USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= -3.54! C(o=-3.6!,f=-5.2!) USER MOD Set 1.2: A 67 GLN :FLIP amide:sc= -0.0239 F(o=-4.9!,f=-3.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= -0.104 (180deg=-0.836) USER MOD Single : A 2 LYS NZ :NH3+ -121:sc= -0.8 (180deg=-2.49!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 97:sc= 0.762 USER MOD Single : A 16 THR OG1 : rot -76:sc= 0.691 USER MOD Single : A 21 SER OG : rot 74:sc= 1.05 USER MOD Single : A 22 SER OG : rot 68:sc= 1.22 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.71 USER MOD Single : A 37 SER OG : rot -103:sc= 0.91 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= -0.75 (180deg=-0.99) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -30:sc= -0.718 USER MOD Single : A 73 THR OG1 : rot 110:sc= -0.738 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -12.1! C(o=-12!,f=-18!) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0535) USER MOD Single : A 81 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.217) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.552 -0.858 -2.530 1.00 0.00 N ATOM 2 CA MET A 1 -7.214 -0.227 -2.342 1.00 0.00 C ATOM 3 C MET A 1 -6.154 -1.083 -3.026 1.00 0.00 C ATOM 4 O MET A 1 -5.981 -2.255 -2.693 1.00 0.00 O ATOM 5 CB MET A 1 -6.911 -0.125 -0.846 1.00 0.00 C ATOM 6 CG MET A 1 -7.937 0.788 -0.173 1.00 0.00 C ATOM 7 SD MET A 1 -7.681 2.500 -0.721 1.00 0.00 S ATOM 8 CE MET A 1 -7.561 3.272 0.913 1.00 0.00 C ATOM 0 H1 MET A 1 -9.241 -0.133 -2.816 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.491 -1.588 -3.268 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.859 -1.293 -1.637 1.00 0.00 H new ATOM 0 HA MET A 1 -7.210 0.771 -2.780 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.938 -1.115 -0.391 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.906 0.268 -0.695 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.947 0.463 -0.422 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.840 0.724 0.911 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.400 4.344 0.798 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.485 3.101 1.465 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.725 2.836 1.461 1.00 0.00 H new ATOM 20 N LYS A 2 -5.445 -0.490 -3.987 1.00 0.00 N ATOM 21 CA LYS A 2 -4.396 -1.202 -4.719 1.00 0.00 C ATOM 22 C LYS A 2 -3.019 -0.836 -4.175 1.00 0.00 C ATOM 23 O LYS A 2 -2.023 -0.897 -4.894 1.00 0.00 O ATOM 24 CB LYS A 2 -4.471 -0.862 -6.211 1.00 0.00 C ATOM 25 CG LYS A 2 -4.211 0.636 -6.427 1.00 0.00 C ATOM 26 CD LYS A 2 -4.317 0.968 -7.923 1.00 0.00 C ATOM 27 CE LYS A 2 -3.269 0.172 -8.725 1.00 0.00 C ATOM 28 NZ LYS A 2 -3.870 -1.109 -9.187 1.00 0.00 N ATOM 0 H LYS A 2 -5.577 0.479 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.551 -2.273 -4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.737 -1.449 -6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.452 -1.129 -6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.933 1.226 -5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.221 0.901 -6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.318 0.731 -8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.167 2.037 -8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.928 0.756 -9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.394 -0.026 -8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.319 -1.907 -8.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.851 -1.175 -8.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.861 -1.142 -10.226 1.00 0.00 H new ATOM 42 N ASP A 3 -2.971 -0.448 -2.899 1.00 0.00 N ATOM 43 CA ASP A 3 -1.709 -0.065 -2.260 1.00 0.00 C ATOM 44 C ASP A 3 -1.567 -0.748 -0.901 1.00 0.00 C ATOM 45 O ASP A 3 -1.575 -0.087 0.138 1.00 0.00 O ATOM 46 CB ASP A 3 -1.660 1.453 -2.077 1.00 0.00 C ATOM 47 CG ASP A 3 -1.818 2.143 -3.428 1.00 0.00 C ATOM 48 OD1 ASP A 3 -0.847 2.180 -4.167 1.00 0.00 O ATOM 49 OD2 ASP A 3 -2.905 2.620 -3.706 1.00 0.00 O ATOM 0 H ASP A 3 -3.787 -0.391 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.886 -0.382 -2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.453 1.772 -1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.714 1.743 -1.619 1.00 0.00 H new ATOM 54 N PRO A 4 -1.439 -2.049 -0.893 1.00 0.00 N ATOM 55 CA PRO A 4 -1.290 -2.836 0.363 1.00 0.00 C ATOM 56 C PRO A 4 0.111 -2.702 0.955 1.00 0.00 C ATOM 57 O PRO A 4 0.390 -3.204 2.044 1.00 0.00 O ATOM 58 CB PRO A 4 -1.589 -4.278 -0.072 1.00 0.00 C ATOM 59 CG PRO A 4 -1.220 -4.335 -1.524 1.00 0.00 C ATOM 60 CD PRO A 4 -1.422 -2.919 -2.087 1.00 0.00 C ATOM 0 HA PRO A 4 -1.956 -2.490 1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.008 -4.993 0.510 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.640 -4.524 0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -0.186 -4.657 -1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.844 -5.055 -2.054 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.617 -2.643 -2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.354 -2.843 -2.647 1.00 0.00 H new ATOM 68 N LYS A 5 0.982 -2.020 0.231 1.00 0.00 N ATOM 69 CA LYS A 5 2.348 -1.818 0.685 1.00 0.00 C ATOM 70 C LYS A 5 2.385 -0.945 1.936 1.00 0.00 C ATOM 71 O LYS A 5 3.444 -0.744 2.528 1.00 0.00 O ATOM 72 CB LYS A 5 3.189 -1.167 -0.425 1.00 0.00 C ATOM 73 CG LYS A 5 4.691 -1.119 -0.012 1.00 0.00 C ATOM 74 CD LYS A 5 5.132 0.328 0.253 1.00 0.00 C ATOM 75 CE LYS A 5 6.601 0.343 0.679 1.00 0.00 C ATOM 76 NZ LYS A 5 7.092 1.749 0.715 1.00 0.00 N ATOM 0 H LYS A 5 0.768 -1.597 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 5 2.768 -2.794 0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.078 -1.730 -1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.827 -0.158 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.847 -1.722 0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.305 -1.553 -0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.996 0.931 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.512 0.772 1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.711 -0.117 1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.199 -0.245 -0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.091 1.761 1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.001 2.173 -0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.528 2.296 1.396 1.00 0.00 H new ATOM 90 N THR A 6 1.224 -0.420 2.342 1.00 0.00 N ATOM 91 CA THR A 6 1.146 0.437 3.532 1.00 0.00 C ATOM 92 C THR A 6 -0.056 0.060 4.403 1.00 0.00 C ATOM 93 O THR A 6 0.085 -0.144 5.608 1.00 0.00 O ATOM 94 CB THR A 6 1.031 1.913 3.106 1.00 0.00 C ATOM 95 OG1 THR A 6 0.238 2.621 4.050 1.00 0.00 O ATOM 96 CG2 THR A 6 0.376 2.005 1.725 1.00 0.00 C ATOM 0 H THR A 6 0.333 -0.571 1.870 1.00 0.00 H new ATOM 0 HA THR A 6 2.055 0.292 4.116 1.00 0.00 H new ATOM 0 HB THR A 6 2.028 2.351 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.167 3.560 3.779 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.297 3.051 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.983 1.467 0.998 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.620 1.563 1.764 1.00 0.00 H new ATOM 104 N LEU A 7 -1.241 -0.018 3.796 1.00 0.00 N ATOM 105 CA LEU A 7 -2.450 -0.351 4.552 1.00 0.00 C ATOM 106 C LEU A 7 -2.308 -1.708 5.240 1.00 0.00 C ATOM 107 O LEU A 7 -2.486 -1.816 6.451 1.00 0.00 O ATOM 108 CB LEU A 7 -3.654 -0.380 3.599 1.00 0.00 C ATOM 109 CG LEU A 7 -4.949 -0.716 4.363 1.00 0.00 C ATOM 110 CD1 LEU A 7 -5.255 0.379 5.399 1.00 0.00 C ATOM 111 CD2 LEU A 7 -6.108 -0.820 3.363 1.00 0.00 C ATOM 0 H LEU A 7 -1.390 0.142 2.800 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.600 0.408 5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.757 0.587 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.486 -1.120 2.816 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.824 -1.665 4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.173 0.129 5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.431 0.449 6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.379 1.336 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.028 -1.058 3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.225 0.130 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.895 -1.607 2.639 1.00 0.00 H new ATOM 123 N LEU A 8 -1.976 -2.736 4.473 1.00 0.00 N ATOM 124 CA LEU A 8 -1.804 -4.073 5.037 1.00 0.00 C ATOM 125 C LEU A 8 -0.596 -4.105 5.972 1.00 0.00 C ATOM 126 O LEU A 8 -0.605 -4.804 6.985 1.00 0.00 O ATOM 127 CB LEU A 8 -1.650 -5.112 3.909 1.00 0.00 C ATOM 128 CG LEU A 8 -3.036 -5.607 3.443 1.00 0.00 C ATOM 129 CD1 LEU A 8 -3.711 -6.476 4.535 1.00 0.00 C ATOM 130 CD2 LEU A 8 -3.928 -4.400 3.107 1.00 0.00 C ATOM 0 H LEU A 8 -1.821 -2.675 3.467 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.691 -4.325 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.113 -4.670 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.055 -5.955 4.260 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.903 -6.222 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.686 -6.812 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.085 -7.342 4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.838 -5.886 5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.906 -4.751 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.045 -3.776 3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.466 -3.816 2.311 1.00 0.00 H new ATOM 142 N ARG A 9 0.438 -3.348 5.629 1.00 0.00 N ATOM 143 CA ARG A 9 1.643 -3.306 6.450 1.00 0.00 C ATOM 144 C ARG A 9 1.333 -2.761 7.842 1.00 0.00 C ATOM 145 O ARG A 9 2.084 -2.997 8.790 1.00 0.00 O ATOM 146 CB ARG A 9 2.705 -2.437 5.774 1.00 0.00 C ATOM 147 CG ARG A 9 3.996 -2.471 6.593 1.00 0.00 C ATOM 148 CD ARG A 9 5.093 -1.711 5.847 1.00 0.00 C ATOM 