USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 832 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 114 GLN : amide:sc= -0.323 K(o=-0.32,f=-0.92) USER MOD Set 1.2: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 5 GLN : amide:sc= -16.4! C(o=-15!,f=-18!) USER MOD Set 2.2: A 113 THR OG1 : rot -83:sc= 1.04 USER MOD Set 3.1: A 18 SER OG : rot 180:sc= -3.53! USER MOD Set 3.2: A 80 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 116:sc= 0.452 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0941 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.45 F(o=-3.6!,f=-1.5) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.91 K(o=-0.91,f=-4.8!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.918 USER MOD Single : A 51 THR OG1 : rot -146:sc= 0.587 USER MOD Single : A 52 TYR OH : rot 113:sc= 0.463 USER MOD Single : A 53 MET CE :methyl 150:sc= -4.73! (180deg=-7.32!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.862 K(o=-0.86,f=-1.6!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 0:sc= -1.22 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 76 GLN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 78 ASN : amide:sc= -5.01! C(o=-5!,f=-6.7!) USER MOD Single : A 82 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.61) USER MOD Single : A 87 MET CE :methyl -155:sc= -0.0547 (180deg=-0.8) USER MOD Single : A 89 THR OG1 : rot 100:sc= 0.74 USER MOD Single : A 92 TYR OH : rot 122:sc= 0.714 USER MOD Single : A 95 LYS NZ :NH3+ -155:sc= -0.0139 (180deg=-0.26) USER MOD Single : A 99 MET CE :methyl 155:sc= -6.75! (180deg=-7.15!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 118:sc= -0.724! USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.0217 F(o=-1.7!,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 30 N HIS A 2 -7.019 4.971 3.681 1.00 0.00 N ATOM 31 CA HIS A 2 -6.513 5.436 2.354 1.00 0.00 C ATOM 32 C HIS A 2 -5.721 4.325 1.663 1.00 0.00 C ATOM 33 O HIS A 2 -4.872 4.575 0.829 1.00 0.00 O ATOM 34 CB HIS A 2 -5.621 6.639 2.658 1.00 0.00 C ATOM 35 CG HIS A 2 -6.452 7.739 3.259 1.00 0.00 C ATOM 36 ND1 HIS A 2 -6.587 7.899 4.629 1.00 0.00 N ATOM 37 CD2 HIS A 2 -7.200 8.739 2.689 1.00 0.00 C ATOM 38 CE1 HIS A 2 -7.388 8.961 4.836 1.00 0.00 C ATOM 39 NE2 HIS A 2 -7.790 9.510 3.687 1.00 0.00 N ATOM 0 HA HIS A 2 -7.325 5.703 1.678 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -4.826 6.351 3.346 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -5.140 6.989 1.744 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -7.314 8.903 1.628 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -7.671 9.325 5.813 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -8.398 10.320 3.566 1.00 0.00 H new ATOM 47 N VAL A 3 -6.009 3.103 2.005 1.00 0.00 N ATOM 48 CA VAL A 3 -5.305 1.945 1.383 1.00 0.00 C ATOM 49 C VAL A 3 -6.310 0.805 1.177 1.00 0.00 C ATOM 50 O VAL A 3 -7.073 0.481 2.069 1.00 0.00 O ATOM 51 CB VAL A 3 -4.220 1.546 2.391 1.00 0.00 C ATOM 52 CG1 VAL A 3 -3.437 0.349 1.849 1.00 0.00 C ATOM 53 CG2 VAL A 3 -3.260 2.722 2.615 1.00 0.00 C ATOM 0 H VAL A 3 -6.713 2.851 2.699 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.871 2.180 0.411 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.690 1.279 3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.666 0.065 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.116 -0.490 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.971 0.618 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.491 2.433 3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.791 2.994 1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.815 3.576 3.003 1.00 0.00 H new ATOM 63 N ALA A 4 -6.332 0.207 0.011 1.00 0.00 N ATOM 64 CA ALA A 4 -7.309 -0.898 -0.244 1.00 0.00 C ATOM 65 C ALA A 4 -6.593 -2.178 -0.689 1.00 0.00 C ATOM 66 O ALA A 4 -5.723 -2.153 -1.539 1.00 0.00 O ATOM 67 CB ALA A 4 -8.212 -0.373 -1.362 1.00 0.00 C ATOM 0 H ALA A 4 -5.719 0.434 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.868 -1.158 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.960 -1.126 -1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.711 0.538 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.610 -0.156 -2.244 1.00 0.00 H new ATOM 73 N GLN A 5 -6.970 -3.298 -0.124 1.00 0.00 N ATOM 74 CA GLN A 5 -6.334 -4.595 -0.507 1.00 0.00 C ATOM 75 C GLN A 5 -7.352 -5.746 -0.422 1.00 0.00 C ATOM 76 O GLN A 5 -8.219 -5.730 0.428 1.00 0.00 O ATOM 77 CB GLN A 5 -5.225 -4.828 0.520 1.00 0.00 C ATOM 78 CG GLN A 5 -4.091 -3.829 0.308 1.00 0.00 C ATOM 79 CD GLN A 5 -2.879 -4.260 1.137 1.00 0.00 C ATOM 80 OE1 GLN A 5 -2.705 -5.429 1.420 1.00 0.00 O ATOM 81 NE2 GLN A 5 -2.029 -3.359 1.538 1.00 0.00 N ATOM 0 H GLN A 5 -7.695 -3.369 0.590 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.958 -4.561 -1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.626 -4.725 1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.844 -5.845 0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.826 -3.781 -0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.411 -2.829 0.602 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.176 -2.378 1.300 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.217 -3.634 2.090 1.00 0.00 H new ATOM 90 N PRO A 6 -7.196 -6.732 -1.281 1.00 0.00 N ATOM 91 CA PRO A 6 -8.104 -7.907 -1.246 1.00 0.00 C ATOM 92 C PRO A 6 -7.817 -8.726 0.010 1.00 0.00 C ATOM 93 O PRO A 6 -6.680 -8.883 0.404 1.00 0.00 O ATOM 94 CB PRO A 6 -7.744 -8.682 -2.511 1.00 0.00 C ATOM 95 CG PRO A 6 -6.342 -8.272 -2.827 1.00 0.00 C ATOM 96 CD PRO A 6 -6.185 -6.856 -2.345 1.00 0.00 C ATOM 0 HA PRO A 6 -9.162 -7.648 -1.216 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.814 -9.758 -2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.421 -8.438 -3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.626 -8.930 -2.334 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.152 -8.339 -3.898 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.180 -6.672 -1.965 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.359 -6.139 -3.147 1.00 0.00 H new ATOM 104 N ALA A 7 -8.832 -9.241 0.646 1.00 0.00 N ATOM 105 CA ALA A 7 -8.598 -10.042 1.884 1.00 0.00 C ATOM 106 C ALA A 7 -7.792 -11.287 1.552 1.00 0.00 C ATOM 107 O ALA A 7 -7.032 -11.767 2.374 1.00 0.00 O ATOM 108 CB ALA A 7 -9.987 -10.410 2.409 1.00 0.00 C ATOM 0 H ALA A 7 -9.808 -9.144 0.366 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.031 -9.487 2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.887 -11.001 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.547 -9.500 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.518 -10.992 1.656 1.00 0.00 H new ATOM 114 N VAL A 8 -7.932 -11.812 0.359 1.00 0.00 N ATOM 115 CA VAL A 8 -7.149 -13.010 0.014 1.00 0.00 C ATOM 116 C VAL A 8 -6.955 -13.131 -1.492 1.00 0.00 C ATOM 117 O VAL A 8 -7.677 -12.553 -2.282 1.00 0.00 O ATOM 118 CB VAL A 8 -7.948 -14.188 0.591 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.134 -14.633 -0.290 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.019 -15.370 0.801 1.00 0.00 C ATOM 0 H VAL A 8 -8.549 -11.460 -0.373 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.141 -12.974 0.427 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.372 -13.838 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.647 -15.469 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.829 -13.802 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.765 -14.943 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.583 -16.208 1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.579 -15.661 -0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.227 -15.091 1.496 1.00 0.00 H new ATOM 130 N VAL A 9 -5.995 -13.908 -1.869 1.00 0.00 N ATOM 131 CA VAL A 9 -5.714 -14.136 -3.303 1.00 0.00 C ATOM 132 C VAL A 9 -5.417 -15.621 -3.537 1.00 0.00 C ATOM 133 O VAL A 9 -5.012 -16.333 -2.638 1.00 0.00 O ATOM 134 CB VAL A 9 -4.510 -13.238 -3.604 1.00 0.00 C ATOM 135 CG1 VAL A 9 -3.769 -13.689 -4.871 1.00 0.00 C ATOM 136 CG2 VAL A 9 -5.005 -11.810 -3.810 1.00 0.00 C ATOM 0 H VAL A 9 -5.377 -14.408 -1.230 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.550 -13.894 -3.960 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.819 -13.300 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.921 -13.028 -5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.411 -14.710 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.448 -13.650 -5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.158 -11.159 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.704 -11.784 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.507 -11.465 -2.906 1.00 0.00 H new ATOM 146 N LEU A 10 -5.620 -16.081 -4.741 1.00 0.00 N ATOM 147 CA LEU A 10 -5.358 -17.517 -5.048 1.00 0.00 C ATOM 148 C LEU A 10 -4.343 -17.634 -6.192 1.00 0.00 C ATOM 149 O LEU A 10 -4.545 -17.098 -7.265 1.00 0.00 O ATOM 150 CB LEU A 10 -6.716 -18.091 -5.472 1.00 0.00 C ATOM 151 CG LEU A 10 -7.750 -17.886 -4.354 1.00 0.00 C ATOM 152 CD1 LEU A 10 -9.107 -18.423 -4.812 1.00 0.00 C ATOM 153 CD2 LEU A 10 -7.309 -18.629 -3.088 1.00 0.00 C ATOM 0 H LEU A 10 -5.956 -15.524 -5.527 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.941 -18.052 -4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.056 -17.604 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.617 -19.153 -5.695 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.831 -16.822 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.842 -18.278 -4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.427 -17.888 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.021 -19.486 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.048 -18.478 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.221 -19.694 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.344 -18.244 -2.758 1.00 0.00 H new ATOM 165 N ALA A 11 -3.260 -18.337 -5.971 1.00 0.00 N ATOM 166 CA ALA A 11 -2.233 -18.499 -7.048 1.00 0.00 C ATOM 167 C ALA A 11 -2.710 -19.560 -8.049 1.00 0.00 C ATOM 168 O ALA A 11 -3.311 -20.546 -7.673 1.00 0.00 O ATOM 169 CB ALA A 11 -0.960 -18.942 -6.320 1.00 0.00 C ATOM 0 H ALA A 11 -3.042 -18.806 -5.092 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.059 -17.585 -7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.157 -19.083 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.669 -18.178 -5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.147 -19.881 -5.799 1.00 0.00 H new ATOM 175 N SER A 12 -2.472 -19.353 -9.323 1.00 0.00 N ATOM 176 CA SER A 12 -2.949 -20.341 -10.348 1.00 0.00 C ATOM 177 C SER A 12 -2.014 -21.554 -10.452 1.00 0.00 C ATOM 178 O SER A 12 -2.424 -22.680 -10.239 1.00 0.00 O ATOM 179 CB SER A 12 -2.952 -19.565 -11.666 1.00 0.00 C ATOM 180 OG SER A 12 -3.901 -18.510 -11.587 1.00 0.00 O ATOM 0 H SER A 12 -1.971 -18.547 -9.698 1.00 0.00 H new ATOM 0 HA SER A 12 -3.930 -20.739 -10.086 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.959 -19.162 -11.867 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.199 -20.231 -12.493 1.00 0.00 H new ATOM 0 HG SER A 12 -3.904 -18.009 -12.429 1.00 0.00 H new ATOM 186 N SER A 13 -0.770 -21.331 -10.783 1.00 0.00 N ATOM 187 CA SER A 13 0.197 -22.465 -10.917 1.00 0.00 C ATOM 188 C SER A 13 1.610 -21.966 -10.624 1.00 0.00 C ATOM 189 O SER A 13 1.839 -20.780 -10.577 1.00 0.00 O ATOM 190 CB SER A 13 0.078 -22.922 -12.370 1.00 0.00 C ATOM 191 OG SER A 13 0.787 -24.143 -12.537 1.00 0.00 O ATOM 0 H SER A 13 -0.378 -20.408 -10.968 1.00 0.00 H new ATOM 0 HA SER A 13 -0.012 -23.279 -10.223 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.970 -23.057 -12.636 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.481 -22.160 -13.037 1.00 0.00 H new ATOM 0 HG SER A 13 0.712 -24.440 -13.468 1.00 0.00 H new ATOM 197 N ARG A 14 2.554 -22.858 -10.415 1.00 0.00 N ATOM 198 CA ARG A 14 3.963 -22.428 -10.110 1.00 0.00 C ATOM 199 C ARG A 14 4.000 -21.536 -8.869 1.00 0.00 C ATOM 200 O ARG A 14 4.956 -20.826 -8.641 1.00 0.00 O ATOM 201 CB ARG A 14 4.456 -21.684 -11.359 1.00 0.00 C ATOM 202 CG ARG A 14 5.924 -21.272 -11.166 1.00 0.00 C ATOM 203 CD ARG A 14 6.756 -21.764 -12.347 1.00 0.00 C ATOM 204 NE ARG A 14 8.181 -21.521 -11.956 1.00 0.00 N ATOM 205 CZ ARG A 14 9.159 -21.605 -12.838 1.00 0.00 C ATOM 206 NH1 ARG A 14 8.927 -21.901 -14.096 1.00 0.00 N ATOM 207 NH2 ARG A 14 10.386 -21.389 -12.451 1.00 0.00 N ATOM 0 H ARG A 14 2.410 -23.867 -10.442 1.00 0.00 H new ATOM 0 HA ARG A 14 4.606 -23.279 -9.887 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.359 -22.322 -12.237 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.840 -20.802 -11.536 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.999 -20.188 -11.082 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.310 -21.691 -10.237 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.576 -22.821 -12.541 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.501 -21.225 -13.259 1.00 0.00 H new ATOM 0 HE ARG A 14 8.400 -21.286 -10.988 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.972 -22.072 -14.412 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.701 -21.960 -14.757 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.580 -21.158 -11.477 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.151 -21.451 -13.123 1.00 0.00 H new ATOM 221 N GLY A 15 2.976 -21.581 -8.044 1.00 0.00 N ATOM 222 CA GLY A 15 2.966 -20.740 -6.808 1.00 0.00 C ATOM 223 C GLY A 15 3.143 -19.271 -7.197 1.00 0.00 C ATOM 224 O GLY A 15 3.912 -18.547 -6.591 1.00 0.00 O ATOM 0 H GLY A 15 2.150 -22.164 -8.176 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.028 -20.875 -6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.767 -21.050 -6.137 1.00 0.00 H new ATOM 228 N ILE A 16 2.443 -18.836 -8.215 1.00 0.00 N ATOM 229 CA ILE A 16 2.568 -17.426 -8.660 1.00 0.00 C ATOM 230 C ILE A 16 1.309 -16.673 -8.251 1.00 0.00 C ATOM 231 O ILE A 16 0.262 -16.828 -8.853 1.00 0.00 O ATOM 232 CB ILE A 16 2.673 -17.471 -10.189 1.00 0.00 C ATOM 233 CG1 ILE A 16 3.725 -18.497 -10.636 1.00 0.00 C ATOM 234 CG2 ILE A 16 3.047 -16.084 -10.709 1.00 0.00 C ATOM 235 CD1 ILE A 16 5.093 -18.140 -10.117 1.00 0.00 C ATOM 0 H ILE A 16 1.790 -19.404 -8.755 1.00 0.00 H new ATOM 0 HA ILE A 16 3.432 -16.928 -8.220 1.00 0.00 H new ATOM 0 HB ILE A 16 1.709 -17.772 -10.599 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.445 -19.488 -10.278 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.748 -18.546 -11.725 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.123 -16.111 -11.796 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.280 -15.367 -10.417 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.005 -15.783 -10.286 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.815 -18.886 -10.451 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.382 -17.160 -10.497 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.074 -18.116 -9.027 1.00 0.00 H new ATOM 247 N ALA A 17 1.400 -15.868 -7.234 1.00 0.00 N ATOM 248 CA ALA A 17 0.203 -15.105 -6.777 1.00 0.00 C ATOM 249 C ALA A 17 0.346 -13.630 -7.136 1.00 0.00 C ATOM 250 O ALA A 17 1.267 -12.963 -6.706 1.00 0.00 O ATOM 251 CB ALA A 17 0.161 -15.281 -5.262 1.00 0.00 C ATOM 0 H ALA A 17 2.251 -15.703 -6.697 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.711 -15.463 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.697 -14.744 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.073 -16.340 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.077 -14.884 -4.824 1.00 0.00 H new ATOM 257 N SER A 18 -0.572 -13.119 -7.909 1.00 0.00 N ATOM 258 CA SER A 18 -0.514 -11.681 -8.296 1.00 0.00 C ATOM 259 C SER A 18 -1.735 -10.962 -7.726 1.00 0.00 C ATOM 260 O SER A 18 -2.864 -11.325 -8.002 1.00 0.00 O ATOM 261 CB SER A 18 -0.543 -11.668 -9.825 1.00 0.00 C ATOM 262 OG SER A 18 0.435 -12.571 -10.320 1.00 0.00 O ATOM 0 H SER A 18 -1.363 -13.638 -8.291 1.00 0.00 H new ATOM 0 HA SER A 18 0.375 -11.178 -7.916 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.532 -11.952 -10.184 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.347 -10.662 -10.196 1.00 0.00 H new ATOM 0 HG SER A 18 0.418 -12.566 -11.300 1.00 0.00 H new ATOM 268 N PHE A 19 -1.517 -9.953 -6.928 1.00 0.00 N ATOM 269 CA PHE A 19 -2.660 -9.209 -6.326 1.00 0.00 C ATOM 270 C PHE A 19 -2.462 -7.708 -6.491 1.00 0.00 C ATOM 271 O PHE A 19 -1.380 -7.247 -6.803 1.00 0.00 O ATOM 272 CB PHE A 19 -2.677 -9.608 -4.850 1.00 0.00 C ATOM 273 CG PHE A 19 -1.356 -9.279 -4.194 1.00 0.00 C ATOM 274 CD1 PHE A 19 -0.288 -10.214 -4.257 1.00 0.00 C ATOM 275 CD2 PHE A 19 -1.183 -8.047 -3.508 1.00 0.00 C ATOM 276 CE1 PHE A 19 0.953 -9.919 -3.634 1.00 0.00 C ATOM 277 CE2 PHE A 19 0.061 -7.750 -2.886 1.00 0.00 C ATOM 278 CZ PHE A 19 1.128 -8.687 -2.949 1.00 0.00 C ATOM 0 H PHE A 19 -0.593 -9.610 -6.666 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.606 -9.450 -6.810 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.484 -9.086 -4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.879 -10.675 -4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.420 -11.150 -4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.995 -7.337 -3.459 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.764 -10.631 -3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.195 -6.813 -2.366 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.072 -8.462 -2.476 1.00 0.00 H new ATOM 288 N VAL A 20 -3.508 -6.948 -6.310 1.00 0.00 N ATOM 289 CA VAL A 20 -3.392 -5.471 -6.485 1.00 0.00 C ATOM 290 C VAL A 20 -3.794 -4.732 -5.212 1.00 0.00 C ATOM 291 O VAL A 20 -4.849 -4.964 -4.652 1.00 0.00 O ATOM 292 CB VAL A 20 -4.361 -5.112 -7.611 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.208 -3.630 -7.959 1.00 0.00 C ATOM 294 CG2 VAL A 20 -4.065 -5.952 -8.853 1.00 0.00 C ATOM 0 H VAL A 20 -4.435 -7.284 -6.049 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.365 -5.186 -6.711 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.379 -5.314 -7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.898 -3.372 -8.762 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.431 -3.025 -7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.186 -3.436 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.763 -5.686 -9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.045 -5.761 -9.187 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.176 -7.009 -8.612 1.00 0.00 H new ATOM 304 N CYS A 21 -2.973 -3.815 -4.779 1.00 0.00 N ATOM 305 CA CYS A 21 -3.306 -3.016 -3.570 1.00 0.00 C ATOM 306 C CYS A 21 -3.414 -1.549 -3.975 1.00 0.00 C ATOM 307 O CYS A 21 -2.573 -1.030 -4.683 1.00 0.00 O ATOM 308 CB CYS A 21 -2.155 -3.228 -2.593 1.00 0.00 C ATOM 309 SG CYS A 21 -2.567 -2.420 -1.029 1.00 0.00 S ATOM 0 H CYS A 21 -2.080 -3.585 -5.215 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.251 -3.313 -3.115 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.985 -4.293 -2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.232 -2.815 -3.000 1.00 0.00 H new ATOM 314 N GLU A 22 -4.455 -0.885 -3.568 1.00 0.00 N ATOM 315 CA GLU A 22 -4.629 0.538 -3.967 1.00 0.00 C ATOM 316 C GLU A 22 -4.262 1.495 -2.833 1.00 0.00 C ATOM 317 O GLU A 22 -4.614 1.293 -1.686 1.00 0.00 O ATOM 318 CB GLU A 22 -6.099 0.630 -4.353 1.00 0.00 C ATOM 319 CG GLU A 22 -6.452 2.057 -4.777 1.00 0.00 C ATOM 320 CD GLU A 22 -7.905 2.106 -5.256 1.00 0.00 C ATOM 321 OE1 GLU A 22 -8.362 1.118 -5.809 1.00 0.00 O ATOM 322 OE2 GLU A 22 -8.537 3.131 -5.061 1.00 0.00 O ATOM 0 H GLU A 22 -5.194 -1.265 -2.976 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.971 0.830 -4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.311 -0.061 -5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.722 0.330 -3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.311 2.741 -3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.785 2.386 -5.574 1.00 0.00 H new ATOM 329 N TYR A 23 -3.546 2.539 -3.166 1.00 0.00 N ATOM 330 CA TYR A 23 -3.127 3.533 -2.152 1.00 0.00 C ATOM 331 C TYR A 23 -3.537 4.934 -2.618 1.00 0.00 C ATOM 332 O TYR A 23 -4.107 5.103 -3.680 1.00 0.00 O ATOM 333 CB TYR A 23 -1.595 3.383 -2.059 1.00 0.00 C ATOM 334 CG TYR A 23 -0.915 3.881 -3.322 1.00 0.00 C ATOM 335 CD1 TYR A 23 -0.792 3.026 -4.450 1.00 0.00 C ATOM 336 CD2 TYR A 23 -0.393 5.204 -3.375 1.00 0.00 C ATOM 337 CE1 TYR A 23 -0.148 3.492 -5.629 1.00 0.00 C ATOM 338 CE2 TYR A 23 0.249 5.669 -4.551 1.00 0.00 C ATOM 339 CZ TYR A 23 0.372 4.814 -5.679 1.00 0.00 C ATOM 340 OH TYR A 23 0.997 5.267 -6.823 1.00 0.00 O ATOM 0 H TYR A 23 -3.233 2.741 -4.115 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.592 3.380 -1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.224 3.941 -1.199 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.339 2.336 -1.894 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.188 2.022 -4.412 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.486 5.855 -2.518 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.054 2.842 -6.486 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.644 6.673 -4.589 1.00 0.00 H new ATOM 0 HH TYR A 23 1.293 6.192 -6.690 