615 19.049 -0.893 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.722 17.854 -1.609 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.476 17.331 -0.451 1.00 0.00 H new ATOM 262 N GLY A 20 25.335 17.070 2.714 1.00 0.00 N ATOM 263 CA GLY A 20 26.522 17.375 3.491 1.00 0.00 C ATOM 264 C GLY A 20 26.248 18.364 4.606 1.00 0.00 C ATOM 265 O GLY A 20 27.145 18.710 5.373 1.00 0.00 O ATOM 0 H GLY A 20 24.608 16.566 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 20 26.920 16.454 3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.290 17.780 2.832 1.00 0.00 H new ATOM 269 N GLY A 21 25.003 18.823 4.695 1.00 0.00 N ATOM 270 CA GLY A 21 24.636 19.776 5.726 1.00 0.00 C ATOM 271 C GLY A 21 24.501 19.130 7.091 1.00 0.00 C ATOM 272 O GLY A 21 24.910 17.988 7.304 1.00 0.00 O ATOM 0 H GLY A 21 24.243 18.552 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.388 20.564 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.693 20.252 5.458 1.00 0.00 H new ATOM 276 N PRO A 22 23.915 19.869 8.045 1.00 0.00 N ATOM 277 CA PRO A 22 23.715 19.382 9.413 1.00 0.00 C ATOM 278 C PRO A 22 22.665 18.278 9.487 1.00 0.00 C ATOM 279 O PRO A 22 21.627 18.351 8.831 1.00 0.00 O ATOM 280 CB PRO A 22 23.237 20.626 10.166 1.00 0.00 C ATOM 281 CG PRO A 22 22.620 21.488 9.120 1.00 0.00 C ATOM 282 CD PRO A 22 23.404 21.238 7.861 1.00 0.00 C ATOM 0 HA PRO A 22 24.622 18.940 9.825 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.516 20.367 10.941 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.066 21.134 10.659 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.568 21.239 8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.664 22.539 9.405 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.776 21.317 6.974 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.214 21.957 7.743 1.00 0.00 H new ATOM 290 N GLY A 23 22.944 17.256 10.291 1.00 0.00 N ATOM 291 CA GLY A 23 22.013 16.152 10.437 1.00 0.00 C ATOM 292 C GLY A 23 22.662 14.923 11.041 1.00 0.00 C ATOM 293 O GLY A 23 23.766 14.980 11.582 1.00 0.00 O ATOM 0 H GLY A 23 23.797 17.173 10.843 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.179 16.465 11.065 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.599 15.898 9.461 1.00 0.00 H new ATOM 297 N PRO A 24 21.966 13.779 10.956 1.00 0.00 N ATOM 298 CA PRO A 24 20.650 13.699 10.315 1.00 0.00 C ATOM 299 C PRO A 24 19.569 14.411 11.122 1.00 0.00 C ATOM 300 O PRO A 24 19.506 14.280 12.344 1.00 0.00 O ATOM 301 CB PRO A 24 20.373 12.195 10.260 1.00 0.00 C ATOM 302 CG PRO A 24 21.179 11.620 11.373 1.00 0.00 C ATOM 303 CD PRO A 24 22.411 12.476 11.477 1.00 0.00 C ATOM 0 HA PRO A 24 20.642 14.183 9.339 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.312 11.983 10.389 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.667 11.773 9.299 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.617 11.629 12.307 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.441 10.582 11.169 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.761 12.553 12.506 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.234 12.068 10.890 1.00 0.00 H new ATOM 311 N SER A 25 18.719 15.163 10.430 1.00 0.00 N ATOM 312 CA SER A 25 17.642 15.898 11.082 1.00 0.00 C ATOM 313 C SER A 25 16.653 14.941 11.740 1.00 0.00 C ATOM 314 O SER A 25 16.632 13.741 11.463 1.00 0.00 O ATOM 315 CB SER A 25 16.915 16.785 10.070 1.00 0.00 C ATOM 316 OG SER A 25 16.981 16.232 8.767 1.00 0.00 O ATOM 0 H SER A 25 18.756 15.279 9.417 1.00 0.00 H new ATOM 0 HA SER A 25 18.081 16.528 11.856 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.873 16.901 10.367 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.359 17.780 10.069 1.00 0.00 H new ATOM 0 HG SER A 25 16.379 16.725 8.171 1.00 0.00 H new ATOM 322 N PRO A 26 15.812 15.483 12.634 1.00 0.00 N ATOM 323 CA PRO A 26 14.803 14.696 13.350 1.00 0.00 C ATOM 324 C PRO A 26 13.680 14.222 12.435 1.00 0.00 C ATOM 325 O PRO A 26 13.254 13.069 12.506 1.00 0.00 O ATOM 326 CB PRO A 26 14.264 15.677 14.394 1.00 0.00 C ATOM 327 CG PRO A 26 14.511 17.025 13.810 1.00 0.00 C ATOM 328 CD PRO A 26 15.780 16.905 13.013 1.00 0.00 C ATOM 0 HA PRO A 26 15.224 13.786 13.777 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.202 15.514 14.579 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.776 15.559 15.349 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.680 17.334 13.176 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.611 17.777 14.593 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.767 17.554 12.137 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.653 17.183 13.603 1.00 0.00 H new ATOM 336 N GLN A 27 13.206 15.117 11.575 1.00 0.00 N ATOM 337 CA GLN A 27 12.131 14.789 10.645 1.00 0.00 C ATOM 338 C GLN A 27 12.582 13.728 9.646 1.00 0.00 C ATOM 339 O GLN A 27 11.800 12.864 9.247 1.00 0.00 O ATOM 340 CB GLN A 27 11.670 16.043 9.902 1.00 0.00 C ATOM 341 CG GLN A 27 10.751 16.934 10.723 1.00 0.00 C ATOM 342 CD GLN A 27 10.592 18.318 10.125 1.00 0.00 C ATOM 343 OE1 GLN A 27 11.429 19.196 10.334 1.00 0.00 O ATOM 344 NE2 GLN A 27 9.515 18.519 9.375 1.00 0.00 N ATOM 0 H GLN A 27 13.549 16.075 11.502 1.00 0.00 H new ATOM 0 HA GLN A 27 11.296 14.390 11.220 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.545 16.618 9.600 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.153 15.745 8.990 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.771 16.463 10.804 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.146 17.023 11.735 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.847 17.762 9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.356 19.430 8.945 1.00 0.00 H new ATOM 353 N CYS A 28 13.846 13.799 9.245 1.00 0.00 N ATOM 354 CA CYS A 28 14.401 12.846 8.291 1.00 0.00 C ATOM 355 C CYS A 28 14.425 11.438 8.880 1.00 0.00 C ATOM 356 O CYS A 28 13.950 10.486 8.261 1.00 0.00 O ATOM 357 CB CYS A 28 15.816 13.264 7.885 1.00 0.00 C ATOM 358 SG CYS A 28 16.759 11.962 7.029 1.00 0.00 S ATOM 0 H CYS A 28 14.506 14.507 9.566 1.00 0.00 H new ATOM 0 HA CYS A 28 13.763 12.841 7.407 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.753 14.138 7.237 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.364 13.568 8.777 1.00 0.00 H new ATOM 363 N CYS A 29 14.981 11.315 10.081 1.00 0.00 N ATOM 364 CA CYS A 29 15.067 10.025 10.755 1.00 0.00 C ATOM 365 C CYS A 29 13.703 9.344 10.803 1.00 0.00 C ATOM 366 O CYS A 29 13.565 8.179 10.434 1.00 0.00 O ATOM 367 CB CYS A 29 15.611 10.203 12.174 1.00 0.00 C ATOM 368 SG CYS A 29 17.391 10.583 12.246 1.00 0.00 S ATOM 0 H CYS A 29 15.379 12.093 10.607 1.00 0.00 H new ATOM 0 HA CYS A 29 15.749 9.392 10.188 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.059 11.004 12.665 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.422 9.292 12.741 1.00 0.00 H new ATOM 373 N GLY A 30 12.695 10.081 11.262 1.00 0.00 N ATOM 374 CA GLY A 30 11.355 9.532 11.350 1.00 0.00 C ATOM 375 C GLY A 30 10.868 8.975 10.027 1.00 0.00 C ATOM 376 O GLY A 30 10.289 7.891 9.978 1.00 0.00 O ATOM 0 H GLY A 30 12.783 11.048 11.574 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.338 8.742 12.101 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.669 10.309 11.688 1.00 0.00 H new ATOM 380 N GLY A 31 11.103 9.720 8.951 1.00 0.00 N ATOM 381 CA GLY A 31 10.676 9.278 7.636 1.00 0.00 C ATOM 382 C GLY A 31 11.443 8.062 7.155 1.00 0.00 C ATOM 383 O GLY A 31 10.858 7.124 6.614 1.00 0.00 O ATOM 0 H GLY A 31 11.581 10.621 8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.612 9.045 7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.807 10.092 6.923 1.00 0.00 H new ATOM 387 N VAL A 32 12.758 8.079 7.351 1.00 0.00 N ATOM 388 CA VAL A 