149 NE ARG A 9 6.336 -1.733 6.615 1.00 0.00 N ATOM 150 CZ ARG A 9 6.654 -0.763 7.468 1.00 0.00 C ATOM 151 NH1 ARG A 9 5.846 0.248 7.638 1.00 0.00 N ATOM 152 NH2 ARG A 9 7.774 -0.822 8.135 1.00 0.00 N ATOM 0 H ARG A 9 0.468 -2.760 4.796 1.00 0.00 H new ATOM 0 HA ARG A 9 2.023 -4.322 6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.895 -2.798 4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.347 -1.412 5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.830 -2.023 7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.304 -3.503 6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.255 -2.161 4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.780 -0.681 5.677 1.00 0.00 H new ATOM 0 HE ARG A 9 6.979 -2.515 6.493 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.970 0.294 7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.090 0.992 8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.406 -1.612 8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.018 -0.078 8.789 1.00 0.00 H new ATOM 166 N VAL A 10 0.218 -2.045 7.970 1.00 0.00 N ATOM 167 CA VAL A 10 -0.180 -1.485 9.260 1.00 0.00 C ATOM 168 C VAL A 10 0.045 -2.498 10.389 1.00 0.00 C ATOM 169 O VAL A 10 0.276 -2.113 11.535 1.00 0.00 O ATOM 170 CB VAL A 10 -1.667 -1.079 9.222 1.00 0.00 C ATOM 171 CG1 VAL A 10 -2.186 -0.826 10.649 1.00 0.00 C ATOM 172 CG2 VAL A 10 -1.824 0.203 8.396 1.00 0.00 C ATOM 0 H VAL A 10 -0.422 -1.840 7.203 1.00 0.00 H new ATOM 0 HA VAL A 10 0.434 -0.606 9.453 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.242 -1.887 8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.237 -0.540 10.609 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.080 -1.735 11.241 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.609 -0.024 11.109 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.875 0.491 8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.240 1.003 8.851 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.469 0.027 7.381 1.00 0.00 H new ATOM 182 N SER A 11 -0.044 -3.783 10.069 1.00 0.00 N ATOM 183 CA SER A 11 0.130 -4.820 11.084 1.00 0.00 C ATOM 184 C SER A 11 1.537 -4.803 11.694 1.00 0.00 C ATOM 185 O SER A 11 1.693 -4.851 12.913 1.00 0.00 O ATOM 186 CB SER A 11 -0.130 -6.192 10.464 1.00 0.00 C ATOM 187 OG SER A 11 0.026 -7.196 11.458 1.00 0.00 O ATOM 0 H SER A 11 -0.233 -4.131 9.129 1.00 0.00 H new ATOM 0 HA SER A 11 -0.584 -4.618 11.883 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.137 -6.230 10.047 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.563 -6.369 9.641 1.00 0.00 H new ATOM 0 HG SER A 11 -0.142 -8.077 11.062 1.00 0.00 H new ATOM 193 N ILE A 12 2.554 -4.757 10.838 1.00 0.00 N ATOM 194 CA ILE A 12 3.942 -4.772 11.309 1.00 0.00 C ATOM 195 C ILE A 12 4.247 -3.562 12.191 1.00 0.00 C ATOM 196 O ILE A 12 4.725 -3.712 13.315 1.00 0.00 O ATOM 197 CB ILE A 12 4.885 -4.768 10.106 1.00 0.00 C ATOM 198 CG1 ILE A 12 4.489 -5.890 9.135 1.00 0.00 C ATOM 199 CG2 ILE A 12 6.330 -4.967 10.568 1.00 0.00 C ATOM 200 CD1 ILE A 12 4.458 -7.247 9.852 1.00 0.00 C ATOM 0 H ILE A 12 2.449 -4.709 9.825 1.00 0.00 H new ATOM 0 HA ILE A 12 4.088 -5.673 11.904 1.00 0.00 H new ATOM 0 HB ILE A 12 4.807 -3.807 9.598 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.509 -5.678 8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.197 -5.927 8.307 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.993 -4.962 9.703 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.610 -4.159 11.244 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.418 -5.921 11.087 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.175 -8.026 9.144 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.445 -7.467 10.258 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.731 -7.213 10.664 1.00 0.00 H new ATOM 212 N ILE A 13 3.975 -2.368 11.684 1.00 0.00 N ATOM 213 CA ILE A 13 4.241 -1.155 12.452 1.00 0.00 C ATOM 214 C ILE A 13 3.391 -1.123 13.717 1.00 0.00 C ATOM 215 O ILE A 13 3.855 -0.701 14.773 1.00 0.00 O ATOM 216 CB ILE A 13 3.965 0.085 11.601 1.00 0.00 C ATOM 217 CG1 ILE A 13 2.496 0.075 11.180 1.00 0.00 C ATOM 218 CG2 ILE A 13 4.863 0.075 10.355 1.00 0.00 C ATOM 219 CD1 ILE A 13 2.222 1.201 10.173 1.00 0.00 C ATOM 0 H ILE A 13 3.576 -2.211 10.758 1.00 0.00 H new ATOM 0 HA ILE A 13 5.292 -1.156 12.741 1.00 0.00 H new ATOM 0 HB ILE A 13 4.179 0.984 12.179 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.245 -0.888 10.736 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.859 0.198 12.056 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.661 0.961 9.754 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.909 0.075 10.661 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.657 -0.818 9.765 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.172 1.181 9.882 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.454 2.163 10.631 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.846 1.059 9.290 1.00 0.00 H new ATOM 231 N GLY A 14 2.147 -1.572 13.610 1.00 0.00 N ATOM 232 CA GLY A 14 1.256 -1.592 14.765 1.00 0.00 C ATOM 233 C GLY A 14 1.714 -2.644 15.771 1.00 0.00 C ATOM 234 O GLY A 14 1.476 -2.521 16.972 1.00 0.00 O ATOM 0 H GLY A 14 1.735 -1.924 12.746 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.241 -0.610 15.238 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.237 -1.807 14.443 1.00 0.00 H new ATOM 238 N THR A 15 2.366 -3.682 15.258 1.00 0.00 N ATOM 239 CA THR A 15 2.860 -4.771 16.095 1.00 0.00 C ATOM 240 C THR A 15 4.119 -4.364 16.860 1.00 0.00 C ATOM 241 O THR A 15 4.481 -5.003 17.849 1.00 0.00 O ATOM 242 CB THR A 15 3.155 -6.003 15.234 1.00 0.00 C ATOM 243 OG1 THR A 15 1.951 -6.457 14.634 1.00 0.00 O ATOM 244 CG2 THR A 15 3.741 -7.112 16.109 1.00 0.00 C ATOM 0 H THR A 15 2.565 -3.793 14.264 1.00 0.00 H new ATOM 0 HA THR A 15 2.084 -5.009 16.822 1.00 0.00 H new ATOM 0 HB THR A 15 3.873 -5.740 14.457 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.888 -6.106 13.721 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.950 -7.988 15.495 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.665 -6.762 16.569 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.026 -7.377 16.888 1.00 0.00 H new ATOM 252 N THR A 16 4.779 -3.299 16.416 1.00 0.00 N ATOM 253 CA THR A 16 5.985 -2.832 17.096 1.00 0.00 C ATOM 254 C THR A 16 5.619 -2.119 18.395 1.00 0.00 C ATOM 255 O THR A 16 6.366 -2.168 19.370 1.00 0.00 O ATOM 256 CB THR A 16 6.782 -1.889 16.185 1.00 0.00 C ATOM 257 OG1 THR A 16 5.961 -0.796 15.803 1.00 0.00 O ATOM 258 CG2 THR A 16 7.254 -2.639 14.925 1.00 0.00 C ATOM 0 H THR A 16 4.506 -2.749 15.601 1.00 0.00 H new ATOM 0 HA THR A 16 6.605 -3.697 17.332 1.00 0.00 H new ATOM 0 HB THR A 16 7.654 -1.524 16.728 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.326 -1.088 15.117 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.818 -1.959 14.287 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.890 -3.475 15.216 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.388 -3.014 14.379 1.00 0.00 H new ATOM 266 N LEU A 17 4.463 -1.458 18.400 1.00 0.00 N ATOM 267 CA LEU A 17 4.007 -0.740 19.588 1.00 0.00 C ATOM 268 C LEU A 17 3.793 -1.712 20.744 1.00 0.00 C ATOM 269 O LEU A 17 4.152 -1.421 21.884 1.00 0.00 O ATOM 270 CB LEU A 17 2.693 0.004 19.283 1.00 0.00 C ATOM 271 CG LEU A 17 2.992 1.361 18.620 1.00 0.00 C ATOM 272 CD1 LEU A 17 3.659 2.329 19.629 1.00 0.00 C ATOM 273 CD2 LEU A 17 3.912 1.143 17.409 1.00 0.00 C ATOM 0 H LEU A 17 3.830 -1.405 17.602 1.00 0.00 H new ATOM 0 HA LEU A 17 4.771 -0.016 19.872 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.068 -0.601 18.625 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.131 0.157 20.204 1.00 0.00 H new ATOM 0 HG LEU A 17 2.054 1.808 18.290 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.862 3.282 19.140 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.991 2.490 20.475 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.595 1.897 19.984 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.126 2.102 16.937 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.845 0.685 17.738 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.419 0.487 16.691 1.00 0.00 H new ATOM 285 N VAL A 18 3.209 -2.860 20.440 1.00 0.00 N ATOM 286 CA VAL A 18 2.954 -3.865 21.462 1.00 0.00 C ATOM 287 C VAL A 18 4.275 -4.417 21.995 1.00 0.00 C ATOM 288 O VAL A 18 4.431 -4.635 23.197 1.00 0.00 O ATOM 289 CB VAL A 18 2.111 -5.005 20.888 1.00 0.00 C ATOM 290 CG1 VAL A 18 1.805 -6.015 21.995 1.00 0.00 C ATOM 291 CG2 VAL A 18 0.807 -4.435 20.326 1.00 0.00 C ATOM 0 H VAL A 18 2.904 -3.119 19.502 1.00 0.00 H new ATOM 0 HA VAL A 18 2.405 -3.398 22.280 1.00 0.00 H new ATOM 0 HB VAL A 18 2.658 -5.505 20.089 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.204 -6.829 21.589 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.739 -6.415 22.390 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.254 -5.522 22.796 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.203 -5.244 19.916 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.254 -3.938 21.123 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.034 -3.716 19.538 1.00 0.00 H new ATOM 301 N ALA A 19 5.213 -4.657 21.081 1.00 0.00 N ATOM 302 CA ALA A 19 6.516 -5.200 21.450 1.00 0.00 C ATOM 303 C ALA A 19 7.221 -4.315 22.477 1.00 0.00 C ATOM 304 O ALA A 19 7.500 -4.742 23.596 1.00 0.00 O ATOM 305 CB ALA A 19 7.395 -5.313 20.202 1.00 0.00 C ATOM 0 H ALA A 19 5.095 -4.484 20.083 1.00 0.00 H new ATOM 0 HA ALA A 19 6.356 -6.183 21.894 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.368 -5.719 20.478 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.918 -5.975 19.479 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.526 -4.326 19.759 1.00 0.00 H new ATOM 311 