1.00 0.00 H new ATOM 350 N ALA A 24 -3.249 5.927 -1.832 1.00 0.00 N ATOM 351 CA ALA A 24 -3.615 7.324 -2.212 1.00 0.00 C ATOM 352 C ALA A 24 -2.424 8.264 -2.008 1.00 0.00 C ATOM 353 O ALA A 24 -1.839 8.318 -0.943 1.00 0.00 O ATOM 354 CB ALA A 24 -4.763 7.701 -1.276 1.00 0.00 C ATOM 0 H ALA A 24 -2.772 5.836 -0.935 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.900 7.403 -3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.090 8.718 -1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.595 7.013 -1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.424 7.642 -0.242 1.00 0.00 H new ATOM 360 N SER A 25 -2.070 9.011 -3.024 1.00 0.00 N ATOM 361 CA SER A 25 -0.923 9.959 -2.903 1.00 0.00 C ATOM 362 C SER A 25 -1.384 11.387 -3.240 1.00 0.00 C ATOM 363 O SER A 25 -2.295 11.565 -4.025 1.00 0.00 O ATOM 364 CB SER A 25 0.105 9.477 -3.925 1.00 0.00 C ATOM 365 OG SER A 25 -0.440 9.595 -5.233 1.00 0.00 O ATOM 0 H SER A 25 -2.529 9.004 -3.935 1.00 0.00 H new ATOM 0 HA SER A 25 -0.512 9.982 -1.894 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.018 10.067 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.376 8.441 -3.724 1.00 0.00 H new ATOM 0 HG SER A 25 0.082 10.246 -5.747 1.00 0.00 H new ATOM 371 N PRO A 26 -0.751 12.367 -2.632 1.00 0.00 N ATOM 372 CA PRO A 26 -1.127 13.782 -2.890 1.00 0.00 C ATOM 373 C PRO A 26 -0.777 14.203 -4.323 1.00 0.00 C ATOM 374 O PRO A 26 -1.259 15.209 -4.810 1.00 0.00 O ATOM 375 CB PRO A 26 -0.305 14.565 -1.868 1.00 0.00 C ATOM 376 CG PRO A 26 0.860 13.684 -1.559 1.00 0.00 C ATOM 377 CD PRO A 26 0.365 12.267 -1.674 1.00 0.00 C ATOM 0 HA PRO A 26 -2.199 13.955 -2.794 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.020 15.523 -2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.888 14.779 -0.972 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.680 13.866 -2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.241 13.882 -0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.145 11.598 -2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.033 11.879 -0.711 1.00 0.00 H new ATOM 385 N GLY A 27 0.057 13.450 -5.003 1.00 0.00 N ATOM 386 CA GLY A 27 0.431 13.819 -6.401 1.00 0.00 C ATOM 387 C GLY A 27 1.245 12.691 -7.036 1.00 0.00 C ATOM 388 O GLY A 27 1.384 11.621 -6.474 1.00 0.00 O ATOM 0 H GLY A 27 0.492 12.598 -4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.467 14.007 -6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.011 14.742 -6.400 1.00 0.00 H new ATOM 392 N LYS A 28 1.787 12.928 -8.204 1.00 0.00 N ATOM 393 CA LYS A 28 2.599 11.878 -8.891 1.00 0.00 C ATOM 394 C LYS A 28 4.083 12.257 -8.854 1.00 0.00 C ATOM 395 O LYS A 28 4.456 13.364 -9.192 1.00 0.00 O ATOM 396 CB LYS A 28 2.083 11.862 -10.330 1.00 0.00 C ATOM 397 CG LYS A 28 2.780 10.746 -11.112 1.00 0.00 C ATOM 398 CD LYS A 28 2.302 10.760 -12.567 1.00 0.00 C ATOM 399 CE LYS A 28 1.216 9.699 -12.764 1.00 0.00 C ATOM 400 NZ LYS A 28 0.762 9.871 -14.172 1.00 0.00 N ATOM 0 H LYS A 28 1.701 13.808 -8.713 1.00 0.00 H new ATOM 0 HA LYS A 28 2.508 10.901 -8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.004 11.707 -10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.271 12.825 -10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.861 10.881 -11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.563 9.780 -10.657 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.912 11.745 -12.822 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.140 10.566 -13.237 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.608 8.696 -12.595 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.393 9.841 -12.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.016 9.178 -14.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.387 10.833 -14.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.565 9.723 -14.816 1.00 0.00 H new ATOM 414 N ALA A 29 4.928 11.345 -8.441 1.00 0.00 N ATOM 415 CA ALA A 29 6.389 11.649 -8.371 1.00 0.00 C ATOM 416 C ALA A 29 7.208 10.509 -8.988 1.00 0.00 C ATOM 417 O ALA A 29 6.667 9.533 -9.472 1.00 0.00 O ATOM 418 CB ALA A 29 6.692 11.775 -6.878 1.00 0.00 C ATOM 0 H ALA A 29 4.668 10.403 -8.149 1.00 0.00 H new ATOM 0 HA ALA A 29 6.646 12.553 -8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.750 11.999 -6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.092 12.579 -6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.451 10.837 -6.377 1.00 0.00 H new ATOM 424 N THR A 30 8.512 10.633 -8.968 1.00 0.00 N ATOM 425 CA THR A 30 9.388 9.566 -9.545 1.00 0.00 C ATOM 426 C THR A 30 9.567 8.398 -8.600 1.00 0.00 C ATOM 427 O THR A 30 10.104 7.386 -8.994 1.00 0.00 O ATOM 428 CB THR A 30 10.765 10.193 -9.735 1.00 0.00 C ATOM 429 OG1 THR A 30 11.073 11.043 -8.632 1.00 0.00 O ATOM 430 CG2 THR A 30 10.846 10.940 -11.053 1.00 0.00 C ATOM 0 H THR A 30 9.010 11.432 -8.575 1.00 0.00 H new ATOM 0 HA THR A 30 8.935 9.200 -10.466 1.00 0.00 H new ATOM 0 HB THR A 30 11.509 9.397 -9.769 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.960 11.440 -8.762 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.838 11.377 -11.163 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.661 10.249 -11.875 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.097 11.732 -11.069 1.00 0.00 H new ATOM 438 N GLU A 31 9.220 8.538 -7.351 1.00 0.00 N ATOM 439 CA GLU A 31 9.486 7.415 -6.411 1.00 0.00 C ATOM 440 C GLU A 31 8.247 7.019 -5.607 1.00 0.00 C ATOM 441 O GLU A 31 7.601 7.838 -4.981 1.00 0.00 O ATOM 442 CB GLU A 31 10.557 7.954 -5.450 1.00 0.00 C ATOM 443 CG GLU A 31 11.781 8.507 -6.214 1.00 0.00 C ATOM 444 CD GLU A 31 12.987 7.589 -6.003 1.00 0.00 C ATOM 445 OE1 GLU A 31 12.819 6.387 -6.113 1.00 0.00 O ATOM 446 OE2 GLU A 31 14.061 8.105 -5.739 1.00 0.00 O ATOM 0 H GLU A 31 8.774 9.362 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 31 9.793 6.524 -6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.128 8.742 -4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.877 7.158 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.553 8.583 -7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.014 9.513 -5.865 1.00 0.00 H new ATOM 453 N VAL A 32 7.963 5.750 -5.581 1.00 0.00 N ATOM 454 CA VAL A 32 6.825 5.229 -4.776 1.00 0.00 C ATOM 455 C VAL A 32 7.305 3.926 -4.140 1.00 0.00 C ATOM 456 O VAL A 32 7.125 2.854 -4.686 1.00 0.00 O ATOM 457 CB VAL A 32 5.678 4.984 -5.763 1.00 0.00 C ATOM 458 CG1 VAL A 32 4.485 4.362 -5.022 1.00 0.00 C ATOM 459 CG2 VAL A 32 5.253 6.316 -6.388 1.00 0.00 C ATOM 0 H VAL A 32 8.482 5.037 -6.094 1.00 0.00 H new ATOM 0 HA VAL A 32 6.487 5.906 -3.991 1.00 0.00 H new ATOM 0 HB VAL A 32 6.012 4.303 -6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.670 4.188 -5.725 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.788 3.415 -4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.149 5.041 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.437 6.144 -7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.920 6.996 -5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.099 6.757 -6.915 1.00 0.00 H new ATOM 469 N ARG A 33 7.966 4.024 -3.015 1.00 0.00 N ATOM 470 CA ARG A 33 8.523 2.800 -2.365 1.00 0.00 C ATOM 471 C ARG A 33 7.419 1.854 -1.923 1.00 0.00 C ATOM 472 O ARG A 33 6.640 2.157 -1.038 1.00 0.00 O ATOM 473 CB ARG A 33 9.314 3.300 -1.152 1.00 0.00 C ATOM 474 CG ARG A 33 10.088 2.131 -0.527 1.00 0.00 C ATOM 475 CD ARG A 33 11.509 2.582 -0.172 1.00 0.00 C ATOM 476 NE ARG A 33 12.158 1.383 0.447 1.00 0.00 N ATOM 477 CZ ARG A 33 13.296 1.482 1.105 1.00 0.00 C ATOM 478 NH1 ARG A 33 13.909 2.634 1.252 1.00 0.00 N ATOM 479 NH2 ARG A 33 13.827 0.408 1.624 1.00 0.00 N ATOM 0 H ARG A 33 8.144 4.897 -2.519 1.00 0.00 H new ATOM 0 HA ARG A 33 9.148 2.239 -3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.005 4.087 -1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.637 3.736 -0.417 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.574 1.779 0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.125 1.293 -1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.051 2.909 -1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.494 3.423 0.521 1.00 0.00 H new ATOM 0 HE ARG A 33 11.710 0.471 0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.505 3.481 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.789 2.682 1.766 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.362 -0.493 1.518 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.707 0.470 2.136 1.00 0.00 H new ATOM 493 N VAL A 34 7.373 0.690 -2.517 1.00 0.00 N ATOM 494 CA VAL A 34 6.354 -0.307 -2.121 1.00 0.00 C ATOM 495 C VAL A 34 7.061 -1.541 -1.565 1.00 0.00 C ATOM 496 O VAL A 34 8.153 -1.881 -1.982 1.00 0.00 O ATOM 497 CB VAL A 34 5.571 -0.658 -3.387 1.00 0.00 C ATOM 498 CG1 VAL A 34 4.829 0.584 -3.890 1.00 0.00 C ATOM 499 CG2 VAL A 34 6.524 -1.172 -4.480 1.00 0.00 C ATOM 0 H VAL A 34 8.003 0.393 -3.262 1.00 0.00 H new ATOM 0 HA VAL A 34 5.682 0.075 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 34 4.852 -1.443 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.271 0.334 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.139 0.932 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.548 1.371 -4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.952 -1.418 -5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.256 -0.400 -4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.040 -2.063 -4.123 1.00 0.00 H new ATOM 509 N THR A 35 6.454 -2.198 -0.624 1.00 0.00 N ATOM 510 CA THR A 35 7.087 -3.409 -0.020 1.00 0.00 C ATOM 511 C THR A 35 6.030 -4.435 0.393 1.00 0.00 C ATOM 512 O THR A 35 4.998 -4.095 0.941 1.00 0.00 O ATOM 513 CB THR A 35 7.840 -2.887 1.214 1.00 0.00 C ATOM 514 OG1 THR A 35 8.799 -1.923 0.805 1.00 0.00 O ATOM 515 CG2 THR A 35 8.552 -4.044 1.927 1.00 0.00 C ATOM 0 H THR A 35 5.541 -1.952 -0.241 1.00 0.00 H new ATOM 0 HA THR A 35 7.746 -3.915 -0.725 1.00 0.00 H new ATOM 0 HB THR A 35 7.127 -2.432 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.280 -1.587 1.590 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.082 -3.662 2.800 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.817 -4.784 2.244 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.264 -4.509 1.245 1.00 0.00 H new ATOM 523 N VAL A 36 6.308 -5.691 0.169 1.00 0.00 N ATOM 524 CA VAL A 36 5.360 -6.763 0.580 1.00 0.00 C ATOM 525 C VAL A 36 5.912 -7.401 1.862 1.00 0.00 C ATOM 526 O VAL A 36 7.095 -7.686 1.940 1.00 0.00 O ATOM 527 CB VAL A 36 5.340 -7.754 -0.590 1.00 0.00 C ATOM 528 CG1 VAL A 36 4.466 -8.955 -0.231 1.00 0.00 C