32 13.607 6.969 6.933 1.00 0.00 C ATOM 389 C VAL A 32 13.112 5.649 7.514 1.00 0.00 C ATOM 390 O VAL A 32 12.761 4.727 6.778 1.00 0.00 O ATOM 391 CB VAL A 32 15.070 7.190 7.362 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.952 6.063 6.848 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.571 8.538 6.870 1.00 0.00 C ATOM 0 H VAL A 32 13.258 8.848 7.796 1.00 0.00 H new ATOM 0 HA VAL A 32 13.558 6.924 5.845 1.00 0.00 H new ATOM 0 HB VAL A 32 15.116 7.187 8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.982 6.236 7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.604 5.114 7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.904 6.031 5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.606 8.677 7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.512 8.573 5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.955 9.332 7.293 1.00 0.00 H new ATOM 403 N LYS A 33 13.085 5.565 8.840 1.00 0.00 N ATOM 404 CA LYS A 33 12.631 4.359 9.521 1.00 0.00 C ATOM 405 C LYS A 33 11.222 3.981 9.077 1.00 0.00 C ATOM 406 O LYS A 33 10.822 2.820 9.167 1.00 0.00 O ATOM 407 CB LYS A 33 12.661 4.564 11.038 1.00 0.00 C ATOM 408 CG LYS A 33 14.038 4.372 11.650 1.00 0.00 C ATOM 409 CD LYS A 33 14.053 4.755 13.120 1.00 0.00 C ATOM 410 CE LYS A 33 14.128 3.528 14.015 1.00 0.00 C ATOM 411 NZ LYS A 33 12.815 2.832 14.113 1.00 0.00 N ATOM 0 H LYS A 33 13.372 6.319 9.464 1.00 0.00 H new ATOM 0 HA LYS A 33 13.307 3.546 9.256 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.307 5.569 11.268 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.965 3.867 11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.344 3.331 11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.765 4.976 11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.905 5.404 13.319 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.155 5.326 13.358 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.876 2.839 13.624 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.457 3.824 15.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.908 2.001 14.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.106 3.482 14.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.513 2.526 13.166 1.00 0.00 H new ATOM 425 N LYS A 34 10.473 4.967 8.595 1.00 0.00 N ATOM 426 CA LYS A 34 9.109 4.738 8.133 1.00 0.00 C ATOM 427 C LYS A 34 9.103 3.971 6.815 1.00 0.00 C ATOM 428 O LYS A 34 8.315 3.042 6.628 1.00 0.00 O ATOM 429 CB LYS A 34 8.375 6.070 7.964 1.00 0.00 C ATOM 430 CG LYS A 34 6.865 5.949 8.063 1.00 0.00 C ATOM 431 CD LYS A 34 6.357 6.394 9.424 1.00 0.00 C ATOM 432 CE LYS A 34 4.892 6.036 9.617 1.00 0.00 C ATOM 433 NZ LYS A 34 4.710 4.589 9.920 1.00 0.00 N ATOM 0 H LYS A 34 10.788 5.934 8.514 1.00 0.00 H new ATOM 0 HA LYS A 34 8.593 4.139 8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.726 6.768 8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.634 6.498 6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.399 6.553 7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.570 4.915 7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.953 5.925 10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.486 7.471 9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.476 6.632 10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.334 6.291 8.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.703 4.395 10.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.037 4.021 9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.263 4.339 10.765 1.00 0.00 H new ATOM 447 N LEU A 35 9.986 4.363 5.903 1.00 0.00 N ATOM 448 CA LEU A 35 10.084 3.711 4.602 1.00 0.00 C ATOM 449 C LEU A 35 10.559 2.270 4.749 1.00 0.00 C ATOM 450 O LEU A 35 10.188 1.399 3.961 1.00 0.00 O ATOM 451 CB LEU A 35 11.040 4.485 3.692 1.00 0.00 C ATOM 452 CG LEU A 35 11.007 4.110 2.210 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.586 5.232 1.363 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.768 2.813 1.972 1.00 0.00 C ATOM 0 H LEU A 35 10.645 5.130 6.041 1.00 0.00 H new ATOM 0 HA LEU A 35 9.091 3.702 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.815 5.548 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.056 4.342 4.060 1.00 0.00 H new ATOM 0 HG LEU A 35 9.968 3.959 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.554 4.947 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.000 6.139 1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.619 5.415 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.735 2.561 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.805 2.938 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.310 2.011 2.551 1.00 0.00 H new ATOM 466 N LEU A 36 11.380 2.024 5.764 1.00 0.00 N ATOM 467 CA LEU A 36 11.905 0.686 6.017 1.00 0.00 C ATOM 468 C LEU A 36 10.925 -0.135 6.848 1.00 0.00 C ATOM 469 O LEU A 36 10.801 -1.346 6.662 1.00 0.00 O ATOM 470 CB LEU A 36 13.253 0.773 6.736 1.00 0.00 C ATOM 471 CG LEU A 36 14.249 1.788 6.174 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.486 1.865 7.054 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.630 1.427 4.745 1.00 0.00 C ATOM 0 H LEU A 36 11.697 2.733 6.425 1.00 0.00 H new ATOM 0 HA LEU A 36 12.044 0.189 5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 36 13.069 1.016 7.783 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.718 -0.213 6.714 1.00 0.00 H new ATOM 0 HG LEU A 36 13.773 2.769 6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.183 2.592 6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.199 2.172 8.060 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.964 0.886 7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.339 2.160 4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 36 15.087 0.437 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.737 1.425 4.120 1.00 0.00 H new ATOM 485 N ALA A 37 10.229 0.532 7.763 1.00 0.00 N ATOM 486 CA ALA A 37 9.256 -0.136 8.619 1.00 0.00 C ATOM 487 C ALA A 37 7.982 -0.465 7.850 1.00 0.00 C ATOM 488 O ALA A 37 7.330 -1.475 8.112 1.00 0.00 O ATOM 489 CB ALA A 37 8.936 0.730 9.829 1.00 0.00 C ATOM 0 H ALA A 37 10.321 1.534 7.930 1.00 0.00 H new ATOM 0 HA ALA A 37 9.694 -1.074 8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.208 0.219 10.460 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.847 0.910 10.399 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.523 1.682 9.496 1.00 0.00 H new ATOM 495 N ALA A 38 7.631 0.395 6.899 1.00 0.00 N ATOM 496 CA ALA A 38 6.435 0.195 6.091 1.00 0.00 C ATOM 497 C ALA A 38 6.710 -0.753 4.929 1.00 0.00 C ATOM 498 O ALA A 38 5.813 -1.071 4.149 1.00 0.00 O ATOM 499 CB ALA A 38 5.917 1.529 5.575 1.00 0.00 C ATOM 0 H ALA A 38 8.159 1.237 6.670 1.00 0.00 H new ATOM 0 HA ALA A 38 5.671 -0.259 6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.023 1.364 4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.672 2.175 6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.684 2.005 4.964 1.00 0.00 H new ATOM 505 N ALA A 39 7.957 -1.201 4.819 1.00 0.00 N ATOM 506 CA ALA A 39 8.349 -2.114 3.752 1.00 0.00 C ATOM 507 C ALA A 39 8.987 -3.378 4.318 1.00 0.00 C ATOM 508 O ALA A 39 10.115 -3.350 4.807 1.00 0.00 O ATOM 509 CB ALA A 39 9.306 -1.423 2.792 1.00 0.00 C ATOM 0 H ALA A 39 8.712 -0.947 5.455 1.00 0.00 H new ATOM 0 HA ALA A 39 7.451 -2.404 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.591 -2.116 2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.817 -0.553 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.197 -1.104 3.333 1.00 0.00 H new ATOM 515 N ASN A 40 8.255 -4.485 4.250 1.00 0.00 N ATOM 516 CA ASN A 40 8.749 -5.760 4.758 1.00 0.00 C ATOM 517 C ASN A 40 8.904 -6.773 3.627 