N LEU A 20 7.509 -3.077 22.079 1.00 0.00 N ATOM 312 CA LEU A 20 8.190 -2.126 22.958 1.00 0.00 C ATOM 313 C LEU A 20 7.338 -1.771 24.174 1.00 0.00 C ATOM 314 O LEU A 20 7.869 -1.574 25.266 1.00 0.00 O ATOM 315 CB LEU A 20 8.572 -0.850 22.187 1.00 0.00 C ATOM 316 CG LEU A 20 7.329 -0.224 21.498 1.00 0.00 C ATOM 317 CD1 LEU A 20 6.763 0.922 22.348 1.00 0.00 C ATOM 318 CD2 LEU A 20 7.725 0.338 20.122 1.00 0.00 C ATOM 0 H LEU A 20 7.282 -2.709 21.155 1.00 0.00 H new ATOM 0 HA LEU A 20 9.099 -2.609 23.316 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.016 -0.127 22.871 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.328 -1.086 21.438 1.00 0.00 H new ATOM 0 HG LEU A 20 6.573 -1.001 21.385 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.893 1.349 21.850 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.470 0.540 23.326 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.524 1.693 22.473 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.850 0.776 19.642 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.491 1.103 20.248 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.115 -0.467 19.499 1.00 0.00 H new ATOM 330 N SER A 21 6.023 -1.680 23.992 1.00 0.00 N ATOM 331 CA SER A 21 5.136 -1.338 25.099 1.00 0.00 C ATOM 332 C SER A 21 5.251 -2.374 26.211 1.00 0.00 C ATOM 333 O SER A 21 5.083 -2.062 27.389 1.00 0.00 O ATOM 334 CB SER A 21 3.691 -1.267 24.605 1.00 0.00 C ATOM 335 OG SER A 21 3.532 -0.100 23.808 1.00 0.00 O ATOM 0 H SER A 21 5.553 -1.836 23.100 1.00 0.00 H new ATOM 0 HA SER A 21 5.430 -0.365 25.494 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.448 -2.156 24.024 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.004 -1.242 25.451 1.00 0.00 H new ATOM 0 HG SER A 21 3.967 -0.235 22.940 1.00 0.00 H new ATOM 341 N SER A 22 5.529 -3.613 25.819 1.00 0.00 N ATOM 342 CA SER A 22 5.651 -4.709 26.779 1.00 0.00 C ATOM 343 C SER A 22 6.611 -4.350 27.916 1.00 0.00 C ATOM 344 O SER A 22 6.787 -5.125 28.855 1.00 0.00 O ATOM 345 CB SER A 22 6.134 -5.980 26.081 1.00 0.00 C ATOM 346 OG SER A 22 5.212 -6.331 25.057 1.00 0.00 O ATOM 0 H SER A 22 5.674 -3.885 24.847 1.00 0.00 H new ATOM 0 HA SER A 22 4.663 -4.884 27.205 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.125 -5.821 25.656 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.223 -6.793 26.801 1.00 0.00 H new ATOM 0 HG SER A 22 5.250 -5.664 24.340 1.00 0.00 H new ATOM 352 N PHE A 23 7.220 -3.166 27.833 1.00 0.00 N ATOM 353 CA PHE A 23 8.146 -2.705 28.871 1.00 0.00 C ATOM 354 C PHE A 23 7.403 -1.885 29.938 1.00 0.00 C ATOM 355 O PHE A 23 7.814 -1.855 31.097 1.00 0.00 O ATOM 356 CB PHE A 23 9.261 -1.848 28.229 1.00 0.00 C ATOM 357 CG PHE A 23 10.399 -2.733 27.743 1.00 0.00 C ATOM 358 CD1 PHE A 23 10.122 -3.960 27.130 1.00 0.00 C ATOM 359 CD2 PHE A 23 11.725 -2.321 27.918 1.00 0.00 C ATOM 360 CE1 PHE A 23 11.171 -4.776 26.691 1.00 0.00 C ATOM 361 CE2 PHE A 23 12.776 -3.137 27.480 1.00 0.00 C ATOM 362 CZ PHE A 23 12.498 -4.365 26.866 1.00 0.00 C ATOM 0 H PHE A 23 7.090 -2.511 27.062 1.00 0.00 H new ATOM 0 HA PHE A 23 8.590 -3.575 29.354 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.854 -1.277 27.394 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.637 -1.127 28.955 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.098 -4.277 26.996 1.00 0.00 H new ATOM 0 HD2 PHE A 23 11.938 -1.374 28.391 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.957 -5.723 26.217 1.00 0.00 H new ATOM 0 HE2 PHE A 23 13.799 -2.820 27.616 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.307 -4.995 26.528 1.00 0.00 H new ATOM 372 N THR A 24 6.323 -1.208 29.544 1.00 0.00 N ATOM 373 CA THR A 24 5.567 -0.381 30.490 1.00 0.00 C ATOM 374 C THR A 24 4.964 -1.242 31.619 1.00 0.00 C ATOM 375 O THR A 24 5.101 -0.916 32.797 1.00 0.00 O ATOM 376 CB THR A 24 4.452 0.399 29.738 1.00 0.00 C ATOM 377 OG1 THR A 24 4.495 0.051 28.362 1.00 0.00 O ATOM 378 CG2 THR A 24 4.650 1.916 29.873 1.00 0.00 C ATOM 0 H THR A 24 5.955 -1.214 28.593 1.00 0.00 H new ATOM 0 HA THR A 24 6.250 0.334 30.948 1.00 0.00 H new ATOM 0 HB THR A 24 3.489 0.134 30.175 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.794 0.537 27.880 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.856 2.436 29.337 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.620 2.195 30.926 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.615 2.196 29.451 1.00 0.00 H new ATOM 386 N PRO A 25 4.304 -2.325 31.274 1.00 0.00 N ATOM 387 CA PRO A 25 3.665 -3.245 32.269 1.00 0.00 C ATOM 388 C PRO A 25 4.642 -3.739 33.336 1.00 0.00 C ATOM 389 O PRO A 25 4.228 -4.103 34.435 1.00 0.00 O ATOM 390 CB PRO A 25 3.158 -4.428 31.418 1.00 0.00 C ATOM 391 CG PRO A 25 3.016 -3.888 30.035 1.00 0.00 C ATOM 392 CD PRO A 25 4.077 -2.799 29.896 1.00 0.00 C ATOM 0 HA PRO A 25 2.876 -2.736 32.823 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.861 -5.261 31.444 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.206 -4.802 31.793 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.163 -4.673 29.293 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.017 -3.482 29.876 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.993 -3.192 29.456 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.734 -1.991 29.250 1.00 0.00 H new ATOM 400 N VAL A 26 5.929 -3.767 33.010 1.00 0.00 N ATOM 401 CA VAL A 26 6.930 -4.232 33.963 1.00 0.00 C ATOM 402 C VAL A 26 7.129 -3.196 35.072 1.00 0.00 C ATOM 403 O VAL A 26 7.134 -3.523 36.258 1.00 0.00 O ATOM 404 CB VAL A 26 8.254 -4.474 33.231 1.00 0.00 C ATOM 405 CG1 VAL A 26 9.269 -5.115 34.181 1.00 0.00 C ATOM 406 CG2 VAL A 26 8.010 -5.406 32.042 1.00 0.00 C ATOM 0 H VAL A 26 6.301 -3.477 32.105 1.00 0.00 H new ATOM 0 HA VAL A 26 6.588 -5.163 34.415 1.00 0.00 H new ATOM 0 HB VAL A 26 8.649 -3.521 32.879 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.207 -5.283 33.652 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.444 -4.451 35.028 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.880 -6.067 34.541 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.950 -5.581 31.518 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.612 -6.355 32.400 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.295 -4.946 31.360 1.00 0.00 H new ATOM 416 N LEU A 27 7.323 -1.947 34.655 1.00 0.00 N ATOM 417 CA LEU A 27 7.551 -0.854 35.600 1.00 0.00 C ATOM 418 C LEU A 27 6.228 -0.318 36.154 1.00 0.00 C ATOM 419 O LEU A 27 6.059 -0.165 37.362 1.00 0.00 O ATOM 420 CB LEU A 27 8.298 0.288 34.905 1.00 0.00 C ATOM 421 CG LEU A 27 9.724 -0.155 34.538 1.00 0.00 C ATOM 422 CD1 LEU A 27 10.391 0.942 33.700 1.00 0.00 C ATOM 423 CD2 LEU A 27 10.556 -0.416 35.814 1.00 0.00 C ATOM 0 H LEU A 27 7.327 -1.666 33.674 1.00 0.00 H new ATOM 0 HA LEU A 27 8.146 -1.244 36.426 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.761 0.590 34.006 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.337 1.158 35.560 1.00 0.00 H new ATOM 0 HG LEU A 27 9.673 -1.080 33.964 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.403 0.634 33.436 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.813 1.107 32.790 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.432 1.866 34.277 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.562 -0.729 35.535 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.611 0.498 36.406 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.082 -1.202 36.403 1.00 0.00 H new ATOM 435 N VAL A 28 5.298 -0.052 35.245 1.00 0.00 N ATOM 436 CA VAL A 28 3.990 0.472 35.635 1.00 0.00 C ATOM 437 C VAL A 28 3.424 -0.339 36.798 1.00 0.00 C ATOM 438 O VAL A 28 3.023 0.219 37.819 1.00 0.00 O ATOM 439 CB VAL A 28 3.020 0.423 34.446 1.00 0.00 C ATOM 440 CG1 VAL A 28 1.614 0.834 34.910 1.00 0.00 C ATOM 441 CG2 VAL A 28 3.501 1.384 33.349 1.00 0.00 C ATOM 0 H VAL A 28 5.421 -0.188 34.242 1.00 0.00 H new ATOM 0 HA VAL A 28 4.111 1.509 35.949 1.00 0.00 H new ATOM 0 HB VAL A 28 2.987 -0.592 34.049 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.927 0.799 34.065 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.272 0.148 35.685 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.645 1.847 35.310 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.811 1.348 32.506 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.538 2.399 33.745 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.496 1.088 33.017 1.00 0.00 H new ATOM 451 N ILE A 29 3.399 -1.654 36.641 1.00 0.00 N ATOM 452 CA ILE A 29 2.882 -2.525 37.691 1.00 0.00 C ATOM 453 C ILE A 29 3.776 -2.465 38.930 1.00 0.00 C ATOM 454 O ILE A 29 3.286 -2.479 40.056 1.00 0.00 O ATOM 455 CB ILE A 29 2.794 -3.972 37.176 1.00 0.00 C ATOM 456 CG1 ILE A 29 1.960 -4.824 38.146 1.00 0.00 C ATOM 457 CG2 ILE A 29 4.201 -4.568 37.065 1.00 0.00 C ATOM 458 CD1 ILE A 29 1.587 -6.149 37.472 1.00 0.00 C ATOM 0 H ILE A 29 3.727 -2.140 35.806 1.00 0.00 H new ATOM 0 HA ILE A 29 1.885 -2.181 37.967 1.00 0.00 H new ATOM 0 HB ILE A 29 2.319 -3.969 36.195 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.526 -5.014 39.058 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.058 -4.285 38.437 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.134 -5.593 36.700 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.794 -3.973 36.370 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.677 -4.562 38.046 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.996 -6.753 38.160 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.005 -5.948 36.573 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.495 -6.689 37.204 1.00 0.00 H new ATOM 470 N LEU A 30 5.089 -2.407 38.709 1.00 0.00 N ATOM 471 CA LEU A 30 6.049 -2.364 39.814 1.00 0.00 C ATOM 472 C LEU A 30 5.808 -1.143 40.707 1.00 0.00 C ATOM 473 O LEU A 30 5.889 -1.235 41.931 1.00 