ATOM 529 CG2 VAL A 36 4.769 -7.063 -1.838 1.00 0.00 C ATOM 0 H VAL A 36 7.159 -6.022 -0.285 1.00 0.00 H new ATOM 0 HA VAL A 36 4.350 -6.412 0.789 1.00 0.00 H new ATOM 0 HB VAL A 36 6.356 -8.093 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.453 -9.658 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.870 -9.448 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.450 -8.617 -0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.755 -7.768 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.754 -6.723 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.393 -6.208 -2.098 1.00 0.00 H new ATOM 539 N LEU A 37 5.103 -7.584 2.888 1.00 0.00 N ATOM 540 CA LEU A 37 5.656 -8.159 4.155 1.00 0.00 C ATOM 541 C LEU A 37 4.942 -9.443 4.559 1.00 0.00 C ATOM 542 O LEU A 37 3.909 -9.791 4.032 1.00 0.00 O ATOM 543 CB LEU A 37 5.378 -7.102 5.224 1.00 0.00 C ATOM 544 CG LEU A 37 6.060 -5.781 4.866 1.00 0.00 C ATOM 545 CD1 LEU A 37 5.178 -4.613 5.327 1.00 0.00 C ATOM 546 CD2 LEU A 37 7.423 -5.706 5.566 1.00 0.00 C ATOM 0 H LEU A 37 4.107 -7.364 2.900 1.00 0.00 H new ATOM 0 HA LEU A 37 6.712 -8.400 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.303 -6.948 5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.737 -7.452 6.192 1.00 0.00 H new ATOM 0 HG LEU A 37 6.204 -5.722 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.662 -3.670 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.210 -4.670 4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.035 -4.669 6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.911 -4.765 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.281 -5.762 6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.046 -6.538 5.239 1.00 0.00 H new ATOM 558 N ARG A 38 5.483 -10.116 5.537 1.00 0.00 N ATOM 559 CA ARG A 38 4.841 -11.360 6.054 1.00 0.00 C ATOM 560 C ARG A 38 4.424 -11.129 7.504 1.00 0.00 C ATOM 561 O ARG A 38 5.262 -10.914 8.361 1.00 0.00 O ATOM 562 CB ARG A 38 5.916 -12.445 5.989 1.00 0.00 C ATOM 563 CG ARG A 38 6.163 -12.850 4.538 1.00 0.00 C ATOM 564 CD ARG A 38 5.248 -14.023 4.182 1.00 0.00 C ATOM 565 NE ARG A 38 5.698 -15.142 5.068 1.00 0.00 N ATOM 566 CZ ARG A 38 4.904 -16.154 5.359 1.00 0.00 C ATOM 567 NH1 ARG A 38 3.685 -16.235 4.878 1.00 0.00 N ATOM 568 NH2 ARG A 38 5.344 -17.102 6.140 1.00 0.00 N ATOM 0 H ARG A 38 6.351 -9.855 6.005 1.00 0.00 H new ATOM 0 HA ARG A 38 3.959 -11.642 5.479 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.841 -12.079 6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.603 -13.313 6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.969 -12.007 3.874 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.207 -13.132 4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.201 -13.776 4.358 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.340 -14.291 3.129 1.00 0.00 H new ATOM 0 HE ARG A 38 6.641 -15.121 5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.330 -15.503 4.262 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.093 -17.030 5.120 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.291 -17.054 6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.741 -17.891 6.374 1.00 0.00 H new ATOM 582 N GLN A 39 3.147 -11.156 7.792 1.00 0.00 N ATOM 583 CA GLN A 39 2.710 -10.919 9.198 1.00 0.00 C ATOM 584 C GLN A 39 2.330 -12.224 9.884 1.00 0.00 C ATOM 585 O GLN A 39 1.700 -13.093 9.312 1.00 0.00 O ATOM 586 CB GLN A 39 1.503 -10.003 9.098 1.00 0.00 C ATOM 587 CG GLN A 39 1.012 -9.615 10.493 1.00 0.00 C ATOM 588 CD GLN A 39 -0.418 -9.098 10.371 1.00 0.00 C ATOM 589 OE1 GLN A 39 -1.332 -9.891 9.885 1.00 0.00 O flip ATOM 590 NE2 GLN A 39 -0.706 -7.968 10.713 1.00 0.00 N flip ATOM 0 H GLN A 39 2.398 -11.330 7.122 1.00 0.00 H new ATOM 0 HA GLN A 39 3.511 -10.479 9.793 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.764 -9.107 8.535 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.704 -10.502 8.550 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.049 -10.475 11.161 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.657 -8.849 10.923 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.012 -7.351 11.093 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.666 -7.636 10.620 1.00 0.00 H new ATOM 599 N ALA A 40 2.703 -12.340 11.121 1.00 0.00 N ATOM 600 CA ALA A 40 2.376 -13.556 11.910 1.00 0.00 C ATOM 601 C ALA A 40 2.022 -13.139 13.336 1.00 0.00 C ATOM 602 O ALA A 40 2.431 -12.088 13.795 1.00 0.00 O ATOM 603 CB ALA A 40 3.654 -14.398 11.897 1.00 0.00 C ATOM 0 H ALA A 40 3.231 -11.631 11.630 1.00 0.00 H new ATOM 0 HA ALA A 40 1.530 -14.112 11.505 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.491 -15.316 12.462 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.916 -14.646 10.868 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.467 -13.832 12.352 1.00 0.00 H new ATOM 609 N ASP A 41 1.256 -13.935 14.036 1.00 0.00 N ATOM 610 CA ASP A 41 0.885 -13.569 15.437 1.00 0.00 C ATOM 611 C ASP A 41 2.141 -13.411 16.293 1.00 0.00 C ATOM 612 O ASP A 41 2.268 -12.479 17.065 1.00 0.00 O ATOM 613 CB ASP A 41 0.026 -14.720 15.945 1.00 0.00 C ATOM 614 CG ASP A 41 -1.343 -14.697 15.257 1.00 0.00 C ATOM 615 OD1 ASP A 41 -1.781 -13.622 14.879 1.00 0.00 O ATOM 616 OD2 ASP A 41 -1.933 -15.756 15.125 1.00 0.00 O ATOM 0 H ASP A 41 0.872 -14.819 13.701 1.00 0.00 H new ATOM 0 HA ASP A 41 0.350 -12.621 15.483 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.524 -15.670 15.750 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.099 -14.642 17.025 1.00 0.00 H new ATOM 621 N SER A 42 3.071 -14.322 16.157 1.00 0.00 N ATOM 622 CA SER A 42 4.330 -14.238 16.957 1.00 0.00 C ATOM 623 C SER A 42 5.207 -13.069 16.488 1.00 0.00 C ATOM 624 O SER A 42 5.763 -12.348 17.297 1.00 0.00 O ATOM 625 CB SER A 42 5.045 -15.568 16.715 1.00 0.00 C ATOM 626 OG SER A 42 4.325 -16.611 17.360 1.00 0.00 O ATOM 0 H SER A 42 3.012 -15.121 15.526 1.00 0.00 H new ATOM 0 HA SER A 42 4.123 -14.064 18.013 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.116 -15.767 15.646 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.064 -15.522 17.099 1.00 0.00 H new ATOM 0 HG SER A 42 4.779 -17.466 17.206 1.00 0.00 H new ATOM 632 N GLN A 43 5.360 -12.888 15.194 1.00 0.00 N ATOM 633 CA GLN A 43 6.227 -11.787 14.691 1.00 0.00 C ATOM 634 C GLN A 43 5.933 -11.483 13.208 1.00 0.00 C ATOM 635 O GLN A 43 5.368 -12.292 12.495 1.00 0.00 O ATOM 636 CB GLN A 43 7.638 -12.354 14.873 1.00 0.00 C ATOM 637 CG GLN A 43 8.682 -11.361 14.376 1.00 0.00 C ATOM 638 CD GLN A 43 8.791 -10.179 15.345 1.00 0.00 C ATOM 639 OE1 GLN A 43 7.923 -9.965 16.168 1.00 0.00 O ATOM 640 NE2 GLN A 43 9.835 -9.398 15.284 1.00 0.00 N ATOM 0 H GLN A 43 4.920 -13.458 14.471 1.00 0.00 H new ATOM 0 HA GLN A 43 6.073 -10.843 15.214 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.813 -12.578 15.925 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.732 -13.293 14.327 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.649 -11.855 14.283 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.410 -11.003 13.383 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.565 -9.575 14.594 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.921 -8.610 15.926 1.00 0.00 H new ATOM 649 N VAL A 44 6.332 -10.323 12.744 1.00 0.00 N ATOM 650 CA VAL A 44 6.113 -9.949 11.311 1.00 0.00 C ATOM 651 C VAL A 44 7.481 -9.731 10.642 1.00 0.00 C ATOM 652 O VAL A 44 8.394 -9.216 11.260 1.00 0.00 O ATOM 653 CB VAL A 44 5.314 -8.642 11.352 1.00 0.00 C ATOM 654 CG1 VAL A 44 5.030 -8.164 9.924 1.00 0.00 C ATOM 655 CG2 VAL A 44 3.989 -8.869 12.088 1.00 0.00 C ATOM 0 H VAL A 44 6.805 -9.613 13.303 1.00 0.00 H new ATOM 0 HA VAL A 44 5.584 -10.716 10.746 1.00 0.00 H new ATOM 0 HB VAL A 44 5.895 -7.884 11.878 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.462 -7.234 9.958 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.972 -7.995 9.403 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.454 -8.923 9.394 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.424 -7.937 12.115 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.409 -9.630 11.567 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.191 -9.201 13.106 1.00 0.00 H new ATOM 665 N THR A 45 7.642 -10.135 9.402 1.00 0.00 N ATOM 666 CA THR A 45 8.972 -9.962 8.725 1.00 0.00 C ATOM 667 C THR A 45 8.831 -9.298 7.347 1.00 0.00 C ATOM 668 O THR A 45 7.773 -9.294 6.749 1.00 0.00 O ATOM 669 CB THR A 45 9.526 -11.381 8.575 1.00 0.00 C ATOM 670 OG1 THR A 45 8.633 -12.154 7.786 1.00 0.00 O ATOM 671 CG2 THR A 45 9.682 -12.024 9.955 1.00 0.00 C ATOM 0 H THR A 45 6.918 -10.573 8.833 1.00 0.00 H new ATOM 0 HA THR A 45 9.627 -9.312 9.305 1.00 0.00 H new ATOM 0 HB THR A 45 10.500 -11.340 8.088 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.987 -13.063 7.687 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.077 -13.034 9.843 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.370 -11.430 10.557 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.711 -12.066 10.449 1.00 0.00 H new ATOM 679 N GLU A 46 9.910 -8.741 6.845 1.00 0.00 N ATOM 680 CA GLU A 46 9.881 -8.072 5.507 1.00 0.00 C ATOM 681 C GLU A 46 10.169 -9.080 4.393 1.00 0.00 C ATOM 682 O GLU A 46 10.743 -10.127 4.630 1.00 0.00 O ATOM 683 CB GLU A 46 10.986 -7.016 5.567 1.00 0.00 C ATOM 684 CG GLU A 46 10.602 -5.923 6.566 1.00 0.00 C ATOM 685 CD GLU A 46 11.816 -5.035 6.850 1.00 0.00 C ATOM 686 OE1 GLU A 46 12.923 -5.548 6.824 1.00 0.00 O ATOM 687 OE2 GLU A 46 11.618 -3.855 7.090 1.00 0.00 O ATOM 0 H GLU A 46 10.817 -8.722 7.311 1.00 0.00 H new ATOM 0 HA GLU A 46 8.905 -7.636 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.928 -7.478 5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.141 -6.581 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.785 -5.322 6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.243 -6.373 7.492 1.00 0.00 H new ATOM 694 N VAL A 47 9.767 -8.776 3.180 1.00 0.00 N ATOM 695 CA VAL A 47 10.012 -9.727 2.056 1.00 0.00 C ATOM 696 C VAL A 47 10.445 -8.989 0.771 1.00 0.00 C ATOM 697 O VAL A 47 11.621 -8.904 0.475 1.00 0.00 O ATOM 698 CB VAL A 47 8.671 -10.447 1.875 1.00 0.00 C ATOM 699 CG1 VAL A 47 8.735 -11.389 0.678 1.00 0.00 C ATOM 700 CG2 VAL A 47 8.365 -11.264 3.129 1.00 0.00 C ATOM 0 H VAL A 47 9.283 -7.915 2.924 1.00 0.00 H new ATOM 0 HA VAL A 47 10.826 -10.420 2.268 1.00 0.00 H new ATOM 0 HB VAL A 47 7.891 -9.704 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.776 -11.894 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.957 -10.818 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 