1.00 0.00 C ATOM 518 O ASN A 40 9.706 -7.703 3.716 1.00 0.00 O ATOM 519 CB ASN A 40 7.799 -6.311 5.824 1.00 0.00 C ATOM 520 CG ASN A 40 8.318 -7.588 6.456 1.00 0.00 C ATOM 521 OD1 ASN A 40 7.646 -8.620 6.440 1.00 0.00 O ATOM 522 ND2 ASN A 40 9.520 -7.525 7.017 1.00 0.00 N ATOM 0 H ASN A 40 7.318 -4.525 3.848 1.00 0.00 H new ATOM 0 HA ASN A 40 9.728 -5.589 5.206 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.652 -5.559 6.599 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.824 -6.501 5.375 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.921 -8.353 7.458 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.042 -6.649 7.007 1.00 0.00 H new ATOM 529 N THR A 41 8.131 -6.585 2.561 1.00 0.00 N ATOM 530 CA THR A 41 8.182 -7.481 1.413 1.00 0.00 C ATOM 531 C THR A 41 9.112 -6.939 0.334 1.00 0.00 C ATOM 532 O THR A 41 9.802 -5.940 0.538 1.00 0.00 O ATOM 533 CB THR A 41 6.782 -7.697 0.807 1.00 0.00 C ATOM 534 OG1 THR A 41 6.337 -6.498 0.162 1.00 0.00 O ATOM 535 CG2 THR A 41 5.784 -8.101 1.881 1.00 0.00 C ATOM 0 H THR A 41 7.462 -5.820 2.470 1.00 0.00 H new ATOM 0 HA THR A 41 8.565 -8.436 1.773 1.00 0.00 H new ATOM 0 HB THR A 41 6.848 -8.501 0.074 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.758 -5.994 0.772 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.803 -8.248 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.110 -9.029 2.350 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.723 -7.316 2.635 1.00 0.00 H new ATOM 543 N THR A 42 9.126 -7.604 -0.817 1.00 0.00 N ATOM 544 CA THR A 42 9.973 -7.189 -1.929 1.00 0.00 C ATOM 545 C THR A 42 9.317 -6.072 -2.732 1.00 0.00 C ATOM 546 O THR A 42 9.916 -5.029 -2.994 1.00 0.00 O ATOM 547 CB THR A 42 10.282 -8.369 -2.870 1.00 0.00 C ATOM 548 OG1 THR A 42 11.479 -9.032 -2.448 1.00 0.00 O ATOM 549 CG2 THR A 42 10.441 -7.889 -4.305 1.00 0.00 C ATOM 0 H THR A 42 8.561 -8.432 -1.004 1.00 0.00 H new ATOM 0 HA THR A 42 10.905 -6.824 -1.498 1.00 0.00 H new ATOM 0 HB THR A 42 9.446 -9.068 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.667 -9.782 -3.050 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.659 -8.739 -4.951 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.518 -7.411 -4.633 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.260 -7.172 -4.360 1.00 0.00 H new ATOM 557 N PRO A 43 8.056 -6.292 -3.134 1.00 0.00 N ATOM 558 CA PRO A 43 7.291 -5.314 -3.912 1.00 0.00 C ATOM 559 C PRO A 43 7.369 -3.911 -3.318 1.00 0.00 C ATOM 560 O PRO A 43 7.612 -2.938 -4.032 1.00 0.00 O ATOM 561 CB PRO A 43 5.857 -5.845 -3.840 1.00 0.00 C ATOM 562 CG PRO A 43 6.008 -7.311 -3.622 1.00 0.00 C ATOM 563 CD PRO A 43 7.280 -7.513 -2.858 1.00 0.00 C ATOM 0 HA PRO A 43 7.673 -5.215 -4.928 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.302 -5.379 -3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.310 -5.635 -4.759 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.158 -7.708 -3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.042 -7.841 -4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.091 -7.634 -1.791 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.809 -8.406 -3.191 1.00 0.00 H new ATOM 571 N ASP A 44 7.163 -3.816 -2.010 1.00 0.00 N ATOM 572 CA ASP A 44 7.212 -2.532 -1.319 1.00 0.00 C ATOM 573 C ASP A 44 8.616 -1.937 -1.378 1.00 0.00 C ATOM 574 O ASP A 44 8.788 -0.756 -1.679 1.00 0.00 O ATOM 575 CB ASP A 44 6.774 -2.694 0.137 1.00 0.00 C ATOM 576 CG ASP A 44 5.603 -3.645 0.286 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.776 -3.720 -0.647 1.00 0.00 O ATOM 578 OD2 ASP A 44 5.512 -4.314 1.337 1.00 0.00 O ATOM 0 H ASP A 44 6.960 -4.612 -1.406 1.00 0.00 H new ATOM 0 HA ASP A 44 6.526 -1.850 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.614 -3.061 0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.501 -1.720 0.542 1.00 0.00 H new ATOM 583 N ARG A 45 9.616 -2.763 -1.087 1.00 0.00 N ATOM 584 CA ARG A 45 11.004 -2.318 -1.105 1.00 0.00 C ATOM 585 C ARG A 45 11.418 -1.882 -2.507 1.00 0.00 C ATOM 586 O ARG A 45 12.292 -1.031 -2.670 1.00 0.00 O ATOM 587 CB ARG A 45 11.926 -3.435 -0.613 1.00 0.00 C ATOM 588 CG ARG A 45 11.731 -3.785 0.853 1.00 0.00 C ATOM 589 CD ARG A 45 12.773 -3.109 1.731 1.00 0.00 C ATOM 590 NE ARG A 45 12.425 -3.179 3.147 1.00 0.00 N ATOM 591 CZ ARG A 45 13.217 -2.747 4.121 1.00 0.00 C ATOM 592 NH1 ARG A 45 14.397 -2.215 3.834 1.00 0.00 N ATOM 593 NH2 ARG A 45 12.830 -2.845 5.387 1.00 0.00 N ATOM 0 H ARG A 45 9.491 -3.744 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 45 11.093 -1.462 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.756 -4.327 -1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.962 -3.136 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.734 -3.482 1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.791 -4.866 0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.742 -3.582 1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.875 -2.065 1.434 1.00 0.00 H new ATOM 0 HE ARG A 45 11.523 -3.582 3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.698 -2.137 2.863 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.003 -1.884 4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.923 -3.253 5.613 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.440 -2.513 6.134 1.00 0.00 H new ATOM 607 N GLN A 46 10.784 -2.471 -3.516 1.00 0.00 N ATOM 608 CA GLN A 46 11.087 -2.144 -4.904 1.00 0.00 C ATOM 609 C GLN A 46 10.642 -0.724 -5.238 1.00 0.00 C ATOM 610 O GLN A 46 11.418 0.071 -5.768 1.00 0.00 O ATOM 611 CB GLN A 46 10.406 -3.139 -5.845 1.00 0.00 C ATOM 612 CG GLN A 46 11.264 -4.351 -6.173 1.00 0.00 C ATOM 613 CD GLN A 46 12.449 -4.005 -7.055 1.00 0.00 C ATOM 614 OE1 GLN A 46 13.599 -4.064 -6.619 1.00 0.00 O ATOM 615 NE2 GLN A 46 12.173 -3.643 -8.302 1.00 0.00 N ATOM 0 H GLN A 46 10.057 -3.177 -3.398 1.00 0.00 H new ATOM 0 HA GLN A 46 12.167 -2.208 -5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.474 -3.476 -5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.143 -2.629 -6.772 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.624 -4.798 -5.246 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.651 -5.101 -6.672 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.205 -3.608 -8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.929 -3.400 -8.942 1.00 0.00 H new ATOM 624 N ALA A 47 9.389 -0.413 -4.926 1.00 0.00 N ATOM 625 CA ALA A 47 8.841 0.911 -5.193 1.00 0.00 C ATOM 626 C ALA A 47 9.704 1.999 -4.562 1.00 0.00 C ATOM 627 O ALA A 47 10.078 2.969 -5.221 1.00 0.00 O ATOM 628 CB ALA A 47 7.412 1.005 -4.679 1.00 0.00 C ATOM 0 H ALA A 47 8.734 -1.060 -4.488 1.00 0.00 H new ATOM 0 HA ALA A 47 8.838 1.065 -6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.016 1.999 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.796 0.258 -5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.399 0.825 -3.604 1.00 0.00 H new ATOM 634 N ALA A 48 10.017 1.831 -3.281 1.00 0.00 N ATOM 635 CA ALA A 48 10.837 2.798 -2.562 1.00 0.00 C ATOM 636 C ALA A 48 12.231 2.897 -3.171 1.00 0.00 C ATOM 637 O ALA A 48 12.684 3.981 -3.540 1.00 0.00 O ATOM 638 CB ALA A 48 10.927 2.423 -1.090 1.00 0.00 C ATOM 0 H ALA A 48 9.715 1.034 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 48 10.362 3.775 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.542 3.154 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.927 2.412 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.376 1.434 -0.993 1.00 0.00 H new ATOM 644 N CYS A 49 12.908 1.758 -3.274 1.00 0.00 N ATOM 645 CA CYS A 49 14.252 1.715 -3.837 1.00 0.00 C ATOM 646 C CYS A 49 14.310 2.465 -5.165 1.00 0.00 C ATOM 647 O CYS A 49 15.314 3.097 -5.489 1.00 0.00 O ATOM 