0.00 O ATOM 474 CB LEU A 30 7.480 -2.317 39.262 1.00 0.00 C ATOM 475 CG LEU A 30 8.498 -2.451 40.408 1.00 0.00 C ATOM 476 CD1 LEU A 30 8.407 -3.851 41.049 1.00 0.00 C ATOM 477 CD2 LEU A 30 9.908 -2.222 39.852 1.00 0.00 C ATOM 0 H LEU A 30 5.511 -2.389 37.781 1.00 0.00 H new ATOM 0 HA LEU A 30 5.914 -3.264 40.413 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.626 -3.121 38.541 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.642 -1.379 38.730 1.00 0.00 H new ATOM 0 HG LEU A 30 8.277 -1.708 41.174 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.134 -3.929 41.858 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.404 -4.005 41.447 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.619 -4.610 40.296 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.636 -2.315 40.658 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.121 -2.964 39.083 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.971 -1.223 39.420 1.00 0.00 H new ATOM 489 N LEU A 31 5.510 -0.002 40.097 1.00 0.00 N ATOM 490 CA LEU A 31 5.252 1.213 40.866 1.00 0.00 C ATOM 491 C LEU A 31 3.987 1.058 41.718 1.00 0.00 C ATOM 492 O LEU A 31 3.920 1.561 42.840 1.00 0.00 O ATOM 493 CB LEU A 31 5.122 2.430 39.919 1.00 0.00 C ATOM 494 CG LEU A 31 6.496 3.078 39.681 1.00 0.00 C ATOM 495 CD1 LEU A 31 7.416 2.109 38.941 1.00 0.00 C ATOM 496 CD2 LEU A 31 6.320 4.347 38.845 1.00 0.00 C ATOM 0 H LEU A 31 5.441 0.109 39.085 1.00 0.00 H new ATOM 0 HA LEU A 31 6.095 1.381 41.536 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.693 2.114 38.968 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.438 3.162 40.350 1.00 0.00 H new ATOM 0 HG LEU A 31 6.942 3.327 40.644 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.386 2.580 38.779 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.547 1.205 39.536 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.973 1.849 37.979 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.293 4.808 38.675 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.867 4.092 37.887 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.675 5.046 39.377 1.00 0.00 H new ATOM 508 N GLY A 32 2.980 0.382 41.173 1.00 0.00 N ATOM 509 CA GLY A 32 1.723 0.193 41.894 1.00 0.00 C ATOM 510 C GLY A 32 1.886 -0.733 43.103 1.00 0.00 C ATOM 511 O GLY A 32 1.657 -0.327 44.242 1.00 0.00 O ATOM 0 H GLY A 32 3.007 -0.040 40.245 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.348 1.161 42.227 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.976 -0.223 41.217 1.00 0.00 H new ATOM 515 N VAL A 33 2.264 -1.982 42.841 1.00 0.00 N ATOM 516 CA VAL A 33 2.427 -2.963 43.917 1.00 0.00 C ATOM 517 C VAL A 33 3.136 -2.341 45.120 1.00 0.00 C ATOM 518 O VAL A 33 2.864 -2.699 46.264 1.00 0.00 O ATOM 519 CB VAL A 33 3.230 -4.169 43.423 1.00 0.00 C ATOM 520 CG1 VAL A 33 2.424 -4.919 42.361 1.00 0.00 C ATOM 521 CG2 VAL A 33 4.545 -3.689 42.819 1.00 0.00 C ATOM 0 H VAL A 33 2.462 -2.338 41.906 1.00 0.00 H new ATOM 0 HA VAL A 33 1.433 -3.290 44.223 1.00 0.00 H new ATOM 0 HB VAL A 33 3.436 -4.836 44.260 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.996 -5.778 42.009 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.484 -5.262 42.793 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.217 -4.253 41.523 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.118 -4.547 42.467 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.339 -3.022 41.982 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.120 -3.155 43.576 1.00 0.00 H new ATOM 531 N VAL A 34 4.042 -1.405 44.848 1.00 0.00 N ATOM 532 CA VAL A 34 4.780 -0.732 45.914 1.00 0.00 C ATOM 533 C VAL A 34 3.828 0.060 46.810 1.00 0.00 C ATOM 534 O VAL A 34 3.933 0.012 48.035 1.00 0.00 O ATOM 535 CB VAL A 34 5.839 0.204 45.301 1.00 0.00 C ATOM 536 CG1 VAL A 34 6.396 1.158 46.379 1.00 0.00 C ATOM 537 CG2 VAL A 34 6.987 -0.633 44.706 1.00 0.00 C ATOM 0 H VAL A 34 4.282 -1.097 43.906 1.00 0.00 H new ATOM 0 HA VAL A 34 5.278 -1.484 46.526 1.00 0.00 H new ATOM 0 HB VAL A 34 5.374 0.796 44.513 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.143 1.814 45.933 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.584 1.759 46.788 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.855 0.576 47.178 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.735 0.031 44.273 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.446 -1.232 45.492 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.594 -1.291 43.931 1.00 0.00 H new ATOM 547 N GLY A 35 2.905 0.795 46.198 1.00 0.00 N ATOM 548 CA GLY A 35 1.956 1.593 46.965 1.00 0.00 C ATOM 549 C GLY A 35 1.197 0.722 47.960 1.00 0.00 C ATOM 550 O GLY A 35 0.754 1.198 49.006 1.00 0.00 O ATOM 0 H GLY A 35 2.794 0.855 45.186 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.485 2.384 47.497 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.252 2.079 46.289 1.00 0.00 H new ATOM 554 N LEU A 36 1.048 -0.554 47.625 1.00 0.00 N ATOM 555 CA LEU A 36 0.337 -1.488 48.490 1.00 0.00 C ATOM 556 C LEU A 36 1.039 -1.605 49.852 1.00 0.00 C ATOM 557 O LEU A 36 0.409 -1.918 50.862 1.00 0.00 O ATOM 558 CB LEU A 36 0.221 -2.870 47.768 1.00 0.00 C ATOM 559 CG LEU A 36 1.110 -3.958 48.424 1.00 0.00 C ATOM 560 CD1 LEU A 36 0.482 -4.455 49.754 1.00 0.00 C ATOM 561 CD2 LEU A 36 1.276 -5.134 47.446 1.00 0.00 C ATOM 0 H LEU A 36 1.409 -0.965 46.764 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.670 -1.118 48.685 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.819 -3.198 47.782 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.505 -2.755 46.722 1.00 0.00 H new ATOM 0 HG LEU A 36 2.086 -3.529 48.651 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.123 -5.218 50.196 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.384 -3.618 50.445 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.502 -4.879 49.556 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.900 -5.902 47.903 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.298 -5.554 47.212 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.748 -4.781 46.529 1.00 0.00 H new ATOM 573 N SER A 37 2.348 -1.373 49.861 1.00 0.00 N ATOM 574 CA SER A 37 3.133 -1.481 51.088 1.00 0.00 C ATOM 575 C SER A 37 2.639 -0.512 52.158 1.00 0.00 C ATOM 576 O SER A 37 2.722 -0.798 53.347 1.00 0.00 O ATOM 577 CB SER A 37 4.602 -1.190 50.781 1.00 0.00 C ATOM 578 OG SER A 37 4.721 0.131 50.269 1.00 0.00 O ATOM 0 H SER A 37 2.887 -1.110 49.036 1.00 0.00 H new ATOM 0 HA SER A 37 3.021 -2.495 51.471 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.203 -1.298 51.684 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.984 -1.909 50.056 1.00 0.00 H new ATOM 0 HG SER A 37 4.835 0.096 49.296 1.00 0.00 H new ATOM 584 N ALA A 38 2.138 0.639 51.732 1.00 0.00 N ATOM 585 CA ALA A 38 1.655 1.640 52.680 1.00 0.00 C ATOM 586 C ALA A 38 0.775 0.987 53.747 1.00 0.00 C ATOM 587 O ALA A 38 0.866 1.311 54.931 1.00 0.00 O ATOM 588 CB ALA A 38 0.856 2.719 51.946 1.00 0.00 C ATOM 0 H ALA A 38 2.055 0.903 50.750 1.00 0.00 H new ATOM 0 HA ALA A 38 2.517 2.098 53.165 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.501 3.460 52.663 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.494 3.205 51.208 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.003 2.262 51.444 1.00 0.00 H new ATOM 594 N LEU A 39 -0.091 0.084 53.307 1.00 0.00 N ATOM 595 CA LEU A 39 -1.006 -0.591 54.225 1.00 0.00 C ATOM 596 C LEU A 39 -0.228 -1.344 55.308 1.00 0.00 C ATOM 597 O LEU A 39 -0.529 -1.220 56.496 1.00 0.00 O ATOM 598 CB LEU A 39 -1.878 -1.583 53.454 1.00 0.00 C ATOM 599 CG LEU A 39 -2.503 -0.887 52.243 1.00 0.00 C ATOM 600 CD1 LEU A 39 -3.363 -1.891 51.469 1.00 0.00 C ATOM 601 CD2 LEU A 39 -3.372 0.296 52.704 1.00 0.00 C ATOM 0 H LEU A 39 -0.181 -0.198 52.331 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.634 0.164 54.698 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.278 -2.432 53.128 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.660 -1.976 54.104 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.711 -0.510 51.596 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.810 -1.398 50.606 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.740 -2.720 51.132 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.152 -2.271 52.118 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.812 0.785 51.835 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.166 -0.068 53.356 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.755 1.011 53.248 1.00 0.00 H new ATOM 613 N THR A 40 0.771 -2.117 54.895 1.00 0.00 N ATOM 614 CA THR A 40 1.584 -2.877 55.850 1.00 0.00 C ATOM 615 C THR A 40 2.672 -1.994 56.470 1.00 0.00 C ATOM 616 O THR A 40 2.849 -1.981 57.687 1.00 0.00 O ATOM 617 CB THR A 40 2.221 -4.082 55.147 1.00 0.00 C ATOM 618 OG1 THR A 40 1.197 -4.922 54.633 1.00 0.00 O ATOM 619 CG2 THR A 40 3.075 -4.879 56.137 1.00 0.00 C ATOM 0 H THR A 40 1.039 -2.236 53.918 1.00 0.00 H new ATOM 0 HA THR A 40 0.935 -3.228 56.652 1.00 0.00 H new ATOM 0 HB THR A 40 2.854 -3.725 54.334 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.601 -5.692 54.182 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.522 -5.732 55.627 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.863 -4.240 56.534 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.448 -5.233 56.955 1.00 0.00 H new ATOM 627 N GLY A 41 3.393 -1.259 55.630 1.00 0.00 N ATOM 628 CA GLY A 41 4.463 -0.376 56.107 1.00 0.00 C ATOM 629 C GLY A 41 5.805 -1.104 56.143 1.00 0.00 C ATOM 630 O GLY A 41 6.661 -0.815 56.979 1.00 0.00 O ATOM 0 H GLY A 41 3.260 -1.254 54.619 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.536 0.495 55.456 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.218 -0.009 57.104 1.00 0.00 H new ATOM 634 N TYR A 42 5.977 -2.051 55.218 