47 9.518 -12.130 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.412 -11.778 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.155 -11.998 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.309 -10.600 3.991 1.00 0.00 H new ATOM 710 N CYS A 48 9.511 -8.483 -0.005 1.00 0.00 N ATOM 711 CA CYS A 48 9.884 -7.789 -1.284 1.00 0.00 C ATOM 712 C CYS A 48 9.752 -6.269 -1.165 1.00 0.00 C ATOM 713 O CYS A 48 8.931 -5.768 -0.420 1.00 0.00 O ATOM 714 CB CYS A 48 8.911 -8.347 -2.323 1.00 0.00 C ATOM 715 SG CYS A 48 9.341 -10.077 -2.667 1.00 0.00 S ATOM 0 H CYS A 48 8.511 -8.520 0.191 1.00 0.00 H new ATOM 0 HA CYS A 48 10.925 -7.967 -1.552 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.887 -8.280 -1.954 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.959 -7.758 -3.239 1.00 0.00 H new ATOM 720 N ALA A 49 10.569 -5.525 -1.892 1.00 0.00 N ATOM 721 CA ALA A 49 10.488 -4.034 -1.801 1.00 0.00 C ATOM 722 C ALA A 49 11.210 -3.357 -2.975 1.00 0.00 C ATOM 723 O ALA A 49 12.224 -3.828 -3.448 1.00 0.00 O ATOM 724 CB ALA A 49 11.184 -3.699 -0.483 1.00 0.00 C ATOM 0 H ALA A 49 11.275 -5.886 -2.533 1.00 0.00 H new ATOM 0 HA ALA A 49 9.458 -3.680 -1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.173 -2.620 -0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.661 -4.187 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.215 -4.051 -0.516 1.00 0.00 H new ATOM 730 N ALA A 50 10.693 -2.241 -3.430 1.00 0.00 N ATOM 731 CA ALA A 50 11.336 -1.496 -4.559 1.00 0.00 C ATOM 732 C ALA A 50 10.645 -0.143 -4.743 1.00 0.00 C ATOM 733 O ALA A 50 9.507 0.030 -4.347 1.00 0.00 O ATOM 734 CB ALA A 50 11.127 -2.365 -5.801 1.00 0.00 C ATOM 0 H ALA A 50 9.844 -1.810 -3.064 1.00 0.00 H new ATOM 0 HA ALA A 50 12.394 -1.308 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.575 -1.877 -6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.597 -3.336 -5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.060 -2.502 -5.974 1.00 0.00 H new ATOM 740 N THR A 51 11.309 0.813 -5.353 1.00 0.00 N ATOM 741 CA THR A 51 10.656 2.140 -5.567 1.00 0.00 C ATOM 742 C THR A 51 10.090 2.201 -6.978 1.00 0.00 C ATOM 743 O THR A 51 10.829 2.266 -7.942 1.00 0.00 O ATOM 744 CB THR A 51 11.753 3.199 -5.393 1.00 0.00 C ATOM 745 OG1 THR A 51 12.600 2.832 -4.312 1.00 0.00 O ATOM 746 CG2 THR A 51 11.095 4.543 -5.083 1.00 0.00 C ATOM 0 H THR A 51 12.262 0.731 -5.707 1.00 0.00 H new ATOM 0 HA THR A 51 9.839 2.305 -4.864 1.00 0.00 H new ATOM 0 HB THR A 51 12.343 3.273 -6.306 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.909 3.639 -3.850 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.865 5.304 -4.957 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.437 4.824 -5.905 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.513 4.460 -4.165 1.00 0.00 H new ATOM 754 N TYR A 52 8.787 2.185 -7.111 1.00 0.00 N ATOM 755 CA TYR A 52 8.192 2.250 -8.470 1.00 0.00 C ATOM 756 C TYR A 52 8.450 3.638 -9.043 1.00 0.00 C ATOM 757 O TYR A 52 8.112 4.640 -8.437 1.00 0.00 O ATOM 758 CB TYR A 52 6.695 2.003 -8.285 1.00 0.00 C ATOM 759 CG TYR A 52 6.098 1.633 -9.618 1.00 0.00 C ATOM 760 CD1 TYR A 52 6.233 0.307 -10.102 1.00 0.00 C ATOM 761 CD2 TYR A 52 5.417 2.608 -10.392 1.00 0.00 C ATOM 762 CE1 TYR A 52 5.687 -0.048 -11.366 1.00 0.00 C ATOM 763 CE2 TYR A 52 4.868 2.256 -11.656 1.00 0.00 C ATOM 764 CZ TYR A 52 5.004 0.927 -12.143 1.00 0.00 C ATOM 765 OH TYR A 52 4.474 0.584 -13.370 1.00 0.00 O ATOM 0 H TYR A 52 8.119 2.130 -6.342 1.00 0.00 H new ATOM 0 HA TYR A 52 8.617 1.517 -9.156 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.530 1.204 -7.562 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.211 2.896 -7.889 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.751 -0.434 -9.510 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.316 3.617 -10.021 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.791 -1.057 -11.735 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.348 2.997 -12.245 1.00 0.00 H new ATOM 0 HH TYR A 52 3.496 0.622 -13.326 1.00 0.00 H new ATOM 775 N MET A 53 9.069 3.703 -10.189 1.00 0.00 N ATOM 776 CA MET A 53 9.377 5.028 -10.798 1.00 0.00 C ATOM 777 C MET A 53 8.538 5.214 -12.059 1.00 0.00 C ATOM 778 O MET A 53 9.015 5.707 -13.062 1.00 0.00 O ATOM 779 CB MET A 53 10.865 4.976 -11.167 1.00 0.00 C ATOM 780 CG MET A 53 11.700 4.594 -9.942 1.00 0.00 C ATOM 781 SD MET A 53 11.373 5.758 -8.603 1.00 0.00 S ATOM 782 CE MET A 53 12.789 6.828 -8.927 1.00 0.00 C ATOM 0 H MET A 53 9.375 2.895 -10.731 1.00 0.00 H new ATOM 0 HA MET A 53 9.157 5.853 -10.120 1.00 0.00 H new ATOM 0 HB2 MET A 53 11.024 4.251 -11.965 1.00 0.00 H new ATOM 0 HB3 MET A 53 11.187 5.945 -11.548 1.00 0.00 H new ATOM 0 HG2 MET A 53 11.456 3.580 -9.624 1.00 0.00 H new ATOM 0 HG3 MET A 53 12.760 4.603 -10.195 1.00 0.00 H new ATOM 0 HE1 MET A 53 12.550 7.849 -8.628 1.00 0.00 H new ATOM 0 HE2 MET A 53 13.649 6.475 -8.358 1.00 0.00 H new ATOM 0 HE3 MET A 53 13.025 6.807 -9.991 1.00 0.00 H new ATOM 792 N MET A 54 7.300 4.784 -12.025 1.00 0.00 N ATOM 793 CA MET A 54 6.411 4.888 -13.227 1.00 0.00 C ATOM 794 C MET A 54 7.039 4.101 -14.379 1.00 0.00 C ATOM 795 O MET A 54 6.951 4.478 -15.532 1.00 0.00 O ATOM 796 CB MET A 54 6.292 6.383 -13.566 1.00 0.00 C ATOM 797 CG MET A 54 5.710 7.130 -12.365 1.00 0.00 C ATOM 798 SD MET A 54 4.026 6.545 -12.052 1.00 0.00 S ATOM 799 CE MET A 54 4.097 6.602 -10.245 1.00 0.00 C ATOM 0 H MET A 54 6.862 4.361 -11.207 1.00 0.00 H new ATOM 0 HA MET A 54 5.420 4.472 -13.044 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.271 6.789 -13.821 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.653 6.520 -14.438 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.333 6.968 -11.485 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.704 8.203 -12.558 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.143 6.275 -9.833 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.890 5.943 -9.891 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.301 7.622 -9.921 1.00 0.00 H new ATOM 809 N GLY A 55 7.676 3.003 -14.057 1.00 0.00 N ATOM 810 CA GLY A 55 8.327 2.163 -15.103 1.00 0.00 C ATOM 811 C GLY A 55 8.287 0.695 -14.668 1.00 0.00 C ATOM 812 O GLY A 55 7.858 0.376 -13.575 1.00 0.00 O ATOM 0 H GLY A 55 7.772 2.651 -13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.814 2.286 -16.057 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.358 2.482 -15.253 1.00 0.00 H new ATOM 816 N ASN A 56 8.721 -0.196 -15.520 1.00 0.00 N ATOM 817 CA ASN A 56 8.702 -1.654 -15.172 1.00 0.00 C ATOM 818 C ASN A 56 9.894 -2.054 -14.303 1.00 0.00 C ATOM 819 O ASN A 56 9.893 -3.093 -13.669 1.00 0.00 O ATOM 820 CB ASN A 56 8.767 -2.373 -16.515 1.00 0.00 C ATOM 821 CG ASN A 56 8.501 -3.866 -16.314 1.00 0.00 C ATOM 822 OD1 ASN A 56 9.257 -4.545 -15.649 1.00 0.00 O ATOM 823 ND2 ASN A 56 7.451 -4.409 -16.866 1.00 0.00 N ATOM 0 H ASN A 56 9.090 0.021 -16.446 1.00 0.00 H new ATOM 0 HA ASN A 56 7.814 -1.908 -14.593 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.031 -1.952 -17.200 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.747 -2.226 -16.970 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.265 -5.404 -16.739 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.816 -3.839 -17.425 1.00 0.00 H new ATOM 830 N GLU A 57 10.909 -1.255 -14.299 1.00 0.00 N ATOM 831 CA GLU A 57 12.136 -1.581 -13.503 1.00 0.00 C ATOM 832 C GLU A 57 11.947 -1.286 -12.004 1.00 0.00 C ATOM 833 O GLU A 57 11.623 -0.180 -11.613 1.00 0.00 O ATOM 834 CB GLU A 57 13.248 -0.715 -14.106 1.00 0.00 C ATOM 835 CG GLU A 57 12.957 0.755 -13.838 1.00 0.00 C ATOM 836 CD GLU A 57 13.844 1.631 -14.724 1.00 0.00 C ATOM 837 OE1 GLU A 57 15.054 1.527 -14.605 1.00 0.00 O ATOM 838 OE2 GLU A 57 13.299 2.392 -15.507 1.00 0.00 O ATOM 0 H GLU A 57 10.954 -0.376 -14.815 1.00 0.00 H new ATOM 0 HA GLU A 57 12.372 -2.644 -13.557 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.210 -0.990 -13.674 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.318 -0.892 -15.179 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.907 0.969 -14.036 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.137 0.985 -12.788 1.00 0.00 H new ATOM 845 N LEU A 58 12.168 -2.272 -11.169 1.00 0.00 N ATOM 846 CA LEU A 58 12.034 -2.079 -9.697 1.00 0.00 C ATOM 847 C LEU A 58 13.270 -2.657 -9.000 1.00 0.00 C ATOM 848 O LEU A 58 13.894 -3.574 -9.503 1.00 0.00 O ATOM 849 CB LEU A 58 10.781 -2.867 -9.311 1.00 0.00 C ATOM 850 CG LEU A 58 9.555 -2.255 -9.990 1.00 0.00 C ATOM 851 CD1 LEU A 58 8.366 -3.207 -9.848 1.00 0.00 C ATOM 852 CD2 LEU A 58 9.215 -0.917 -9.326 1.00 0.00 C ATOM 0 H LEU A 58 12.439 -3.214 -11.452 1.00 0.00 H new ATOM 0 HA LEU A 58 11.955 -1.031 -9.409 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.890 -3.910 -9.608 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.652 -2.856 -8.229 1.00 0.00 H new ATOM 0 HG LEU A 58 9.770 -2.093 -11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.492 -2.772 -10.332 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.605 -4.160 -10.320 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.153 -3.368 -8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.341 -0.482 -9.811 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.001 -1.079 -8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.061 -0.237 -9.424 1.00 0.00 H new ATOM 864 N THR A 59 13.636 -2.134 -7.856 1.00 0.00 N ATOM 865 CA THR A 59 14.832 -2.650 -7.143 1.00 0.00 C ATOM 866 C THR A 59 14.463 -3.835 -6.236 1.00 0.00 C ATOM 867 O THR A 59 14.048 -3.665 -5.108 1.00 0.00 O ATOM 868 CB THR A 59 15.313 -1.461 -6.320 1.00 0.00 C ATOM 869 OG1 THR A 59 14.259 -0.998 -5.492 1.00 0.00 O ATOM 870 CG2 THR A 59 15.764 -0.337 -7.256 1.00 0.00 C ATOM 0 H THR A 59 13.152 -1.368 -7.388 1.00 0.00 H new ATOM 0 HA THR A 59 15.597 -3.024 -7.824 1.00 0.00 H new ATOM 0 HB THR A 59 16.152 -1.769 -5.697 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.570 -0.235 -4.962 1.00 0.00 H new ATOM 0 HG21 THR A 59 16.108 0.512 -6.666 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.578 -0.694 -7.887 1.00 0.00 H new ATOM 0 HG23 THR A 59 14.928 -0.028 -7.883 1.00 0.00 H new ATOM 878 N PHE A 60 14.636 -5.032 -6.731 1.00 0.00 N ATOM 879 CA PHE A 60 14.327 -6.260 -5.929 1.00 0.00 C ATOM 880 C PHE A 60 15.639 -7.036 -5.677 1.00 0.00 C ATOM 881 O PHE A 60 16.103 -7.739 -6.556 1.00 0.00 O ATOM 882 CB PHE A 60 13.428 -7.105 -6.846 1.00 0.00 C ATOM 883 CG PHE A 60 12.084 -6.447 -7.128 1.00 0.00 C ATOM 884 CD1 PHE A 60 11.409 -5.673 -6.138 1.00 0.00 C ATOM 885 CD2 