USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 695 hydrogens (44 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 50 ASN : amide:sc= -1.01 K(o=-0.96,f=-2.5!) USER MOD Set 1.2: A 87 ASN : amide:sc= -0.176 K(o=-0.96,f=-3.2!) USER MOD Set 1.3: A 89 ASN : amide:sc= 0.226 K(o=-0.96,f=-2.9) USER MOD Set 2.1: A 83 SER OG : rot 171:sc= 1.05 USER MOD Set 2.2: A 85 THR OG1 : rot -46:sc= 1.2 USER MOD Set 2.3: A 86 THR OG1 : rot 180:sc=-0.00367 USER MOD Set 3.1: A 17 TYR OH : rot 150:sc= 0.18 USER MOD Set 3.2: A 73 LYS NZ :NH3+ -140:sc= 0.275 (180deg=-0.272) USER MOD Set 4.1: A 63 ASN : amide:sc= -7.5! C(o=-8.9!,f=-16!) USER MOD Set 4.2: A 66 ASN : amide:sc= -1.39 K(o=-8.9,f=-10!) USER MOD Single : A 1 ALA N :NH3+ 170:sc= 0 (180deg=-0.121) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0873 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.045 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 11:sc= 0.969 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0725 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.27) USER MOD Single : A 41 THR OG1 : rot -160:sc= -3.3! USER MOD Single : A 42 THR OG1 : rot 135:sc= 1.94 USER MOD Single : A 46 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.4!) USER MOD Single : A 53 LYS NZ :NH3+ -138:sc= -0.359 (180deg=-2.07!) 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 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.6!) USER MOD Single : A 77 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.013) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0683 USER MOD Single : A 90 THR OG1 : rot -56:sc= 1.04 USER MOD Single : A 92 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.102) USER MOD Single : A 101 PGM O1 : rot 180:sc= 0 USER MOD Single : A 101 PGM O2 : rot 180:sc= 0 USER MOD Single : A 101 PGM O8 : rot -145:sc= 0.298 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.766 -1.467 -0.358 1.00 74.53 N ATOM 2 CA ALA A 1 3.216 -1.556 -0.475 1.00 32.44 C ATOM 3 C ALA A 1 3.629 -2.802 -1.252 1.00 11.40 C ATOM 4 O ALA A 1 4.614 -3.457 -0.913 1.00 65.43 O ATOM 5 CB ALA A 1 3.857 -1.556 0.905 1.00 30.42 C ATOM 0 H1 ALA A 1 1.518 -0.712 0.312 1.00 74.53 H new ATOM 0 H2 ALA A 1 1.355 -1.253 -1.289 1.00 74.53 H new ATOM 0 H3 ALA A 1 1.389 -2.373 -0.014 1.00 74.53 H new ATOM 0 HA ALA A 1 3.566 -0.683 -1.027 1.00 32.44 H new ATOM 0 HB1 ALA A 1 4.940 -1.623 0.803 1.00 30.42 H new ATOM 0 HB2 ALA A 1 3.598 -0.635 1.427 1.00 30.42 H new ATOM 0 HB3 ALA A 1 3.493 -2.411 1.475 1.00 30.42 H new ATOM 11 N ILE A 2 2.869 -3.122 -2.294 1.00 43.21 N ATOM 12 CA ILE A 2 3.158 -4.288 -3.119 1.00 75.40 C ATOM 13 C ILE A 2 4.468 -4.114 -3.879 1.00 21.11 C ATOM 14 O ILE A 2 5.175 -3.122 -3.699 1.00 32.41 O ATOM 15 CB ILE A 2 2.025 -4.559 -4.127 1.00 11.11 C ATOM 16 CG1 ILE A 2 1.994 -3.467 -5.198 1.00 43.21 C ATOM 17 CG2 ILE A 2 0.686 -4.642 -3.409 1.00 70.23 C ATOM 18 CD1 ILE A 2 0.893 -3.652 -6.218 1.00 50.14 C ATOM 0 H ILE A 2 2.049 -2.590 -2.587 1.00 43.21 H new ATOM 0 HA ILE A 2 3.244 -5.139 -2.443 1.00 75.40 H new ATOM 0 HB ILE A 2 2.214 -5.515 -4.615 1.00 11.11 H new ATOM 0 HG12 ILE A 2 1.871 -2.498 -4.714 1.00 43.21 H new ATOM 0 HG13 ILE A 2 2.955 -3.446 -5.712 1.00 43.21 H new ATOM 0 HG21 ILE A 2 -0.105 -4.834 -4.134 1.00 70.23 H new ATOM 0 HG22 ILE A 2 0.714 -5.452 -2.680 1.00 70.23 H new ATOM 0 HG23 ILE A 2 0.488 -3.700 -2.898 1.00 70.23 H new ATOM 0 HD11 ILE A 2 0.931 -2.842 -6.946 1.00 50.14 H new ATOM 0 HD12 ILE A 2 1.027 -4.605 -6.729 1.00 50.14 H new ATOM 0 HD13 ILE A 2 -0.074 -3.642 -5.715 1.00 50.14 H new ATOM 30 N SER A 3 4.786 -5.084 -4.730 1.00 73.14 N ATOM 31 CA SER A 3 6.013 -5.039 -5.517 1.00 74.31 C ATOM 32 C SER A 3 5.703 -4.815 -6.994 1.00 70.51 C ATOM 33 O SER A 3 5.193 -5.705 -7.676 1.00 23.54 O ATOM 34 CB SER A 3 6.804 -6.337 -5.341 1.00 50.21 C ATOM 35 OG SER A 3 6.626 -6.870 -4.041 1.00 31.45 O ATOM 0 H SER A 3 4.211 -5.911 -4.892 1.00 73.14 H new ATOM 0 HA SER A 3 6.615 -4.204 -5.159 1.00 74.31 H new ATOM 0 HB2 SER A 3 6.482 -7.067 -6.084 1.00 50.21 H new ATOM 0 HB3 SER A 3 7.863 -6.148 -5.518 1.00 50.21 H new ATOM 0 HG SER A 3 7.140 -7.700 -3.954 1.00 31.45 H new ATOM 41 N CYS A 4 6.015 -3.620 -7.483 1.00 13.32 N ATOM 42 CA CYS A 4 5.770 -3.276 -8.878 1.00 63.14 C ATOM 43 C CYS A 4 6.362 -4.330 -9.810 1.00 31.22 C ATOM 44 O CYS A 4 5.854 -4.560 -10.907 1.00 5.42 O ATOM 45 CB CYS A 4 6.366 -1.904 -9.199 1.00 42.13 C ATOM 46 SG CYS A 4 5.823 -1.212 -10.794 1.00 55.23 S ATOM 0 H CYS A 4 6.439 -2.873 -6.933 1.00 13.32 H new ATOM 0 HA CYS A 4 4.692 -3.242 -9.034 1.00 63.14 H new ATOM 0 HB2 CYS A 4 6.099 -1.208 -8.403 1.00 42.13 H new ATOM 0 HB3 CYS A 4 7.453 -1.983 -9.201 1.00 42.13 H new ATOM 51 N GLY A 5 7.439 -4.969 -9.363 1.00 62.03 N ATOM 52 CA GLY A 5 8.082 -5.991 -10.168 1.00 63.13 C ATOM 53 C GLY A 5 7.217 -7.224 -10.340 1.00 11.32 C ATOM 54 O GLY A 5 7.298 -7.910 -11.358 1.00 21.53 O ATOM 0 H GLY A 5 7.877 -4.797 -8.458 1.00 62.03 H new ATOM 0 HA2 GLY A 5 8.321 -5.579 -11.149 1.00 63.13 H new ATOM 0 HA3 GLY A 5 9.026 -6.275 -9.703 1.00 63.13 H new ATOM 58 N ALA A 6 6.387 -7.506 -9.341 1.00 0.11 N ATOM 59 CA ALA A 6 5.503 -8.664 -9.386 1.00 50.11 C ATOM 60 C ALA A 6 4.207 -8.337 -10.120 1.00 50.11 C ATOM 61 O ALA A 6 3.454 -9.233 -10.501 1.00 63.43 O ATOM 62 CB ALA A 6 5.204 -9.155 -7.977 1.00 65.34 C ATOM 0 H ALA A 6 6.308 -6.948 -8.491 1.00 0.11 H new ATOM 0 HA ALA A 6 6.011 -9.457 -9.935 1.00 50.11 H new ATOM 0 HB1 ALA A 6 4.543 -10.020 -8.026 1.00 65.34 H new ATOM 0 HB2 ALA A 6 6.135 -9.437 -7.485 1.00 65.34 H new ATOM 0 HB3 ALA A 6 4.720 -8.360 -7.410 1.00 65.34 H new ATOM 68 N VAL A 7 3.952 -7.047 -10.315 1.00 13.14 N ATOM 69 CA VAL A 7 2.746 -6.601 -11.003 1.00 64.54 C ATOM 70 C VAL A 7 2.821 -6.908 -12.495 1.00 52.10 C ATOM 71 O VAL A 7 1.899 -7.490 -13.068 1.00 40.20 O ATOM 72 CB VAL A 7 2.516 -5.091 -10.812 1.00 2.43 C ATOM 73 CG1 VAL A 7 1.219 -4.659 -11.479 1.00 30.15 C ATOM 74 CG2 VAL A 7 2.508 -4.737 -9.332 1.00 42.23 C ATOM 0 H VAL A 7 4.565 -6.292 -10.006 1.00 13.14 H new ATOM 0 HA VAL A 7 1.911 -7.146 -10.563 1.00 64.54 H new ATOM 0 HB VAL A 7 3.337 -4.553 -11.287 1.00 2.43 H new ATOM 0 HG11 VAL A 7 1.074 -3.589 -11.333 1.00 30.15 H new ATOM 0 HG12 VAL A 7 1.269 -4.876 -12.546 1.00 30.15 H new ATOM 0 HG13 VAL A 7 0.384 -5.202 -11.037 1.00 30.15 H new ATOM 0 HG21 VAL A 7 2.344 -3.666 -9.215 1.00 42.23 H new ATOM 0 HG22 VAL A 7 1.708 -5.283 -8.832 1.00 42.23 H new ATOM 0 HG23 VAL A 7 3.466 -5.008 -8.888 1.00 42.23 H new ATOM 84 N THR A 8 3.925 -6.513 -13.120 1.00 44.45 N ATOM 85 CA THR A 8 4.121 -6.744 -14.546 1.00 71.00 C ATOM 86 C THR A 8 4.466 -8.203 -14.824 1.00 53.41 C ATOM 87 O THR A 8 3.922 -8.815 -15.743 1.00 52.31 O ATOM 88 CB THR A 8 5.238 -5.847 -15.113 1.00 32.33 C ATOM 89 OG1 THR A 8 6.492 -6.190 -14.513 1.00 45.35 O ATOM 90 CG2 THR A 8 4.933 -4.379 -14.860 1.00 3.53 C ATOM 0 H THR A 8 4.698 -6.031 -12.661 1.00 44.45 H new ATOM 0 HA THR A 8 3.181 -6.495 -15.038 1.00 71.00 H new ATOM 0 HB THR A 8 5.294 -6.009 -16.189 1.00 32.33 H new ATOM 0 HG1 THR A 8 7.198 -5.617 -14.879 1.00 45.35 H new ATOM 0 HG21 THR A 8 5.735 -3.765 -15.269 1.00 3.53 H new ATOM 0 HG22 THR A 8 3.992 -4.115 -15.342 1.00 3.53 H new ATOM 0 HG23 THR A 8 4.853 -4.204 -13.787 1.00 3.53 H new ATOM 98 N SER A 9 5.372 -8.755 -14.024 1.00 3.51 N ATOM 99 CA SER A 9 5.792 -10.142 -14.186 1.00 50.42 C ATOM 100 C SER A 9 4.585 -11.075 -14.214 1.00 41.53 C ATOM 101 O SER A 9 4.537 -12.021 -15.000 1.00 35.11 O ATOM 102 CB SER A 9 6.738 -10.546 -13.054 1.00 35.43 C ATOM 103 OG SER A 9 7.636 -11.558 -13.476 1.00 54.21 O ATOM 0 H SER A 9 5.830 -8.263 -13.257 1.00 3.51 H new ATOM 0 HA SER A 9 6.318 -10.228 -15.137 1.00 50.42 H new ATOM 0 HB2 SER A 9 7.300 -9.675 -12.717 1.00 35.43 H new ATOM 0 HB3 SER A 9 6.159 -10.902 -12.202 1.00 35.43 H new ATOM 0 HG SER A 9 8.231 -11.797 -12.735 1.00 54.21 H new ATOM 109 N ASP A 10 3.613 -10.800 -13.351 1.00 61.04 N ATOM 110 CA ASP A 10 2.405 -11.613 -13.277 1.00 31.24 C ATOM 111 C ASP A 10 1.716 -11.688 -14.635 1.00 75.34 C ATOM 112 O ASP A 10 1.028 -12.664 -14.942 1.00 3.42 O ATOM 113 CB ASP A 10 1.443 -11.041 -12.234 1.00 22.11 C ATOM 114 CG ASP A 10 1.803 -11.461 -10.822 1.00 72.54 C ATOM 115 OD1 ASP A 10 1.205 -10.917 -9.870 1.00 44.23 O ATOM 116 OD2 ASP A 10 2.681 -12.336 -10.670 1.00 11.12 O ATOM 0 H ASP A 10 3.638 -10.021 -12.693 1.00 61.04 H new ATOM 0 HA ASP A 10 2.693 -12.621 -12.980 1.00 31.24 H new ATOM 0 HB2 ASP A 10 1.447 -9.953 -12.298 1.00 22.11 H new ATOM 0 HB3 ASP A 10 0.429 -11.370 -12.460 1.00 22.11 H new ATOM 121 N LEU A 11 1.903 -10.653 -15.446 1.00 14.41 N ATOM 122 CA LEU A 11 1.298 -10.600 -16.773 1.00 30.25 C ATOM 123 C LEU A 11 2.273 -11.095 -17.836 1.00 25.35 C ATOM 124 O LEU A 11 2.103 -10.823 -19.024 1.00 33.42 O ATOM 125 CB LEU A 11 0.854 -9.173 -17.096 1.00 44.54 C ATOM 126 CG LEU A 11 -0.410 -8.685 -16.388 1.00 20.43 C ATOM 127 CD1 LEU A 11 -0.825 -7.321 -16.915 1.00 10.45 C ATOM 128 CD2 LEU A 11 -1.539 -9.691 -16.560 1.00 22.45 C ATOM 0 H LEU A 11 2.469 -9.838 -15.208 1.00 14.41 H new ATOM 0 HA LEU A 11 0.426 -11.254 -16.774 1.00 30.25 H new ATOM 0 HB2 LEU A 11 1.670 -8.495 -16.847 1.00 44.54 H new ATOM 0 HB3 LEU A 11 0.695 -9.098 -18.172 1.00 44.54 H new ATOM 0 HG LEU A 11 -0.193 -8.589 -15.324 1.00 20.43 H new ATOM 0 HD11 LEU A 11 -1.726 -6.990 -16.399 1.00 10.45 H new ATOM 0 HD12 LEU A 11 -0.023 -6.604 -16.740 1.00 10.45 H new ATOM 0 HD13 LEU A 11 -1.024 -7.389 -17.985 1.00 10.45 H new ATOM 0 HD21 LEU A 11 -2.431 -9.328 -16.050 1.00 22.45 H new ATOM 0 HD22 LEU A 11 -1.754 -9.818 -17.621 1.00 22.45 H new ATOM 0 HD23 LEU A 11 -1.241 -10.649 -16.133 1.00 22.45 H new ATOM 140 N SER A 12 3.295 -11.825 -17.400 1.00 23.13 N ATOM 141 CA SER A 12 4.299 -12.357 -18.314 1.00 23.25 C ATOM 142 C SER A 12 3.647 -13.192 -19.411 1.00 73.12 C ATOM 143 O SER A 12 3.769 -12.903 -20.602 1.00 20.42 O ATOM 144 CB SER A 12 5.317 -13.206 -17.549 1.00 1.33 C ATOM 145 OG SER A 12 5.736 -14.318 -18.320 1.00 43.13 O ATOM 0 H SER A 12 3.449 -12.061 -16.420 1.00 23.13 H new ATOM 0 HA SER A 12 4.813 -11.516 -18.779 1.00 23.25 H new ATOM 0 HB2 SER A 12 6.181 -12.595 -17.287 1.00 1.33 H new ATOM 0 HB3 SER A 12 4.877 -13.553 -16.614 1.00 1.33 H new ATOM 0 HG SER A 12 6.387 -14.843 -17.810 1.00 43.13 H new ATOM 151 N PRO A 13 2.936 -14.254 -19.002 1.00 51.44 N ATOM 152 CA PRO A 13 2.249 -15.153 -19.934 1.00 50.33 C ATOM 153 C PRO A 13 1.053 -14.487 -20.607 1.00 31.35 C ATOM 154 O PRO A 13 0.508 -15.006 -21.582 1.00 0.44 O ATOM 155 CB PRO A 13 1.787 -16.305 -19.039 1.00 74.34 C ATOM 156 CG PRO A 13 1.674 -15.707 -17.680 1.00 23.45 C ATOM 157 CD PRO A 13 2.748 -14.657 -17.599 1.00 33.41 C ATOM 0 HA PRO A 13 2.897 -15.465 -20.753 1.00 50.33 H new ATOM 0 HB2 PRO A 13 0.832 -16.708 -19.375 1.00 74.34 H new ATOM 0 HB3 PRO A 13 2.502 -17.127 -19.051 1.00 74.34 H new ATOM 0 HG2 PRO A 13 0.688 -15.269 -17.527 1.00 23.45 H new ATOM 0 HG3 PRO A 13 1.810 -16.464 -16.908 1.00 23.45 H new ATOM 0 HD2 PRO A 13 2.442 -13.816 -16.977 1.00 33.41 H new ATOM 0 HD3 PRO A 13 3.667 -15.054 -17.168 1.00 33.41 H new ATOM 165 N CYS A 14 0.649 -13.336 -20.080 1.00 31.21 N ATOM 166 CA CYS A 14 -0.483 -12.599 -20.629 1.00 21.15 C ATOM 167 C CYS A 14 -0.023 -11.617 -21.702 1.00 53.31 C ATOM 168 O CYS A 14 -0.784 -11.266 -22.605 1.00 51.11 O ATOM 169 CB CYS A 14 -1.217 -11.849 -19.516 1.00 14.32 C ATOM 170 SG CYS A 14 -1.925 -12.930 -18.232 1.00 14.32 S ATOM 0 H CYS A 14 1.089 -12.893 -19.273 1.00 31.21 H new ATOM 0 HA CYS A 14 -1.165 -13.316 -21.086 1.00 21.15 H new ATOM 0 HB2 CYS A 14 -0.525 -11.150 -19.046 1.00 14.32 H new ATOM 0 HB3 CYS A 14 -2.018 -11.256 -19.959 1.00 14.32 H new ATOM 175 N LEU A 15 1.226 -11.177 -21.597 1.00 53.54 N ATOM 176 CA LEU A 15 1.788 -10.235 -22.559 1.00 41.30 C ATOM 177 C LEU A 15 1.497 -10.677 -23.989 1.00 74.53 C ATOM 178 O LEU A 15 1.075 -9.877 -24.825 1.00 63.44 O ATOM 179 CB LEU A 15 3.298 -10.104 -22.351 1.00 51.33 C ATOM 180 CG LEU A 15 3.928 -8.791 -22.818 1.00 64.32 C ATOM 181 CD1 LEU A 15 3.223 -7.604 -22.181 1.00 41.03 C ATOM 182 CD2 LEU A 15 5.415 -8.768 -22.493 1.00 72.30 C ATOM 0 H LEU A 15 1.869 -11.457 -20.856 1.00 53.54 H new ATOM 0 HA LEU A 15 1.319 -9.265 -22.396 1.00 41.30 H new ATOM 0 HB2 LEU A 15 3.511 -10.228 -21.289 1.00 51.33 H new ATOM 0 HB3 LEU A 15 3.789 -10.925 -22.873 1.00 51.33 H new ATOM 0 HG LEU A 15 3.811 -8.719 -23.899 1.00 64.32 H new ATOM 0 HD11 LEU A 15 3.685 -6.679 -22.525 1.00 41.03 H new ATOM 0 HD12 LEU A 15 2.170 -7.611 -22.464 1.00 41.03 H new ATOM 0 HD13 LEU A 15 3.307 -7.670 -21.096 1.00 41.03 H new ATOM 0 HD21 LEU A 15 5.847 -7.827 -22.832 1.00 72.30 H new ATOM 0 HD22 LEU A 15 5.554 -8.864 -21.416 1.00 72.30 H new ATOM 0 HD23 LEU A 15 5.911 -9.597 -22.998 1.00 72.30 H new ATOM 194 N THR A 16 1.722 -11.959 -24.264 1.00 54.43 N ATOM 195 CA THR A 16 1.482 -12.509 -25.593 1.00 4.45 C ATOM 196 C THR A 16 0.090 -12.145 -26.095 1.00 71.54 C ATOM 197 O THR A 16 -0.056 -11.479 -27.120 1.00 53.50 O ATOM 198 CB THR A 16 1.636 -14.041 -25.602 1.00 34.32 C ATOM 199 OG1 THR A 16 2.972 -14.402 -25.235 1.00 32.33 O ATOM 200 CG2 THR A 16 1.311 -14.609 -26.975 1.00 75.31 C ATOM 0 H THR A 16 2.070 -12.635 -23.584 1.00 54.43 H new ATOM 0 HA THR A 16 2.229 -12.073 -26.256 1.00 4.45 H new ATOM 0 HB THR A 16 0.936 -14.458 -24.878 1.00 34.32 H new ATOM 0 HG1 THR A 16 3.061 -15.378 -25.242 1.00 32.33 H new ATOM 0 HG21 THR A 16 1.427 -15.693 -26.957 1.00 75.31 H new ATOM 0 HG22 THR A 16 0.284 -14.358 -27.239 1.00 75.31 H new ATOM 0 HG23 THR A 16 1.990 -14.184 -27.715 1.00 75.31 H new ATOM 208 N TYR A 17 -0.930 -12.587 -25.369 1.00 33.45 N ATOM 209 CA TYR A 17 -2.312 -12.310 -25.742 1.00 40.14 C ATOM 210 C TYR A 17 -2.594 -10.811 -25.713 1.00 1.22 C ATOM 211 O TYR A 17 -3.398 -10.302 -26.495 1.00 62.55 O ATOM 212 CB TYR A 17 -3.273 -13.040 -24.802 1.00 51.54 C ATOM 213 CG TYR A 17 -4.726 -12.688 -25.030 1.00 20.22 C ATOM 214 CD1 TYR A 17 -5.491 -12.122 -24.017 1.00 44.53 C ATOM 215 CD2 TYR A 17 -5.334 -12.924 -26.256 1.00 55.54 C ATOM 216 CE1 TYR A 17 -6.819 -11.799 -24.220 1.00 64.41 C ATOM 217 CE2 TYR A 17 -6.661 -12.603 -26.469 1.00 34.33 C ATOM 218 CZ TYR A 17 -7.399 -12.042 -25.448 1.00 13.35 C ATOM 219 OH TYR A 17 -8.722 -11.723 -25.655 1.00 3.44 O ATOM 0 H TYR A 17 -0.826 -13.139 -24.518 1.00 33.45 H new ATOM 0 HA TYR A 17 -2.466 -12.671 -26.759 1.00 40.14 H new ATOM 0 HB2 TYR A 17 -3.144 -14.115 -24.927 1.00 51.54 H new ATOM 0 HB3 TYR A 17 -3.008 -12.805 -23.771 1.00 51.54 H new ATOM 0 HD1 TYR A 17 -5.040 -11.931 -23.055 1.00 44.53 H new ATOM 0 HD2 TYR A 17 -4.760 -13.366 -27.057 1.00 55.54 H new ATOM 0 HE1 TYR A 17 -7.399 -11.359 -23.422 1.00 64.41 H new ATOM 0 HE2 TYR A 17 -7.118 -12.790 -27.430 1.00 34.33 H new ATOM 0 HH TYR A 17 -8.860 -11.493 -26.598 1.00 3.44 H new ATOM 229 N LEU A 18 -1.926 -10.108 -24.805 1.00 11.03 N ATOM 230 CA LEU A 18 -2.103 -8.666 -24.672 1.00 3.02 C ATOM 231 C LEU A 18 -1.327 -7.920 -25.753 1.00 73.42 C ATOM 232 O LEU A 18 -1.382 -6.693 -25.838 1.00 73.13 O ATOM 233 CB LEU A 18 -1.645 -8.202 -23.288 1.00 43.30 C ATOM 234 CG LEU A 18 -2.537 -8.607 -22.115 1.00 33.24 C ATOM 235 CD1 LEU A 18 -1.994 -8.043 -20.811 1.00 31.11 C ATOM 236 CD2 LEU A 18 -3.967 -8.140 -22.346 1.00 1.35 C ATOM 0 H LEU A 18 -1.257 -10.513 -24.150 1.00 11.03 H new ATOM 0 HA LEU A 18 -3.163 -8.442 -24.792 1.00 3.02 H new ATOM 0 HB2 LEU A 18 -0.644 -8.593 -23.109 1.00 43.30 H new ATOM 0 HB3 LEU A 18 -1.565 -7.115 -23.299 1.00 43.30 H new ATOM 0 HG LEU A 18 -2.538 -9.695 -22.044 1.00 33.24 H new ATOM 0 HD11 LEU A 18 -2.642 -8.342 -19.987 1.00 31.11 H new ATOM 0 HD12 LEU A 18 -0.989 -8.427 -20.639 1.00 31.11 H new ATOM 0 HD13 LEU A 18 -1.961 -6.955 -20.871 1.00 31.11 H new ATOM 0 HD21 LEU A 18 -4.588 -8.437 -21.501 1.00 1.35 H new ATOM 0 HD22 LEU A 18 -3.984 -7.055 -22.445 1.00 1.35 H new ATOM 0 HD23 LEU A 18 -4.355 -8.593 -23.258 1.00 1.35 H new ATOM 248 N THR A 19 -0.606 -8.670 -26.581 1.00 22.44 N ATOM 249 CA THR A 19 0.180 -8.081 -27.658 1.00 32.44 C ATOM 250 C THR A 19 -0.275 -8.600 -29.017 1.00 25.51 C ATOM 251 O THR A 19 0.538 -8.803 -29.918 1.00 51.43 O ATOM 252 CB THR A 19 1.682 -8.377 -27.484 1.00 14.32 C ATOM 253 OG1 THR A 19 1.891 -9.787 -27.348 1.00 1.30 O ATOM 254 CG2 THR A 19 2.237 -7.657 -26.264 1.00 41.44 C ATOM 0 H THR A 19 -0.550 -9.687 -26.526 1.00 22.44 H new ATOM 0 HA THR A 19 0.022 -7.003 -27.612 1.00 32.44 H new ATOM 0 HB THR A 19 2.206 -8.016 -28.369 1.00 14.32 H new ATOM 0 HG1 THR A 19 1.061 -10.263 -27.562 1.00 1.30 H new ATOM 0 HG21 THR A 19 3.299 -7.881 -26.161 1.00 41.44 H new ATOM 0 HG22 THR A 19 2.103 -6.582 -26.384 1.00 41.44 H new ATOM 0 HG23 THR A 19 1.708 -7.992 -25.372 1.00 41.44 H new ATOM 262 N GLY A 20 -1.579 -8.814 -29.158 1.00 34.10 N ATOM 263 CA GLY A 20 -2.119 -9.307 -30.412 1.00 31.45 C ATOM 264 C GLY A 20 -2.009 -10.814 -30.537 1.00 40.02 C ATOM 265 O GLY A 20 -2.531 -11.405 -31.481 1.00 52.04 O ATOM 0 H GLY A 20 -2.272 -8.655 -28.426 1.00 34.10 H new ATOM 0 HA2 GLY A 20 -3.166 -9.014 -30.494 1.00 31.45 H new ATOM 0 HA3 GLY A 20 -1.591 -8.837 -31.242 1.00 31.45 H new ATOM 269 N GLY A 21 -1.325 -11.438 -29.582 1.00 53.24 N ATOM 270 CA GLY A 21 -1.159 -12.879 -29.610 1.00 71.21 C ATOM 271 C GLY A 21 -2.421 -13.616 -29.206 1.00 64.22 C ATOM 272 O GLY A 21 -3.422 -13.012 -28.821 1.00 41.14 O ATOM 0 H GLY A 21 -0.883 -10.971 -28.790 1.00 53.24 H new ATOM 0 HA2 GLY A 21 -0.867 -13.189 -30.613 1.00 71.21 H new ATOM 0 HA3 GLY A 21 -0.347 -13.161 -28.940 1.00 71.21 H new ATOM 276 N PRO A 22 -2.383 -14.954 -29.294 1.00 23.14 N ATOM 277 CA PRO A 22 -3.524 -15.803 -28.940 1.00 20.25 C ATOM 278 C PRO A 22 -3.797 -15.811 -27.439 1.00 73.14 C ATOM 279 O PRO A 22 -2.888 -15.625 -26.632 1.00 20.11 O ATOM 280 CB PRO A 22 -3.092 -17.194 -29.412 1.00 4.44 C ATOM 281 CG PRO A 22 -1.602 -17.153 -29.395 1.00 35.33 C ATOM 282 CD PRO A 22 -1.222 -15.741 -29.744 1.00 55.02 C ATOM 0 HA PRO A 22 -4.450 -15.452 -29.396 1.00 20.25 H new ATOM 0 HB2 PRO A 22 -3.474 -17.973 -28.752 1.00 4.44 H new ATOM 0 HB3 PRO A 22 -3.471 -17.409 -30.411 1.00 4.44 H new ATOM 0 HG2 PRO A 22 -1.215 -17.430 -28.414 1.00 35.33 H new ATOM 0 HG3 PRO A 22 -1.184 -17.858 -30.113 1.00 35.33 H new ATOM 0 HD2 PRO A 22 -0.307 -15.434 -29.237 1.00 55.02 H new ATOM 0 HD3 PRO A 22 -1.048 -15.624 -30.814 1.00 55.02 H new ATOM 290 N GLY A 23 -5.057 -16.028 -27.073 1.00 21.21 N ATOM 291 CA GLY A 23 -5.427 -16.057 -25.670 1.00 1.51 C ATOM 292 C GLY A 23 -6.843 -15.570 -25.434 1.00 32.51 C ATOM 293 O GLY A 23 -7.642 -15.446 -26.362 1.00 54.01 O ATOM 0 H GLY A 23 -5.828 -16.184 -27.723 1.00 21.21 H new ATOM 0 HA2 GLY A 23 -5.328 -17.075 -25.292 1.00 1.51 H new ATOM 0 HA3 GLY A 23 -4.733 -15.437 -25.102 1.00 1.51 H new ATOM 297 N PRO A 24 -7.172 -15.288 -24.165 1.00 12.04 N ATOM 298 CA PRO A 24 -6.229 -15.433 -23.051 1.00 54.15 C ATOM 299 C PRO A 24 -5.912 -16.893 -22.747 1.00 44.03 C ATOM 300 O PRO A 24 -6.807 -17.684 -22.451 1.00 22.14 O ATOM 301 CB PRO A 24 -6.968 -14.790 -21.875 1.00 32.10 C ATOM 302 CG PRO A 24 -8.412 -14.915 -22.221 1.00 1.24 C ATOM 303 CD PRO A 24 -8.490 -14.806 -23.718 1.00 50.14 C ATOM 0 HA PRO A 24 -5.266 -14.973 -23.270 1.00 54.15 H new ATOM 0 HB2 PRO A 24 -6.740 -15.299 -20.938 1.00 32.10 H new ATOM 0 HB3 PRO A 24 -6.680 -13.746 -21.749 1.00 32.10 H new ATOM 0 HG2 PRO A 24 -8.814 -15.868 -21.878 1.00 1.24 H new ATOM 0 HG3 PRO A 24 -8.997 -14.130 -21.742 1.00 1.24 H new ATOM 0 HD2 PRO A 24 -9.299 -15.414 -24.123 1.00 50.14 H new ATOM 0 HD3 PRO A 24 -8.672 -13.780 -24.037 1.00 50.14 H new ATOM 311 N SER A 25 -4.632 -17.243 -22.823 1.00 23.44 N ATOM 312 CA SER A 25 -4.196 -18.610 -22.558 1.00 54.24 C ATOM 313 C SER A 25 -4.536 -19.021 -21.129 1.00 23.20 C ATOM 314 O SER A 25 -4.838 -18.191 -20.272 1.00 10.31 O ATOM 315 CB SER A 25 -2.691 -18.743 -22.796 1.00 1.13 C ATOM 316 OG SER A 25 -2.028 -17.511 -22.568 1.00 21.43 O ATOM 0 H SER A 25 -3.879 -16.600 -23.066 1.00 23.44 H new ATOM 0 HA SER A 25 -4.724 -19.273 -23.243 1.00 54.24 H new ATOM 0 HB2 SER A 25 -2.281 -19.508 -22.136 1.00 1.13 H new ATOM 0 HB3 SER A 25 -2.509 -19.074 -23.819 1.00 1.13 H new ATOM 0 HG SER A 25 -1.067 -17.623 -22.725 1.00 21.43 