1.00 0.00 N ATOM 635 CA TYR A 42 7.216 -2.840 55.121 1.00 0.00 C ATOM 636 C TYR A 42 7.891 -2.639 53.753 1.00 0.00 C ATOM 637 O TYR A 42 8.204 -3.596 53.045 1.00 0.00 O ATOM 638 CB TYR A 42 6.918 -4.341 55.382 1.00 0.00 C ATOM 639 CG TYR A 42 6.458 -5.038 54.104 1.00 0.00 C ATOM 640 CD1 TYR A 42 5.483 -4.441 53.296 1.00 0.00 C ATOM 641 CD2 TYR A 42 7.039 -6.252 53.721 1.00 0.00 C ATOM 642 CE1 TYR A 42 5.092 -5.059 52.101 1.00 0.00 C ATOM 643 CE2 TYR A 42 6.647 -6.869 52.528 1.00 0.00 C ATOM 644 CZ TYR A 42 5.673 -6.274 51.718 1.00 0.00 C ATOM 645 OH TYR A 42 5.287 -6.883 50.542 1.00 0.00 O ATOM 0 H TYR A 42 5.273 -2.294 54.521 1.00 0.00 H new ATOM 0 HA TYR A 42 7.910 -2.490 55.885 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.812 -4.831 55.766 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.149 -4.435 56.149 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.033 -3.505 53.593 1.00 0.00 H new ATOM 0 HD2 TYR A 42 7.790 -6.713 54.346 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.342 -4.598 51.475 1.00 0.00 H new ATOM 0 HE2 TYR A 42 7.096 -7.805 52.232 1.00 0.00 H new ATOM 0 HH TYR A 42 5.788 -7.717 50.426 1.00 0.00 H new ATOM 655 N LEU A 43 8.149 -1.383 53.402 1.00 0.00 N ATOM 656 CA LEU A 43 8.818 -1.079 52.144 1.00 0.00 C ATOM 657 C LEU A 43 10.284 -1.495 52.224 1.00 0.00 C ATOM 658 O LEU A 43 11.081 -1.181 51.340 1.00 0.00 O ATOM 659 CB LEU A 43 8.729 0.426 51.843 1.00 0.00 C ATOM 660 CG LEU A 43 9.196 0.717 50.379 1.00 0.00 C ATOM 661 CD1 LEU A 43 8.059 1.348 49.565 1.00 0.00 C ATOM 662 CD2 LEU A 43 10.392 1.683 50.379 1.00 0.00 C ATOM 0 H LEU A 43 7.908 -0.568 53.965 1.00 0.00 H new ATOM 0 HA LEU A 43 8.325 -1.632 51.344 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.704 0.771 51.980 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.349 0.982 52.547 1.00 0.00 H new ATOM 0 HG LEU A 43 9.487 -0.232 49.928 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.403 1.543 48.549 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.210 0.665 49.535 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.754 2.285 50.031 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.705 1.875 49.353 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.102 2.621 50.852 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.219 1.238 50.933 1.00 0.00 H new ATOM 674 N ASP A 44 10.627 -2.215 53.287 1.00 0.00 N ATOM 675 CA ASP A 44 11.996 -2.683 53.468 1.00 0.00 C ATOM 676 C ASP A 44 12.293 -3.822 52.500 1.00 0.00 C ATOM 677 O ASP A 44 13.384 -3.900 51.933 1.00 0.00 O ATOM 678 CB ASP A 44 12.210 -3.159 54.907 1.00 0.00 C ATOM 679 CG ASP A 44 11.839 -2.050 55.884 1.00 0.00 C ATOM 680 OD1 ASP A 44 11.929 -0.894 55.503 1.00 0.00 O ATOM 681 OD2 ASP A 44 11.464 -2.372 57.000 1.00 0.00 O ATOM 0 H ASP A 44 9.982 -2.485 54.030 1.00 0.00 H new ATOM 0 HA ASP A 44 12.675 -1.855 53.265 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.603 -4.043 55.100 1.00 0.00 H new ATOM 0 HB3 ASP A 44 13.251 -3.449 55.052 1.00 0.00 H new ATOM 686 N TYR A 45 11.311 -4.706 52.314 1.00 0.00 N ATOM 687 CA TYR A 45 11.462 -5.849 51.412 1.00 0.00 C ATOM 688 C TYR A 45 10.772 -5.577 50.075 1.00 0.00 C ATOM 689 O TYR A 45 10.172 -6.473 49.480 1.00 0.00 O ATOM 690 CB TYR A 45 10.870 -7.110 52.061 1.00 0.00 C ATOM 691 CG TYR A 45 11.848 -7.681 53.065 1.00 0.00 C ATOM 692 CD1 TYR A 45 12.935 -8.439 52.614 1.00 0.00 C ATOM 693 CD2 TYR A 45 11.666 -7.463 54.436 1.00 0.00 C ATOM 694 CE1 TYR A 45 13.841 -8.979 53.535 1.00 0.00 C ATOM 695 CE2 TYR A 45 12.572 -8.004 55.356 1.00 0.00 C ATOM 696 CZ TYR A 45 13.660 -8.761 54.905 1.00 0.00 C ATOM 697 OH TYR A 45 14.552 -9.293 55.814 1.00 0.00 O ATOM 0 H TYR A 45 10.403 -4.652 52.776 1.00 0.00 H new ATOM 0 HA TYR A 45 12.525 -6.005 51.227 1.00 0.00 H new ATOM 0 HB2 TYR A 45 9.929 -6.868 52.555 1.00 0.00 H new ATOM 0 HB3 TYR A 45 10.646 -7.853 51.295 1.00 0.00 H new ATOM 0 HD1 TYR A 45 13.075 -8.607 51.556 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.827 -6.878 54.784 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.680 -9.564 53.188 1.00 0.00 H new ATOM 0 HE2 TYR A 45 12.432 -7.837 56.414 1.00 0.00 H new ATOM 0 HH TYR A 45 14.280 -9.046 56.722 1.00 0.00 H new ATOM 707 N VAL A 46 10.870 -4.334 49.602 1.00 0.00 N ATOM 708 CA VAL A 46 10.266 -3.952 48.323 1.00 0.00 C ATOM 709 C VAL A 46 11.197 -3.013 47.561 1.00 0.00 C ATOM 710 O VAL A 46 11.045 -2.811 46.356 1.00 0.00 O ATOM 711 CB VAL A 46 8.908 -3.275 48.550 1.00 0.00 C ATOM 712 CG1 VAL A 46 8.110 -3.273 47.244 1.00 0.00 C ATOM 713 CG2 VAL A 46 8.122 -4.047 49.616 1.00 0.00 C ATOM 0 H VAL A 46 11.359 -3.578 50.081 1.00 0.00 H new ATOM 0 HA VAL A 46 10.110 -4.854 47.732 1.00 0.00 H new ATOM 0 HB VAL A 46 9.070 -2.250 48.882 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.146 -2.792 47.408 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.663 -2.727 46.480 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.952 -4.299 46.913 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.157 -3.565 49.777 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.964 -5.072 49.281 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.685 -4.053 50.550 1.00 0.00 H new ATOM 723 N LEU A 47 12.173 -2.452 48.273 1.00 0.00 N ATOM 724 CA LEU A 47 13.139 -1.541 47.661 1.00 0.00 C ATOM 725 C LEU A 47 14.295 -2.310 47.014 1.00 0.00 C ATOM 726 O LEU A 47 14.641 -2.060 45.859 1.00 0.00 O ATOM 727 CB LEU A 47 13.685 -0.577 48.723 1.00 0.00 C ATOM 728 CG LEU A 47 14.629 0.458 48.083 1.00 0.00 C ATOM 729 CD1 LEU A 47 13.845 1.405 47.158 1.00 0.00 C ATOM 730 CD2 LEU A 47 15.313 1.263 49.193 1.00 0.00 C ATOM 0 H LEU A 47 12.316 -2.611 49.270 1.00 0.00 H new ATOM 0 HA LEU A 47 12.629 -0.977 46.880 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.859 -0.066 49.217 1.00 0.00 H new ATOM 0 HB3 LEU A 47 14.218 -1.138 49.491 1.00 0.00 H new ATOM 0 HG LEU A 47 15.378 -0.062 47.486 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.529 2.129 46.715 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.366 0.827 46.367 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.084 1.930 47.735 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.984 1.999 48.749 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.558 1.774 49.790 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.885 0.590 49.831 1.00 0.00 H new ATOM 742 N LEU A 48 14.900 -3.237 47.757 1.00 0.00 N ATOM 743 CA LEU A 48 16.026 -4.004 47.221 1.00 0.00 C ATOM 744 C LEU A 48 15.566 -4.951 46.106 1.00 0.00 C ATOM 745 O LEU A 48 16.192 -5.024 45.050 1.00 0.00 O ATOM 746 CB LEU A 48 16.731 -4.796 48.361 1.00 0.00 C ATOM 747 CG LEU A 48 18.254 -4.589 48.320 1.00 0.00 C ATOM 748 CD1 LEU A 48 18.882 -5.227 49.560 1.00 0.00 C ATOM 749 CD2 LEU A 48 18.825 -5.257 47.066 1.00 0.00 C ATOM 0 H LEU A 48 14.636 -3.473 48.714 1.00 0.00 H new ATOM 0 HA LEU A 48 16.742 -3.304 46.790 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.343 -4.472 49.327 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.503 -5.858 48.265 1.00 0.00 H new ATOM 0 HG LEU A 48 18.477 -3.522 48.300 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.962 -5.083 49.536 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.474 -4.760 50.456 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.658 -6.294 49.573 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.905 -5.111 47.036 1.00 0.00 H new ATOM 0 HD22 LEU A 48 18.604 -6.324 47.089 1.00 0.00 H new ATOM 0 HD23 LEU A 48 18.374 -4.812 46.179 1.00 0.00 H new ATOM 761 N PRO A 49 14.492 -5.673 46.322 1.00 0.00 N ATOM 762 CA PRO A 49 13.954 -6.634 45.309 1.00 0.00 C ATOM 763 C PRO A 49 13.695 -5.961 43.960 1.00 0.00 C ATOM 764 O PRO A 49 13.892 -6.565 42.905 1.00 0.00 O ATOM 765 CB PRO A 49 12.638 -7.136 45.937 1.00 0.00 C ATOM 766 CG PRO A 49 12.798 -6.911 47.404 1.00 0.00 C ATOM 767 CD PRO A 49 13.665 -5.661 47.543 1.00 0.00 C ATOM 0 HA PRO A 49 14.658 -7.438 45.094 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.780 -6.589 45.545 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.472 -8.190 45.715 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.830 -6.771 47.886 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.270 -7.769 47.882 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.058 -4.758 47.607 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.279 -5.697 48.443 1.00 0.00 H new ATOM 775 N ALA A 50 13.241 -4.713 44.007 1.00 0.00 N ATOM 776 CA ALA A 50 12.941 -3.971 42.789 1.00 0.00 C ATOM 777 C ALA A 50 14.139 -3.985 41.840 1.00 0.00 C ATOM 778 O ALA A 50 13.977 -3.947 40.621 1.00 0.00 O ATOM 779 CB ALA A 50 12.557 -2.523 43.138 1.00 0.00 C ATOM 0 H ALA A 50 13.074 -4.197 44.871 1.00 0.00 H new ATOM 0 HA ALA A 50 12.101 -4.451 42.288 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.334 -1.975 42.223 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.678 -2.525 43.783 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.386 -2.042 43.656 1.00 0.00 H new ATOM 785 N LEU A 51 15.337 -4.036 42.411 1.00 0.00 N ATOM 786 CA LEU A 51 16.562 -4.046 41.620 1.00 0.00 C ATOM 787 C LEU A 51 16.552 -5.184 40.601 1.00 0.00 C ATOM 788 O LEU A 51 17.166 -5.079 39.538 1.00 0.00 O ATOM 789 CB LEU A 51 17.777 -4.211 42.544 1.00 0.00 C ATOM 790 CG LEU A 51 19.098 -3.940 41.759 1.00 0.00 C ATOM 791 CD1 LEU A 51 19.726 -2.611 42.203 1.00 0.00 C ATOM 792 CD2 LEU A 51 20.108 -5.073 42.010 1.00 0.00 C ATOM 0 H LEU A 51 15.486 -4.071 43.419 1.00 0.00 H new ATOM 0 HA LEU A 51 16.624 -3.098 41.085 1.00 0.00 H new ATOM 0 HB2 LEU A 51 17.698 -3.522 43.385 1.00 0.00 H new ATOM 0 HB3 LEU A 51 17.793 -5.219 42.958 1.00 0.00 H new ATOM 0 HG LEU A 51 18.855 -3.890 40.698 1.00 0.00 H new ATOM 0 HD11 LEU A 51 20.646 -2.439 41.645 1.00 0.00 H new ATOM 0 HD12 