648 CB CYS A 49 14.698 0.265 -4.038 1.00 0.00 C ATOM 649 SG CYS A 49 15.566 -0.451 -2.606 1.00 0.00 S ATOM 0 H CYS A 49 12.547 0.852 -2.975 1.00 0.00 H new ATOM 0 HA CYS A 49 14.928 2.202 -3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 49 13.823 -0.345 -4.261 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.352 0.215 -4.908 1.00 0.00 H new ATOM 654 N ASN A 50 13.224 2.390 -5.928 1.00 0.00 N ATOM 655 CA ASN A 50 13.151 3.062 -7.220 1.00 0.00 C ATOM 656 C ASN A 50 13.239 4.576 -7.053 1.00 0.00 C ATOM 657 O ASN A 50 14.160 5.215 -7.563 1.00 0.00 O ATOM 658 CB ASN A 50 11.851 2.692 -7.937 1.00 0.00 C ATOM 659 CG ASN A 50 11.784 1.219 -8.291 1.00 0.00 C ATOM 660 OD1 ASN A 50 12.812 0.566 -8.471 1.00 0.00 O ATOM 661 ND2 ASN A 50 10.571 0.689 -8.392 1.00 0.00 N ATOM 0 H ASN A 50 12.383 1.871 -5.674 1.00 0.00 H new ATOM 0 HA ASN A 50 13.998 2.731 -7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.003 2.949 -7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.759 3.286 -8.846 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.464 -0.298 -8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.747 1.268 -8.234 1.00 0.00 H new ATOM 668 N CYS A 51 12.277 5.143 -6.334 1.00 0.00 N ATOM 669 CA CYS A 51 12.244 6.582 -6.098 1.00 0.00 C ATOM 670 C CYS A 51 13.456 7.027 -5.284 1.00 0.00 C ATOM 671 O CYS A 51 13.860 8.189 -5.336 1.00 0.00 O ATOM 672 CB CYS A 51 10.956 6.972 -5.371 1.00 0.00 C ATOM 673 SG CYS A 51 9.601 7.477 -6.478 1.00 0.00 S ATOM 0 H CYS A 51 11.509 4.628 -5.904 1.00 0.00 H new ATOM 0 HA CYS A 51 12.273 7.084 -7.065 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.622 6.128 -4.768 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.173 7.789 -4.683 1.00 0.00 H new ATOM 678 N LEU A 52 14.031 6.094 -4.532 1.00 0.00 N ATOM 679 CA LEU A 52 15.197 6.389 -3.707 1.00 0.00 C ATOM 680 C LEU A 52 16.457 6.490 -4.560 1.00 0.00 C ATOM 681 O LEU A 52 17.096 7.540 -4.622 1.00 0.00 O ATOM 682 CB LEU A 52 15.376 5.310 -2.638 1.00 0.00 C ATOM 683 CG LEU A 52 14.585 5.508 -1.344 1.00 0.00 C ATOM 684 CD1 LEU A 52 14.767 4.315 -0.419 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.011 6.794 -0.651 1.00 0.00 C ATOM 0 H LEU A 52 13.709 5.128 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 52 15.033 7.350 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.094 4.350 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.435 5.248 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 52 13.527 5.588 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.197 4.474 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.412 3.412 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.823 4.203 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.438 6.919 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.073 6.744 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.827 7.641 -1.311 1.00 0.00 H new ATOM 697 N LYS A 53 16.809 5.390 -5.218 1.00 0.00 N ATOM 698 CA LYS A 53 17.991 5.354 -6.072 1.00 0.00 C ATOM 699 C LYS A 53 17.990 6.523 -7.052 1.00 0.00 C ATOM 700 O LYS A 53 19.034 7.114 -7.328 1.00 0.00 O ATOM 701 CB LYS A 53 18.050 4.032 -6.840 1.00 0.00 C ATOM 702 CG LYS A 53 19.464 3.542 -7.100 1.00 0.00 C ATOM 703 CD LYS A 53 19.790 2.312 -6.270 1.00 0.00 C ATOM 704 CE LYS A 53 19.682 2.599 -4.781 1.00 0.00 C ATOM 705 NZ LYS A 53 18.678 1.721 -4.118 1.00 0.00 N ATOM 0 H LYS A 53 16.292 4.511 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 53 18.871 5.437 -5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.508 3.271 -6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.535 4.152 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.580 3.309 -8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.174 4.336 -6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.110 1.502 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 53 20.799 1.971 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 53 20.656 2.456 -4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.407 3.643 -4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.753 1.826 -3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.722 1.993 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.857 0.730 -4.379 1.00 0.00 H new ATOM 719 N SER A 54 16.813 6.853 -7.572 1.00 0.00 N ATOM 720 CA SER A 54 16.677 7.950 -8.523 1.00 0.00 C ATOM 721 C SER A 54 16.770 9.298 -7.814 1.00 0.00 C ATOM 722 O SER A 54 17.222 10.286 -8.391 1.00 0.00 O ATOM 723 CB SER A 54 15.346 7.845 -9.270 1.00 0.00 C ATOM 724 OG SER A 54 15.424 6.895 -10.318 1.00 0.00 O ATOM 0 H SER A 54 15.939 6.376 -7.351 1.00 0.00 H new ATOM 0 HA SER A 54 17.494 7.879 -9.241 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.556 7.560 -8.575 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.076 8.819 -9.677 1.00 0.00 H new ATOM 0 HG SER A 54 14.561 6.845 -10.779 1.00 0.00 H new ATOM 730 N ALA A 55 16.338 9.329 -6.557 1.00 0.00 N ATOM 731 CA ALA A 55 16.373 10.554 -5.767 1.00 0.00 C ATOM 732 C ALA A 55 17.807 10.947 -5.428 1.00 0.00 C ATOM 733 O ALA A 55 18.235 12.067 -5.705 1.00 0.00 O ATOM 734 CB ALA A 55 15.555 10.385 -4.495 1.00 0.00 C ATOM 0 H ALA A 55 15.960 8.520 -6.064 1.00 0.00 H new ATOM 0 HA ALA A 55 15.936 11.355 -6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.590 11.307 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.521 10.159 -4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.968 9.568 -3.903 1.00 0.00 H new ATOM 740 N ALA A 56 18.544 10.019 -4.828 1.00 0.00 N ATOM 741 CA ALA A 56 19.930 10.269 -4.452 1.00 0.00 C ATOM 742 C ALA A 56 20.803 10.479 -5.685 1.00 0.00 C ATOM 743 O ALA A 56 21.854 11.114 -5.612 1.00 0.00 O ATOM 744 CB ALA A 56 20.466 9.117 -3.614 1.00 0.00 C ATOM 0 H ALA A 56 18.205 9.087 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 56 19.960 11.182 -3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.502 9.317 -3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.865 9.014 -2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.415 8.193 -4.190 1.00 0.00 H new ATOM 750 N GLY A 57 20.361 9.940 -6.817 1.00 0.00 N ATOM 751 CA GLY A 57 21.115 10.079 -8.049 1.00 0.00 C ATOM 752 C GLY A 57 21.290 11.527 -8.461 1.00 0.00 C ATOM 753 O GLY A 57 22.166 11.850 -9.263 1.00 0.00 O ATOM 0 H GLY A 57 19.494 9.409 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 57 22.095 9.619 -7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 57 20.606 9.537 -8.846 1.00 0.00 H new ATOM 757 N SER A 58 20.453 12.402 -7.913 1.00 0.00 N ATOM 758 CA SER A 58 20.515 13.824 -8.233 1.00 0.00 C ATOM 759 C SER A 58 21.253 14.594 -7.142 1.00 0.00 C ATOM 760 O SER A 58 21.085 15.806 -7.001 1.00 0.00 O ATOM 761 CB SER A 58 19.105 14.391 -8.409 1.00 0.00 C ATOM 762 OG SER A 58 18.465 13.825 -9.539 1.00 0.00 O ATOM 0 H SER A 58 19.724 12.152 -7.245 1.00 0.00 H new ATOM 0 HA SER A 58 21.063 13.937 -9.168 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.515 14.191 -7.515 1.00 0.00 H new ATOM 0 HB3 SER A 58 19.157 15.474 -8.521 1.00 0.00 H new ATOM 0 HG SER A 58 17.565 14.202 -9.628 1.00 0.00 H new ATOM 768 N ILE A 59 22.069 13.882 -6.372 1.00 0.00 N ATOM 769 CA ILE A 59 22.833 14.498 -5.295 1.00 0.00 C ATOM 770 C ILE A 59 24.235 14.877 -5.762 1.00 0.00 C ATOM 771 O ILE A 59 25.076 14.012 -6.005 1.00 0.00 O ATOM 772 CB ILE A 59 22.946 13.561 -4.078 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.555 13.212 -3.544 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.791 14.206 -2.989 1.00 0.00 C ATOM 775 CD1 ILE A 59 20.817 14.397 -2.962 1.00 0.00 C ATOM 0 H ILE A 59 22.218 12.878 -6.474 1.00 0.00 H new ATOM 0 HA ILE A 59 22.294 15.399 -5.001 1.00 0.00 H new ATOM 0 HB ILE