H new ATOM 322 N PRO A 26 -4.485 -20.335 -20.865 1.00 30.24 N ATOM 323 CA PRO A 26 -4.783 -20.888 -19.540 1.00 72.31 C ATOM 324 C PRO A 26 -3.712 -20.540 -18.512 1.00 60.41 C ATOM 325 O PRO A 26 -4.001 -20.404 -17.324 1.00 13.22 O ATOM 326 CB PRO A 26 -4.818 -22.399 -19.786 1.00 41.30 C ATOM 327 CG PRO A 26 -3.957 -22.607 -20.984 1.00 32.40 C ATOM 328 CD PRO A 26 -4.132 -21.382 -21.838 1.00 72.21 C ATOM 0 HA PRO A 26 -5.710 -20.487 -19.130 1.00 72.31 H new ATOM 0 HB2 PRO A 26 -4.438 -22.949 -18.925 1.00 41.30 H new ATOM 0 HB3 PRO A 26 -5.835 -22.748 -19.964 1.00 41.30 H new ATOM 0 HG2 PRO A 26 -2.914 -22.737 -20.697 1.00 32.40 H new ATOM 0 HG3 PRO A 26 -4.252 -23.506 -21.526 1.00 32.40 H new ATOM 0 HD2 PRO A 26 -3.219 -21.136 -22.379 1.00 72.21 H new ATOM 0 HD3 PRO A 26 -4.916 -21.520 -22.582 1.00 72.21 H new ATOM 336 N GLN A 27 -2.475 -20.398 -18.978 1.00 33.31 N ATOM 337 CA GLN A 27 -1.361 -20.066 -18.097 1.00 74.54 C ATOM 338 C GLN A 27 -1.385 -18.588 -17.724 1.00 23.03 C ATOM 339 O GLN A 27 -0.909 -18.199 -16.657 1.00 10.04 O ATOM 340 CB GLN A 27 -0.032 -20.414 -18.769 1.00 62.02 C ATOM 341 CG GLN A 27 0.066 -21.866 -19.210 1.00 1.41 C ATOM 342 CD GLN A 27 1.347 -22.161 -19.964 1.00 63.42 C ATOM 343 OE1 GLN A 27 2.379 -22.465 -19.364 1.00 52.11 O ATOM 344 NE2 GLN A 27 1.289 -22.075 -21.288 1.00 53.50 N ATOM 0 H GLN A 27 -2.219 -20.508 -19.959 1.00 33.31 H new ATOM 0 HA GLN A 27 -1.463 -20.653 -17.185 1.00 74.54 H new ATOM 0 HB2 GLN A 27 0.106 -19.769 -19.637 1.00 62.02 H new ATOM 0 HB3 GLN A 27 0.783 -20.197 -18.078 1.00 62.02 H new ATOM 0 HG2 GLN A 27 0.007 -22.513 -18.334 1.00 1.41 H new ATOM 0 HG3 GLN A 27 -0.788 -22.108 -19.843 1.00 1.41 H new ATOM 0 HE21 GLN A 27 0.413 -21.820 -21.745 1.00 53.50 H new ATOM 0 HE22 GLN A 27 2.120 -22.264 -21.848 1.00 53.50 H new ATOM 353 N CYS A 28 -1.940 -17.768 -18.609 1.00 55.31 N ATOM 354 CA CYS A 28 -2.025 -16.332 -18.374 1.00 15.54 C ATOM 355 C CYS A 28 -3.064 -16.017 -17.301 1.00 0.24 C ATOM 356 O CYS A 28 -2.783 -15.299 -16.340 1.00 41.04 O ATOM 357 CB CYS A 28 -2.379 -15.601 -19.671 1.00 4.14 C ATOM 358 SG CYS A 28 -3.264 -14.029 -19.421 1.00 15.22 S ATOM 0 H CYS A 28 -2.338 -18.074 -19.497 1.00 55.31 H new ATOM 0 HA CYS A 28 -1.051 -15.988 -18.025 1.00 15.54 H new ATOM 0 HB2 CYS A 28 -1.462 -15.405 -20.227 1.00 4.14 H new ATOM 0 HB3 CYS A 28 -2.992 -16.257 -20.289 1.00 4.14 H new ATOM 363 N CYS A 29 -4.265 -16.559 -17.471 1.00 31.14 N ATOM 364 CA CYS A 29 -5.347 -16.337 -16.518 1.00 65.24 C ATOM 365 C CYS A 29 -4.887 -16.634 -15.094 1.00 5.10 C ATOM 366 O CYS A 29 -5.308 -15.975 -14.144 1.00 60.13 O ATOM 367 CB CYS A 29 -6.551 -17.213 -16.870 1.00 11.52 C ATOM 368 SG CYS A 29 -7.592 -16.543 -18.207 1.00 23.40 S ATOM 0 H CYS A 29 -4.514 -17.155 -18.260 1.00 31.14 H new ATOM 0 HA CYS A 29 -5.639 -15.288 -16.575 1.00 65.24 H new ATOM 0 HB2 CYS A 29 -6.195 -18.201 -17.162 1.00 11.52 H new ATOM 0 HB3 CYS A 29 -7.164 -17.345 -15.978 1.00 11.52 H new ATOM 373 N GLY A 30 -4.018 -17.631 -14.954 1.00 31.11 N ATOM 374 CA GLY A 30 -3.515 -17.998 -13.643 1.00 41.21 C ATOM 375 C GLY A 30 -2.859 -16.834 -12.927 1.00 51.32 C ATOM 376 O GLY A 30 -3.049 -16.648 -11.726 1.00 24.31 O ATOM 0 H GLY A 30 -3.654 -18.191 -15.725 1.00 31.11 H new ATOM 0 HA2 GLY A 30 -4.336 -18.378 -13.035 1.00 41.21 H new ATOM 0 HA3 GLY A 30 -2.794 -18.809 -13.748 1.00 41.21 H new ATOM 380 N GLY A 31 -2.083 -16.047 -13.667 1.00 32.01 N ATOM 381 CA GLY A 31 -1.407 -14.906 -13.078 1.00 13.11 C ATOM 382 C GLY A 31 -2.349 -13.748 -12.813 1.00 43.31 C ATOM 383 O GLY A 31 -2.286 -13.115 -11.759 1.00 24.33 O ATOM 0 H GLY A 31 -1.911 -16.180 -14.664 1.00 32.01 H new ATOM 0 HA2 GLY A 31 -0.937 -15.209 -12.143 1.00 13.11 H new ATOM 0 HA3 GLY A 31 -0.609 -14.577 -13.744 1.00 13.11 H new ATOM 387 N VAL A 32 -3.224 -13.467 -13.773 1.00 70.13 N ATOM 388 CA VAL A 32 -4.182 -12.377 -13.639 1.00 54.53 C ATOM 389 C VAL A 32 -4.915 -12.450 -12.304 1.00 50.34 C ATOM 390 O VAL A 32 -5.073 -11.443 -11.614 1.00 1.42 O ATOM 391 CB VAL A 32 -5.216 -12.394 -14.781 1.00 61.02 C ATOM 392 CG1 VAL A 32 -6.206 -11.250 -14.623 1.00 60.22 C ATOM 393 CG2 VAL A 32 -4.519 -12.324 -16.131 1.00 44.24 C ATOM 0 H VAL A 32 -3.289 -13.980 -14.652 1.00 70.13 H new ATOM 0 HA VAL A 32 -3.613 -11.449 -13.688 1.00 54.53 H new ATOM 0 HB VAL A 32 -5.770 -13.331 -14.732 1.00 61.02 H new ATOM 0 HG11 VAL A 32 -6.928 -11.279 -15.439 1.00 60.22 H new ATOM 0 HG12 VAL A 32 -6.729 -11.350 -13.672 1.00 60.22 H new ATOM 0 HG13 VAL A 32 -5.671 -10.300 -14.645 1.00 60.22 H new ATOM 0 HG21 VAL A 32 -5.264 -12.337 -16.926 1.00 44.24 H new ATOM 0 HG22 VAL A 32 -3.938 -11.404 -16.193 1.00 44.24 H new ATOM 0 HG23 VAL A 32 -3.855 -13.181 -16.242 1.00 44.24 H new ATOM 403 N LYS A 33 -5.361 -13.649 -11.946 1.00 10.35 N ATOM 404 CA LYS A 33 -6.076 -13.856 -10.692 1.00 11.12 C ATOM 405 C LYS A 33 -5.168 -13.586 -9.496 1.00 50.34 C ATOM 406 O LYS A 33 -5.586 -12.978 -8.510 1.00 72.35 O ATOM 407 CB LYS A 33 -6.619 -15.285 -10.621 1.00 0.03 C ATOM 408 CG LYS A 33 -7.573 -15.630 -11.751 1.00 61.31 C ATOM 409 CD LYS A 33 -7.469 -17.095 -12.141 1.00 23.22 C ATOM 410 CE LYS A 33 -8.586 -17.500 -13.090 1.00 61.22 C ATOM 411 NZ LYS A 33 -8.976 -18.926 -12.911 1.00 72.13 N ATOM 0 H LYS A 33 -5.240 -14.493 -12.507 1.00 10.35 H new ATOM 0 HA LYS A 33 -6.910 -13.154 -10.658 1.00 11.12 H new ATOM 0 HB2 LYS A 33 -5.783 -15.984 -10.637 1.00 0.03 H new ATOM 0 HB3 LYS A 33 -7.132 -15.423 -9.669 1.00 0.03 H new ATOM 0 HG2 LYS A 33 -8.595 -15.405 -11.447 1.00 61.31 H new ATOM 0 HG3 LYS A 33 -7.354 -15.006 -12.617 1.00 61.31 H new ATOM 0 HD2 LYS A 33 -6.504 -17.279 -12.614 1.00 23.22 H new ATOM 0 HD3 LYS A 33 -7.509 -17.715 -11.245 1.00 23.22 H new ATOM 0 HE2 LYS A 33 -9.454 -16.862 -12.922 1.00 61.22 H new ATOM 0 HE3 LYS A 33 -8.265 -17.338 -14.119 1.00 61.22 H new ATOM 0 HZ1 LYS A 33 -9.740 -19.163 -13.576 1.00 72.13 H new ATOM 0 HZ2 LYS A 33 -8.154 -19.536 -13.096 1.00 72.13 H new ATOM 0 HZ3 LYS A 33 -9.306 -19.076 -11.936 1.00 72.13 H new ATOM 425 N LYS A 34 -3.923 -14.039 -9.591 1.00 23.32 N ATOM 426 CA LYS A 34 -2.954 -13.844 -8.519 1.00 23.52 C ATOM 427 C LYS A 34 -2.665 -12.361 -8.309 1.00 71.41 C ATOM 428 O LYS A 34 -2.533 -11.898 -7.175 1.00 60.44 O ATOM 429 CB LYS A 34 -1.654 -14.588 -8.837 1.00 13.22 C ATOM 430 CG LYS A 34 -0.546 -14.333 -7.830 1.00 42.12 C ATOM 431 CD LYS A 34 0.412 -15.509 -7.746 1.00 65.12 C ATOM 432 CE LYS A 34 1.287 -15.428 -6.505 1.00 5.43 C ATOM 433 NZ LYS A 34 2.481 -16.312 -6.608 1.00 70.13 N ATOM 0 H LYS A 34 -3.561 -14.544 -10.400 1.00 23.32 H new ATOM 0 HA LYS A 34 -3.381 -14.246 -7.600 1.00 23.52 H new ATOM 0 HB2 LYS A 34 -1.858 -15.658 -8.877 1.00 13.22 H new ATOM 0 HB3 LYS A 34 -1.309 -14.292 -9.828 1.00 13.22 H new ATOM 0 HG2 LYS A 34 0.003 -13.435 -8.112 1.00 42.12 H new ATOM 0 HG3 LYS A 34 -0.981 -14.146 -6.848 1.00 42.12 H new ATOM 0 HD2 LYS A 34 -0.154 -16.440 -7.733 1.00 65.12 H new ATOM 0 HD3 LYS A 34 1.042 -15.531 -8.636 1.00 65.12 H new ATOM 0 HE2 LYS A 34 1.610 -14.398 -6.355 1.00 5.43 H new ATOM 0 HE3 LYS A 34 0.702 -15.709 -5.629 1.00 5.43 H new ATOM 0 HZ1 LYS A 34 3.051 -16.228 -5.742 1.00 70.13 H new ATOM 0 HZ2 LYS A 34 2.173 -17.299 -6.725 1.00 70.13 H new ATOM 0 HZ3 LYS A 34 3.053 -16.028 -7.429 1.00 70.13 H new ATOM 447 N LEU A 35 -2.570 -11.621 -9.408 1.00 2.11 N ATOM 448 CA LEU A 35 -2.298 -10.189 -9.344 1.00 55.13 C ATOM 449 C LEU A 35 -3.463 -9.442 -8.701 1.00 24.21 C ATOM 450 O LEU A 35 -3.276 -8.678 -7.753 1.00 50.33 O ATOM 451 CB LEU A 35 -2.036 -9.637 -10.747 1.00 11.25 C ATOM 452 CG LEU A 35 -2.061 -8.114 -10.884 1.00 34.11 C ATOM 453 CD1 LEU A 35 -1.139 -7.470 -9.860 1.00 60.44 C ATOM 454 CD2 LEU A 35 -1.668 -7.699 -12.294 1.00 74.33 C ATOM 0 H LEU A 35 -2.677 -11.988 -10.354 1.00 2.11 H new ATOM 0 HA LEU A 35 -1.410 -10.039 -8.729 1.00 55.13 H new ATOM 0 HB2 LEU A 35 -1.063 -9.996 -11.081 1.00 11.25 H new ATOM 0 HB3 LEU A 35 -2.780 -10.055 -11.425 1.00 11.25 H new ATOM 0 HG LEU A 35 -3.077 -7.768 -10.695 1.00 34.11 H new ATOM 0 HD11 LEU A 35 -1.170 -6.386 -9.973 1.00 60.44 H new ATOM 0 HD12 LEU A 35 -1.466 -7.740 -8.856 1.00 60.44 H new ATOM 0 HD13 LEU A 35 -0.119 -7.822 -10.016 1.00 60.44 H new ATOM 0 HD21 LEU A 35 -1.691 -6.612 -12.373 1.00 74.33 H new ATOM 0 HD22 LEU A 35 -0.662 -8.057 -12.512 1.00 74.33 H new ATOM 0 HD23 LEU A 35 -2.369 -8.130 -13.009 1.00 74.33 H new ATOM 466 N LEU A 36 -4.664 -9.670 -9.220 1.00 41.02 N ATOM 467 CA LEU A 36 -5.860 -9.021 -8.695 1.00 50.51 C ATOM 468 C LEU A 36 -6.143 -9.474 -7.267 1.00 34.33 C ATOM 469 O LEU A 36 -6.628 -8.699 -6.443 1.00 44.31 O ATOM 470 CB LEU A 36 -7.064 -9.326 -9.588 1.00 21.42 C ATOM 471 CG LEU A 36 -7.045 -8.695 -10.980 1.00 44.22 C ATOM 472 CD1 LEU A 36 -8.148 -9.281 -11.848 1.00 25.33 C ATOM 473 CD2 LEU A 36 -7.188 -7.183 -10.882 1.00 42.02 C ATOM 0 H LEU A 36 -4.836 -10.299 -10.004 1.00 41.02 H new ATOM 0 HA LEU A 36 -5.686 -7.945 -8.687 1.00 50.51 H new ATOM 0 HB2 LEU A 36 -7.141 -10.407 -9.702 1.00 21.42 H new ATOM 0 HB3 LEU A 36 -7.966 -8.995 -9.073 1.00 21.42 H new ATOM 0 HG LEU A 36 -6.086 -8.920 -11.446 1.00 44.22 H new ATOM 0 HD11 LEU A 36 -8.118 -8.819 -12.835 1.00 25.33 H new ATOM 0 HD12 LEU A 36 -8.001 -10.357 -11.946 1.00 25.33 H new ATOM 0 HD13 LEU A 36 -9.116 -9.088 -11.386 1.00 25.33 H new ATOM 0 HD21 LEU A 36 -7.172 -6.750 -11.882 1.00 42.02 H new ATOM 0 HD22 LEU A 36 -8.132 -6.938 -10.395 1.00 42.02 H new ATOM 0 HD23 LEU A 36 -6.362 -6.777 -10.298 1.00 42.02 H new ATOM 485 N ALA A 37 -5.836 -10.735 -6.980 1.00 33.11 N ATOM 486 CA ALA A 37 -6.054 -11.291 -5.650 1.00 41.11 C ATOM 487 C ALA A 37 -5.173 -10.599 -4.615 1.00 55.20 C ATOM 488 O ALA A 37 -5.503 -10.564 -3.430 1.00 11.41 O ATOM 489 CB ALA A 37 -5.789 -12.789 -5.654 1.00 62.13 C ATOM 0 H ALA A 37 -5.436 -11.391 -7.651 1.00 33.11 H new ATOM 0 HA ALA A 37 -7.095 -11.118 -5.377 1.00 41.11 H new ATOM 0 HB1 ALA A 37 -5.956 -13.191 -4.654 1.00 62.13 H new ATOM 0 HB2 ALA A 37 -6.464 -13.276 -6.358 1.00 62.13 H new ATOM 0 HB3 ALA A 37 -4.757 -12.975 -5.952 1.00 62.13 H new ATOM 495 N ALA A 38 -4.052 -10.050 -5.071 1.00 30.32 N ATOM 496 CA ALA A 38 -3.125 -9.358 -4.184 1.00 61.21 C ATOM 497 C ALA A 38 -3.575 -7.923 -3.931 1.00 62.33 C ATOM 498 O ALA A 38 -3.456 -7.413 -2.818 1.00 13.21 O ATOM 499 CB ALA A 38 -1.721 -9.378 -4.770 1.00 3.25 C ATOM 0 H ALA A 38 -3.764 -10.071 -6.049 1.00 30.32 H new ATOM 0 HA ALA A 38 -3.115 -9.881 -3.228 1.00 61.21 H new ATOM 0 HB1 ALA A 38 -1.039 -8.858 -4.098 1.00 3.25 H new ATOM 0 HB2 ALA A 38 -1.393 -10.410 -4.893 1.00 3.25 H new ATOM 0 HB3 ALA A 38 -1.724 -8.880 -5.740 1.00 3.25 H new ATOM 505 N ALA A 39 -4.091 -7.278 -4.972 1.00 45.32 N ATOM 506 CA ALA A 39 -4.559 -5.902 -4.862 1.00 52.10 C ATOM 507 C ALA A 39 -5.906 -5.836 -4.150 1.00 73.15 C ATOM 508 O ALA A 39 -6.943 -5.638 -4.782 1.00 12.51 O ATOM 509 CB ALA A 39 -4.657 -5.266 -6.241 1.00 3.53 C ATOM 0 H ALA A 39 -4.195 -7.686 -5.901 1.00 45.32 H new ATOM 0 HA ALA A 39 -3.835 -5.344 -4.267 1.00 52.10 H new ATOM 0 HB1 ALA A 39 -5.008 -4.239 -6.144 1.00 3.53 H new ATOM 0 HB2 ALA A 39 -3.675 -5.271 -6.715 1.00 3.53 H new ATOM 0 HB3 ALA A 39 -5.358 -5.832 -6.854 1.00 3.53 H new ATOM 515 N ASN A 40 -5.883 -6.005 -2.832 1.00 41.13 N ATOM 516 CA ASN A 40 -7.103 -5.966 -2.035 1.00 54.10 C ATOM 517 C ASN A 40 -7.205 -4.656 -1.260 1.00 11.13 C ATOM 518 O ASN A 40 -8.245 -4.344 -0.678 1.00 60.03 O ATOM 519 CB ASN A 40 -7.142 -7.149 -1.066 1.00 34.30 C ATOM 520 CG ASN A 40 -8.388 -7.147 -0.200 1.00 64.03 C ATOM 521 OD1 ASN A 40 -8.318 -6.913 1.006 1.00 23.23 O ATOM 522 ND2 ASN A 40 -9.536 -7.408 -0.815 1.00 25.43 N ATOM 0 H ASN A 40 -5.033 -6.170 -2.294 1.00 41.13 H new ATOM 0 HA ASN A 40 -7.953 -6.033 -2.714 1.00 54.10 H new ATOM 0 HB2 ASN A 40 -7.097 -8.080 -1.631 1.00 34.30 H new ATOM 0 HB3 ASN A 40 -6.259 -7.121 -0.427 1.00 34.30 H new ATOM 0 HD21 ASN A 40 -10.407 -7.420 -0.285 1.00 25.43 H new ATOM 0 HD22 ASN A 40 -9.546 -7.596 -1.817 1.00 25.43 H new ATOM 529 N THR A 41 -6.118 -3.891 -1.256 1.00 2.22 N ATOM 530 CA THR A 41 -6.083 -2.615 -0.552 1.00 55.03 C ATOM 531 C THR A 41 -6.166 -1.447 -1.528 1.00 1.30 C ATOM 532 O THR A 41 -6.126 -1.635 -2.744 1.00 60.43 O ATOM 533 CB THR A 41 -4.804 -2.474 0.293 1.00 4.21 C ATOM 534 OG1 THR A 41 -3.798 -3.373 -0.187 1.00 20.45 O ATOM 535 CG2 THR A 41 -5.089 -2.760 1.760 1.00 53.34 C ATOM 0 H THR A 41 -5.249 -4.133 -1.733 1.00 2.22 H new ATOM 0 HA THR A 41 -6.949 -2.595 0.109 1.00 55.03 H new ATOM 0 HB THR A 41 -4.447 -1.448 0.203 1.00 4.21 H new ATOM 0 HG1 THR A 41 -3.127 -3.517 0.513 1.00 20.45 H new ATOM 0 HG21 THR A 41 -4.170 -2.654 2.337 1.00 53.34 H new ATOM 0 HG22 THR A 41 -5.833 -2.055 2.130 1.00 53.34 H new ATOM 0 HG23 THR A 41 -5.468 -3.776 1.866 1.00 53.34 H new ATOM 543 N THR A 42 -6.281 -0.237 -0.988 1.00 25.32 N ATOM 544 CA THR A 42 -6.369 0.962 -1.811 1.00 0.21 C ATOM 545 C THR A 42 -5.032 1.275 -2.472 1.00 45.20 C ATOM 546 O THR A 42 -4.930 1.403 -3.692 1.00 63.43 O ATOM 547 CB THR A 42 -6.816 2.181 -0.982 1.00 35.32 C ATOM 548 OG1 THR A 42 -8.246 2.244 -0.937 1.00 13.32 O ATOM 549 CG2 THR A 42 -6.265 3.469 -1.573 1.00 1.43 C ATOM 0 H THR A 42 -6.315 -0.062 0.016 1.00 25.32 H new ATOM 0 HA THR A 42 -7.114 0.762 -2.581 1.00 0.21 H new ATOM 0 HB THR A 42 -6.425 2.068 0.029 1.00 35.32 H new ATOM 0 HG1 THR A 42 -8.537 2.430 -0.020 1.00 13.32 H new ATOM 0 HG21 THR A 42 -6.594 4.316 -0.971 1.00 1.43 H new ATOM 0 HG22 THR A 42 -5.176 3.430 -1.579 1.00 1.43 H new ATOM 0 HG23 THR A 42 -6.630 3.586 -2.593 1.00 1.43 H new ATOM 557 N PRO A 43 -3.979 1.402 -1.650 1.00 34.22 N ATOM 558 CA PRO A 43 -2.628 1.700 -2.134 1.00 11.35 C ATOM 559 C PRO A 43 -2.015 0.532 -2.898 1.00 22.02 C ATOM 560 O PRO A 43 -0.951 0.664 -3.503 1.00 23.12 O ATOM 561 CB PRO A 43 -1.843 1.970 -0.848 1.00 25.43 C ATOM 562 CG PRO A 43 -2.577 1.220 0.209 1.00 31.52 C ATOM 563 CD PRO A 43 -4.028 1.263 -0.185 1.00 23.24 C ATOM 0 HA PRO A 43 -2.621 2.533 -2.837 1.00 11.35 H new ATOM 0 HB2 PRO A 43 -0.812 1.626 -0.934 1.00 25.43 H new ATOM 0 HB3 PRO A 43 -1.806 3.036 -0.623 1.00 25.43 H new ATOM 0 HG2 PRO A 43 -2.221 0.192 0.277 1.00 31.52 H new ATOM 0 HG3 PRO A 43 -2.425 1.675 1.188 1.00 31.52 H new ATOM 0 HD2 PRO A 43 -4.553 0.356 0.115 1.00 23.24 H new ATOM 0 HD3 PRO A 43 -4.546 2.101 0.281 1.00 23.24 H new ATOM 571 N ASP A 44 -2.692 -0.610 -2.866 1.00 73.24 N ATOM 572 CA ASP A 44 -2.214 -1.802 -3.558 1.00 13.12 C ATOM 573 C ASP A 44 -2.697 -1.821 -5.005 1.00 4.30 C ATOM 574 O ASP A 44 -1.960 -2.212 -5.910 1.00 64.01 O ATOM 575 CB ASP A 44 -2.688 -3.063 -2.833 1.00 12.40 C ATOM 576 CG ASP A 44 -1.700 -3.533 -1.784 1.00 61.31 C ATOM 577 OD1 ASP A 44 -1.746 -4.727 -1.418 1.00 41.31 O ATOM 578 OD2 ASP A 44 -0.880 -2.709 -1.330 1.00 1.43 O ATOM 0 H ASP A 44 -3.573 -0.736 -2.368 1.00 73.24 H new ATOM 0 HA ASP A 44 -1.124 -1.780 -3.558 1.00 13.12 H new ATOM 0 HB2 ASP A 44 -3.650 -2.867 -2.360 1.00 12.40 H new ATOM 0 HB3 ASP A 44 -2.847 -3.859 -3.561 1.00 12.40 H new ATOM 583 N ARG A 45 -3.938 -1.396 -5.215 1.00 73.21 N ATOM 584 CA ARG A 45 -4.520 -1.367 -6.552 1.00 3.52 C ATOM 585 C ARG A 45 -3.977 -0.188 -7.355 1.00 25.22 C ATOM 586 O ARG A 45 -3.672 -0.321 -8.540 1.00 15.21 O ATOM 587 CB ARG A 45 -6.045 -1.279 -6.466 1.00 24.40 C ATOM 588 CG ARG A 45 -6.660 -2.292 -5.515 1.00 20.44 C ATOM 589 CD ARG A 45 -7.590 -3.249 -6.245 1.00 23.14 C ATOM 590 NE ARG A 45 -8.727 -3.644 -5.418 1.00 72.23 N ATOM 591 CZ ARG A 45 -9.570 -4.617 -5.745 1.00 72.33 C ATOM 592 NH1 ARG A 45 -9.404 -5.291 -6.875 1.00 70.10 N ATOM 593 NH2 ARG A 45 -10.582 -4.919 -4.941 1.00 42.51 N ATOM 0 H ARG A 45 -4.560 -1.067 -4.477 1.00 73.21 H new ATOM 0 HA ARG A 45 -4.244 -2.290 -7.061 1.00 3.52 H new ATOM 0 HB2 ARG A 45 -6.325 -0.276 -6.146 1.00 24.40 H new ATOM 0 HB3 ARG A 45 -6.466 -1.425 -7.461 1.00 24.40 H new ATOM 0 HG2 ARG A 45 -5.869 -2.857 -5.022 1.00 20.44 H new ATOM 0 HG3 ARG A 45 -7.213 -1.770 -4.734 1.00 20.44 H new ATOM 0 HD2 ARG A 45 -7.952 -2.777 -7.158 1.00 23.14 H new ATOM 0 HD3 ARG A 45 -7.034 -4.137 -6.545 1.00 23.14 H new ATOM 0 HE ARG A 45 -8.882 -3.146 -4.542 1.00 72.23 H new ATOM 0 HH11 ARG A 45 -8.627 -5.063 -7.496 1.00 70.10 H new ATOM 0 HH12 ARG A 45 -10.053 -6.038 -7.123 1.00 70.10 H new ATOM 0 HH21 ARG A 45 -10.713 -4.404 -4.071 1.00 42.51 H new ATOM 0 HH22 ARG A 45 -11.228 -5.666 -5.194 1.00 42.51 H new ATOM 607 N GLN A 46 -3.858 0.963 -6.701 1.00 34.23 N ATOM 608 CA GLN A 46 -3.353 2.164 -7.355 1.00 13.13 C ATOM 609 C GLN A 46 -1.972 1.918 -7.953 1.00 52.41 C ATOM 610 O GLN A 46 -1.743 2.174 -9.135 1.00 4.23 O ATOM 611 CB GLN A 46 -3.292 3.324 -6.360 1.00 0.42 C ATOM 612 CG GLN A 46 -4.647 3.706 -5.786 1.00 1.10 C ATOM 613 CD GLN A 46 -4.534 4.620 -4.582 1.00 32.25 C ATOM 614 OE1 GLN A 46 -3.790 4.339 -3.642 1.00 64.40 O ATOM 615 NE2 GLN A 46 -5.275 5.722 -4.603 1.00 23.22 N ATOM 0 H GLN A 46 -4.104 1.089 -5.719 1.00 34.23 H new ATOM 0 HA GLN A 46 -4.037 2.423 -8.163 1.00 13.13 H new ATOM 0 HB2 GLN A 46 -2.623 3.055 -5.542 1.00 0.42 H new ATOM 0 HB3 GLN A 46 -2.858 4.193 -6.854 1.00 0.42 H new ATOM 0 HG2 GLN A 46 -5.238 4.199 -6.558 1.00 1.10 H new ATOM 0 HG3 GLN A 46 -5.185 2.802 -5.502 1.00 1.10 H new ATOM 0 HE21 GLN A 46 -5.878 5.916 -5.402 1.00 23.22 H new ATOM 0 HE22 GLN A 46 -5.241 6.374 -3.820 1.00 23.22 H new ATOM 624 N ALA A 47 -1.056 1.421 -7.129 1.00 63.12 N ATOM 625 CA ALA A 47 0.302 1.139 -7.578 1.00 2.14 C ATOM 626 C ALA A 47 0.308 0.094 -8.688 1.00 31.43 C ATOM 627 O ALA A 47 0.908 0.298 -9.743 1.00 14.13 O ATOM 628 CB ALA A 47 1.158 0.675 -6.409 1.00 5.14 C ATOM 0 H ALA A 47 -1.229 1.205 -6.147 1.00 63.12 H new ATOM 0 HA ALA A 47 0.724 2.060 -7.980 1.00 2.14 H new ATOM 0 HB1 ALA A 47 2.170 0.468 -6.758 1.00 5.14 H new ATOM 0 HB2 ALA A 47 1.189 1.455 -5.649 1.00 5.14 H new ATOM 0 HB3 ALA A 47 0.729 -0.231 -5.981 1.00 5.14 H new ATOM 634 N ALA A 48 -0.363 -1.027 -8.442 1.00 60.03 N ATOM 635 CA ALA A 48 -0.436 -2.104 -9.422 1.00 0.10 C ATOM 636 C ALA A 48 -0.888 -1.580 -10.781 1.00 4.00 C ATOM 637 O ALA A 48 -0.305 -1.916 -11.812 1.00 60.24 O ATOM 638 CB ALA A 48 -1.377 -3.197 -8.936 1.00 43.51 C ATOM 0 H ALA A 48 -0.863 -1.213 -7.573 1.00 60.03 H new ATOM 0 HA ALA A 48 0.563 -2.525 -9.538 1.00 0.10 H new ATOM 0 HB1 ALA A 48 -1.422 -3.995 -9.677 1.00 43.51 H new ATOM 0 HB2 ALA A 48 -1.010 -3.600 -7.992 1.00 43.51 H new ATOM 0 HB3 ALA A 48 -2.374 -2.781 -8.790 1.00 43.51 H new ATOM 644 N CYS A 49 -1.930 -0.755 -10.775 1.00 64.45 N ATOM 645 CA CYS A 49 -2.461 -0.185 -12.008 1.00 21.54 C ATOM 646 C CYS A 49 -1.452 0.763 -12.648 1.00 4.44 C ATOM 647 O CYS A 49 -1.005 0.544 -13.773 1.00 22.15 O ATOM 648 CB CYS A 49 -3.769 0.557 -11.728 1.00 72.12 C ATOM 649 SG CYS A 49 -4.690 1.030 -13.227 1.00 11.50 S ATOM 0 H CYS A 49 -2.423 -0.466 -9.930 1.00 64.45 H new ATOM 0 HA CYS A 49 -2.656 -1.002 -12.703 1.00 21.54 H new ATOM 0 HB2 CYS A 49 -4.406 -0.073 -11.107 1.00 72.12 H new ATOM 0 HB3 CYS A 49 -3.549 1.455 -11.151 1.00 72.12 H new ATOM 654 N ASN A 50 -1.097 1.819 -11.922 1.00 31.35 N ATOM 655 CA ASN A 50 -0.141 2.802 -12.418 1.00 21.41 C ATOM 656 C ASN A 50 1.134 2.121 -12.907 1.00 50.34 C ATOM 657 O ASN A 50 1.823 2.632 -13.791 1.00 23.21 O ATOM 658 CB ASN A 50 0.197 3.814 -11.322 1.00 13.33 C ATOM 659 CG ASN A 50 -1.029 4.553 -10.819 1.00 61.34 C ATOM 660 OD1 ASN A 50 -1.923 4.893 -11.594 1.00 41.52 O ATOM 661 ND2 ASN A 50 -1.075 4.804 -9.516 1.00 74.32 N ATOM 0 H ASN A 50 -1.457 2.015 -10.988 1.00 31.35 H new ATOM 0 HA ASN A 50 -0.598 3.325 -13.258 1.00 21.41 H new ATOM 0 HB2 ASN A 50 0.674 3.298 -10.489 1.00 13.33 H new ATOM 0 HB3 ASN A 50 0.920 4.534 -11.706 1.00 13.33 H new ATOM 0 HD21 ASN A 50 -1.875 5.298 -9.120 1.00 74.32 H new ATOM 0 HD22 ASN A 50 -0.311 4.503 -8.911 1.00 74.32 H new ATOM 668 N CYS A 51 1.441 0.966 -12.328 1.00 23.31 N ATOM 669 CA CYS A 51 2.632 0.214 -12.704 1.00 5.00 C ATOM 670 C CYS A 51 2.454 -0.439 -14.071 1.00 62.34 C ATOM 671 O CYS A 51 3.356 -0.406 -14.910 1.00 73.01 O ATOM 672 CB CYS A 51 2.940 -0.854 -11.653 1.00 2.15 C ATOM 673 SG CYS A 51 4.038 -0.286 -10.315 1.00 4.42 S ATOM 0 H CYS A 51 0.881 0.530 -11.596 1.00 23.31 H new ATOM 0 HA CYS A 51 3.468 0.911 -12.760 1.00 5.00 H new ATOM 