LEU A 51 19.028 -1.796 42.011 1.00 0.00 H new ATOM 0 HD13 LEU A 51 19.951 -2.653 43.269 1.00 0.00 H new ATOM 0 HD21 LEU A 51 21.025 -4.872 41.457 1.00 0.00 H new ATOM 0 HD22 LEU A 51 20.332 -5.131 43.075 1.00 0.00 H new ATOM 0 HD23 LEU A 51 19.683 -6.020 41.676 1.00 0.00 H new ATOM 804 N ALA A 52 15.862 -6.271 40.927 1.00 0.00 N ATOM 805 CA ALA A 52 15.795 -7.417 40.025 1.00 0.00 C ATOM 806 C ALA A 52 15.151 -7.021 38.697 1.00 0.00 C ATOM 807 O ALA A 52 15.608 -7.427 37.629 1.00 0.00 O ATOM 808 CB ALA A 52 14.989 -8.543 40.675 1.00 0.00 C ATOM 0 H ALA A 52 15.346 -6.384 41.799 1.00 0.00 H new ATOM 0 HA ALA A 52 16.810 -7.763 39.830 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.943 -9.395 39.997 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.470 -8.845 41.605 1.00 0.00 H new ATOM 0 HB3 ALA A 52 13.979 -8.192 40.887 1.00 0.00 H new ATOM 814 N ILE A 53 14.094 -6.218 38.773 1.00 0.00 N ATOM 815 CA ILE A 53 13.405 -5.761 37.568 1.00 0.00 C ATOM 816 C ILE A 53 14.340 -4.897 36.724 1.00 0.00 C ATOM 817 O ILE A 53 14.421 -5.065 35.507 1.00 0.00 O ATOM 818 CB ILE A 53 12.147 -4.964 37.953 1.00 0.00 C ATOM 819 CG1 ILE A 53 11.090 -5.916 38.541 1.00 0.00 C ATOM 820 CG2 ILE A 53 11.560 -4.275 36.719 1.00 0.00 C ATOM 821 CD1 ILE A 53 11.530 -6.453 39.912 1.00 0.00 C ATOM 0 H ILE A 53 13.698 -5.872 39.647 1.00 0.00 H new ATOM 0 HA ILE A 53 13.106 -6.629 36.980 1.00 0.00 H new ATOM 0 HB ILE A 53 12.424 -4.212 38.692 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.139 -5.392 38.640 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.925 -6.748 37.857 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.670 -3.714 37.004 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.299 -3.594 36.297 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.293 -5.026 35.976 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.764 -7.123 40.303 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.468 -6.998 39.805 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.670 -5.620 40.601 1.00 0.00 H new ATOM 833 N PHE A 54 15.054 -3.988 37.374 1.00 0.00 N ATOM 834 CA PHE A 54 15.990 -3.126 36.661 1.00 0.00 C ATOM 835 C PHE A 54 17.115 -3.955 36.054 1.00 0.00 C ATOM 836 O PHE A 54 17.517 -3.726 34.912 1.00 0.00 O ATOM 837 CB PHE A 54 16.566 -2.070 37.605 1.00 0.00 C ATOM 838 CG PHE A 54 15.497 -1.060 37.953 1.00 0.00 C ATOM 839 CD1 PHE A 54 15.203 -0.018 37.065 1.00 0.00 C ATOM 840 CD2 PHE A 54 14.807 -1.161 39.167 1.00 0.00 C ATOM 841 CE1 PHE A 54 14.220 0.923 37.391 1.00 0.00 C ATOM 842 CE2 PHE A 54 13.822 -0.220 39.492 1.00 0.00 C ATOM 843 CZ PHE A 54 13.529 0.823 38.604 1.00 0.00 C ATOM 0 H PHE A 54 15.006 -3.828 38.380 1.00 0.00 H new ATOM 0 HA PHE A 54 15.453 -2.622 35.858 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.940 -2.545 38.512 1.00 0.00 H new ATOM 0 HB3 PHE A 54 17.412 -1.570 37.134 1.00 0.00 H new ATOM 0 HD1 PHE A 54 15.735 0.059 36.128 1.00 0.00 H new ATOM 0 HD2 PHE A 54 15.034 -1.964 39.852 1.00 0.00 H new ATOM 0 HE1 PHE A 54 13.994 1.727 36.706 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.288 -0.298 40.428 1.00 0.00 H new ATOM 0 HZ PHE A 54 12.770 1.549 38.855 1.00 0.00 H new ATOM 853 N ILE A 55 17.624 -4.918 36.812 1.00 0.00 N ATOM 854 CA ILE A 55 18.701 -5.767 36.318 1.00 0.00 C ATOM 855 C ILE A 55 18.221 -6.578 35.116 1.00 0.00 C ATOM 856 O ILE A 55 18.935 -6.713 34.122 1.00 0.00 O ATOM 857 CB ILE A 55 19.186 -6.713 37.430 1.00 0.00 C ATOM 858 CG1 ILE A 55 19.884 -5.901 38.549 1.00 0.00 C ATOM 859 CG2 ILE A 55 20.156 -7.752 36.845 1.00 0.00 C ATOM 860 CD1 ILE A 55 21.361 -5.631 38.214 1.00 0.00 C ATOM 0 H ILE A 55 17.313 -5.129 37.760 1.00 0.00 H new ATOM 0 HA ILE A 55 19.532 -5.133 36.009 1.00 0.00 H new ATOM 0 HB ILE A 55 18.328 -7.232 37.857 1.00 0.00 H new ATOM 0 HG12 ILE A 55 19.363 -4.954 38.691 1.00 0.00 H new ATOM 0 HG13 ILE A 55 19.817 -6.446 39.491 1.00 0.00 H new ATOM 0 HG21 ILE A 55 20.496 -8.419 37.637 1.00 0.00 H new ATOM 0 HG22 ILE A 55 19.647 -8.332 36.076 1.00 0.00 H new ATOM 0 HG23 ILE A 55 21.014 -7.242 36.407 1.00 0.00 H new ATOM 0 HD11 ILE A 55 21.819 -5.059 39.021 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.887 -6.579 38.097 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.426 -5.064 37.286 1.00 0.00 H new ATOM 872 N GLY A 56 17.009 -7.116 35.211 1.00 0.00 N ATOM 873 CA GLY A 56 16.448 -7.910 34.125 1.00 0.00 C ATOM 874 C GLY A 56 16.271 -7.063 32.866 1.00 0.00 C ATOM 875 O GLY A 56 16.409 -7.554 31.748 1.00 0.00 O ATOM 0 H GLY A 56 16.400 -7.017 36.024 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.103 -8.755 33.911 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.486 -8.322 34.430 1.00 0.00 H new ATOM 879 N LEU A 57 15.953 -5.790 33.059 1.00 0.00 N ATOM 880 CA LEU A 57 15.751 -4.878 31.938 1.00 0.00 C ATOM 881 C LEU A 57 17.045 -4.684 31.141 1.00 0.00 C ATOM 882 O LEU A 57 17.017 -4.554 29.917 1.00 0.00 O ATOM 883 CB LEU A 57 15.248 -3.519 32.448 1.00 0.00 C ATOM 884 CG LEU A 57 14.559 -2.745 31.307 1.00 0.00 C ATOM 885 CD1 LEU A 57 13.135 -3.283 31.062 1.00 0.00 C ATOM 886 CD2 LEU A 57 14.479 -1.258 31.678 1.00 0.00 C ATOM 0 H LEU A 57 15.829 -5.365 33.978 1.00 0.00 H new ATOM 0 HA LEU A 57 15.004 -5.318 31.277 1.00 0.00 H new ATOM 0 HB2 LEU A 57 14.549 -3.667 33.271 1.00 0.00 H new ATOM 0 HB3 LEU A 57 16.083 -2.938 32.840 1.00 0.00 H new ATOM 0 HG LEU A 57 15.144 -2.875 30.396 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.668 -2.722 30.253 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.186 -4.337 30.790 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.542 -3.171 31.970 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.992 -0.708 30.873 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.903 -1.143 32.596 1.00 0.00 H new ATOM 0 HD23 LEU A 57 15.485 -0.866 31.829 1.00 0.00 H new ATOM 898 N THR A 58 18.175 -4.654 31.842 1.00 0.00 N ATOM 899 CA THR A 58 19.470 -4.461 31.188 1.00 0.00 C ATOM 900 C THR A 58 19.799 -5.613 30.236 1.00 0.00 C ATOM 901 O THR A 58 20.176 -5.383 29.087 1.00 0.00 O ATOM 902 CB THR A 58 20.581 -4.344 32.244 1.00 0.00 C ATOM 903 OG1 THR A 58 20.275 -3.275 33.128 1.00 0.00 O ATOM 904 CG2 THR A 58 21.946 -4.069 31.574 1.00 0.00 C ATOM 0 H THR A 58 18.223 -4.760 32.855 1.00 0.00 H new ATOM 0 HA THR A 58 19.410 -3.541 30.606 1.00 0.00 H new ATOM 0 HB THR A 58 20.641 -5.284 32.792 1.00 0.00 H new ATOM 0 HG1 THR A 58 20.980 -3.198 33.804 1.00 0.00 H new ATOM 0 HG21 THR A 58 22.718 -3.990 32.340 1.00 0.00 H new ATOM 0 HG22 THR A 58 22.190 -4.887 30.896 1.00 0.00 H new ATOM 0 HG23 THR A 58 21.895 -3.136 31.013 1.00 0.00 H new ATOM 912 N ILE A 59 19.668 -6.849 30.707 1.00 0.00 N ATOM 913 CA ILE A 59 19.971 -8.002 29.862 1.00 0.00 C ATOM 914 C ILE A 59 18.948 -8.122 28.733 1.00 0.00 C ATOM 915 O ILE A 59 19.273 -8.538 27.622 1.00 0.00 O ATOM 916 CB ILE A 59 19.989 -9.280 30.705 1.00 0.00 C ATOM 917 CG1 ILE A 59 20.290 -10.490 29.812 1.00 0.00 C ATOM 918 CG2 ILE A 59 18.639 -9.468 31.388 1.00 0.00 C ATOM 919 CD1 ILE A 59 20.587 -11.715 30.685 1.00 0.00 C ATOM 0 H ILE A 59 19.360 -7.078 31.652 1.00 0.00 H new ATOM 0 HA ILE A 59 20.956 -7.861 29.418 1.00 0.00 H new ATOM 0 HB ILE A 59 20.766 -9.194 31.464 1.00 0.00 H new ATOM 0 HG12 ILE A 59 19.440 -10.693 29.160 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.142 -10.275 29.167 1.00 0.00 H new ATOM 0 HG21 ILE A 59 18.658 -10.379 31.986 1.00 0.00 H new ATOM 0 HG22 ILE A 59 18.436 -8.614 32.034 1.00 0.00 H new ATOM 0 HG23 ILE A 59 17.857 -9.546 30.633 1.00 0.00 H new ATOM 0 HD11 ILE A 59 20.800 -12.573 30.047 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.450 -11.510 31.318 1.00 0.00 H new ATOM 0 HD13 ILE A 59 19.722 -11.934 31.311 1.00 0.00 H new ATOM 931 N TYR A 60 17.705 -7.767 29.040 1.00 0.00 N ATOM 932 CA TYR A 60 16.622 -7.843 28.064 1.00 0.00 C ATOM 933 C TYR A 60 17.039 -7.193 26.742 1.00 0.00 C ATOM 934 O TYR A 60 16.633 -7.638 25.669 1.00 0.00 O ATOM 935 CB TYR A 60 15.358 -7.147 28.617 1.00 0.00 C ATOM 936 CG TYR A 60 14.111 -7.758 28.002 1.00 0.00 C ATOM 937 CD1 TYR A 60 13.819 -7.546 26.649 1.00 0.00 C ATOM 938 CD2 TYR A 60 13.256 -8.542 28.787 1.00 0.00 C ATOM 939 CE1 TYR A 60 12.674 -8.118 26.081 1.00 0.00 C ATOM 940 CE2 TYR A 60 12.112 -9.114 28.219 1.00 0.00 C ATOM 941 CZ TYR A 60 11.820 -8.901 26.866 1.00 0.00 C ATOM 942 OH TYR A 60 10.691 -9.464 26.306 1.00 0.00 O ATOM 0 H TYR A 60 17.421 -7.423 29.958 1.00 0.00 H new ATOM 0 HA TYR A 60 16.400 -8.894 27.879 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.324 -7.247 29.702 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.396 -6.080 28.397 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.477 -6.941 26.043 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.480 -8.705 29.831 1.00 0.00 H new ATOM 0 HE1 TYR A 60 12.450 -7.955 25.037 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.454 -9.720 28.824 1.00 0.00 H new ATOM 0 HH TYR A 60 10.209 -9.978 26.987 1.00 0.00 H new ATOM 952 N ALA A 61 17.850 -6.141 26.820 1.00 0.00 N ATOM 953 CA ALA A 61 18.294 -5.446 25.615 1.00 0.00 C ATOM 954 C ALA A 61 18.800 -6.442 24.576 1.00 0.00 C ATOM 955 O ALA A 61 18.556 -6.279 23.380 1.00 0.00 O ATOM 956 CB ALA A 61 19.411 -4.461 25.966 1.00 0.00 C ATOM 0 H ALA A 61 18.209 -5.755 27.693 1.00 0.00 H new ATOM 0 HA ALA A 61 17.446 -4.903 25.197 1.00 0.00 H new ATOM 0 HB1 ALA A 61 19.738 -3.945 25.063 1.00 0.00 H new ATOM 0 HB2 ALA A 61 19.040 -3.732 26.686 1.00 0.00 H new ATOM 0 HB3 ALA A 61 20.252 -5.003 26.399 1.00 0.00 H new ATOM 962 N ILE A 62 19.498 -7.475 25.032 1.00 0.00 N ATOM 963 CA ILE A 62 20.022 -8.493 24.130 1.00 0.00 C ATOM 964 C ILE A 62 18.900 -9.109 23.298 1.00 0.00 C ATOM 965 O ILE A 62 19.115 -9.525 22.159 1.00 0.00 O ATOM 966 CB