A 59 23.436 12.639 -4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.961 12.785 -4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.651 12.442 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.861 13.531 -2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.790 14.408 -3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.328 15.141 -2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 59 19.839 14.076 -2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.390 14.811 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 59 20.689 15.159 -3.731 1.00 0.00 H new ATOM 787 N THR A 60 24.480 16.178 -5.885 1.00 0.00 N ATOM 788 CA THR A 60 25.779 16.673 -6.322 1.00 0.00 C ATOM 789 C THR A 60 26.897 16.141 -5.433 1.00 0.00 C ATOM 790 O THR A 60 26.964 16.458 -4.245 1.00 0.00 O ATOM 791 CB THR A 60 25.824 18.213 -6.318 1.00 0.00 C ATOM 792 OG1 THR A 60 27.170 18.664 -6.504 1.00 0.00 O ATOM 793 CG2 THR A 60 25.274 18.767 -5.013 1.00 0.00 C ATOM 0 H THR A 60 23.795 16.908 -5.688 1.00 0.00 H new ATOM 0 HA THR A 60 25.927 16.315 -7.341 1.00 0.00 H new ATOM 0 HB THR A 60 25.203 18.575 -7.138 1.00 0.00 H new ATOM 0 HG1 THR A 60 27.190 19.644 -6.502 1.00 0.00 H new ATOM 0 HG21 THR A 60 25.316 19.856 -5.034 1.00 0.00 H new ATOM 0 HG22 THR A 60 24.240 18.446 -4.889 1.00 0.00 H new ATOM 0 HG23 THR A 60 25.871 18.397 -4.180 1.00 0.00 H new ATOM 801 N LYS A 61 27.775 15.332 -6.016 1.00 0.00 N ATOM 802 CA LYS A 61 28.893 14.757 -5.278 1.00 0.00 C ATOM 803 C LYS A 61 28.398 13.941 -4.088 1.00 0.00 C ATOM 804 O LYS A 61 28.821 14.160 -2.952 1.00 0.00 O ATOM 805 CB LYS A 61 29.835 15.862 -4.795 1.00 0.00 C ATOM 806 CG LYS A 61 30.813 16.335 -5.857 1.00 0.00 C ATOM 807 CD LYS A 61 31.811 17.331 -5.292 1.00 0.00 C ATOM 808 CE LYS A 61 33.107 17.334 -6.087 1.00 0.00 C ATOM 809 NZ LYS A 61 34.176 16.547 -5.411 1.00 0.00 N ATOM 0 H LYS A 61 27.734 15.060 -6.998 1.00 0.00 H new ATOM 0 HA LYS A 61 29.436 14.093 -5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.242 16.711 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.395 15.499 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 61 31.346 15.478 -6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.264 16.795 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.375 18.330 -5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.022 17.085 -4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 61 32.925 16.921 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 61 33.445 18.361 -6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 35.043 16.574 -5.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.368 16.956 -4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.864 15.561 -5.301 1.00 0.00 H new ATOM 823 N LEU A 62 27.500 12.999 -4.355 1.00 0.00 N ATOM 824 CA LEU A 62 26.948 12.148 -3.306 1.00 0.00 C ATOM 825 C LEU A 62 28.060 11.517 -2.475 1.00 0.00 C ATOM 826 O LEU A 62 29.083 11.092 -3.011 1.00 0.00 O ATOM 827 CB LEU A 62 26.070 11.056 -3.918 1.00 0.00 C ATOM 828 CG LEU A 62 25.539 9.999 -2.948 1.00 0.00 C ATOM 829 CD1 LEU A 62 24.192 10.422 -2.383 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.430 8.648 -3.639 1.00 0.00 C ATOM 0 H LEU A 62 27.138 12.805 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 62 26.339 12.770 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 62 25.220 11.532 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.642 10.551 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 62 26.243 9.905 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.830 9.658 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.301 11.367 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.478 10.545 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 62 25.051 7.908 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.747 8.726 -4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.414 8.340 -3.994 1.00 0.00 H new ATOM 842 N ASN A 63 27.851 11.458 -1.164 1.00 0.00 N ATOM 843 CA ASN A 63 28.836 10.876 -0.259 1.00 0.00 C ATOM 844 C ASN A 63 28.347 9.540 0.291 1.00 0.00 C ATOM 845 O ASN A 63 27.494 9.495 1.178 1.00 0.00 O ATOM 846 CB ASN A 63 29.130 11.838 0.894 1.00 0.00 C ATOM 847 CG ASN A 63 30.545 11.694 1.420 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.998 10.590 1.722 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.251 12.814 1.532 1.00 0.00 N ATOM 0 H ASN A 63 27.009 11.806 -0.705 1.00 0.00 H new ATOM 0 HA ASN A 63 29.753 10.703 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.973 12.863 0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.424 11.656 1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.209 12.780 1.880 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.835 13.708 1.270 1.00 0.00 H new ATOM 856 N THR A 64 28.894 8.451 -0.241 1.00 0.00 N ATOM 857 CA THR A 64 28.514 7.113 0.195 1.00 0.00 C ATOM 858 C THR A 64 28.652 6.968 1.706 1.00 0.00 C ATOM 859 O THR A 64 27.862 6.276 2.347 1.00 0.00 O ATOM 860 CB THR A 64 29.370 6.033 -0.494 1.00 0.00 C ATOM 861 OG1 THR A 64 30.755 6.390 -0.428 1.00 0.00 O ATOM 862 CG2 THR A 64 28.955 5.859 -1.947 1.00 0.00 C ATOM 0 H THR A 64 29.602 8.470 -0.975 1.00 0.00 H new ATOM 0 HA THR A 64 27.470 6.973 -0.087 1.00 0.00 H new ATOM 0 HB THR A 64 29.213 5.089 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.293 5.698 -0.867 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.573 5.091 -2.413 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.908 5.559 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 64 29.086 6.802 -2.478 1.00 0.00 H new ATOM 870 N ASN A 65 29.661 7.624 2.269 1.00 0.00 N ATOM 871 CA ASN A 65 29.903 7.568 3.706 1.00 0.00 C ATOM 872 C ASN A 65 28.775 8.250 4.475 1.00 0.00 C ATOM 873 O ASN A 65 28.311 7.744 5.496 1.00 0.00 O ATOM 874 CB ASN A 65 31.240 8.229 4.047 1.00 0.00 C ATOM 875 CG ASN A 65 32.426 7.369 3.658 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.421 6.155 3.863 1.00 0.00 O ATOM 877 ND2 ASN A 65 33.451 7.996 3.093 1.00 0.00 N ATOM 0 H ASN A 65 30.325 8.201 1.752 1.00 0.00 H new ATOM 0 HA ASN A 65 29.939 6.519 4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.308 9.189 3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.279 8.434 5.117 1.00 0.00 H new ATOM 0 HD21 ASN A 65 34.277 7.470 2.810 1.00 0.00 H new ATOM 0 HD22 ASN A 65 33.412 9.004 2.942 1.00 0.00 H new ATOM 884 N ASN A 66 28.338 9.401 3.975 1.00 0.00 N ATOM 885 CA ASN A 66 27.264 10.153 4.615 1.00 0.00 C ATOM 886 C ASN A 66 25.932 9.424 4.475 1.00 0.00 C ATOM 887 O ASN A 66 25.141 9.368 5.417 1.00 0.00 O ATOM 888 CB ASN A 66 27.159 11.552 4.003 1.00 0.00 C ATOM 889 CG ASN A 66 28.458 12.327 4.106 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.410 11.884 4.749 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.504 13.492 3.470 1.00 0.00 N ATOM 0 H ASN A 66 28.710 9.833 3.130 1.00 0.00 H new ATOM 0 HA ASN A 66 27.499 10.244 5.676 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.872 11.466 2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.367 12.107 4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.352 14.058 3.503 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.691 13.821 2.949 1.00 0.00 H new ATOM 898 N ALA A 67 25.690 8.865 3.294 1.00 0.00 N ATOM 899 CA ALA A 67 24.455 8.137 3.032 1.00 0.00 C ATOM 900 C ALA A 67 24.273 6.990 4.020 1.00 0.00 C ATOM 901 O ALA A 67 23.164 6.726 4.483 1.00 0.00 O ATOM 902 CB ALA A 67 24.444 7.612 1.604 1.00 0.00 C ATOM 0 H ALA A 67 26.333 8.902 2.503 1.00 0.00 H new ATOM 0 HA ALA A 67 23.622 8.828 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.516 7.070 1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.518 