0 HB2 CYS A 51 2.003 -1.200 -11.217 1.00 2.15 H new ATOM 0 HB3 CYS A 51 3.399 -1.711 -12.145 1.00 2.15 H new ATOM 678 N LEU A 52 1.286 -1.033 -14.289 1.00 52.44 N ATOM 679 CA LEU A 52 0.988 -1.694 -15.555 1.00 52.12 C ATOM 680 C LEU A 52 0.681 -0.671 -16.645 1.00 21.53 C ATOM 681 O LEU A 52 1.300 -0.678 -17.709 1.00 52.42 O ATOM 682 CB LEU A 52 -0.196 -2.649 -15.388 1.00 44.32 C ATOM 683 CG LEU A 52 0.115 -3.995 -14.733 1.00 3.34 C ATOM 684 CD1 LEU A 52 -1.169 -4.748 -14.426 1.00 34.43 C ATOM 685 CD2 LEU A 52 1.023 -4.826 -15.627 1.00 22.42 C ATOM 0 H LEU A 52 0.530 -1.071 -13.606 1.00 52.44 H new ATOM 0 HA LEU A 52 1.867 -2.264 -15.855 1.00 52.12 H new ATOM 0 HB2 LEU A 52 -0.961 -2.147 -14.795 1.00 44.32 H new ATOM 0 HB3 LEU A 52 -0.627 -2.837 -16.371 1.00 44.32 H new ATOM 0 HG LEU A 52 0.636 -3.809 -13.794 1.00 3.34 H new ATOM 0 HD11 LEU A 52 -0.928 -5.704 -13.960 1.00 34.43 H new ATOM 0 HD12 LEU A 52 -1.783 -4.158 -13.746 1.00 34.43 H new ATOM 0 HD13 LEU A 52 -1.718 -4.924 -15.351 1.00 34.43 H new ATOM 0 HD21 LEU A 52 1.234 -5.781 -15.145 1.00 22.42 H new ATOM 0 HD22 LEU A 52 0.529 -5.003 -16.583 1.00 22.42 H new ATOM 0 HD23 LEU A 52 1.957 -4.290 -15.795 1.00 22.42 H new ATOM 697 N LYS A 53 -0.277 0.208 -16.371 1.00 62.31 N ATOM 698 CA LYS A 53 -0.664 1.240 -17.326 1.00 33.45 C ATOM 699 C LYS A 53 0.563 1.957 -17.880 1.00 33.34 C ATOM 700 O LYS A 53 0.748 2.043 -19.094 1.00 34.25 O ATOM 701 CB LYS A 53 -1.603 2.250 -16.662 1.00 43.32 C ATOM 702 CG LYS A 53 -2.946 2.381 -17.358 1.00 73.25 C ATOM 703 CD LYS A 53 -3.836 3.401 -16.667 1.00 62.53 C ATOM 704 CE LYS A 53 -3.481 4.821 -17.080 1.00 62.34 C ATOM 705 NZ LYS A 53 -2.376 5.379 -16.253 1.00 44.12 N ATOM 0 H LYS A 53 -0.800 0.226 -15.495 1.00 62.31 H new ATOM 0 HA LYS A 53 -1.185 0.758 -18.154 1.00 33.45 H new ATOM 0 HB2 LYS A 53 -1.768 1.954 -15.626 1.00 43.32 H new ATOM 0 HB3 LYS A 53 -1.117 3.226 -16.641 1.00 43.32 H new ATOM 0 HG2 LYS A 53 -2.792 2.676 -18.396 1.00 73.25 H new ATOM 0 HG3 LYS A 53 -3.445 1.412 -17.373 1.00 73.25 H new ATOM 0 HD2 LYS A 53 -4.879 3.200 -16.911 1.00 62.53 H new ATOM 0 HD3 LYS A 53 -3.736 3.300 -15.586 1.00 62.53 H new ATOM 0 HE2 LYS A 53 -3.190 4.832 -18.130 1.00 62.34 H new ATOM 0 HE3 LYS A 53 -4.361 5.457 -16.987 1.00 62.34 H new ATOM 0 HZ1 LYS A 53 -2.591 6.367 -16.008 1.00 44.12 H new ATOM 0 HZ2 LYS A 53 -2.278 4.819 -15.382 1.00 44.12 H new ATOM 0 HZ3 LYS A 53 -1.487 5.341 -16.791 1.00 44.12 H new ATOM 719 N SER A 54 1.399 2.469 -16.982 1.00 71.31 N ATOM 720 CA SER A 54 2.607 3.180 -17.382 1.00 3.32 C ATOM 721 C SER A 54 3.482 2.306 -18.275 1.00 41.12 C ATOM 722 O SER A 54 3.941 2.742 -19.330 1.00 64.14 O ATOM 723 CB SER A 54 3.398 3.620 -16.148 1.00 35.33 C ATOM 724 OG SER A 54 4.589 4.291 -16.518 1.00 2.43 O ATOM 0 H SER A 54 1.262 2.405 -15.973 1.00 71.31 H new ATOM 0 HA SER A 54 2.308 4.063 -17.947 1.00 3.32 H new ATOM 0 HB2 SER A 54 2.783 4.277 -15.533 1.00 35.33 H new ATOM 0 HB3 SER A 54 3.642 2.749 -15.539 1.00 35.33 H new ATOM 0 HG SER A 54 5.075 4.563 -15.712 1.00 2.43 H new ATOM 730 N ALA A 55 3.708 1.070 -17.844 1.00 21.43 N ATOM 731 CA ALA A 55 4.526 0.133 -18.604 1.00 73.41 C ATOM 732 C ALA A 55 3.879 -0.197 -19.945 1.00 44.24 C ATOM 733 O ALA A 55 4.559 -0.595 -20.891 1.00 75.50 O ATOM 734 CB ALA A 55 4.757 -1.139 -17.801 1.00 15.11 C ATOM 0 H ALA A 55 3.336 0.694 -16.972 1.00 21.43 H new ATOM 0 HA ALA A 55 5.488 0.606 -18.800 1.00 73.41 H new ATOM 0 HB1 ALA A 55 5.369 -1.829 -18.381 1.00 15.11 H new ATOM 0 HB2 ALA A 55 5.269 -0.894 -16.870 1.00 15.11 H new ATOM 0 HB3 ALA A 55 3.798 -1.606 -17.575 1.00 15.11 H new ATOM 740 N ALA A 56 2.563 -0.028 -20.020 1.00 63.02 N ATOM 741 CA ALA A 56 1.826 -0.306 -21.246 1.00 72.33 C ATOM 742 C ALA A 56 2.022 0.807 -22.270 1.00 24.12 C ATOM 743 O ALA A 56 2.026 0.562 -23.475 1.00 73.43 O ATOM 744 CB ALA A 56 0.347 -0.491 -20.942 1.00 55.01 C ATOM 0 H ALA A 56 1.986 0.300 -19.246 1.00 63.02 H new ATOM 0 HA ALA A 56 2.217 -1.230 -21.673 1.00 72.33 H new ATOM 0 HB1 ALA A 56 -0.191 -0.698 -21.867 1.00 55.01 H new ATOM 0 HB2 ALA A 56 0.219 -1.326 -20.253 1.00 55.01 H new ATOM 0 HB3 ALA A 56 -0.048 0.418 -20.488 1.00 55.01 H new ATOM 750 N GLY A 57 2.186 2.033 -21.781 1.00 35.44 N ATOM 751 CA GLY A 57 2.379 3.165 -22.667 1.00 5.32 C ATOM 752 C GLY A 57 3.595 3.003 -23.558 1.00 73.52 C ATOM 753 O GLY A 57 3.676 3.610 -24.626 1.00 12.35 O ATOM 0 H GLY A 57 2.189 2.262 -20.787 1.00 35.44 H new ATOM 0 HA2 GLY A 57 1.492 3.292 -23.288 1.00 5.32 H new ATOM 0 HA3 GLY A 57 2.486 4.073 -22.073 1.00 5.32 H new ATOM 757 N SER A 58 4.543 2.181 -23.119 1.00 41.21 N ATOM 758 CA SER A 58 5.763 1.945 -23.882 1.00 71.33 C ATOM 759 C SER A 58 5.594 0.754 -24.822 1.00 12.44 C ATOM 760 O SER A 58 6.526 0.371 -25.529 1.00 31.10 O ATOM 761 CB SER A 58 6.941 1.700 -22.938 1.00 3.13 C ATOM 762 OG SER A 58 7.141 2.806 -22.075 1.00 4.30 O ATOM 0 H SER A 58 4.490 1.668 -22.239 1.00 41.21 H new ATOM 0 HA SER A 58 5.965 2.833 -24.481 1.00 71.33 H new ATOM 0 HB2 SER A 58 6.757 0.802 -22.347 1.00 3.13 H new ATOM 0 HB3 SER A 58 7.845 1.520 -23.519 1.00 3.13 H new ATOM 0 HG SER A 58 7.898 2.624 -21.480 1.00 4.30 H new ATOM 768 N ILE A 59 4.398 0.175 -24.822 1.00 63.33 N ATOM 769 CA ILE A 59 4.106 -0.971 -25.675 1.00 31.03 C ATOM 770 C ILE A 59 3.221 -0.570 -26.850 1.00 71.10 C ATOM 771 O ILE A 59 2.128 -0.033 -26.665 1.00 22.03 O ATOM 772 CB ILE A 59 3.413 -2.098 -24.886 1.00 10.54 C ATOM 773 CG1 ILE A 59 4.034 -2.232 -23.494 1.00 1.42 C ATOM 774 CG2 ILE A 59 3.510 -3.413 -25.644 1.00 44.20 C ATOM 775 CD1 ILE A 59 3.428 -3.344 -22.666 1.00 43.43 C ATOM 0 H ILE A 59 3.616 0.480 -24.242 1.00 63.33 H new ATOM 0 HA ILE A 59 5.062 -1.336 -26.051 1.00 31.03 H new ATOM 0 HB ILE A 59 2.359 -1.845 -24.770 1.00 10.54 H new ATOM 0 HG12 ILE A 59 5.104 -2.410 -23.598 1.00 1.42 H new ATOM 0 HG13 ILE A 59 3.918 -1.288 -22.961 1.00 1.42 H new ATOM 0 HG21 ILE A 59 3.016 -4.199 -25.073 1.00 44.20 H new ATOM 0 HG22 ILE A 59 3.025 -3.310 -26.615 1.00 44.20 H new ATOM 0 HG23 ILE A 59 4.559 -3.674 -25.788 1.00 44.20 H new ATOM 0 HD11 ILE A 59 3.917 -3.380 -21.692 1.00 43.43 H new ATOM 0 HD12 ILE A 59 2.363 -3.158 -22.531 1.00 43.43 H new ATOM 0 HD13 ILE A 59 3.568 -4.296 -23.178 1.00 43.43 H new ATOM 787 N THR A 60 3.699 -0.836 -28.062 1.00 20.33 N ATOM 788 CA THR A 60 2.952 -0.504 -29.268 1.00 73.31 C ATOM 789 C THR A 60 2.013 -1.639 -29.663 1.00 11.52 C ATOM 790 O THR A 60 0.957 -1.408 -30.253 1.00 44.03 O ATOM 791 CB THR A 60 3.895 -0.200 -30.447 1.00 51.13 C ATOM 792 OG1 THR A 60 3.174 0.461 -31.493 1.00 60.13 O ATOM 793 CG2 THR A 60 4.520 -1.479 -30.984 1.00 53.35 C ATOM 0 H THR A 60 4.601 -1.281 -28.234 1.00 20.33 H new ATOM 0 HA THR A 60 2.366 0.387 -29.042 1.00 73.31 H new ATOM 0 HB THR A 60 4.692 0.451 -30.088 1.00 51.13 H new ATOM 0 HG1 THR A 60 3.781 0.652 -32.238 1.00 60.13 H new ATOM 0 HG21 THR A 60 5.182 -1.239 -31.816 1.00 53.35 H new ATOM 0 HG22 THR A 60 5.092 -1.964 -30.193 1.00 53.35 H new ATOM 0 HG23 THR A 60 3.734 -2.151 -31.328 1.00 53.35 H new ATOM 801 N LYS A 61 2.403 -2.865 -29.333 1.00 32.13 N ATOM 802 CA LYS A 61 1.595 -4.037 -29.651 1.00 2.34 C ATOM 803 C LYS A 61 0.458 -4.202 -28.648 1.00 54.20 C ATOM 804 O LYS A 61 -0.459 -4.998 -28.859 1.00 3.42 O ATOM 805 CB LYS A 61 2.467 -5.295 -29.661 1.00 13.30 C ATOM 806 CG LYS A 61 3.639 -5.214 -30.623 1.00 24.41 C ATOM 807 CD LYS A 61 3.183 -5.317 -32.069 1.00 12.24 C ATOM 808 CE LYS A 61 4.154 -4.622 -33.010 1.00 41.24 C ATOM 809 NZ LYS A 61 3.549 -4.376 -34.349 1.00 11.44 N ATOM 0 H LYS A 61 3.274 -3.074 -28.845 1.00 32.13 H new ATOM 0 HA LYS A 61 1.164 -3.893 -30.642 1.00 2.34 H new ATOM 0 HB2 LYS A 61 2.845 -5.473 -28.654 1.00 13.30 H new ATOM 0 HB3 LYS A 61 1.849 -6.153 -29.925 1.00 13.30 H new ATOM 0 HG2 LYS A 61 4.169 -4.273 -30.474 1.00 24.41 H new ATOM 0 HG3 LYS A 61 4.345 -6.015 -30.405 1.00 24.41 H new ATOM 0 HD2 LYS A 61 3.092 -6.366 -32.349 1.00 12.24 H new ATOM 0 HD3 LYS A 61 2.193 -4.872 -32.172 1.00 12.24 H new ATOM 0 HE2 LYS A 61 4.467 -3.674 -32.573 1.00 41.24 H new ATOM 0 HE3 LYS A 61 5.050 -5.232 -33.123 1.00 41.24 H new ATOM 0 HZ1 LYS A 61 4.242 -3.901 -34.961 1.00 11.44 H new ATOM 0 HZ2 LYS A 61 3.273 -5.283 -34.777 1.00 11.44 H new ATOM 0 HZ3 LYS A 61 2.708 -3.773 -34.245 1.00 11.44 H new ATOM 823 N LEU A 62 0.521 -3.445 -27.558 1.00 43.12 N ATOM 824 CA LEU A 62 -0.505 -3.506 -26.523 1.00 61.31 C ATOM 825 C LEU A 62 -1.896 -3.336 -27.125 1.00 11.12 C ATOM 826 O LEU A 62 -2.185 -2.330 -27.771 1.00 4.30 O ATOM 827 CB LEU A 62 -0.258 -2.427 -25.468 1.00 24.04 C ATOM 828 CG LEU A 62 -1.379 -2.214 -24.450 1.00 24.54 C ATOM 829 CD1 LEU A 62 -1.248 -3.199 -23.298 1.00 61.42 C ATOM 830 CD2 LEU A 62 -1.366 -0.783 -23.933 1.00 41.04 C ATOM 0 H LEU A 62 1.272 -2.782 -27.368 1.00 43.12 H new ATOM 0 HA LEU A 62 -0.451 -4.487 -26.050 1.00 61.31 H new ATOM 0 HB2 LEU A 62 0.654 -2.679 -24.927 1.00 24.04 H new ATOM 0 HB3 LEU A 62 -0.075 -1.482 -25.980 1.00 24.04 H new ATOM 0 HG LEU A 62 -2.333 -2.391 -24.947 1.00 24.54 H new ATOM 0 HD11 LEU A 62 -2.054 -3.033 -22.583 1.00 61.42 H new ATOM 0 HD12 LEU A 62 -1.308 -4.218 -23.682 1.00 61.42 H new ATOM 0 HD13 LEU A 62 -0.288 -3.054 -22.802 1.00 61.42 H new ATOM 0 HD21 LEU A 62 -2.171 -0.650 -23.210 1.00 41.04 H new ATOM 0 HD22 LEU A 62 -0.409 -0.578 -23.453 1.00 41.04 H new ATOM 0 HD23 LEU A 62 -1.509 -0.094 -24.765 1.00 41.04 H new ATOM 842 N ASN A 63 -2.755 -4.326 -26.906 1.00 13.04 N ATOM 843 CA ASN A 63 -4.118 -4.285 -27.425 1.00 5.11 C ATOM 844 C ASN A 63 -5.116 -3.984 -26.311 1.00 5.31 C ATOM 845 O ASN A 63 -5.543 -4.882 -25.585 1.00 54.01 O ATOM 846 CB ASN A 63 -4.470 -5.614 -28.095 1.00 73.13 C ATOM 847 CG ASN A 63 -4.080 -6.810 -27.249 1.00 31.24 C ATOM 848 OD1 ASN A 63 -3.859 -6.686 -26.044 1.00 30.31 O ATOM 849 ND2 ASN A 63 -3.994 -7.977 -27.877 1.00 45.21 N ATOM 0 H ASN A 63 -2.532 -5.166 -26.373 1.00 13.04 H new ATOM 0 HA ASN A 63 -4.175 -3.486 -28.164 1.00 5.11 H new ATOM 0 HB2 ASN A 63 -5.542 -5.646 -28.292 1.00 73.13 H new ATOM 0 HB3 ASN A 63 -3.967 -5.676 -29.060 1.00 73.13 H new ATOM 0 HD21 ASN