ILE A 62 20.724 -9.596 24.929 1.00 0.00 C ATOM 967 CG1 ILE A 62 21.809 -8.971 25.827 1.00 0.00 C ATOM 968 CG2 ILE A 62 21.355 -10.616 23.975 1.00 0.00 C ATOM 969 CD1 ILE A 62 22.840 -8.190 24.997 1.00 0.00 C ATOM 0 H ILE A 62 19.714 -7.630 26.017 1.00 0.00 H new ATOM 0 HA ILE A 62 20.737 -8.015 23.461 1.00 0.00 H new ATOM 0 HB ILE A 62 19.992 -10.108 25.554 1.00 0.00 H new ATOM 0 HG12 ILE A 62 21.343 -8.304 26.553 1.00 0.00 H new ATOM 0 HG13 ILE A 62 22.313 -9.755 26.392 1.00 0.00 H new ATOM 0 HG21 ILE A 62 21.851 -11.396 24.553 1.00 0.00 H new ATOM 0 HG22 ILE A 62 20.578 -11.063 23.355 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.085 -10.116 23.338 1.00 0.00 H new ATOM 0 HD11 ILE A 62 23.592 -7.762 25.660 1.00 0.00 H new ATOM 0 HD12 ILE A 62 23.322 -8.864 24.289 1.00 0.00 H new ATOM 0 HD13 ILE A 62 22.338 -7.390 24.453 1.00 0.00 H new ATOM 981 N GLN A 63 17.703 -9.169 23.873 1.00 0.00 N ATOM 982 CA GLN A 63 16.558 -9.740 23.171 1.00 0.00 C ATOM 983 C GLN A 63 16.144 -8.853 21.996 1.00 0.00 C ATOM 984 O GLN A 63 15.857 -9.339 20.901 1.00 0.00 O ATOM 985 CB GLN A 63 15.378 -9.892 24.148 1.00 0.00 C ATOM 986 CG GLN A 63 14.432 -10.996 23.659 1.00 0.00 C ATOM 987 CD GLN A 63 13.938 -10.675 22.253 1.00 0.00 C ATOM 988 OE1 GLN A 63 13.531 -9.546 21.981 1.00 0.00 O ATOM 989 NE2 GLN A 63 13.956 -11.604 21.336 1.00 0.00 N ATOM 0 H GLN A 63 17.501 -8.833 24.815 1.00 0.00 H new ATOM 0 HA GLN A 63 16.841 -10.718 22.782 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.749 -10.134 25.144 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.838 -8.949 24.229 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.948 -11.956 23.662 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.585 -11.088 24.339 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.294 -12.539 21.564 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.632 -11.395 20.392 1.00 0.00 H new ATOM 998 N ARG A 64 16.129 -7.546 22.243 1.00 0.00 N ATOM 999 CA ARG A 64 15.765 -6.559 21.229 1.00 0.00 C ATOM 1000 C ARG A 64 16.902 -6.329 20.238 1.00 0.00 C ATOM 1001 O ARG A 64 16.679 -5.849 19.126 1.00 0.00 O ATOM 1002 CB ARG A 64 15.374 -5.241 21.899 1.00 0.00 C ATOM 1003 CG ARG A 64 14.988 -4.219 20.823 1.00 0.00 C ATOM 1004 CD ARG A 64 14.330 -2.982 21.465 1.00 0.00 C ATOM 1005 NE ARG A 64 12.876 -3.140 21.468 1.00 0.00 N ATOM 1006 CZ ARG A 64 12.146 -2.767 20.422 1.00 0.00 C ATOM 1007 NH1 ARG A 64 12.725 -2.252 19.372 1.00 0.00 N ATOM 1008 NH2 ARG A 64 10.849 -2.914 20.446 1.00 0.00 N ATOM 0 H ARG A 64 16.368 -7.142 23.148 1.00 0.00 H new ATOM 0 HA ARG A 64 14.913 -6.948 20.672 1.00 0.00 H new ATOM 0 HB2 ARG A 64 14.539 -5.401 22.581 1.00 0.00 H new ATOM 0 HB3 ARG A 64 16.205 -4.862 22.495 1.00 0.00 H new ATOM 0 HG2 ARG A 64 15.874 -3.918 20.264 1.00 0.00 H new ATOM 0 HG3 ARG A 64 14.301 -4.675 20.110 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.693 -2.854 22.485 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.606 -2.084 20.913 1.00 0.00 H new ATOM 0 HE ARG A 64 12.416 -3.542 22.285 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.738 -2.136 19.354 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.164 -1.966 18.569 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.396 -3.315 21.267 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.288 -2.628 19.643 1.00 0.00 H new ATOM 1022 N LYS A 65 18.121 -6.623 20.670 1.00 0.00 N ATOM 1023 CA LYS A 65 19.299 -6.390 19.841 1.00 0.00 C ATOM 1024 C LYS A 65 19.115 -6.983 18.447 1.00 0.00 C ATOM 1025 O LYS A 65 19.445 -6.334 17.453 1.00 0.00 O ATOM 1026 CB LYS A 65 20.518 -7.042 20.495 1.00 0.00 C ATOM 1027 CG LYS A 65 21.796 -6.603 19.768 1.00 0.00 C ATOM 1028 CD LYS A 65 23.041 -7.264 20.423 1.00 0.00 C ATOM 1029 CE LYS A 65 23.518 -8.452 19.576 1.00 0.00 C ATOM 1030 NZ LYS A 65 22.351 -9.310 19.222 1.00 0.00 N ATOM 0 H LYS A 65 18.321 -7.022 21.587 1.00 0.00 H new ATOM 0 HA LYS A 65 19.443 -5.313 19.750 1.00 0.00 H new ATOM 0 HB2 LYS A 65 20.572 -6.760 21.547 1.00 0.00 H new ATOM 0 HB3 LYS A 65 20.424 -8.127 20.460 1.00 0.00 H new ATOM 0 HG2 LYS A 65 21.739 -6.882 18.716 1.00 0.00 H new ATOM 0 HG3 LYS A 65 21.890 -5.518 19.805 1.00 0.00 H new ATOM 0 HD2 LYS A 65 23.842 -6.531 20.519 1.00 0.00 H new ATOM 0 HD3 LYS A 65 22.795 -7.601 21.430 1.00 0.00 H new ATOM 0 HE2 LYS A 65 24.007 -8.094 18.670 1.00 0.00 H new ATOM 0 HE3 LYS A 65 24.256 -9.033 20.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 22.689 -10.204 18.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 21.794 -9.509 20.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 21.754 -8.816 18.528 1.00 0.00 H new ATOM 1044 N ARG A 66 18.581 -8.197 18.354 1.00 0.00 N ATOM 1045 CA ARG A 66 18.360 -8.806 17.048 1.00 0.00 C ATOM 1046 C ARG A 66 17.225 -8.089 16.323 1.00 0.00 C ATOM 1047 O ARG A 66 17.334 -7.761 15.142 1.00 0.00 O ATOM 1048 CB ARG A 66 18.012 -10.285 17.222 1.00 0.00 C ATOM 1049 CG ARG A 66 19.247 -11.037 17.718 1.00 0.00 C ATOM 1050 CD ARG A 66 18.943 -12.532 17.816 1.00 0.00 C ATOM 1051 NE ARG A 66 17.901 -12.776 18.808 1.00 0.00 N ATOM 1052 CZ ARG A 66 17.591 -14.012 19.184 1.00 0.00 C ATOM 1053 NH1 ARG A 66 18.236 -15.028 18.682 1.00 0.00 N ATOM 1054 NH2 ARG A 66 16.639 -14.209 20.056 1.00 0.00 N ATOM 0 H ARG A 66 18.298 -8.768 19.150 1.00 0.00 H new ATOM 0 HA ARG A 66 19.270 -8.718 16.455 1.00 0.00 H new ATOM 0 HB2 ARG A 66 17.193 -10.397 17.933 1.00 0.00 H new ATOM 0 HB3 ARG A 66 17.672 -10.705 16.275 1.00 0.00 H new ATOM 0 HG2 ARG A 66 20.082 -10.871 17.037 1.00 0.00 H new ATOM 0 HG3 ARG A 66 19.549 -10.654 18.693 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.624 -12.909 16.844 1.00 0.00 H new ATOM 0 HD3 ARG A 66 19.847 -13.076 18.088 1.00 0.00 H new ATOM 0 HE ARG A 66 17.403 -11.986 19.219 1.00 0.00 H new ATOM 0 HH11 ARG A 66 18.979 -14.874 18.000 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.998 -15.977 18.971 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.134 -13.414 20.448 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.400 -15.158 20.345 1.00 0.00 H new ATOM 1068 N GLN A 67 16.130 -7.862 17.040 1.00 0.00 N ATOM 1069 CA GLN A 67 14.973 -7.194 16.454 1.00 0.00 C ATOM 1070 C GLN A 67 15.370 -5.850 15.853 1.00 0.00 C ATOM 1071 O GLN A 67 14.763 -5.391 14.885 1.00 0.00 O ATOM 1072 CB GLN A 67 13.891 -6.973 17.513 1.00 0.00 C ATOM 1073 CG GLN A 67 13.338 -8.321 17.978 1.00 0.00 C ATOM 1074 CD GLN A 67 12.182 -8.102 18.950 1.00 0.00 C ATOM 1075 OE1 GLN A 67 11.569 -6.949 18.973 1.00 0.00 O flip ATOM 1076 NE2 GLN A 67 11.822 -9.007 19.704 1.00 0.00 N flip ATOM 0 H GLN A 67 16.019 -8.128 18.019 1.00 0.00 H new ATOM 0 HA GLN A 67 14.582 -7.835 15.664 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.305 -6.428 18.361 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.087 -6.362 17.103 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.998 -8.900 17.119 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.125 -8.900 18.461 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.301 -9.907 19.685 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.045 -8.856 20.347 1.00 0.00 H new ATOM 1085 N ALA A 68 16.384 -5.217 16.432 1.00 0.00 N ATOM 1086 CA ALA A 68 16.838 -3.924 15.940 1.00 0.00 C ATOM 1087 C ALA A 68 17.170 -4.019 14.454 1.00 0.00 C ATOM 1088 O ALA A 68 16.795 -3.159 13.656 1.00 0.00 O ATOM 1089 CB ALA A 68 18.081 -3.488 16.717 1.00 0.00 C ATOM 0 H ALA A 68 16.902 -5.574 17.235 1.00 0.00 H new ATOM 0 HA ALA A 68 16.045 -3.190 16.081 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.420 -2.520 16.348 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.838 -3.407 17.777 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.872 -4.225 16.581 1.00 0.00 H new ATOM 1095 N ASP A 69 17.871 -5.092 14.103 1.00 0.00 N ATOM 1096 CA ASP A 69 18.263 -5.341 12.719 1.00 0.00 C ATOM 1097 C ASP A 69 17.037 -5.461 11.816 1.00 0.00 C ATOM 1098 O ASP A 69 16.975 -4.827 10.765 1.00 0.00 O ATOM 1099 CB ASP A 69 19.070 -6.637 12.634 1.00 0.00 C ATOM 1100 CG ASP A 69 20.409 -6.472 13.345 1.00 0.00 C ATOM 1101 OD1 ASP A 69 20.994 -5.408 13.232 1.00 0.00 O ATOM 1102 OD2 ASP A 69 20.826 -7.412 14.000 1.00 0.00 O ATOM 0 H ASP A 69 18.181 -5.807 14.761 1.00 0.00 H new ATOM 0 HA ASP A 69 18.869 -4.499 12.383 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.508 -7.454 13.087 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.235 -6.903 11.590 1.00 0.00 H new ATOM 1107 N ALA A 70 16.065 -6.266 12.224 1.00 0.00 N ATOM 1108 CA ALA A 70 14.861 -6.439 11.418 1.00 0.00 C ATOM 1109 C ALA A 70 14.188 -5.094 11.155 1.00 0.00 C ATOM 1110 O ALA A 70 13.894 -4.748 10.011 1.00 0.00 O ATOM 1111 CB ALA A 70 13.882 -7.366 12.142 1.00 0.00 C ATOM 0 H ALA A 70 16.083 -6.801 13.092 1.00 0.00 H new ATOM 0 HA ALA A 70 15.147 -6.880 10.463 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.985 -7.492 11.536 1.00 0.00 H new ATOM 0 HB2 ALA A 70 14.351 -8.337 12.302 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.612 -6.930 13.104 1.00 0.00 H new ATOM 1117 N SER A 71 13.951 -4.340 12.221 1.00 0.00 N ATOM 1118 CA SER A 71 13.313 -3.032 12.098 1.00 0.00 C ATOM 1119 C SER A 71 14.184 -2.059 11.302 1.00 0.00 C ATOM 1120 O SER A 71 13.677 -1.262 10.512 1.00 0.00 O ATOM 1121 CB SER A 71 13.042 -2.455 13.487 1.00 0.00 C ATOM 1122 OG SER A 71 12.164 -3.324 14.190 1.00 0.00 O ATOM 0 H SER A 71 14.189 -4.608 13.176 1.00 0.00 H new ATOM 0 HA SER A 71 12.373 -3.166 11.562 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.977 -2.341 14.036 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.600 -1.462 13.402 1.00 0.00 H new ATOM 0 HG SER A 71 11.988 -2.959 15.082 1.00 0.00 H new ATOM 1128 N SER A 72 15.492 -2.115 11.529 1.00 0.00 N ATOM 1129 CA SER A 72 16.419 -1.216 10.845 1.00 