8.448 0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.290 6.941 1.457 1.00 0.00 H new ATOM 908 N ALA A 68 25.370 6.311 4.339 1.00 0.00 N ATOM 909 CA ALA A 68 25.332 5.193 5.273 1.00 0.00 C ATOM 910 C ALA A 68 25.219 5.684 6.713 1.00 0.00 C ATOM 911 O ALA A 68 24.674 4.993 7.573 1.00 0.00 O ATOM 912 CB ALA A 68 26.569 4.323 5.106 1.00 0.00 C ATOM 0 H ALA A 68 26.296 6.516 3.964 1.00 0.00 H new ATOM 0 HA ALA A 68 24.448 4.595 5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.527 3.492 5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.606 3.935 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.461 4.918 5.300 1.00 0.00 H new ATOM 918 N ALA A 69 25.739 6.880 6.968 1.00 0.00 N ATOM 919 CA ALA A 69 25.695 7.463 8.303 1.00 0.00 C ATOM 920 C ALA A 69 24.288 7.941 8.647 1.00 0.00 C ATOM 921 O ALA A 69 23.920 8.027 9.819 1.00 0.00 O ATOM 922 CB ALA A 69 26.685 8.613 8.409 1.00 0.00 C ATOM 0 H ALA A 69 26.196 7.464 6.267 1.00 0.00 H new ATOM 0 HA ALA A 69 25.974 6.690 9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.642 9.039 9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.692 8.245 8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.431 9.380 7.677 1.00 0.00 H new ATOM 928 N LEU A 70 23.506 8.250 7.619 1.00 0.00 N ATOM 929 CA LEU A 70 22.138 8.720 7.813 1.00 0.00 C ATOM 930 C LEU A 70 21.323 7.709 8.613 1.00 0.00 C ATOM 931 O LEU A 70 20.779 8.013 9.675 1.00 0.00 O ATOM 932 CB LEU A 70 21.470 8.977 6.462 1.00 0.00 C ATOM 933 CG LEU A 70 19.951 8.806 6.421 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.283 9.726 7.432 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.421 9.076 5.020 1.00 0.00 C ATOM 0 H LEU A 70 23.795 8.184 6.643 1.00 0.00 H new ATOM 0 HA LEU A 70 22.177 9.653 8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.710 9.993 6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.911 8.304 5.727 1.00 0.00 H new ATOM 0 HG LEU A 70 19.713 7.776 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.202 9.591 7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.639 9.485 8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.529 10.762 7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.338 8.950 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.670 10.096 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.875 8.376 4.318 1.00 0.00 H new ATOM 947 N PRO A 71 21.237 6.475 8.093 1.00 0.00 N ATOM 948 CA PRO A 71 20.492 5.393 8.744 1.00 0.00 C ATOM 949 C PRO A 71 21.168 4.913 10.024 1.00 0.00 C ATOM 950 O PRO A 71 20.504 4.646 11.025 1.00 0.00 O ATOM 951 CB PRO A 71 20.490 4.281 7.691 1.00 0.00 C ATOM 952 CG PRO A 71 21.695 4.547 6.857 1.00 0.00 C ATOM 953 CD PRO A 71 21.860 6.042 6.831 1.00 0.00 C ATOM 0 HA PRO A 71 19.495 5.711 9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.539 3.296 8.155 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.580 4.305 7.091 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.576 4.065 7.280 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.567 4.151 5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.910 6.330 6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.367 6.486 5.966 1.00 0.00 H new ATOM 961 N GLY A 72 22.492 4.804 9.984 1.00 0.00 N ATOM 962 CA GLY A 72 23.235 4.357 11.148 1.00 0.00 C ATOM 963 C GLY A 72 23.113 5.313 12.317 1.00 0.00 C ATOM 964 O GLY A 72 23.032 4.889 13.470 1.00 0.00 O ATOM 0 H GLY A 72 23.064 5.017 9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 72 22.875 3.373 11.449 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.286 4.245 10.883 1.00 0.00 H new ATOM 968 N LYS A 73 23.100 6.608 12.021 1.00 0.00 N ATOM 969 CA LYS A 73 22.987 7.629 13.056 1.00 0.00 C ATOM 970 C LYS A 73 21.550 7.740 13.557 1.00 0.00 C ATOM 971 O LYS A 73 21.309 8.122 14.702 1.00 0.00 O ATOM 972 CB LYS A 73 23.457 8.983 12.520 1.00 0.00 C ATOM 973 CG LYS A 73 24.960 9.069 12.317 1.00 0.00 C ATOM 974 CD LYS A 73 25.588 10.100 13.240 1.00 0.00 C ATOM 975 CE LYS A 73 26.859 10.682 12.640 1.00 0.00 C ATOM 976 NZ LYS A 73 27.474 11.705 13.531 1.00 0.00 N ATOM 0 H LYS A 73 23.166 6.976 11.072 1.00 0.00 H new ATOM 0 HA LYS A 73 23.623 7.335 13.891 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.959 9.181 11.571 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.147 9.766 13.212 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.409 8.093 12.500 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.174 9.329 11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.874 10.901 13.432 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.816 9.639 14.201 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.575 9.881 12.458 1.00 0.00 H new ATOM 0 HE3 LYS A 73 26.632 11.131 11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.338 12.078 13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 26.800 12.482 13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.714 11.270 14.445 1.00 0.00 H new ATOM 990 N CYS A 74 20.599 7.402 12.692 1.00 0.00 N ATOM 991 CA CYS A 74 19.186 7.462 13.046 1.00 0.00 C ATOM 992 C CYS A 74 18.756 6.197 13.784 1.00 0.00 C ATOM 993 O CYS A 74 17.585 6.032 14.123 1.00 0.00 O ATOM 994 CB CYS A 74 18.332 7.649 11.791 1.00 0.00 C ATOM 995 SG CYS A 74 18.395 9.331 11.093 1.00 0.00 S ATOM 0 H CYS A 74 20.782 7.084 11.740 1.00 0.00 H new ATOM 0 HA CYS A 74 19.039 8.315 13.708 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.661 6.939 11.032 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.297 7.404 12.029 1.00 0.00 H new ATOM 1000 N GLY A 75 19.713 5.307 14.028 1.00 0.00 N ATOM 1001 CA GLY A 75 19.414 4.069 14.724 1.00 0.00 C ATOM 1002 C GLY A 75 18.619 3.101 13.869 1.00 0.00 C ATOM 1003 O GLY A 75 17.697 2.446 14.354 1.00 0.00 O ATOM 0 H GLY A 75 20.690 5.421 13.756 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.346 3.595 15.033 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.853 4.292 15.632 1.00 0.00 H new ATOM 1007 N VAL A 76 18.977 3.011 12.592 1.00 0.00 N ATOM 1008 CA VAL A 76 18.291 2.117 11.667 1.00 0.00 C ATOM 1009 C VAL A 76 19.261 1.532 10.646 1.00 0.00 C ATOM 1010 O VAL A 76 20.149 2.225 10.152 1.00 0.00 O ATOM 1011 CB VAL A 76 17.155 2.844 10.922 1.00 0.00 C ATOM 1012 CG1 VAL A 76 17.721 3.910 9.996 1.00 0.00 C ATOM 1013 CG2 VAL A 76 16.305 1.849 10.146 1.00 0.00 C ATOM 0 H VAL A 76 19.738 3.546 12.175 1.00 0.00 H new ATOM 0 HA VAL A 76 17.866 1.310 12.264 1.00 0.00 H new ATOM 0 HB VAL A 76 16.518 3.336 11.657 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.904 4.413 9.478 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.283 4.638 10.580 1.00 0.00 H new ATOM 0 HG13 VAL A 76 18.381 3.444 9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.507 2.380 9.626 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.928 1.327 9.419 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.870 1.126 10.836 1.00 0.00 H new ATOM 1023 N ASN A 77 19.083 0.252 10.335 1.00 0.00 N ATOM 1024 CA ASN A 77 19.943 -0.427 9.373 1.00 0.00 C ATOM 1025 C ASN A 77 19.117 -1.066 8.261 1.00 0.00 C ATOM 1026 O ASN A 77 18.034 -1.598 8.506 1.00 0.00 O ATOM 1027 CB ASN A 77 20.786 -1.493 10.074 1.00 0.00 C ATOM 1028 CG ASN A 77 22.118 -1.723 9.385 1.00 0.00 C ATOM 1029 OD1 ASN A 77 22.359 -2.787 8.814 1.00 0.00 O ATOM 1030 ND2 ASN A 77 22.991 -0.723 9.437 1.00 0.00 N ATOM 0 H ASN A 77 18.351 -0.335 10.735 1.00 0.00 H new ATOM 0 HA ASN A 77 20.605 0.316 8.928 1.00 0.00 H new ATOM 0 HB2 ASN A 77 20.962 -1.192 11.107 1.00 0.00 H new ATOM 0 HB3 ASN A 77 20.230 -2.430 10.105 1.00 0.00 H new ATOM 0 HD21 ASN A 77 23.904 -0.819 8.992 1.00 0.00 H new ATOM 0 HD22 ASN A 77 22.748 0.141 9.921 1.00 0.00 H new ATOM 