A 63 -3.736 -8.817 -27.359 1.00 45.21 H new ATOM 0 HD22 ASN A 63 -4.186 -8.033 -28.877 1.00 45.21 H new ATOM 856 N THR A 64 -5.484 -2.713 -26.181 1.00 43.20 N ATOM 857 CA THR A 64 -6.430 -2.292 -25.156 1.00 75.30 C ATOM 858 C THR A 64 -7.684 -3.160 -25.176 1.00 3.11 C ATOM 859 O THR A 64 -8.357 -3.317 -24.159 1.00 33.04 O ATOM 860 CB THR A 64 -6.838 -0.818 -25.338 1.00 43.13 C ATOM 861 OG1 THR A 64 -7.609 -0.667 -26.535 1.00 62.14 O ATOM 862 CG2 THR A 64 -5.610 0.078 -25.403 1.00 53.43 C ATOM 0 H THR A 64 -5.141 -1.957 -26.774 1.00 43.20 H new ATOM 0 HA THR A 64 -5.927 -2.406 -24.196 1.00 75.30 H new ATOM 0 HB THR A 64 -7.440 -0.521 -24.479 1.00 43.13 H new ATOM 0 HG1 THR A 64 -7.866 0.273 -26.642 1.00 62.14 H new ATOM 0 HG21 THR A 64 -5.922 1.114 -25.532 1.00 53.43 H new ATOM 0 HG22 THR A 64 -5.041 -0.017 -24.478 1.00 53.43 H new ATOM 0 HG23 THR A 64 -4.986 -0.220 -26.246 1.00 53.43 H new ATOM 870 N ASN A 65 -7.990 -3.722 -26.341 1.00 13.04 N ATOM 871 CA ASN A 65 -9.164 -4.575 -26.492 1.00 44.34 C ATOM 872 C ASN A 65 -9.030 -5.839 -25.649 1.00 30.00 C ATOM 873 O ASN A 65 -9.894 -6.144 -24.828 1.00 51.31 O ATOM 874 CB ASN A 65 -9.362 -4.948 -27.963 1.00 1.21 C ATOM 875 CG ASN A 65 -10.242 -3.955 -28.698 1.00 20.13 C ATOM 876 OD1 ASN A 65 -10.902 -3.118 -28.081 1.00 64.30 O ATOM 877 ND2 ASN A 65 -10.256 -4.044 -30.023 1.00 22.45 N ATOM 0 H ASN A 65 -7.442 -3.603 -27.193 1.00 13.04 H new ATOM 0 HA ASN A 65 -10.034 -4.019 -26.144 1.00 44.34 H new ATOM 0 HB2 ASN A 65 -8.391 -5.002 -28.455 1.00 1.21 H new ATOM 0 HB3 ASN A 65 -9.808 -5.941 -28.026 1.00 1.21 H new ATOM 0 HD21 ASN A 65 -10.830 -3.403 -30.571 1.00 22.45 H new ATOM 0 HD22 ASN A 65 -9.693 -4.753 -30.492 1.00 22.45 H new ATOM 884 N ASN A 66 -7.940 -6.571 -25.858 1.00 13.33 N ATOM 885 CA ASN A 66 -7.693 -7.802 -25.117 1.00 21.23 C ATOM 886 C ASN A 66 -7.340 -7.501 -23.663 1.00 52.12 C ATOM 887 O ASN A 66 -7.484 -8.355 -22.789 1.00 55.01 O ATOM 888 CB ASN A 66 -6.563 -8.599 -25.773 1.00 13.42 C ATOM 889 CG ASN A 66 -6.890 -8.999 -27.199 1.00 14.35 C ATOM 890 OD1 ASN A 66 -7.842 -8.494 -27.794 1.00 12.41 O ATOM 891 ND2 ASN A 66 -6.100 -9.911 -27.753 1.00 13.20 N ATOM 0 H ASN A 66 -7.214 -6.333 -26.534 1.00 13.33 H new ATOM 0 HA ASN A 66 -8.606 -8.397 -25.135 1.00 21.23 H new ATOM 0 HB2 ASN A 66 -5.650 -8.003 -25.766 1.00 13.42 H new ATOM 0 HB3 ASN A 66 -6.364 -9.494 -25.184 1.00 13.42 H new ATOM 0 HD21 ASN A 66 -6.271 -10.220 -28.710 1.00 13.20 H new ATOM 0 HD22 ASN A 66 -5.322 -10.302 -27.222 1.00 13.20 H new ATOM 898 N ALA A 67 -6.878 -6.280 -23.413 1.00 62.40 N ATOM 899 CA ALA A 67 -6.507 -5.865 -22.066 1.00 31.21 C ATOM 900 C ALA A 67 -7.741 -5.677 -21.190 1.00 72.42 C ATOM 901 O ALA A 67 -7.722 -5.987 -19.999 1.00 70.54 O ATOM 902 CB ALA A 67 -5.692 -4.581 -22.115 1.00 21.42 C ATOM 0 H ALA A 67 -6.752 -5.561 -24.126 1.00 62.40 H new ATOM 0 HA ALA A 67 -5.897 -6.653 -21.625 1.00 31.21 H new ATOM 0 HB1 ALA A 67 -5.422 -4.283 -21.102 1.00 21.42 H new ATOM 0 HB2 ALA A 67 -4.786 -4.747 -22.698 1.00 21.42 H new ATOM 0 HB3 ALA A 67 -6.283 -3.792 -22.580 1.00 21.42 H new ATOM 908 N ALA A 68 -8.813 -5.167 -21.788 1.00 30.03 N ATOM 909 CA ALA A 68 -10.056 -4.939 -21.062 1.00 74.20 C ATOM 910 C ALA A 68 -10.802 -6.248 -20.826 1.00 73.24 C ATOM 911 O ALA A 68 -11.359 -6.471 -19.752 1.00 73.40 O ATOM 912 CB ALA A 68 -10.937 -3.957 -21.820 1.00 12.45 C ATOM 0 H ALA A 68 -8.845 -4.904 -22.773 1.00 30.03 H new ATOM 0 HA ALA A 68 -9.807 -4.512 -20.090 1.00 74.20 H new ATOM 0 HB1 ALA A 68 -11.862 -3.796 -21.266 1.00 12.45 H new ATOM 0 HB2 ALA A 68 -10.412 -3.009 -21.932 1.00 12.45 H new ATOM 0 HB3 ALA A 68 -11.169 -4.362 -22.805 1.00 12.45 H new ATOM 918 N ALA A 69 -10.809 -7.110 -21.838 1.00 34.21 N ATOM 919 CA ALA A 69 -11.486 -8.398 -21.740 1.00 1.52 C ATOM 920 C ALA A 69 -10.569 -9.454 -21.133 1.00 35.52 C ATOM 921 O ALA A 69 -10.989 -10.586 -20.884 1.00 2.54 O ATOM 922 CB ALA A 69 -11.974 -8.843 -23.110 1.00 63.34 C ATOM 0 H ALA A 69 -10.354 -6.940 -22.735 1.00 34.21 H new ATOM 0 HA ALA A 69 -12.347 -8.280 -21.082 1.00 1.52 H new ATOM 0 HB1 ALA A 69 -12.477 -9.806 -23.022 1.00 63.34 H new ATOM 0 HB2 ALA A 69 -12.671 -8.104 -23.506 1.00 63.34 H new ATOM 0 HB3 ALA A 69 -11.124 -8.938 -23.786 1.00 63.34 H new ATOM 928 N LEU A 70 -9.317 -9.080 -20.898 1.00 1.14 N ATOM 929 CA LEU A 70 -8.340 -9.996 -20.320 1.00 21.51 C ATOM 930 C LEU A 70 -8.841 -10.563 -18.995 1.00 54.05 C ATOM 931 O LEU A 70 -8.990 -11.773 -18.826 1.00 60.44 O ATOM 932 CB LEU A 70 -7.004 -9.282 -20.109 1.00 22.21 C ATOM 933 CG LEU A 70 -6.135 -9.808 -18.966 1.00 22.11 C ATOM 934 CD1 LEU A 70 -5.746 -11.257 -19.214 1.00 71.20 C ATOM 935 CD2 LEU A 70 -4.895 -8.943 -18.797 1.00 45.42 C ATOM 0 H LEU A 70 -8.954 -8.148 -21.099 1.00 1.14 H new ATOM 0 HA LEU A 70 -8.198 -10.822 -21.017 1.00 21.51 H new ATOM 0 HB2 LEU A 70 -6.431 -9.346 -21.034 1.00 22.21 H new ATOM 0 HB3 LEU A 70 -7.204 -8.225 -19.930 1.00 22.21 H new ATOM 0 HG LEU A 70 -6.715 -9.762 -18.044 1.00 22.11 H new ATOM 0 HD11 LEU A 70 -5.128 -11.614 -18.390 1.00 71.20 H new ATOM 0 HD12 LEU A 70 -6.646 -11.868 -19.284 1.00 71.20 H new ATOM 0 HD13 LEU A 70 -5.185 -11.329 -20.146 1.00 71.20 H new ATOM 0 HD21 LEU A 70 -4.289 -9.332 -17.979 1.00 45.42 H new ATOM 0 HD22 LEU A 70 -4.313 -8.957 -19.719 1.00 45.42 H new ATOM 0 HD23 LEU A 70 -5.194 -7.919 -18.572 1.00 45.42 H new ATOM 947 N PRO A 71 -9.111 -9.668 -18.033 1.00 72.42 N ATOM 948 CA PRO A 71 -9.603 -10.056 -16.708 1.00 11.33 C ATOM 949 C PRO A 71 -11.032 -10.586 -16.752 1.00 12.42 C ATOM 950 O PRO A 71 -11.439 -11.373 -15.898 1.00 54.44 O ATOM 951 CB PRO A 71 -9.541 -8.750 -15.911 1.00 32.20 C ATOM 952 CG PRO A 71 -9.641 -7.675 -16.937 1.00 41.03 C ATOM 953 CD PRO A 71 -8.957 -8.210 -18.165 1.00 53.12 C ATOM 0 HA PRO A 71 -9.014 -10.864 -16.275 1.00 11.33 H new ATOM 0 HB2 PRO A 71 -10.357 -8.687 -15.191 1.00 32.20 H new ATOM 0 HB3 PRO A 71 -8.611 -8.674 -15.347 1.00 32.20 H new ATOM 0 HG2 PRO A 71 -10.682 -7.430 -17.146 1.00 41.03 H new ATOM 0 HG3 PRO A 71 -9.162 -6.759 -16.591 1.00 41.03 H new ATOM 0 HD2 PRO A 71 -9.422 -7.838 -19.078 1.00 53.12 H new ATOM 0 HD3 PRO A 71 -7.907 -7.918 -18.200 1.00 53.12 H new ATOM 961 N GLY A 72 -11.790 -10.149 -17.753 1.00 51.32 N ATOM 962 CA GLY A 72 -13.166 -10.590 -17.890 1.00 22.24 C ATOM 963 C GLY A 72 -13.270 -12.024 -18.370 1.00 44.04 C ATOM 964 O GLY A 72 -13.968 -12.840 -17.769 1.00 12.14 O ATOM 0 H GLY A 72 -11.476 -9.497 -18.472 1.00 51.32 H new ATOM 0 HA2 GLY A 72 -13.672 -10.494 -16.930 1.00 22.24 H new ATOM 0 HA3 GLY A 72 -13.686 -9.937 -18.591 1.00 22.24 H new ATOM 968 N LYS A 73 -12.574 -12.333 -19.459 1.00 50.05 N ATOM 969 CA LYS A 73 -12.590 -13.678 -20.022 1.00 53.14 C ATOM 970 C LYS A 73 -12.038 -14.692 -19.025 1.00 54.23 C ATOM 971 O LYS A 73 -12.337 -15.884 -19.107 1.00 2.32 O ATOM 972 CB LYS A 73 -11.773 -13.722 -21.316 1.00 13.34 C ATOM 973 CG LYS A 73 -12.551 -13.275 -22.542 1.00 5.54 C ATOM 974 CD LYS A 73 -12.083 -13.998 -23.793 1.00 65.01 C ATOM 975 CE LYS A 73 -11.438 -13.040 -24.783 1.00 1.32 C ATOM 976 NZ LYS A 73 -10.881 -13.754 -25.965 1.00 31.44 N ATOM 0 H LYS A 73 -11.991 -11.670 -19.970 1.00 50.05 H new ATOM 0 HA LYS A 73 -13.625 -13.939 -20.244 1.00 53.14 H new ATOM 0 HB2 LYS A 73 -10.894 -13.088 -21.203 1.00 13.34 H new ATOM 0 HB3 LYS A 73 -11.414 -14.739 -21.475 1.00 13.34 H new ATOM 0 HG2 LYS A 73 -13.614 -13.463 -22.388 1.00 5.54 H new ATOM 0 HG3 LYS A 73 -12.434 -12.200 -22.677 1.00 5.54 H new ATOM 0 HD2 LYS A 73 -11.369 -14.775 -23.520 1.00 65.01 H new ATOM 0 HD3 LYS A 73 -12.930 -14.495 -24.266 1.00 65.01 H new ATOM 0 HE2 LYS A 73 -12.176 -12.310 -25.115 1.00 1.32 H new ATOM 0 HE3 LYS A 73 -10.642 -12.486 -24.286 1.00 1.32 H new ATOM 0 HZ1 LYS A 73 -9.969 -13.329 -26.229 1.00 31.44 H new ATOM 0 HZ2 LYS A 73 -10.740 -14.757 -25.730 1.00 31.44 H new ATOM 0 HZ3 LYS A 73 -11.544 -13.675 -26.762 1.00 31.44 H new ATOM 990 N CYS A 74 -11.233 -14.211 -18.084 1.00 12.00 N ATOM 991 CA CYS A 74 -10.640 -15.074 -17.070 1.00 71.51 C ATOM 992 C CYS A 74 -11.577 -15.235 -15.876 1.00 52.24 C ATOM 993 O CYS A 74 -11.208 -15.817 -14.857 1.00 42.24 O ATOM 994 CB CYS A 74 -9.298 -14.504 -16.606 1.00 73.41 C ATOM 995 SG CYS A 74 -7.971 -14.621 -17.849 1.00 14.12 S ATOM 0 H CYS A 74 -10.976 -13.227 -18.003 1.00 12.00 H new ATOM 0 HA CYS A 74 -10.476 -16.055 -17.515 1.00 71.51 H new ATOM 0 HB2 CYS A 74 -9.435 -13.458 -16.333 1.00 73.41 H new ATOM 0 HB3 CYS A 74 -8.984 -15.030 -15.704 1.00 73.41 H new ATOM 1000 N GLY A 75 -12.793 -14.714 -16.011 1.00 51.32 N ATOM 1001 CA GLY A 75 -13.764 -14.809 -14.937 1.00 74.32 C ATOM 1002 C GLY A 75 -13.292 -14.131 -13.666 1.00 72.44 C ATOM 1003 O GLY A 75 -12.942 -14.797 -12.692 1.00 31.31 O ATOM 0 H GLY A 75 -13.123 -14.228 -16.845 1.00 51.32 H new ATOM 0 HA2 GLY A 75 -14.702 -14.357 -15.259 1.00 74.32 H new ATOM 0 HA3 GLY A 75 -13.970 -15.859 -14.730 1.00 74.32 H new ATOM 1007 N VAL A 76 -13.280 -12.802 -13.676 1.00 34.22 N ATOM 1008 CA VAL A 76 -12.847 -12.033 -12.515 1.00 62.23 C ATOM 1009 C VAL A 76 -13.858 -10.946 -12.168 1.00 25.24 C ATOM 1010 O VAL A 76 -14.529 -10.405 -13.045 1.00 21.20 O ATOM 1011 CB VAL A 76 -11.472 -11.382 -12.755 1.00 64.52 C ATOM 1012 CG1 VAL A 76 -10.935 -10.778 -11.467 1.00 24.23 C ATOM 1013 CG2 VAL A 76 -10.494 -12.399 -13.325 1.00 42.11 C ATOM 0 H VAL A 76 -13.565 -12.235 -14.475 1.00 34.22 H new ATOM 0 HA VAL A 76 -12.770 -12.732 -11.682 1.00 62.23 H new ATOM 0 HB VAL A 76 -11.591 -10.579 -13.482 1.00 64.52 H new ATOM 0 HG11 VAL A 76 -9.963 -10.323 -11.656 1.00 24.23 H new ATOM 0 HG12 VAL A 76 -11.627 -10.018 -11.105 1.00 24.23 H new ATOM 0 HG13 VAL A 76 -10.829 -11.560 -10.715 1.00 24.23 H new ATOM 0 HG21 VAL A 76 -9.528 -11.922 -13.489 1.00 42.11 H new ATOM 0 HG22 VAL A 76 -10.377 -13.225 -12.623 1.00 42.11 H new ATOM 0 HG23 VAL A 76 -10.876 -12.780 -14.272 1.00 42.11 H new ATOM 1023 N ASN A 77 -13.960 -10.631 -10.880 1.00 41.14 N ATOM 1024 CA ASN A 77 -14.889 -9.608 -10.416 1.00 13.42 C ATOM 1025 C ASN A 77 -14.288 -8.214 -10.573 1.00 63.42 C ATOM 1026 O ASN A 77 -13.559 -7.740 -9.701 1.00 63.15 O ATOM 1027 CB ASN A 77 -15.260 -9.853 -8.952 1.00 10.33 C ATOM 1028 CG ASN A 77 -15.395 -11.328 -8.629 1.00 31.32 C ATOM 1029 OD1 ASN A 77 -16.376 -11.970 -9.005 1.00 64.35 O ATOM 1030 ND2 ASN A 77 -14.408 -11.873 -7.927 1.00 42.03 N ATOM 0 H ASN A 77 -13.411 -11.069 -10.141 1.00 41.14 H new ATOM 0 HA ASN A 77 -15.789 -9.667 -11.028 1.00 13.42 H new ATOM 0 HB2 ASN A 77 -14.499 -9.411 -8.308 1.00 10.33 H new ATOM 0 HB3 ASN A 77 -16.199 -9.347 -8.729 1.00 10.33 H new ATOM 0 HD21 ASN A 77 -14.444 -12.862 -7.679 1.00 42.03 H new ATOM 0 HD22 ASN A 77 -13.614 -11.303 -7.636 1.00 42.03 H new ATOM 1037 N ILE A 78 -14.598 -7.565 -11.690 1.00 15.53 N ATOM 1038 CA ILE A 78 -14.090 -6.226 -11.960 1.00 51.53 C ATOM 1039 C ILE A 78 -15.133 -5.376 -12.679 1.00 60.53 C ATOM 1040 O ILE A 78 -15.135 -5.258 -13.905 1.00 12.43 O ATOM 1041 CB ILE A 78 -12.807 -6.272 -12.811 1.00 10.32 C ATOM 1042 CG1 ILE A 78 -11.806 -7.261 -12.210 1.00 73.23 C ATOM 1043 CG2 ILE A 78 -12.191 -4.885 -12.916 1.00 2.44 C ATOM 1044 CD1 ILE A 78 -10.521 -7.374 -12.999 1.00 45.21 C ATOM 0 H ILE A 78 -15.198 -7.945 -12.422 1.00 15.53 H new ATOM 0 HA ILE A 78 -13.861 -5.775 -10.994 1.00 51.53 H new ATOM 0 HB ILE A 78 -13.066 -6.610 -13.814 1.00 10.32 H new ATOM 0 HG12 ILE A 78 -11.571 -6.954 -11.191 1.00 73.23 H new ATOM 0 HG13 ILE A 78 -12.272 -8.244 -12.147 1.00 73.23 H new ATOM 0 HG21 ILE A 78 -11.285 -4.934 -13.520 1.00 2.44 H new ATOM 0 HG22 ILE A 78 -12.903 -4.205 -13.384 1.00 2.44 H new ATOM 0 HG23 ILE A 78 -11.943 -4.521 -11.919 1.00 2.44 H new ATOM 0 HD11 ILE A 78 -9.859 -8.092 -12.515 1.00 45.21 H new ATOM 0 HD12 ILE A 78 -10.744 -7.711 -14.011 1.00 45.21 H new ATOM 0 HD13 ILE A 78 -10.032 -6.400 -13.040 1.00 45.21 H new ATOM 1056 N PRO A 79 -16.041 -4.769 -11.901 1.00 22.55 N ATOM 1057 CA PRO A 79 -17.105 -3.918 -12.441 1.00 61.31 C ATOM 1058 C PRO A 79 -16.568 -2.607 -13.005 1.00 71.33 C ATOM 1059 O PRO A 79 -17.304 -1.840 -13.627 1.00 20.14 O ATOM 1060 CB PRO A 79 -17.998 -3.652 -11.226 1.00 45.04 C ATOM 1061 CG PRO A 79 -17.095 -3.807 -10.052 1.00 22.25 C ATOM 1062 CD PRO A 79 -16.098 -4.867 -10.432 1.00 51.13 C ATOM 0 HA PRO A 79 -17.625 -4.394 -13.273 1.00 61.31 H new ATOM 0 HB2 PRO A 79 -18.430 -2.652 -11.264 1.00 45.04 H new ATOM 0 HB3 PRO A 79 -18.828 -4.357 -11.183 1.00 45.04 H new ATOM 0 HG2 PRO A 79 -16.595 -2.867 -9.818 1.00 22.25 H new ATOM 0 HG3 PRO A 79 -17.656 -4.099 -9.164 1.00 22.25 H new ATOM 0 HD2 PRO A 79 -15.124 -4.684 -9.979 1.00 51.13 H new ATOM 0 HD3 PRO A 79 -16.420 -5.857 -10.107 1.00 51.13 H new ATOM 1070 N TYR A 80 -15.282 -2.357 -12.786 1.00 13.43 N ATOM 1071 CA TYR A 80 -14.648 -1.137 -13.271 1.00 4.11 C ATOM 1072 C TYR A 80 -14.356 -1.232 -14.765 1.00 63.04 C ATOM 1073 O TYR A 80 -13.656 -2.139 -15.217 1.00 50.34 O ATOM 1074 CB TYR A 80 -13.352 -0.871 -12.503 1.00 1.12 C ATOM 1075 CG TYR A 80 -13.565 -0.168 -11.181 1.00 21.51 C ATOM 1076 CD1 TYR A 80 -13.941 -0.879 -10.047 1.00 43.23 C ATOM 1077 CD2 TYR A 80 -13.391 1.205 -11.066 1.00 14.14 C ATOM 1078 CE1 TYR A 80 -14.137 -0.241 -8.837 1.00 71.35 C ATOM 1079 CE2 TYR A 80 -13.584 1.851 -9.860 1.00 32.34 C ATOM 1080 CZ TYR A 80 -13.957 1.123 -8.749 1.00 12.34 C ATOM 1081 OH TYR A 80 -14.152 1.763 -7.546 1.00 24.12 O ATOM 0 H TYR A 80 -14.658 -2.983 -12.276 1.00 13.43 H new ATOM 0 HA TYR A 80 -15.337 -0.309 -13.106 1.00 4.11 H new ATOM 0 HB2 TYR A 80 -12.845 -1.819 -12.323 1.00 1.12 H new ATOM 0 HB3 TYR A 80 -12.689 -0.268 -13.123 1.00 1.12 H new ATOM 0 HD1 TYR A 80 -14.082 -1.948 -10.113 1.00 43.23 H new ATOM 0 HD2 TYR A 80 -13.100 1.778 -11.934 1.00 14.14 H new ATOM 0 HE1 TYR A 80 -14.429 -0.808 -7.965 1.00 71.35 H new ATOM 0 HE2 TYR A 80 -13.444 2.919 -9.787 1.00 32.34 H new ATOM 0 HH TYR A 80 -13.983 2.722 -7.655 1.00 24.12 H new ATOM 1091 N LYS A 81 -14.897 -0.288 -15.528 1.00 60.53 N ATOM 1092 CA LYS A 81 -14.695 -0.262 -16.972 1.00 40.11 C ATOM 1093 C LYS A 81 -13.228 -0.020 -17.312 1.00 23.12 C ATOM 1094 O LYS A 81 -12.726 1.096 -17.176 1.00 44.13 O ATOM 1095 CB LYS A 81 -15.563 0.826 -17.609 1.00 61.53 C ATOM 1096 CG LYS A 81 -17.042 0.687 -17.291 1.00 43.54 C ATOM 1097 CD LYS A 81 -17.764 2.019 -17.411 1.00 34.23 C ATOM 1098 CE LYS A 81 -19.274 1.838 -17.382 1.00 34.22 C ATOM 1099 NZ LYS A 81 -19.799 1.772 -15.990 1.00 25.55 N ATOM 0 H LYS A 81 -15.479 0.469 -15.170 1.00 60.53 H new ATOM 0 HA LYS A 81 -14.987 -1.233 -17.372 1.00 40.11 H new ATOM 0 HB2 LYS A 81 -15.217 1.802 -17.268 1.00 61.53 H new ATOM 0 HB3 LYS A 81 -15.428 0.800 -18.690 1.00 61.53 H new ATOM 0 HG2 LYS A 81 -17.495 -0.036 -17.969 1.00 43.54 H new ATOM 0 HG3 LYS A 81 -17.163 0.296 -16.281 1.00 43.54 H new ATOM 0 HD2 LYS A 81 -17.459 2.674 -16.595 1.00 34.23 H new ATOM 0 HD3 LYS A 81 -17.473 2.510 -18.340 1.00 34.23 H new ATOM 0 HE2 LYS A 81 -19.749 2.665 -17.910 1.00 34.22 H new ATOM 0 HE3 LYS A 81 -19.540 0.925 -17.914 1.00 34.22 H new ATOM 0 HZ1 LYS A 81 -20.831 1.648 -16.014 1.00 25.55 H new ATOM 0 HZ2 LYS A 81 -19.365 0.968 -15.493 1.00 25.55 H new ATOM 0 HZ3 LYS A 81 -19.567 2.654 -15.489 1.00 25.55 H new ATOM 1113 N ILE A 82 -12.547 -1.072 -17.754 1.00 44.55 N ATOM 1114 CA ILE A 82 -11.138 -0.972 -18.116 1.00 10.41 C ATOM 1115 C ILE A 82 -10.898 0.189 -19.075 1.00 44.30 C ATOM 1116 O ILE A 82 -11.195 0.096 -20.266 1.00 30.22 O ATOM 1117 CB ILE A 82 -10.630 -2.273 -18.765 1.00 4.44 C ATOM 1118 CG1 ILE A 82 -10.433 -3.355 -17.702 1.00 31.35 C ATOM 1119 CG2 ILE A 82 -9.331 -2.018 -19.515 1.00 50.22 C ATOM 1120 CD1 ILE A 82 -9.237 -3.114 -16.807 1.00 71.33 C ATOM 0 H ILE A 82 -12.948 -2.003 -17.870 1.00 44.55 H new ATOM 0 HA ILE A 82 -10.586 -0.797 -17.192 1.00 10.41 H new ATOM 0 HB ILE A 82 -11.377 -2.622 -19.478 1.00 4.44 H new ATOM 0 HG12 ILE A 82 -11.331 -3.416 -17.087 1.00 31.35 H new ATOM 0 HG13 ILE A 82 -10.319 -4.320 -18.195 1.00 31.35 H new ATOM 0 HG21 ILE A 82 -8.984 -2.947 -19.968 1.00 50.22 H new ATOM 0 HG22 ILE A 82 -9.501 -1.275 -20.294 1.00 50.22 H new ATOM 0 HG23 ILE A 82 -8.576 -1.649 -18.820 1.00 50.22 H new ATOM 0 HD11 ILE A 82 -9.160 -3.921 -16.078 1.00 71.33 H new ATOM 0 HD12 ILE A 82 -8.331 -3.083 -17.412 1.00 71.33 H new ATOM 0 HD13 ILE A 82 -9.358 -2.164 -16.286 1.00 71.33 H new ATOM 1132 N SER A 83 -10.356 1.283 -18.548 1.00 65.41 N ATOM 1133 CA SER A 83 -10.076 2.463 -19.357 1.00 53.30 C ATOM 1134 C SER A 83 -8.712 3.050 -19.009 1.00 3.12 C ATOM 1135 O SER A 83 -8.520 3.610 -17.929 1.00 11.12 O ATOM 1136 CB SER A 83 -11.165 3.518 -19.151 1.00 33.12 C ATOM 1137 OG SER A 83 -10.773 4.768 -19.691 1.00 13.01 O ATOM 0 H SER A 83 -10.102 1.376 -17.564 1.00 65.41 H new ATOM 0 HA SER A 83 -10.065 2.161 -20.404 1.00 53.30 H new ATOM 0 HB2 SER A 83 -12.090 3.188 -19.624 1.00 33.12 H new ATOM 0 HB3 SER A 83 -11.373 3.627 -18.087 1.00 33.12 H new ATOM 0 HG SER A 83 -11.535 5.384 -19.678 1.00 13.01 H new ATOM 1143 N THR A 84 -7.764 2.918 -19.932 1.00 74.42 N ATOM 1144 CA THR A 84 -6.417 3.433 -19.724 1.00 70.42 C ATOM 1145 C THR A 84 -6.433 4.940 -19.498 1.00 54.01 C ATOM 1146 O THR A 84 -5.469 5.513 -18.991 1.00 4.32 O ATOM 1147 CB THR A 84 -5.503 3.115 -20.922 1.00 62.44 C ATOM 1148 OG1 THR A 84 -6.276 3.054 -22.126 1.00 72.20 O ATOM 1149 CG2 THR A 84 -4.776 1.795 -20.713 1.00 72.43 C ATOM 0 H THR A 84 -7.905 2.458 -20.832 1.00 74.42 H new ATOM 0 HA THR A 84 -6.024 2.939 -18.835 1.00 70.42 H new ATOM 0 HB THR A 84 -4.762 3.910 -21.006 1.00 62.44 H new ATOM 0 HG1 THR A 84 -5.687 2.853 -22.883 1.00 72.20 H new ATOM 0 HG21 THR A 84 -4.137 1.592 -21.572 1.00 72.43 H new ATOM 0 HG22 THR A 84 -4.165 1.855 -19.812 1.00 72.43 H new ATOM 0 HG23 THR A 84 -5.505 0.992 -20.605 1.00 72.43 H new ATOM 1157 N THR A 85 -7.536 5.579 -19.877 1.00 31.21 N ATOM 1158 CA THR A 85 -7.678 7.020 -19.716 1.00 1.31 C ATOM 1159 C THR A 85 -8.061 7.379 -18.284 1.00 63.45 C ATOM 1160 O THR A 85 -7.886 8.518 -17.850 1.00 71.31 O ATOM 1161 CB THR A 85 -8.738 7.591 -20.677 1.00 4.41 C ATOM 1162 OG1 THR A 85 -10.049 7.230 -20.231 1.00 33.43 O ATOM 1163 CG2 THR A 85 -8.518 7.078 -22.092 1.00 31.43 C ATOM 0 H THR A 85 -8.344 5.120 -20.298 1.00 31.21 H new ATOM 0 HA THR A 85 -6.709 7.461 -19.951 1.00 1.31 H new ATOM 0 HB THR A 85 -8.644 8.677 -20.683 1.00 4.41 H new ATOM 0 HG1 THR A 85 -10.062 6.281 -19.987 1.00 33.43 H new ATOM 0 HG21 THR A 85 -9.278 7.495 -22.752 1.00 31.43 H new ATOM 0 HG22 THR A 85 -7.530 7.381 -22.439 1.00 31.43 H new ATOM 0 HG23 THR A 85 -8.587 5.990 -22.100 1.00 31.43 H new ATOM 1171 N THR A 86 -8.583 6.399 -17.554 1.00 34.25 N ATOM 1172 CA THR A 86 -8.991 6.611 -16.171 1.00 14.14 C ATOM 1173 C THR A 86 -7.784 6.655 -15.242 1.00 4.04 C ATOM 1174 O THR A 86 -6.816 5.920 -15.432 1.00 4.12 O ATOM 1175 CB THR A 86 -9.953 5.506 -15.693 1.00 5.45 C ATOM 1176 OG1 THR A 86 -11.176 5.567 -16.434 1.00 11.01 O ATOM 1177 CG2 THR A 86 -10.246 5.650 -14.207 1.00 11.21 C ATOM 0 H THR A 86 -8.733 5.450 -17.897 1.00 34.25 H new ATOM 0 HA THR A 86 -9.507 7.571 -16.138 1.00 14.14 H new ATOM 0 HB THR A 86 -9.475 4.541 -15.861 1.00 5.45 H new ATOM 0 HG1 THR A 86 -11.781 4.861 -16.125 1.00 11.01 H new ATOM 0 HG21 THR A 86 -10.927 4.859 -13.892 1.00 11.21 H new ATOM 0 HG22 THR A 86 -9.316 5.574 -13.644 1.00 11.21 H new ATOM 0 HG23 THR A 86 -10.705 6.621 -14.019 1.00 11.21 H new ATOM 1185 N ASN A 87 -7.848 7.521 -14.236 1.00 2.34 N ATOM 1186 CA ASN A 87 -6.758 7.661 -13.276 1.00 73.42 C ATOM 1187 C ASN A 87 -6.890 6.638 -12.151 1.00 50.43 C ATOM 1188 O ASN A 87 -7.805 6.716 -11.331 1.00 72.21 O ATOM 1189 CB ASN A 87 -6.741 9.076 -12.695 1.00 24.20 C ATOM 1190 CG ASN A 87 -5.344 9.527 -12.315 1.00 3.23 C ATOM 1191 OD1 ASN A 87 -4.359 8.847 -12.604 1.00 52.23 O ATOM 1192 ND2 ASN A 87 -5.252 10.680 -11.662 1.00 42.11 N ATOM 0 H ASN A 87 -8.643 8.137 -14.064 1.00 2.34 H new ATOM 0 HA ASN A 87 -5.819 7.480 -13.800 1.00 73.42 H new ATOM 0 HB2 ASN A 87 -7.159 9.770 -13.424 1.00 24.20 H new ATOM 0 HB3 ASN A 87 -7.384 9.113 -11.815 1.00 24.20 H new ATOM 0 HD21 ASN A 87 -4.338 11.035 -11.379 1.00 42.11 H new ATOM 0 HD22 ASN A 87 -6.095 11.211 -11.443 1.00 42.11 H new ATOM 1199 N CYS A 88 -5.969 5.681 -12.119 1.00 32.14 N ATOM 1200 CA CYS A 88 -5.981 4.643 -11.095 1.00 61.31 C ATOM 1201 C CYS A 88 -5.667 5.229 -9.722 1.00 11.33 C ATOM 1202 O CYS A 88 -5.828 4.564 -8.700 1.00 33.32 O ATOM 1203 CB CYS A 88 -4.968 3.548 -11.438 1.00 14.12 C ATOM 1204 SG CYS A 88 -5.030 2.995 -13.172 1.00 44.24 S ATOM 0 H CYS A 88 -5.205 5.603 -12.790 1.00 32.14 H new ATOM 0 HA CYS A 88 -6.980 4.209 -11.065 1.00 61.31 H new ATOM 0 HB2 CYS A 88 -3.965 3.915 -11.220 1.00 14.12 H new ATOM 0 HB3 CYS A 88 -5.142 2.691 -10.788 1.00 14.12 H new ATOM 1209 N ASN A 89 -5.218 6.480 -9.707 1.00 54.22 N ATOM 1210 CA ASN A 89 -4.882 7.157 -8.460 1.00 24.01 C ATOM 1211 C ASN A 89 -6.142 7.606 -7.727 1.00 72.20 C ATOM 1212 O ASN A 89 -6.112 7.882 -6.527 1.00 61.22 O ATOM 1213 CB ASN A 89 -3.982 8.363 -8.737 1.00 13.42 C ATOM 1214 CG ASN A 89 -2.535 7.967 -8.959 1.00 14.12 C ATOM 1215 OD1 ASN A 89 -1.970 7.186 -8.193 1.00 44.34 O ATOM 1216 ND2 ASN A 89 -1.929 8.505 -10.011 1.00 14.54 N ATOM 0 H ASN A 89 -5.078 7.045 -10.544 1.00 54.22 H new ATOM 0 HA ASN A 89 -4.347 6.451 -7.825 1.00 24.01 H new ATOM 0 HB2 ASN A 89 -4.350 8.893 -9.616 1.00 13.42 H new ATOM 0 HB3 ASN A 89 -4.041 9.057 -7.899 1.00 13.42 H new ATOM 0 HD21 ASN A 89 -0.956 8.276 -10.211 1.00 14.54 H new ATOM 0 HD22 ASN A 89 -2.437 9.148 -10.619 1.00 14.54 H new ATOM 1223 N THR A 90 -7.251 7.676 -8.457 1.00 12.32 N ATOM 1224 CA THR A 90 -8.522 8.092 -7.877 1.00 73.35 C ATOM 1225 C THR A 90 -9.352 6.886 -7.451 1.00 54.31 C ATOM 1226 O THR A 90 -10.546 7.008 -7.177 1.00 33.24 O ATOM 1227 CB THR A 90 -9.341 8.940 -8.869 1.00 31.21 C ATOM 1228 OG1 THR A 90 -9.802 8.121 -9.950 1.00 4.41 O ATOM 1229 CG2 THR A 90 -8.507 10.089 -9.416 1.00 32.35 C ATOM 0 H THR A 90 -7.295 7.450 -9.451 1.00 12.32 H new ATOM 0 HA THR A 90 -8.288 8.697 -7.001 1.00 73.35 H new ATOM 0 HB THR A 90 -10.197 9.355 -8.337 1.00 31.21 H new ATOM 0 HG1 THR A 90 -9.036 7.686 -10.380 1.00 4.41 H new ATOM 0 HG21 THR A 90 -9.106 10.673 -10.114 1.00 32.35 H new ATOM 0 HG22 THR A 90 -8.183 10.727 -8.594 1.00 32.35 H new ATOM 0 HG23 THR A 90 -7.634 9.691 -9.933 1.00 32.35 H new ATOM 1237 N VAL A 91 -8.713 5.722 -7.397 1.00 3.41 N ATOM 1238 CA VAL A 91 -9.392 4.494 -7.002 1.00 11.32 C ATOM 1239 C VAL A 91 -9.246 4.243 -5.505 1.00 72.43 C ATOM 1240 O VAL A 91 -9.413 3.117 -5.034 1.00 40.33 O ATOM 1241 CB VAL A 91 -8.845 3.278 -7.772 1.00 21.44 C ATOM 1242 CG1 VAL A 91 -8.671 3.612 -9.245 1.00 75.14 C ATOM 1243 CG2 VAL A 91 -7.531 2.810 -7.164 1.00 41.32 C ATOM 0 H VAL A 91 -7.725 5.604 -7.622 1.00 3.41 H new ATOM 0 HA VAL A 91 -10.447 4.623 -7.244 1.00 11.32 H new ATOM 0 HB VAL A 91 -9.566 2.465 -7.692 1.00 21.44 H new ATOM 0 HG11 VAL A 91 -8.284 2.740 -9.772 1.00 75.14 H new ATOM 0 HG12 VAL A 91 -9.634 3.895 -9.670 1.00 75.14 H new ATOM 0 HG13 VAL A 91 -7.971 4.440 -9.350 1.00 75.14 H new ATOM 0 HG21 VAL A 91 -7.159 1.950 -7.720 1.00 41.32 H new ATOM 0 HG22 VAL A 91 -6.800 3.617 -7.212 1.00 41.32 H new ATOM 0 HG23 VAL A 91 -7.692 2.527 -6.124 1.00 41.32 H new ATOM 1253 N LYS A 92 -8.934 5.298 -4.761 1.00 51.21 N ATOM 1254 CA LYS A 92 -8.767 5.194 -3.316 1.00 71.14 C ATOM 1255 C LYS A 92 -10.114 5.004 -2.625 1.00 65.54 C ATOM 1256 O LYS A 92 -11.047 5.778 -2.838 1.00 62.23 O ATOM 1257 CB LYS A 92 -8.074 6.445 -2.771 1.00 32.31 C ATOM 1258 CG LYS A 92 -8.140 6.566 -1.258 1.00 60.43 C ATOM 1259 CD LYS A 92 -6.812 7.022 -0.677 1.00 73.11 C ATOM 1260 CE LYS A 92 -6.625 8.524 -0.827 1.00 60.12 C ATOM 1261 NZ LYS A 92 -5.962 8.874 -2.114 1.00 13.41 N ATOM 0 H LYS A 92 -8.791 6.236 -5.135 1.00 51.21 H new ATOM 0 HA LYS A 92 -8.146 4.323 -3.109 1.00 71.14 H new ATOM 0 HB2 LYS A 92 -7.029 6.436 -3.081 1.00 32.31 H new ATOM 0 HB3 LYS A 92 -8.531 7.328 -3.218 1.00 32.31 H new ATOM 0 HG2 LYS A 92 -8.921 7.274 -0.982 1.00 60.43 H new ATOM 0 HG3 LYS A 92 -8.416 5.604 -0.827 1.00 60.43 H new ATOM 0 HD2 LYS A 92 -6.763 6.752 0.378 1.00 73.11 H new ATOM 0 HD3 LYS A 92 -5.996 6.501 -1.178 1.00 73.11 H new ATOM 0 HE2 LYS A 92 -7.595 9.018 -0.772 1.00 60.12 H new ATOM 0 HE3 LYS A 92 -6.028 8.900 0.003 1.00 60.12 H new ATOM 0 HZ1 LYS A 92 -5.684 9.876 -2.100 1.00 13.41 H new ATOM 0 HZ2 LYS A 92 -5.116 8.282 -2.241 1.00 13.41 H new ATOM 0 HZ3 LYS A 92 -6.622 8.708 -2.901 1.00 13.41 H new ATOM 1275 N PHE A 93 -10.207 3.969 -1.796 1.00 42.31 N ATOM 1276 CA PHE A 93 -11.439 3.678 -1.073 1.00 73.11 C ATOM 1277 C PHE A 93 -11.943 4.915 -0.335 1.00 44.14 C ATOM 1278 O PHE A 93 -11.166 5.843 -0.114 1.00 23.43 O ATOM 1279 CB PHE A 93 -11.215 2.535 -0.081 1.00 74.42 C ATOM 1280 CG PHE A 93 -10.622 2.981 1.224 1.00 2.22 C ATOM 1281 CD1 PHE A 93 -11.222 2.641 2.426 1.00 64.41 C ATOM 1282 CD2 PHE A 93 -9.464 3.742 1.250 1.00 51.24 C ATOM 1283 CE1 PHE A 93 -10.678 3.050 3.629 1.00 63.40 C ATOM 1284 CE2 PHE A 93 -8.915 4.154 2.450 1.00 75.45 C ATOM 1285 CZ PHE A 93 -9.524 3.808 3.641 1.00 44.04 C ATOM 0 H PHE A 93 -9.444 3.318 -1.609 1.00 42.31 H new ATOM 0 HA PHE A 93 -12.194 3.378 -1.799 1.00 73.11 H new ATOM 0 HB2 PHE A 93 -12.167 2.040 0.112 1.00 74.42 H new ATOM 0 HB3 PHE A 93 -10.557 1.794 -0.535 1.00 74.42 H new ATOM 0 HD1 PHE A 93 -12.126 2.049 2.423 1.00 64.41 H new ATOM 0 HD2 PHE A 93 -8.985 4.016 0.322 1.00 51.24 H new ATOM 0 HE1 PHE A 93 -11.155 2.777 4.559 1.00 63.40 H new ATOM 0 HE2 PHE A 93 -8.011 4.745 2.457 1.00 75.45 H new ATOM 0 HZ PHE A 93 -9.098 4.130 4.580 1.00 44.04 H new TER 1295 PHE A 93 HETATM 1296 C1 PGM A 101 9.608 -3.297 -23.573 1.00 14.34 C HETATM 1297 O1 PGM A 101 10.423 -4.012 -24.505 1.00 12.50 O HETATM 1298 C2 PGM A 101 10.325 -2.043 -23.046 1.00 35.41 C HETATM 1299 O2 PGM A 101 10.169 -1.011 -24.016 1.00 2.22 O HETATM 1300 C3 PGM A 101 9.541 -1.599 -21.812 1.00 13.43 C HETATM 1301 O4 PGM A 101 9.800 -2.409 -20.657 1.00 73.31 O HETATM 1302 P5 PGM A 101 8.929 -1.962 -19.372 1.00 24.32 P HETATM 1303 O5A PGM A 101 8.339 -0.610 -19.313 1.00 20.31 O HETATM 1304 O5B PGM A 101 9.642 -2.371 -18.149 1.00 43.14 O HETATM 1305 O6 PGM A 101 7.603 -2.873 -19.479 1.00 62.34 O HETATM 1306 C7 PGM A 101 7.893 -4.262 -19.566 1.00 50.31 C HETATM 1307 C8 PGM A 101 6.741 -5.186 -19.961 1.00 23.44 C HETATM 1308 O8 PGM A 101 6.247 -4.976 -21.292 1.00 41.42 O HETATM 1309 C9 PGM A 101 5.608 -4.970 -18.961 1.00 12.32 C HETATM 1310 OQ1 PGM A 101 3.462 -3.402 -19.254 1.00 23.42 O HETATM 1311 OQ2 PGM A 101 4.379 -5.450 -19.531 1.00 14.23 O HETATM 1312 CA PGM A 101 3.326 -4.574 -19.563 1.00 54.22 C HETATM 1313 CB PGM A 101 1.952 -5.037 -20.051 1.00 60.33 C HETATM 1314 CC PGM A 101 0.855 -3.991 -19.786 1.00 52.31 C HETATM 1315 CD PGM A 101 -0.443 -4.789 -19.653 1.00 34.00 C HETATM 1316 CE PGM A 101 -1.509 -4.035 -18.842 1.00 20.12 C HETATM 1317 CF PGM A 101 -2.506 -3.252 -19.690 1.00 0.30 C HETATM 1318 CG PGM A 101 -3.758 -2.717 -18.983 1.00 74.35 C HETATM 1319 CH PGM A 101 -3.572 -1.322 -18.391 1.00 64.33 C HETATM 1320 CI PGM A 101 -4.955 -0.927 -17.854 1.00 70.24 C HETATM 1321 CJ PGM A 101 -5.153 -1.428 -16.425 1.00 11.40 C HETATM 1322 CK PGM A 101 -5.770 -2.825 -16.369 1.00 42.12 C HETATM 1323 CL PGM A 101 -6.552 -2.980 -15.063 1.00 60.23 C HETATM 1324 CM PGM A 101 -5.490 -3.398 -14.043 1.00 21.32 C HETATM 1325 CN PGM A 101 -6.246 -4.273 -13.053 1.00 31.04 C HETATM 1326 CO PGM A 101 -5.247 -4.641 -11.945 1.00 15.22 C HETATM 1327 CP PGM A 101 -4.397 -5.901 -12.106 1.00 21.53 C HETATM 0 HCP3 PGM A 101 -5.048 -6.771 -12.188 1.00 21.53 H new HETATM 0 HCP2 PGM A 101 -3.789 -5.817 -13.007 1.00 21.53 H new HETATM 0 HCP1 PGM A 101 -3.747 -6.015 -11.238 1.00 21.53 H new HETATM 0 HCO2 PGM A 101 -4.567 -3.798 -11.821 1.00 15.22 H new HETATM 0 HCO1 PGM A 101 -5.807 -4.738 -11.015 1.00 15.22 H new HETATM 0 HCN2 PGM A 101 -7.104 -3.741 -12.641 1.00 31.04 H new HETATM 0 HCN1 PGM A 101 -6.631 -5.168 -13.541 1.00 31.04 H new HETATM 0 HCM2 PGM A 101 -4.676 -3.946 -14.518 1.00 21.32 H new HETATM 0 HCM1 PGM A 101 -5.047 -2.532 -13.551 1.00 21.32 H new HETATM 0 HCL2 PGM A 101 -7.037 -2.047 -14.775 1.00 60.23 H new HETATM 0 HCL1 PGM A 101 -7.336 -3.732 -15.154 1.00 60.23 H new HETATM 0 HCK2 PGM A 101 -6.431 -2.978 -17.222 1.00 42.12 H new HETATM 0 HCK1 PGM A 101 -4.989 -3.583 -16.431 1.00 42.12 H new HETATM 0 HCJ2 PGM A 101 -4.191 -1.439 -15.912 1.00 11.40 H new HETATM 0 HCJ1 PGM A 101 -5.794 -0.731 -15.886 1.00 11.40 H new HETATM 0 HCI2 PGM A 101 -5.063 0.157 -17.881 1.00 70.24 H new HETATM 0 HCI1 PGM A 101 -5.731 -1.341 -18.499 1.00 70.24 H new HETATM 0 HCH2 PGM A 101 -2.827 -1.328 -17.595 1.00 64.33 H new HETATM 0 HCH1 PGM A 101 -3.226 -0.616 -19.146 1.00 64.33 H new HETATM 0 HCG2 PGM A 101 -4.585 -2.695 -19.693 1.00 74.35 H new HETATM 0 HCG1 PGM A 101 -4.039 -3.407 -18.187 1.00 74.35 H new HETATM 0 HCF2 PGM A 101 -1.981 -2.406 -20.134 1.00 0.30 H new HETATM 0 HCF1 PGM A 101 -2.829 -3.893 -20.510 1.00 0.30 H new HETATM 0 HCE2 PGM A 101 -2.056 -4.751 -18.228 1.00 20.12 H new HETATM 0 HCE1 PGM A 101 -1.010 -3.346 -18.160 1.00 20.12 H new HETATM 0 HCD2 PGM A 101 -0.834 -5.011 -20.646 1.00 34.00 H new HETATM 0 HCD1 PGM A 101 -0.232 -5.744 -19.173 1.00 34.00 H new HETATM 0 HCC2 PGM A 101 1.063 -3.425 -18.878 1.00 52.31 H new HETATM 0 HCC1 PGM A 101 0.792 -3.272 -20.603 1.00 52.31 H new HETATM 0 HCB2 PGM A 101 2.000 -5.247 -21.120 1.00 60.33 H new HETATM 0 HCB1 PGM A 101 1.688 -5.971 -19.554 1.00 60.33 H new HETATM 0 HC92 PGM A 101 5.822 -5.497 -18.031 1.00 12.32 H new HETATM 0 HC91 PGM A 101 5.520 -3.912 -18.715 1.00 12.32 H new HETATM 0 HC72 PGM A 101 8.698 -4.396 -20.289 1.00 50.31 H new HETATM 0 HC71 PGM A 101 8.275 -4.590 -18.599 1.00 50.31 H new HETATM 0 HC32 PGM A 101 9.790 -0.563 -21.584 1.00 13.43 H new HETATM 0 HC31 PGM A 101 8.475 -1.628 -22.037 1.00 13.43 H new HETATM 0 HC12 PGM A 101 8.672 -3.008 -24.052 1.00 14.34 H new HETATM 0 HC11 PGM A 101 9.351 -3.949 -22.738 1.00 14.34 H new HETATM 0 HO8 PGM A 101 5.280 -5.131 -21.310 1.00 41.42 H new HETATM 0 HO2 PGM A 101 10.617 -0.197 -23.703 1.00 2.22 H new HETATM 0 HO1 PGM A 101 9.941 -4.804 -24.821 1.00 12.50 H new HETATM 0 HC8 PGM A 101 7.122 -6.207 -19.945 1.00 23.44 H new HETATM 0 HC2 PGM A 101 11.377 -2.236 -22.837 1.00 35.41 H new