0.00 C ATOM 1130 C SER A 72 16.361 -1.399 9.327 1.00 0.00 C ATOM 1131 O SER A 72 16.384 -0.424 8.580 1.00 0.00 O ATOM 1132 CB SER A 72 17.845 -1.473 11.329 1.00 0.00 C ATOM 1133 OG SER A 72 18.250 -2.770 10.917 1.00 0.00 O ATOM 0 H SER A 72 15.933 -2.768 12.176 1.00 0.00 H new ATOM 0 HA SER A 72 16.123 -0.193 11.080 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.521 -0.721 10.922 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.894 -1.391 12.415 1.00 0.00 H new ATOM 0 HG SER A 72 17.466 -3.356 10.865 1.00 0.00 H new ATOM 1139 N THR A 73 16.294 -2.655 8.874 1.00 0.00 N ATOM 1140 CA THR A 73 16.242 -2.953 7.436 1.00 0.00 C ATOM 1141 C THR A 73 15.013 -3.812 7.100 1.00 0.00 C ATOM 1142 O THR A 73 15.056 -5.034 7.251 1.00 0.00 O ATOM 1143 CB THR A 73 17.515 -3.698 7.015 1.00 0.00 C ATOM 1144 OG1 THR A 73 17.263 -4.430 5.824 1.00 0.00 O ATOM 1145 CG2 THR A 73 17.956 -4.657 8.119 1.00 0.00 C ATOM 0 H THR A 73 16.275 -3.478 9.476 1.00 0.00 H new ATOM 0 HA THR A 73 16.169 -2.011 6.893 1.00 0.00 H new ATOM 0 HB THR A 73 18.309 -2.972 6.840 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.747 -4.018 5.078 1.00 0.00 H new ATOM 0 HG21 THR A 73 18.860 -5.179 7.807 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.158 -4.094 9.031 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.165 -5.383 8.308 1.00 0.00 H new ATOM 1153 N PRO A 74 13.919 -3.216 6.656 1.00 0.00 N ATOM 1154 CA PRO A 74 12.681 -3.979 6.313 1.00 0.00 C ATOM 1155 C PRO A 74 12.775 -4.665 4.945 1.00 0.00 C ATOM 1156 O PRO A 74 12.256 -4.160 3.950 1.00 0.00 O ATOM 1157 CB PRO A 74 11.578 -2.906 6.332 1.00 0.00 C ATOM 1158 CG PRO A 74 12.265 -1.612 6.010 1.00 0.00 C ATOM 1159 CD PRO A 74 13.732 -1.762 6.433 1.00 0.00 C ATOM 0 HA PRO A 74 12.495 -4.795 7.011 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.802 -3.130 5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 74 11.093 -2.860 7.307 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.192 -1.392 4.945 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.794 -0.784 6.540 1.00 0.00 H new ATOM 0 HD2 PRO A 74 14.406 -1.391 5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 74 13.942 -1.193 7.339 1.00 0.00 H new ATOM 1167 N LYS A 75 13.436 -5.822 4.911 1.00 0.00 N ATOM 1168 CA LYS A 75 13.587 -6.578 3.668 1.00 0.00 C ATOM 1169 C LYS A 75 12.331 -7.388 3.341 1.00 0.00 C ATOM 1170 O LYS A 75 11.908 -7.454 2.189 1.00 0.00 O ATOM 1171 CB LYS A 75 14.790 -7.520 3.775 1.00 0.00 C ATOM 1172 CG LYS A 75 16.083 -6.704 3.718 1.00 0.00 C ATOM 1173 CD LYS A 75 17.287 -7.636 3.869 1.00 0.00 C ATOM 1174 CE LYS A 75 18.575 -6.814 3.845 1.00 0.00 C ATOM 1175 NZ LYS A 75 19.749 -7.725 3.946 1.00 0.00 N ATOM 0 H LYS A 75 13.873 -6.254 5.725 1.00 0.00 H new ATOM 0 HA LYS A 75 13.745 -5.861 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.743 -8.083 4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.770 -8.247 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 75 16.144 -6.166 2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 75 16.088 -5.956 4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 75 17.215 -8.192 4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 75 17.296 -8.369 3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 75 18.631 -6.233 2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 75 18.581 -6.103 4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 20.625 -7.165 3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 19.697 -8.261 4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 19.746 -8.386 3.143 1.00 0.00 H new ATOM 1189 N PHE A 76 11.749 -8.016 4.355 1.00 0.00 N ATOM 1190 CA PHE A 76 10.556 -8.836 4.150 1.00 0.00 C ATOM 1191 C PHE A 76 9.475 -8.054 3.403 1.00 0.00 C ATOM 1192 O PHE A 76 8.999 -8.487 2.354 1.00 0.00 O ATOM 1193 CB PHE A 76 10.022 -9.308 5.508 1.00 0.00 C ATOM 1194 CG PHE A 76 10.124 -8.178 6.504 1.00 0.00 C ATOM 1195 CD1 PHE A 76 11.325 -7.961 7.190 1.00 0.00 C ATOM 1196 CD2 PHE A 76 9.023 -7.345 6.738 1.00 0.00 C ATOM 1197 CE1 PHE A 76 11.425 -6.910 8.110 1.00 0.00 C ATOM 1198 CE2 PHE A 76 9.123 -6.296 7.658 1.00 0.00 C ATOM 1199 CZ PHE A 76 10.323 -6.077 8.344 1.00 0.00 C ATOM 0 H PHE A 76 12.078 -7.976 5.320 1.00 0.00 H new ATOM 0 HA PHE A 76 10.826 -9.700 3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.985 -9.631 5.412 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.593 -10.168 5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 76 12.174 -8.604 7.010 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.097 -7.512 6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.351 -6.742 8.639 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.273 -5.654 7.839 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.400 -5.266 9.053 1.00 0.00 H new ATOM 1209 N ASN A 77 9.097 -6.905 3.942 1.00 0.00 N ATOM 1210 CA ASN A 77 8.077 -6.072 3.307 1.00 0.00 C ATOM 1211 C ASN A 77 8.671 -5.278 2.147 1.00 0.00 C ATOM 1212 O ASN A 77 7.983 -4.978 1.170 1.00 0.00 O ATOM 1213 CB ASN A 77 7.468 -5.118 4.336 1.00 0.00 C ATOM 1214 CG ASN A 77 8.572 -4.451 5.144 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.605 -5.070 5.407 1.00 0.00 O ATOM 1216 ND2 ASN A 77 8.421 -3.223 5.559 1.00 0.00 N ATOM 0 H ASN A 77 9.475 -6.527 4.811 1.00 0.00 H new ATOM 0 HA ASN A 77 7.296 -6.723 2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.867 -4.361 3.832 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.799 -5.665 5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.158 -2.774 6.102 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.566 -2.712 5.340 1.00 0.00 H new ATOM 1223 N GLY A 78 9.951 -4.930 2.266 1.00 0.00 N ATOM 1224 CA GLY A 78 10.630 -4.162 1.225 1.00 0.00 C ATOM 1225 C GLY A 78 10.730 -4.954 -0.075 1.00 0.00 C ATOM 1226 O GLY A 78 10.610 -4.396 -1.165 1.00 0.00 O ATOM 0 H GLY A 78 10.536 -5.166 3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.090 -3.232 1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 78 11.629 -3.890 1.565 1.00 0.00 H new ATOM 1230 N VAL A 79 10.951 -6.258 0.050 1.00 0.00 N ATOM 1231 CA VAL A 79 11.061 -7.128 -1.117 1.00 0.00 C ATOM 1232 C VAL A 79 9.715 -7.246 -1.831 1.00 0.00 C ATOM 1233 O VAL A 79 9.657 -7.276 -3.061 1.00 0.00 O ATOM 1234 CB VAL A 79 11.568 -8.518 -0.698 1.00 0.00 C ATOM 1235 CG1 VAL A 79 11.420 -9.503 -1.867 1.00 0.00 C ATOM 1236 CG2 VAL A 79 13.052 -8.421 -0.304 1.00 0.00 C ATOM 0 H VAL A 79 11.057 -6.736 0.945 1.00 0.00 H new ATOM 0 HA VAL A 79 11.778 -6.687 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 79 10.981 -8.873 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 79 11.781 -10.485 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.370 -9.574 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.003 -9.149 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.414 -9.405 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.632 -8.063 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 79 13.163 -7.726 0.529 1.00 0.00 H new ATOM 1246 N LYS A 80 8.641 -7.343 -1.054 1.00 0.00 N ATOM 1247 CA LYS A 80 7.305 -7.489 -1.627 1.00 0.00 C ATOM 1248 C LYS A 80 7.121 -6.515 -2.797 1.00 0.00 C ATOM 1249 O LYS A 80 6.759 -6.919 -3.902 1.00 0.00 O ATOM 1250 CB LYS A 80 6.242 -7.219 -0.525 1.00 0.00 C ATOM 1251 CG LYS A 80 5.266 -8.405 -0.389 1.00 0.00 C ATOM 1252 CD LYS A 80 5.930 -9.539 0.401 1.00 0.00 C ATOM 1253 CE LYS A 80 4.898 -10.627 0.709 1.00 0.00 C ATOM 1254 NZ LYS A 80 4.046 -10.190 1.852 1.00 0.00 N ATOM 0 H LYS A 80 8.667 -7.324 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 80 7.181 -8.504 -2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.740 -7.043 0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.686 -6.313 -0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.356 -8.082 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.973 -8.761 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.756 -9.960 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.351 -9.151 1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.280 -10.817 -0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.401 -11.563 0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.460 -10.987 2.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.652 -9.868 2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.430 -9.409 1.547 1.00 0.00 H new ATOM 1268 N LYS A 81 7.379 -5.233 -2.543 1.00 0.00 N ATOM 1269 CA LYS A 81 7.243 -4.205 -3.577 1.00 0.00 C ATOM 1270 C LYS A 81 8.318 -3.135 -3.413 1.00 0.00 C ATOM 1271 O LYS A 81 9.476 -3.448 -3.631 1.00 0.00 O ATOM 1272 CB LYS A 81 5.859 -3.557 -3.493 1.00 0.00 C ATOM 1273 CG LYS A 81 4.796 -4.558 -3.957 1.00 0.00 C ATOM 1274 CD LYS A 81 3.414 -3.903 -3.895 1.00 0.00 C ATOM 1275 CE LYS A 81 2.343 -4.924 -4.285 1.00 0.00 C ATOM 1276 NZ LYS A 81 1.081 -4.212 -4.634 1.00 0.00 N ATOM 1277 OXT LYS A 81 7.966 -2.017 -3.074 1.00 0.00 O ATOM 0 H LYS A 81 7.682 -4.881 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 81 7.363 -4.679 -4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.655 -3.242 -2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.827 -2.662 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.009 -4.885 -4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.818 -5.446 -3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.223 -3.527 -2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.376 -3.046 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.684 -5.519 -5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.167 -5.615 -3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.270 -4.842 -4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.985 -3.364 -4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.106 -3.932 -5.635 1.00 0.00 H new TER 1291 LYS A 81