1037 N ILE A 78 19.635 -1.009 7.039 1.00 0.00 N ATOM 1038 CA ILE A 78 18.946 -1.584 5.890 1.00 0.00 C ATOM 1039 C ILE A 78 19.700 -2.792 5.345 1.00 0.00 C ATOM 1040 O ILE A 78 20.916 -2.915 5.494 1.00 0.00 O ATOM 1041 CB ILE A 78 18.773 -0.550 4.762 1.00 0.00 C ATOM 1042 CG1 ILE A 78 20.079 0.214 4.535 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.642 0.412 5.095 1.00 0.00 C ATOM 1044 CD1 ILE A 78 20.210 1.455 5.389 1.00 0.00 C ATOM 0 H ILE A 78 20.529 -0.571 6.819 1.00 0.00 H new ATOM 0 HA ILE A 78 17.962 -1.899 6.237 1.00 0.00 H new ATOM 0 HB ILE A 78 18.518 -1.077 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.919 -0.449 4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 78 20.147 0.497 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 78 17.532 1.137 4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.713 -0.145 5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.870 0.935 6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 78 21.160 1.945 5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 78 19.390 2.138 5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 78 20.174 1.177 6.442 1.00 0.00 H new ATOM 1056 N PRO A 79 18.964 -3.706 4.695 1.00 0.00 N ATOM 1057 CA PRO A 79 19.542 -4.920 4.112 1.00 0.00 C ATOM 1058 C PRO A 79 20.417 -4.620 2.899 1.00 0.00 C ATOM 1059 O PRO A 79 21.249 -5.438 2.505 1.00 0.00 O ATOM 1060 CB PRO A 79 18.314 -5.734 3.697 1.00 0.00 C ATOM 1061 CG PRO A 79 17.242 -4.721 3.488 1.00 0.00 C ATOM 1062 CD PRO A 79 17.509 -3.623 4.480 1.00 0.00 C ATOM 0 HA PRO A 79 20.196 -5.438 4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 79 18.505 -6.302 2.787 1.00 0.00 H new ATOM 0 HB3 PRO A 79 18.036 -6.452 4.468 1.00 0.00 H new ATOM 0 HG2 PRO A 79 17.261 -4.338 2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 79 16.256 -5.158 3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 79 17.215 -2.649 4.090 1.00 0.00 H new ATOM 0 HD3 PRO A 79 16.956 -3.775 5.407 1.00 0.00 H new ATOM 1070 N TYR A 80 20.225 -3.444 2.313 1.00 0.00 N ATOM 1071 CA TYR A 80 20.996 -3.038 1.144 1.00 0.00 C ATOM 1072 C TYR A 80 21.685 -1.698 1.384 1.00 0.00 C ATOM 1073 O TYR A 80 21.611 -1.135 2.477 1.00 0.00 O ATOM 1074 CB TYR A 80 20.088 -2.944 -0.084 1.00 0.00 C ATOM 1075 CG TYR A 80 18.784 -2.227 0.180 1.00 0.00 C ATOM 1076 CD1 TYR A 80 18.751 -0.852 0.377 1.00 0.00 C ATOM 1077 CD2 TYR A 80 17.583 -2.925 0.232 1.00 0.00 C ATOM 1078 CE1 TYR A 80 17.561 -0.194 0.620 1.00 0.00 C ATOM 1079 CE2 TYR A 80 16.388 -2.274 0.472 1.00 0.00 C ATOM 1080 CZ TYR A 80 16.383 -0.909 0.666 1.00 0.00 C ATOM 1081 OH TYR A 80 15.195 -0.256 0.906 1.00 0.00 O ATOM 0 H TYR A 80 19.542 -2.755 2.628 1.00 0.00 H new ATOM 0 HA TYR A 80 21.762 -3.793 0.965 1.00 0.00 H new ATOM 0 HB2 TYR A 80 20.622 -2.427 -0.881 1.00 0.00 H new ATOM 0 HB3 TYR A 80 19.873 -3.950 -0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 80 19.671 -0.288 0.340 1.00 0.00 H new ATOM 0 HD2 TYR A 80 17.584 -3.995 0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 80 17.553 0.875 0.773 1.00 0.00 H new ATOM 0 HE2 TYR A 80 15.463 -2.831 0.507 1.00 0.00 H new ATOM 0 HH TYR A 80 14.464 -0.732 0.459 1.00 0.00 H new ATOM 1091 N LYS A 81 22.354 -1.191 0.355 1.00 0.00 N ATOM 1092 CA LYS A 81 23.055 0.084 0.450 1.00 0.00 C ATOM 1093 C LYS A 81 22.288 1.183 -0.278 1.00 0.00 C ATOM 1094 O LYS A 81 21.287 0.917 -0.944 1.00 0.00 O ATOM 1095 CB LYS A 81 24.465 -0.041 -0.133 1.00 0.00 C ATOM 1096 CG LYS A 81 25.477 0.886 0.517 1.00 0.00 C ATOM 1097 CD LYS A 81 26.861 0.260 0.559 1.00 0.00 C ATOM 1098 CE LYS A 81 27.950 1.319 0.629 1.00 0.00 C ATOM 1099 NZ LYS A 81 28.477 1.483 2.012 1.00 0.00 N ATOM 0 H LYS A 81 22.426 -1.644 -0.556 1.00 0.00 H new ATOM 0 HA LYS A 81 23.126 0.353 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 81 24.805 -1.071 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 81 24.427 0.169 -1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 81 25.518 1.825 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.154 1.125 1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 81 26.937 -0.399 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 81 27.009 -0.358 -0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 81 28.766 1.046 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.554 2.271 0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.217 2.214 2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 27.704 1.769 2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 28.878 0.581 2.340 1.00 0.00 H new ATOM 1113 N ILE A 82 22.765 2.416 -0.148 1.00 0.00 N ATOM 1114 CA ILE A 82 22.125 3.554 -0.796 1.00 0.00 C ATOM 1115 C ILE A 82 23.088 4.260 -1.744 1.00 0.00 C ATOM 1116 O ILE A 82 24.100 4.815 -1.318 1.00 0.00 O ATOM 1117 CB ILE A 82 21.602 4.570 0.237 1.00 0.00 C ATOM 1118 CG1 ILE A 82 20.662 3.883 1.230 1.00 0.00 C ATOM 1119 CG2 ILE A 82 20.894 5.720 -0.462 1.00 0.00 C ATOM 1120 CD1 ILE A 82 21.375 3.286 2.423 1.00 0.00 C ATOM 0 H ILE A 82 23.592 2.653 0.400 1.00 0.00 H new ATOM 0 HA ILE A 82 21.283 3.160 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 82 22.451 4.974 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 82 19.926 4.606 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 82 20.113 3.095 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 82 20.530 6.429 0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 82 21.591 6.223 -1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 82 20.052 5.334 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 82 20.647 2.816 3.084 1.00 0.00 H new ATOM 0 HD12 ILE A 82 22.091 2.539 2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 82 21.901 4.073 2.964 1.00 0.00 H new ATOM 1132 N SER A 83 22.765 4.236 -3.034 1.00 0.00 N ATOM 1133 CA SER A 83 23.602 4.871 -4.044 1.00 0.00 C ATOM 1134 C SER A 83 22.996 4.707 -5.434 1.00 0.00 C ATOM 1135 O SER A 83 22.182 3.813 -5.668 1.00 0.00 O ATOM 1136 CB SER A 83 25.011 4.277 -4.016 1.00 0.00 C ATOM 1137 OG SER A 83 25.630 4.372 -5.288 1.00 0.00 O ATOM 0 H SER A 83 21.929 3.783 -3.403 1.00 0.00 H new ATOM 0 HA SER A 83 23.660 5.935 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.615 4.800 -3.274 1.00 0.00 H new ATOM 0 HB3 SER A 83 24.963 3.232 -3.709 1.00 0.00 H new ATOM 0 HG SER A 83 26.034 3.510 -5.521 1.00 0.00 H new ATOM 1143 N THR A 84 23.398 5.578 -6.355 1.00 0.00 N ATOM 1144 CA THR A 84 22.895 5.532 -7.722 1.00 0.00 C ATOM 1145 C THR A 84 23.470 4.341 -8.480 1.00 0.00 C ATOM 1146 O THR A 84 23.045 4.037 -9.595 1.00 0.00 O ATOM 1147 CB THR A 84 23.232 6.825 -8.488 1.00 0.00 C ATOM 1148 OG1 THR A 84 22.840 6.697 -9.860 1.00 0.00 O ATOM 1149 CG2 THR A 84 24.720 7.130 -8.407 1.00 0.00 C ATOM 0 H THR A 84 24.071 6.324 -6.178 1.00 0.00 H new ATOM 0 HA THR A 84 21.812 5.429 -7.657 1.00 0.00 H new ATOM 0 HB THR A 84 22.684 7.647 -8.028 1.00 0.00 H new ATOM 0 HG1 THR A 84 22.584 5.769 -10.042 1.00 0.00 H new ATOM 0 HG21 THR A 84 24.934 8.047 -8.955 1.00 0.00 H new ATOM 0 HG22 THR A 84 25.010 7.255 -7.364 1.00 0.00 H new ATOM 0 HG23 THR A 84 25.285 6.306 -8.844 1.00 0.00 H new ATOM 1157 N THR A 85 24.438 3.667 -7.867 1.00 0.00 N ATOM 1158 CA THR A 85 25.072 2.508 -8.484 1.00 0.00 C ATOM 1159 C THR A 85 24.702 1.224 -7.751 1.00 0.00 C ATOM 1160 O THR A 85 25.529 0.324 -7.597 1.00 0.00 O ATOM 1161 CB THR A 85 26.605 2.651 -8.505 1.00 0.00 C ATOM 1162 OG1 THR A 85 27.130 2.492 -7.183 1.00 0.00 O ATOM 1163 CG2 THR A 85 27.014 4.008 -9.059 1.00 0.00 C ATOM 0 H THR A 85 24.800 3.904 -6.943 1.00 0.00 H new ATOM 0 HA THR A 85 24.706 2.456 -9.509 1.00 0.00 H new ATOM 0 HB THR A 85 27.012 1.874 -9.152 1.00 0.00 H new ATOM 0 HG1 THR A 85 28.106 2.583 -7.205 1.00 0.00 H new ATOM 0 HG21 THR A 85 28.101 4.086 -9.064 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.638 4.114 -10.076 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.596 4.797 -8.434 1.00 0.00 H new ATOM 1171 N THR A 86 23.454 1.143 -7.300 1.00 0.00 N ATOM 1172 CA THR A 86 22.976 -0.032 -6.582 1.00 0.00 C ATOM 1173 C THR A 86 21.746 -0.626 -7.258 1.00 0.00 C ATOM 1174 O THR A 86 20.898 0.101 -7.775 1.00 0.00 O ATOM 1175 CB THR A 86 22.630 0.306 -5.119 1.00 0.00 C ATOM 1176 OG1 THR A 86 23.819 0.661 -4.405 1.00 0.00 O ATOM 1177 CG2 THR A 86 21.955 -0.874 -4.437 1.00 0.00 C ATOM 0 H THR A 86 22.756 1.877 -7.419 1.00 0.00 H new ATOM 0 HA THR A 86 23.785 -0.763 -6.597 1.00 0.00 H new ATOM 0 HB THR A 86 21.940 1.150 -5.116 1.00 0.00 H new ATOM 0 HG1 THR A 86 23.591 0.876 -3.476 1.00 0.00 H new ATOM 0 HG21 THR A 86 21.720 -0.612 -3.405 1.00 0.00 H new ATOM 0 HG22 THR A 86 21.035 -1.123 -4.967 1.00 0.00 H new ATOM 0 HG23 THR A 86 22.625 -1.734 -4.450 1.00 0.00 H new ATOM 1185 N ASN A 87 21.655 -1.952 -7.251 1.00 0.00 N ATOM 1186 CA ASN A 87 20.527 -2.644 -7.864 1.00 0.00 C ATOM 1187 C ASN A 87 19.673 -3.337 -6.806 1.00 0.00 C ATOM 1188 O ASN A 87 19.995 -4.436 -6.355 1.00 0.00 O ATOM 1189 CB ASN A 87 21.025 -3.669 -8.885 1.00 0.00 C ATOM 1190 CG ASN A 87 19.887 -4.382 -9.590 1.00 0.00 C ATOM 1191 OD1 ASN A 87 18.715 -4.114 -9.329 1.00 0.00 O ATOM 1192 ND2 ASN A 87 20.230 -5.297 -10.490 1.00 0.00 N ATOM 0 H ASN A 87 22.349 -2.569 -6.828 1.00 0.00 H new ATOM 0 HA ASN A 87 19.911 -1.903 -8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 87 21.650 -3.168 -9.624 1.00 0.00 H new ATOM 0 HB3 ASN A 87 21.654 -4.403 -8.382 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.508 -5.810 -10.997 1.00 0.00 H new ATOM 0 HD22 ASN A 87 21.215 -5.487 -10.674 1.00 0.00 H new ATOM 1199 N CYS A 88 18.583 -2.686 -6.414 1.00 0.00 N ATOM 1200 CA CYS A 88 17.682 -3.237 -5.410 1.00 0.00 C ATOM 1201 C CYS A 88 16.903 -4.424 -5.971 1.00 0.00 C ATOM 1202 O CYS A 88 16.297 -5.191 -5.224 1.00 0.00 O ATOM 1203 CB CYS A 88 16.710 -2.162 -4.920 1.00 0.00 C ATOM 1204 SG CYS A 88 17.311 -1.217 -3.483 1.00 0.00 S ATOM 0 H CYS A 88 18.302 -1.775 -6.777 1.00 0.00 H new ATOM 0 HA CYS A 88 18.284 -3.583 -4.570 1.00 0.00 H new ATOM 0 HB2 CYS A 88 16.508 -1.470 -5.738 1.00 0.00 H new ATOM 0 HB3 CYS A 88 15.763 -2.635 -4.660 1.00 0.00 H new ATOM 1209 N ASN A 89 16.925 -4.568 -7.292 1.00 0.00 N ATOM 1210 CA ASN A 89 16.221 -5.660 -7.953 1.00 0.00 C ATOM 1211 C ASN A 89 16.964 -6.980 -7.764 1.00 0.00 C ATOM 1212 O ASN A 89 16.376 -8.057 -7.866 1.00 0.00 O ATOM 1213 CB ASN A 89 16.061 -5.362 -9.445 1.00 0.00 C ATOM 1214 CG ASN A 89 15.621 -3.934 -9.705 1.00 0.00 C ATOM 1215 OD1 ASN A 89 16.375 -2.989 -9.474 1.00 0.00 O ATOM 1216 ND2 ASN A 89 14.395 -3.771 -10.189 1.00 0.00 N ATOM 0 H ASN A 89 17.423 -3.942 -7.925 1.00 0.00 H new ATOM 0 HA ASN A 89 15.234 -5.750 -7.499 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.008 -5.546 -9.953 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.331 -6.048 -9.874 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.044 -2.833 -10.384 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.804 -4.584 -10.365 1.00 0.00 H new ATOM 1223 N THR A 90 18.261 -6.888 -7.488 1.00 0.00 N ATOM 1224 CA THR A 90 19.085 -8.073 -7.285 1.00 0.00 C ATOM 1225 C THR A 90 19.195 -8.419 -5.804 1.00 0.00 C ATOM 1226 O THR A 90 20.094 -9.154 -5.393 1.00 0.00 O ATOM 1227 CB THR A 90 20.500 -7.879 -7.862 1.00 0.00 C ATOM 1228 OG1 THR A 90 20.869 -6.497 -7.801 1.00 0.00 O ATOM 1229 CG2 THR A 90 20.567 -8.364 -9.302 1.00 0.00 C ATOM 0 H THR A 90 18.764 -6.005 -7.400 1.00 0.00 H new ATOM 0 HA THR A 90 18.595 -8.892 -7.811 1.00 0.00 H new ATOM 0 HB THR A 90 21.197 -8.467 -7.264 1.00 0.00 H new ATOM 0 HG1 THR A 90 20.592 -6.122 -6.939 1.00 0.00 H new ATOM 0 HG21 THR A 90 21.575 -8.217 -9.689 1.00 0.00 H new ATOM 0 HG22 THR A 90 20.314 -9.423 -9.341 1.00 0.00 H new ATOM 0 HG23 THR A 90 19.860 -7.799 -9.909 1.00 0.00 H new ATOM 1237 N VAL A 91 18.276 -7.885 -5.006 1.00 0.00 N ATOM 1238 CA VAL A 91 18.270 -8.139 -3.570 1.00 0.00 C ATOM 1239 C VAL A 91 17.633 -9.487 -3.254 1.00 0.00 C ATOM 1240 O VAL A 91 16.467 -9.726 -3.571 1.00 0.00 O ATOM 1241 CB VAL A 91 17.513 -7.034 -2.809 1.00 0.00 C ATOM 1242 CG1 VAL A 91 17.466 -7.348 -1.321 1.00 0.00 C ATOM 1243 CG2 VAL A 91 18.157 -5.679 -3.057 1.00 0.00 C ATOM 0 H VAL A 91 17.526 -7.274 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 91 19.310 -8.147 -3.244 1.00 0.00 H new ATOM 0 HB VAL A 91 16.489 -6.996 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.928 -6.557 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.955 -8.298 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 91 18.482 -7.414 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.609 -4.910 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.191 -5.700 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.133 -5.454 -4.123 1.00 0.00 H new ATOM 1253 N LYS A 92 18.405 -10.367 -2.626 1.00 0.00 N ATOM 1254 CA LYS A 92 17.918 -11.693 -2.264 1.00 0.00 C ATOM 1255 C LYS A 92 17.380 -11.703 -0.836 1.00 0.00 C ATOM 1256 O LYS A 92 18.129 -11.506 0.121 1.00 0.00 O ATOM 1257 CB LYS A 92 19.037 -12.727 -2.406 1.00 0.00 C ATOM 1258 CG LYS A 92 19.246 -13.204 -3.833 1.00 0.00 C ATOM 1259 CD LYS A 92 20.584 -12.742 -4.385 1.00 0.00 C ATOM 1260 CE LYS A 92 21.688 -13.744 -4.081 1.00 0.00 C ATOM 1261 NZ LYS A 92 22.844 -13.593 -5.007 1.00 0.00 N ATOM 0 H LYS A 92 19.372 -10.186 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 92 17.105 -11.952 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 92 19.967 -12.297 -2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 92 18.809 -13.586 -1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 92 19.194 -14.292 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 92 18.441 -12.828 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 92 20.505 -12.602 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 92 20.841 -11.774 -3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.026 -13.611 -3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 92 21.291 -14.756 -4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 23.575 -14.293 -4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 22.527 -13.745 -5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 23.239 -12.635 -4.916 1.00 0.00 H new ATOM 1275 N PHE A 93 16.079 -11.936 -0.700 1.00 0.00 N ATOM 1276 CA PHE A 93 15.442 -11.973 0.611 1.00 0.00 C ATOM 1277 C PHE A 93 15.737 -10.699 1.395 1.00 0.00 C ATOM 1278 O PHE A 93 15.413 -9.597 0.953 1.00 0.00 O ATOM 1279 CB PHE A 93 15.920 -13.194 1.400 1.00 0.00 C ATOM 1280 CG PHE A 93 15.073 -14.416 1.186 1.00 0.00 C ATOM 1281 CD1 PHE A 93 15.311 -15.261 0.114 1.00 0.00 C ATOM 1282 CD2 PHE A 93 14.040 -14.720 2.058 1.00 0.00 C ATOM 1283 CE1 PHE A 93 14.532 -16.385 -0.085 1.00 0.00 C ATOM 1284 CE2 PHE A 93 13.259 -15.843 1.864 1.00 0.00 C ATOM 1285 CZ PHE A 93 13.506 -16.677 0.792 1.00 0.00 C ATOM 0 H PHE A 93 15.445 -12.102 -1.482 1.00 0.00 H new ATOM 0 HA PHE A 93 14.365 -12.045 0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 93 16.948 -13.420 1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 93 15.929 -12.949 2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 93 16.114 -15.039 -0.573 1.00 0.00 H new ATOM 0 HD2 PHE A 93 13.843 -14.072 2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 93 14.725 -17.035 -0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 93 12.456 -16.068 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 93 12.898 -17.556 0.639 1.00 0.00 H new TER 1295 PHE A 93