PHE A 60 11.470 -6.656 -8.394 1.00 0.00 C ATOM 886 CE1 PHE A 60 10.130 -5.115 -6.420 1.00 0.00 C ATOM 887 CE2 PHE A 60 10.197 -6.089 -8.676 1.00 0.00 C ATOM 888 CZ PHE A 60 9.527 -5.321 -7.688 1.00 0.00 C ATOM 0 H PHE A 60 14.984 -5.217 -7.672 1.00 0.00 H new ATOM 0 HA PHE A 60 13.861 -6.030 -4.971 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.945 -7.283 -7.789 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.261 -8.079 -6.385 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.868 -5.510 -5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 60 11.973 -7.248 -9.144 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.618 -4.534 -5.668 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.740 -6.243 -9.642 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.558 -4.893 -7.901 1.00 0.00 H new ATOM 898 N LEU A 61 16.259 -6.912 -4.516 1.00 0.00 N ATOM 899 CA LEU A 61 17.553 -7.652 -4.292 1.00 0.00 C ATOM 900 C LEU A 61 17.646 -8.364 -2.922 1.00 0.00 C ATOM 901 O LEU A 61 18.660 -8.970 -2.626 1.00 0.00 O ATOM 902 CB LEU A 61 18.632 -6.572 -4.387 1.00 0.00 C ATOM 903 CG LEU A 61 18.654 -5.985 -5.800 1.00 0.00 C ATOM 904 CD1 LEU A 61 19.640 -4.817 -5.852 1.00 0.00 C ATOM 905 CD2 LEU A 61 19.096 -7.064 -6.793 1.00 0.00 C ATOM 0 H LEU A 61 15.934 -6.345 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 61 17.654 -8.452 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 61 18.437 -5.785 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.606 -6.996 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 61 17.656 -5.633 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.656 -4.399 -6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 61 19.331 -4.048 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.637 -5.171 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.112 -6.647 -7.800 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.094 -7.414 -6.529 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.397 -7.900 -6.757 1.00 0.00 H new ATOM 917 N ASP A 62 16.645 -8.285 -2.075 1.00 0.00 N ATOM 918 CA ASP A 62 16.757 -8.954 -0.726 1.00 0.00 C ATOM 919 C ASP A 62 15.824 -10.171 -0.582 1.00 0.00 C ATOM 920 O ASP A 62 14.647 -10.101 -0.836 1.00 0.00 O ATOM 921 CB ASP A 62 16.370 -7.867 0.282 1.00 0.00 C ATOM 922 CG ASP A 62 16.679 -8.332 1.713 1.00 0.00 C ATOM 923 OD1 ASP A 62 16.947 -9.510 1.899 1.00 0.00 O ATOM 924 OD2 ASP A 62 16.636 -7.499 2.602 1.00 0.00 O ATOM 0 H ASP A 62 15.767 -7.796 -2.250 1.00 0.00 H new ATOM 0 HA ASP A 62 17.763 -9.345 -0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 62 16.916 -6.949 0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.309 -7.636 0.189 1.00 0.00 H new ATOM 929 N ASP A 63 16.350 -11.289 -0.143 1.00 0.00 N ATOM 930 CA ASP A 63 15.501 -12.517 0.051 1.00 0.00 C ATOM 931 C ASP A 63 14.715 -12.858 -1.220 1.00 0.00 C ATOM 932 O ASP A 63 13.543 -13.173 -1.160 1.00 0.00 O ATOM 933 CB ASP A 63 14.528 -12.173 1.190 1.00 0.00 C ATOM 934 CG ASP A 63 15.291 -12.081 2.516 1.00 0.00 C ATOM 935 OD1 ASP A 63 16.309 -12.743 2.643 1.00 0.00 O ATOM 936 OD2 ASP A 63 14.843 -11.348 3.382 1.00 0.00 O ATOM 0 H ASP A 63 17.335 -11.409 0.092 1.00 0.00 H new ATOM 0 HA ASP A 63 16.119 -13.385 0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.029 -11.227 0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.751 -12.934 1.259 1.00 0.00 H new ATOM 941 N SER A 64 15.352 -12.803 -2.369 1.00 0.00 N ATOM 942 CA SER A 64 14.673 -13.125 -3.688 1.00 0.00 C ATOM 943 C SER A 64 13.681 -12.028 -4.122 1.00 0.00 C ATOM 944 O SER A 64 13.631 -11.675 -5.283 1.00 0.00 O ATOM 945 CB SER A 64 13.949 -14.470 -3.512 1.00 0.00 C ATOM 946 OG SER A 64 13.668 -15.021 -4.792 1.00 0.00 O ATOM 0 H SER A 64 16.334 -12.544 -2.458 1.00 0.00 H new ATOM 0 HA SER A 64 15.423 -13.180 -4.477 1.00 0.00 H new ATOM 0 HB2 SER A 64 14.568 -15.157 -2.935 1.00 0.00 H new ATOM 0 HB3 SER A 64 13.024 -14.328 -2.953 1.00 0.00 H new ATOM 0 HG SER A 64 13.208 -15.879 -4.685 1.00 0.00 H new ATOM 952 N ILE A 67 12.887 -11.490 -3.216 1.00 0.00 N ATOM 953 CA ILE A 67 11.897 -10.418 -3.580 1.00 0.00 C ATOM 954 C ILE A 67 10.887 -10.943 -4.606 1.00 0.00 C ATOM 955 O ILE A 67 11.059 -11.998 -5.186 1.00 0.00 O ATOM 956 CB ILE A 67 12.700 -9.259 -4.193 1.00 0.00 C ATOM 957 CG1 ILE A 67 13.839 -8.833 -3.264 1.00 0.00 C ATOM 958 CG2 ILE A 67 11.773 -8.071 -4.440 1.00 0.00 C ATOM 959 CD1 ILE A 67 13.278 -8.202 -1.998 1.00 0.00 C ATOM 0 H ILE A 67 12.884 -11.752 -2.230 1.00 0.00 H new ATOM 0 HA ILE A 67 11.341 -10.097 -2.699 1.00 0.00 H new ATOM 0 HB ILE A 67 13.130 -9.597 -5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.451 -9.698 -3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 67 14.489 -8.123 -3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.342 -7.249 -4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 67 10.979 -8.365 -5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 67 11.335 -7.749 -3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.099 -7.903 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.685 -7.325 -2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.647 -8.925 -1.480 1.00 0.00 H new ATOM 971 N CYS A 68 9.837 -10.198 -4.829 1.00 0.00 N ATOM 972 CA CYS A 68 8.797 -10.601 -5.803 1.00 0.00 C ATOM 973 C CYS A 68 8.862 -9.667 -7.015 1.00 0.00 C ATOM 974 O CYS A 68 9.659 -8.749 -7.057 1.00 0.00 O ATOM 975 CB CYS A 68 7.475 -10.394 -5.059 1.00 0.00 C ATOM 976 SG CYS A 68 7.634 -10.937 -3.336 1.00 0.00 S ATOM 0 H CYS A 68 9.659 -9.308 -4.363 1.00 0.00 H new ATOM 0 HA CYS A 68 8.916 -11.625 -6.158 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.192 -9.342 -5.092 1.00 0.00 H new ATOM 0 HB3 CYS A 68 6.680 -10.953 -5.552 1.00 0.00 H new ATOM 981 N THR A 69 8.008 -9.873 -7.978 1.00 0.00 N ATOM 982 CA THR A 69 7.989 -8.987 -9.178 1.00 0.00 C ATOM 983 C THR A 69 6.549 -8.534 -9.423 1.00 0.00 C ATOM 984 O THR A 69 5.622 -9.244 -9.095 1.00 0.00 O ATOM 985 CB THR A 69 8.508 -9.851 -10.334 1.00 0.00 C ATOM 986 OG1 THR A 69 8.526 -9.080 -11.527 1.00 0.00 O ATOM 987 CG2 THR A 69 7.606 -11.075 -10.525 1.00 0.00 C ATOM 0 H THR A 69 7.316 -10.623 -7.986 1.00 0.00 H new ATOM 0 HA THR A 69 8.602 -8.093 -9.064 1.00 0.00 H new ATOM 0 HB THR A 69 9.517 -10.190 -10.101 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.859 -9.630 -12.267 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.984 -11.681 -11.348 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.600 -11.669 -9.611 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.591 -10.747 -10.752 1.00 0.00 H new ATOM 995 N GLY A 70 6.342 -7.364 -9.974 1.00 0.00 N ATOM 996 CA GLY A 70 4.940 -6.912 -10.204 1.00 0.00 C ATOM 997 C GLY A 70 4.900 -5.585 -10.955 1.00 0.00 C ATOM 998 O GLY A 70 5.901 -5.077 -11.422 1.00 0.00 O ATOM 0 H GLY A 70 7.070 -6.714 -10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.400 -7.670 -10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.429 -6.806 -9.247 1.00 0.00 H new ATOM 1002 N THR A 71 3.725 -5.036 -11.072 1.00 0.00 N ATOM 1003 CA THR A 71 3.536 -3.746 -11.787 1.00 0.00 C ATOM 1004 C THR A 71 2.685 -2.806 -10.932 1.00 0.00 C ATOM 1005 O THR A 71 2.089 -3.216 -9.965 1.00 0.00 O ATOM 1006 CB THR A 71 2.794 -4.133 -13.061 1.00 0.00 C ATOM 1007 OG1 THR A 71 3.614 -4.975 -13.857 1.00 0.00 O ATOM 1008 CG2 THR A 71 2.396 -2.889 -13.855 1.00 0.00 C ATOM 0 H THR A 71 2.868 -5.438 -10.693 1.00 0.00 H new ATOM 0 HA THR A 71 4.472 -3.228 -11.996 1.00 0.00 H new ATOM 0 HB THR A 71 1.886 -4.669 -12.785 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.133 -5.223 -14.674 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.868 -3.189 -14.760 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.745 -2.261 -13.246 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.291 -2.329 -14.126 1.00 0.00 H new ATOM 1016 N SER A 72 2.608 -1.561 -11.306 1.00 0.00 N ATOM 1017 CA SER A 72 1.769 -0.585 -10.545 1.00 0.00 C ATOM 1018 C SER A 72 1.062 0.336 -11.548 1.00 0.00 C ATOM 1019 O SER A 72 1.693 0.877 -12.438 1.00 0.00 O ATOM 1020 CB SER A 72 2.741 0.205 -9.669 1.00 0.00 C ATOM 1021 OG SER A 72 2.003 1.013 -8.762 1.00 0.00 O ATOM 0 H SER A 72 3.094 -1.170 -12.114 1.00 0.00 H new ATOM 0 HA SER A 72 1.006 -1.066 -9.934 1.00 0.00 H new ATOM 0 HB2 SER A 72 3.391 -0.477 -9.121 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.384 0.829 -10.290 1.00 0.00 H new ATOM 0 HG SER A 72 1.044 0.878 -8.910 1.00 0.00 H new ATOM 1027 N SER A 73 -0.235 0.510 -11.432 1.00 0.00 N ATOM 1028 CA SER A 73 -0.954 1.390 -12.404 1.00 0.00 C ATOM 1029 C SER A 73 -1.849 2.384 -11.669 1.00 0.00 C ATOM 1030 O SER A 73 -2.600 2.017 -10.786 1.00 0.00 O ATOM 1031 CB SER A 73 -1.796 0.436 -13.250 1.00 0.00 C ATOM 1032 OG SER A 73 -0.935 -0.428 -13.980 1.00 0.00 O ATOM 0 H SER A 73 -0.820 0.084 -10.713 1.00 0.00 H new ATOM 0 HA SER A 73 -0.265 1.979 -13.010 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.459 -0.147 -12.611 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.429 1.001 -13.934 1.00 0.00 H new ATOM 0 HG SER A 73 -1.472 -1.043 -14.523 1.00 0.00 H new ATOM 1038 N GLY A 74 -1.778 3.644 -12.031 1.00 0.00 N ATOM 1039 CA GLY A 74 -2.630 4.676 -11.360 1.00 0.00 C ATOM 1040 C GLY A 74 -2.449 4.588 -9.842 1.00 0.00 C ATOM 1041 O GLY A 74 -1.347 4.675 -9.333 1.00 0.00 O ATOM 0 H GLY A 74 -1.165 4.002 -12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.357 5.671 -11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.677 4.522 -11.620 1.00 0.00 H new ATOM 1045 N ASN A 75 -3.525 4.407 -9.125 1.00 0.00 N ATOM 1046 CA ASN A 75 -3.432 4.294 -7.643 1.00 0.00 C ATOM 1047 C ASN A 75 -3.481 2.824 -7.201 1.00 0.00 C ATOM 1048 O ASN A 75 -3.628 2.540 -6.031 1.00 0.00 O ATOM 1049 CB ASN A 75 -4.650 5.053 -7.114 1.00 0.00 C ATOM 1050 CG ASN A 75 -4.537 6.530 -7.495 1.00 0.00 C ATOM 1051 OD1 ASN A 75 -3.562 7.179 -7.173 1.00 0.00 O ATOM 1052 ND2 ASN A 75 -5.502 7.093 -8.170 1.00 0.00 N ATOM 0 H ASN A 75 -4.469 4.332 -9.505 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.494 4.699 -7.262 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.564 4.629 -7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -4.714 4.950 -6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.437 8.078 -8.427 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.321 6.548 -8.440 1.00 0.00 H new ATOM 1059 N GLN A 76 -3.360 1.887 -8.120 1.00 0.00 N ATOM 1060 CA GLN A 76 -3.403 0.442 -7.735 1.00 0.00 C ATOM 1061 C GLN A 76 -2.051 -0.211 -8.001 1.00 0.00 C ATOM 1062 O GLN A 76 -1.478 -0.039 -9.062 1.00 0.00 O ATOM 1063 CB GLN A 76 -4.477 -0.174 -8.632 1.00 0.00 C ATOM 1064 CG GLN A 76 -5.858 0.304 -8.184 1.00 0.00 C ATOM 1065 CD GLN A 76 -6.933 -0.320 -9.077 1.00 0.00 C ATOM 1066 OE1 GLN A 76 -7.948 -0.780 -8.592 1.00 0.00 O ATOM 1067 NE2 GLN A 76 -6.756 -0.356 -10.370 1.00 0.00 N ATOM 0 H GLN A 76 -3.234 2.065 -9.116 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.624 0.302 -6.677 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.303 0.108 -9.670 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.425 -1.262 -8.584 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.030 0.027 -7.144 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.913 1.391 -8.238 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.905 0.030 -10.779 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.469 -0.770 -10.971 1.00 0.00 H new ATOM 1076 N VAL A 77 -1.522 -0.946 -7.049 1.00 0.00 N ATOM 1077 CA VAL A 77 -0.197 -1.580 -7.271 1.00 0.00 C ATOM 1078 C VAL A 77 -0.305 -3.114 -7.376 1.00 0.00 C ATOM 1079 O VAL A 77 -0.701 -3.794 -6.451 1.00 0.00 O ATOM 1080 CB VAL A 77 0.673 -1.158 -6.076 1.00 0.00 C ATOM 1081 CG1 VAL A 77 0.650 0.371 -5.901 1.00 0.00 C ATOM 1082 CG2 VAL A 77 0.209 -1.838 -4.777 1.00 0.00 C ATOM 0 H VAL A 77 -1.950 -1.128 -6.141 1.00 0.00 H new ATOM 0 HA VAL A 77 0.239 -1.256 -8.216 1.00 0.00 H new ATOM 0 HB VAL A 77 1.694 -1.478 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.272 0.649 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.036 0.846 -6.803 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.374 0.702 -5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.845 -1.518 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.824 -1.558 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.276 -2.920 -4.889 1.00 0.00 H new ATOM 1092 N ASN A 78 0.067 -3.649 -8.506 1.00 0.00 N ATOM 1093 CA ASN A 78 0.025 -5.128 -8.714 1.00 0.00 C ATOM 1094 C ASN A 78 1.355 -5.780 -8.294 1.00 0.00 C ATOM 1095 O ASN A 78 2.374 -5.568 -8.924 1.00 0.00 O ATOM 1096 CB ASN A 78 -0.157 -5.312 -10.226 1.00 0.00 C ATOM 1097 CG ASN A 78 -1.615 -5.050 -10.634 1.00 0.00 C ATOM 1098 OD1 ASN A 78 -2.161 -4.004 -10.343 1.00 0.00 O ATOM 1099 ND2 ASN A 78 -2.262 -5.983 -11.305 1.00 0.00 N ATOM 0 H ASN A 78 0.404 -3.117 -9.308 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.769 -5.586 -8.125 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.504 -4.631 -10.762 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.129 -6.324 -10.511 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.231 -5.831 -11.585 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.794 -6.857 -11.544 1.00 0.00 H new ATOM 1105 N LEU A 79 1.351 -6.597 -7.265 1.00 0.00 N ATOM 1106 CA LEU A 79 2.615 -7.290 -6.846 1.00 0.00 C ATOM 1107 C LEU A 79 2.468 -8.803 -7.062 1.00 0.00 C ATOM 1108 O LEU A 79 1.547 -9.419 -6.559 1.00 0.00 O ATOM 1109 CB LEU A 79 2.813 -6.977 -5.353 1.00 0.00 C ATOM 1110 CG LEU A 79 3.182 -5.498 -5.157 1.00 0.00 C ATOM 1111 CD1 LEU A 79 3.354 -5.199 -3.666 1.00 0.00 C ATOM 1112 CD2 LEU A 79 4.493 -5.184 -5.897 1.00 0.00 C ATOM 0 H LEU A 79 0.531 -6.814 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 79 3.471 -6.951 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.900 -7.206 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.599 -7.611 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 79 2.382 -4.877 -5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.616 -4.149 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.421 -5.410 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.148 -5.825 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.749 -4.134 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.293 -5.810 -5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.368 -5.385 -6.961 1.00 0.00 H new ATOM 1124 N THR A 80 3.363 -9.404 -7.811 1.00 0.00 N ATOM 1125 CA THR A 80 3.271 -10.877 -8.064 1.00 0.00 C ATOM 1126 C THR A 80 4.472 -11.609 -7.450 1.00 0.00 C ATOM 1127 O THR A 80 5.608 -11.213 -7.623 1.00 0.00 O ATOM 1128 CB THR A 80 3.274 -11.025 -9.591 1.00 0.00 C ATOM 1129 OG1 THR A 80 2.186 -10.293 -10.137 1.00 0.00 O ATOM 1130 CG2 THR A 80 3.137 -12.502 -9.965 1.00 0.00 C ATOM 0 H THR A 80 4.153 -8.938 -8.258 1.00 0.00 H new ATOM 0 HA THR A 80 2.378 -11.310 -7.614 1.00 0.00 H new ATOM 0 HB THR A 80 4.211 -10.638 -9.992 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.187 -10.385 -11.113 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.139 -12.604 -11.050 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.973 -13.062 -9.546 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.201 -12.893 -9.566 1.00 0.00 H new ATOM 1138 N ILE A 81 4.226 -12.678 -6.736 1.00 0.00 N ATOM 1139 CA ILE A 81 5.347 -13.448 -6.116 1.00 0.00 C ATOM 1140 C ILE A 81 5.557 -14.764 -6.861 1.00 0.00 C ATOM 1141 O ILE A 81 4.611 -15.467 -7.153 1.00 0.00 O ATOM 1142 CB ILE A 81 4.895 -13.737 -4.681 1.00 0.00 C ATOM 1143 CG1 ILE A 81 4.735 -12.423 -3.915 1.00 0.00 C ATOM 1144 CG2 ILE A 81 5.934 -14.620 -3.974 1.00 0.00 C ATOM 1145 CD1 ILE A 81 3.836 -12.654 -2.700 1.00 0.00 C ATOM 0 H ILE A 81 3.294 -13.052 -6.555 1.00 0.00 H new ATOM 0 HA ILE A 81 6.285 -12.894 -6.151 1.00 0.00 H new ATOM 0 HB ILE A 81 3.938 -14.259 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.710 -12.053 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.302 -11.661 -4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.606 -14.822 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.040 -15.561 -4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.894 -14.105 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.719 -11.720 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.859 -13.004 -3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.288 -13.403 -2.050 1.00 0.00 H new ATOM 1157 N GLN A 82 6.785 -15.116 -7.137 1.00 0.00 N ATOM 1158 CA GLN A 82 7.046 -16.409 -7.823 1.00 0.00 C ATOM 1159 C GLN A 82 7.925 -17.299 -6.952 1.00 0.00 C ATOM 1160 O GLN A 82 9.037 -16.950 -6.602 1.00 0.00 O ATOM 1161 CB GLN A 82 7.762 -16.065 -9.123 1.00 0.00 C ATOM 1162 CG GLN A 82 6.836 -15.243 -10.024 1.00 0.00 C ATOM 1163 CD GLN A 82 7.596 -14.816 -11.282 1.00 0.00 C ATOM 1164 OE1 GLN A 82 8.554 -14.073 -11.204 1.00 0.00 O ATOM 1165 NE2 GLN A 82 7.205 -15.257 -12.446 1.00 0.00 N ATOM 0 H GLN A 82 7.614 -14.564 -6.917 1.00 0.00 H new ATOM 0 HA GLN A 82 6.121 -16.952 -8.014 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.671 -15.502 -8.910 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.065 -16.979 -9.635 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.960 -15.832 -10.297 1.00 0.00 H new ATOM 0 HG3 GLN A 82 6.475 -14.365 -9.488 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.401 -15.881 -12.511 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.704 -14.978 -13.291 1.00 0.00 H new ATOM 1174 N GLY A 83 7.423 -18.445 -6.608 1.00 0.00 N ATOM 1175 CA GLY A 83 8.199 -19.396 -5.758 1.00 0.00 C ATOM 1176 C GLY A 83 7.590 -19.436 -4.358 1.00 0.00 C ATOM 1177 O GLY A 83 8.278 -19.261 -3.369 1.00 0.00 O ATOM 0 H GLY A 83 6.496 -18.773 -6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.185 -20.392 -6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.242 -19.085 -5.704 1.00 0.00 H new ATOM 1181 N LEU A 84 6.303 -19.653 -4.270 1.00 0.00 N ATOM 1182 CA LEU A 84 5.637 -19.693 -2.937 1.00 0.00 C ATOM 1183 C LEU A 84 5.578 -21.118 -2.384 1.00 0.00 C ATOM 1184 O LEU A 84 4.877 -21.968 -2.899 1.00 0.00 O ATOM 1185 CB LEU A 84 4.225 -19.176 -3.198 1.00 0.00 C ATOM 1186 CG LEU A 84 4.281 -17.686 -3.521 1.00 0.00 C ATOM 1187 CD1 LEU A 84 2.928 -17.236 -4.071 1.00 0.00 C ATOM 1188 CD2 LEU A 84 4.596 -16.909 -2.243 1.00 0.00 C ATOM 0 H LEU A 84 5.684 -19.804 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 84 6.179 -19.100 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.774 -19.722 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.596 -19.346 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 84 5.055 -17.498 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.965 -16.172 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.699 -17.797 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.154 -17.418 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.638 -15.843 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.817 -17.095 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.558 -17.235 -1.847 1.00 0.00 H new ATOM 1200 N ARG A 85 6.284 -21.366 -1.313 1.00 0.00 N ATOM 1201 CA ARG A 85 6.254 -22.715 -0.678 1.00 0.00 C ATOM 1202 C ARG A 85 5.009 -22.816 0.194 1.00 0.00 C ATOM 1203 O ARG A 85 4.386 -21.816 0.500 1.00 0.00 O ATOM 1204 CB ARG A 85 7.514 -22.780 0.189 1.00 0.00 C ATOM 1205 CG ARG A 85 8.736 -22.972 -0.707 1.00 0.00 C ATOM 1206 CD ARG A 85 8.863 -24.446 -1.097 1.00 0.00 C ATOM 1207 NE ARG A 85 10.132 -24.526 -1.885 1.00 0.00 N ATOM 1208 CZ ARG A 85 10.179 -24.172 -3.155 1.00 0.00 C ATOM 1209 NH1 ARG A 85 9.122 -23.708 -3.782 1.00 0.00 N ATOM 1210 NH2 ARG A 85 11.306 -24.279 -3.803 1.00 0.00 N ATOM 0 H ARG A 85 6.885 -20.686 -0.848 1.00 0.00 H new ATOM 0 HA ARG A 85 6.228 -23.527 -1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.616 -21.864 0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.438 -23.603 0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.644 -22.356 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.636 -22.645 -0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.904 -25.086 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.009 -24.773 -1.689 1.00 0.00 H new ATOM 0 HE ARG A 85 10.981 -24.862 -1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.236 -23.614 -3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.188 -23.442 -4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.136 -24.633 -3.327 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.357 -24.009 -4.785 1.00 0.00 H new ATOM 1224 N ALA A 86 4.645 -24.000 0.621 1.00 0.00 N ATOM 1225 CA ALA A 86 3.441 -24.134 1.503 1.00 0.00 C ATOM 1226 C ALA A 86 3.622 -23.240 2.738 1.00 0.00 C ATOM 1227 O ALA A 86 2.670 -22.755 3.318 1.00 0.00 O ATOM 1228 CB ALA A 86 3.395 -25.609 1.906 1.00 0.00 C ATOM 0 H ALA A 86 5.124 -24.873 0.400 1.00 0.00 H new ATOM 0 HA ALA A 86 2.519 -23.831 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.536 -25.782 2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.306 -26.228 1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.310 -25.870 2.438 1.00 0.00 H new ATOM 1234 N MET A 87 4.854 -23.017 3.125 1.00 0.00 N ATOM 1235 CA MET A 87 5.140 -22.154 4.304 1.00 0.00 C ATOM 1236 C MET A 87 4.811 -20.684 3.974 1.00 0.00 C ATOM 1237 O MET A 87 4.359 -19.930 4.814 1.00 0.00 O ATOM 1238 CB MET A 87 6.649 -22.364 4.579 1.00 0.00 C ATOM 1239 CG MET A 87 7.518 -21.526 3.629 1.00 0.00 C ATOM 1240 SD MET A 87 9.254 -22.000 3.822 1.00 0.00 S ATOM 1241 CE MET A 87 9.491 -21.321 5.483 1.00 0.00 C ATOM 0 H MET A 87 5.680 -23.402 2.667 1.00 0.00 H new ATOM 0 HA MET A 87 4.539 -22.405 5.178 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.873 -22.094 5.611 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.897 -23.419 4.465 1.00 0.00 H new ATOM 0 HG2 MET A 87 7.201 -21.680 2.598 1.00 0.00 H new ATOM 0 HG3 MET A 87 7.393 -20.465 3.846 1.00 0.00 H new ATOM 0 HE1 MET A 87 10.546 -21.095 5.637 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.905 -20.408 5.590 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.164 -22.050 6.224 1.00 0.00 H new ATOM 1251 N ASP A 88 5.063 -20.285 2.753 1.00 0.00 N ATOM 1252 CA ASP A 88 4.796 -18.872 2.337 1.00 0.00 C ATOM 1253 C ASP A 88 3.319 -18.514 2.495 1.00 0.00 C ATOM 1254 O ASP A 88 2.975 -17.359 2.659 1.00 0.00 O ATOM 1255 CB ASP A 88 5.214 -18.788 0.870 1.00 0.00 C ATOM 1256 CG ASP A 88 6.739 -18.850 0.773 1.00 0.00 C ATOM 1257 OD1 ASP A 88 7.324 -19.666 1.465 1.00 0.00 O ATOM 1258 OD2 ASP A 88 7.296 -18.084 0.003 1.00 0.00 O ATOM 0 H ASP A 88 5.445 -20.882 2.020 1.00 0.00 H new ATOM 0 HA ASP A 88 5.349 -18.168 2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.769 -19.608 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.848 -17.861 0.428 1.00 0.00 H new ATOM 1263 N THR A 89 2.437 -19.488 2.442 1.00 0.00 N ATOM 1264 CA THR A 89 0.979 -19.201 2.585 1.00 0.00 C ATOM 1265 C THR A 89 0.729 -18.359 3.835 1.00 0.00 C ATOM 1266 O THR A 89 1.241 -18.645 4.902 1.00 0.00 O ATOM 1267 CB THR A 89 0.313 -20.552 2.721 1.00 0.00 C ATOM 1268 OG1 THR A 89 0.757 -21.411 1.680 1.00 0.00 O ATOM 1269 CG2 THR A 89 -1.203 -20.386 2.637 1.00 0.00 C ATOM 0 H THR A 89 2.670 -20.472 2.305 1.00 0.00 H new ATOM 0 HA THR A 89 0.589 -18.642 1.735 1.00 0.00 H new ATOM 0 HB THR A 89 0.576 -20.988 3.685 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.449 -22.013 2.025 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.682 -21.360 2.735 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.543 -19.732 3.440 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.468 -19.947 1.675 1.00 0.00 H new ATOM 1277 N GLY A 90 -0.031 -17.316 3.696 1.00 0.00 N ATOM 1278 CA GLY A 90 -0.302 -16.427 4.867 1.00 0.00 C ATOM 1279 C GLY A 90 -0.641 -15.016 4.384 1.00 0.00 C ATOM 1280 O GLY A 90 -0.932 -14.806 3.224 1.00 0.00 O ATOM 0 H GLY A 90 -0.480 -17.035 2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.128 -16.827 5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.570 -16.397 5.521 1.00 0.00 H new ATOM 1284 N LEU A 91 -0.623 -14.053 5.276 1.00 0.00 N ATOM 1285 CA LEU A 91 -0.974 -12.653 4.890 1.00 0.00 C ATOM 1286 C LEU A 91 0.230 -11.863 4.358 1.00 0.00 C ATOM 1287 O LEU A 91 1.266 -11.767 4.993 1.00 0.00 O ATOM 1288 CB LEU A 91 -1.481 -12.010 6.184 1.00 0.00 C ATOM 1289 CG LEU A 91 -1.968 -10.588 5.892 1.00 0.00 C ATOM 1290 CD1 LEU A 91 -3.386 -10.635 5.332 1.00 0.00 C ATOM 1291 CD2 LEU A 91 -1.949 -9.766 7.170 1.00 0.00 C ATOM 0 H LEU A 91 -0.379 -14.180 6.258 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.707 -12.650 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.292 -12.604 6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.684 -11.987 6.928 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.307 -10.126 5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.729 -9.621 5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.394 -11.216 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.050 -11.101 6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.296 -8.755 6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.604 -10.227 7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.933 -9.726 7.562 1.00 0.00 H new ATOM 1303 N TYR A 92 0.051 -11.238 3.220 1.00 0.00 N ATOM 1304 CA TYR A 92 1.120 -10.378 2.639 1.00 0.00 C ATOM 1305 C TYR A 92 0.646 -8.922 2.702 1.00 0.00 C ATOM 1306 O TYR A 92 -0.522 -8.641 2.507 1.00 0.00 O ATOM 1307 CB TYR A 92 1.305 -10.847 1.195 1.00 0.00 C ATOM 1308 CG TYR A 92 2.092 -12.137 1.187 1.00 0.00 C ATOM 1309 CD1 TYR A 92 3.512 -12.093 1.158 1.00 0.00 C ATOM 1310 CD2 TYR A 92 1.421 -13.390 1.212 1.00 0.00 C ATOM 1311 CE1 TYR A 92 4.264 -13.297 1.153 1.00 0.00 C ATOM 1312 CE2 TYR A 92 2.173 -14.597 1.206 1.00 0.00 C ATOM 1313 CZ TYR A 92 3.595 -14.550 1.177 1.00 0.00 C ATOM 1314 OH TYR A 92 4.324 -15.722 1.171 1.00 0.00 O ATOM 0 H TYR A 92 -0.803 -11.290 2.664 1.00 0.00 H new ATOM 0 HA TYR A 92 2.067 -10.447 3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.335 -10.996 0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.828 -10.085 0.617 1.00 0.00 H new ATOM 0 HD1 TYR A 92 4.021 -11.141 1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.342 -13.425 1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 92 5.343 -13.260 1.131 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.665 -15.550 1.223 1.00 0.00 H new ATOM 0 HH TYR A 92 4.102 -16.249 1.967 1.00 0.00 H new ATOM 1324 N ILE A 93 1.522 -8.001 3.023 1.00 0.00 N ATOM 1325 CA ILE A 93 1.088 -6.573 3.155 1.00 0.00 C ATOM 1326 C ILE A 93 1.633 -5.691 2.040 1.00 0.00 C ATOM 1327 O ILE A 93 2.826 -5.544 1.897 1.00 0.00 O ATOM 1328 CB ILE A 93 1.681 -6.092 4.486 1.00 0.00 C ATOM 1329 CG1 ILE A 93 1.132 -6.926 5.633 1.00 0.00 C ATOM 1330 CG2 ILE A 93 1.307 -4.620 4.733 1.00 0.00 C ATOM 1331 CD1 ILE A 93 1.906 -8.239 5.762 1.00 0.00 C ATOM 0 H ILE A 93 2.512 -8.173 3.198 1.00 0.00 H new ATOM 0 HA ILE A 93 0.001 -6.510 3.106 1.00 0.00 H new ATOM 0 HB ILE A 93 2.765 -6.196 4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.201 -6.364 6.564 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.076 -7.135 5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.733 -4.290 5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.700 -4.004 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.222 -4.521 4.770 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.499 -8.822 6.588 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.814 -8.808 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.957 -8.024 5.953 1.00 0.00 H new ATOM 1343 N CYS A 94 0.771 -5.032 1.313 1.00 0.00 N ATOM 1344 CA CYS A 94 1.264 -4.087 0.278 1.00 0.00 C ATOM 1345 C CYS A 94 1.650 -2.807 1.014 1.00 0.00 C ATOM 1346 O CYS A 94 0.827 -2.197 1.673 1.00 0.00 O ATOM 1347 CB CYS A 94 0.086 -3.816 -0.651 1.00 0.00 C ATOM 1348 SG CYS A 94 -0.823 -2.385 -0.022 1.00 0.00 S ATOM 0 H CYS A 94 -0.243 -5.108 1.392 1.00 0.00 H new ATOM 0 HA CYS A 94 2.113 -4.466 -0.290 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.439 -3.625 -1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.566 -4.688 -0.700 1.00 0.00 H new ATOM 1353 N LYS A 95 2.881 -2.405 0.928 1.00 0.00 N ATOM 1354 CA LYS A 95 3.320 -1.173 1.642 1.00 0.00 C ATOM 1355 C LYS A 95 3.444 -0.046 0.632 1.00 0.00 C ATOM 1356 O LYS A 95 3.803 -0.280 -0.503 1.00 0.00 O ATOM 1357 CB LYS A 95 4.670 -1.532 2.252 1.00 0.00 C ATOM 1358 CG LYS A 95 5.191 -0.369 3.105 1.00 0.00 C ATOM 1359 CD LYS A 95 5.423 -0.866 4.527 1.00 0.00 C ATOM 1360 CE LYS A 95 5.847 0.300 5.422 1.00 0.00 C ATOM 1361 NZ LYS A 95 5.941 -0.282 6.789 1.00 0.00 N ATOM 0 H LYS A 95 3.609 -2.877 0.392 1.00 0.00 H new ATOM 0 HA LYS A 95 2.624 -0.842 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.574 -2.428 2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.385 -1.762 1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.119 0.020 2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.472 0.451 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.512 -1.322 4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.193 -1.638 4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.803 0.716 5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.119 1.110 5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.805 0.468 7.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.206 -1.008 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.878 -0.714 6.919 1.00 0.00 H new ATOM 1375 N VAL A 96 3.112 1.161 1.005 1.00 0.00 N ATOM 1376 CA VAL A 96 3.190 2.278 0.018 1.00 0.00 C ATOM 1377 C VAL A 96 3.719 3.535 0.702 1.00 0.00 C ATOM 1378 O VAL A 96 3.015 4.156 1.483 1.00 0.00 O ATOM 1379 CB VAL A 96 1.743 2.491 -0.447 1.00 0.00 C ATOM 1380 CG1 VAL A 96 1.718 3.468 -1.625 1.00 0.00 C ATOM 1381 CG2 VAL A 96 1.122 1.151 -0.872 1.00 0.00 C ATOM 0 H VAL A 96 2.794 1.421 1.939 1.00 0.00 H new ATOM 0 HA VAL A 96 3.859 2.057 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 96 1.163 2.904 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.689 3.617 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.142 4.423 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.305 3.061 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.095 1.314 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.702 0.725 -1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.128 0.463 -0.027 1.00 0.00 H new ATOM 1391 N GLU A 97 4.952 3.910 0.435 1.00 0.00 N ATOM 1392 CA GLU A 97 5.506 5.126 1.095 1.00 0.00 C ATOM 1393 C GLU A 97 6.360 5.974 0.157 1.00 0.00 C ATOM 1394 O GLU A 97 7.378 5.527 -0.339 1.00 0.00 O ATOM 1395 CB GLU A 97 6.410 4.601 2.210 1.00 0.00 C ATOM 1396 CG GLU A 97 5.567 3.822 3.221 1.00 0.00 C ATOM 1397 CD GLU A 97 6.471 3.262 4.323 1.00 0.00 C ATOM 1398 OE1 GLU A 97 7.412 2.562 3.987 1.00 0.00 O ATOM 1399 OE2 GLU A 97 6.204 3.537 5.481 1.00 0.00 O ATOM 0 H GLU A 97 5.586 3.430 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 97 4.688 5.759 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.185 3.958 1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.916 5.430 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.808 4.473 3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.041 3.009 2.721 1.00 0.00 H new ATOM 1406 N LEU A 98 6.003 7.218 -0.021 1.00 0.00 N ATOM 1407 CA LEU A 98 6.847 8.118 -0.837 1.00 0.00 C ATOM 1408 C LEU A 98 8.062 8.408 0.016 1.00 0.00 C ATOM 1409 O LEU A 98 8.111 9.381 0.746 1.00 0.00 O ATOM 1410 CB LEU A 98 6.007 9.369 -1.055 1.00 0.00 C ATOM 1411 CG LEU A 98 5.015 9.079 -2.175 1.00 0.00 C ATOM 1412 CD1 LEU A 98 3.971 8.093 -1.680 1.00 0.00 C ATOM 1413 CD2 LEU A 98 4.337 10.372 -2.627 1.00 0.00 C ATOM 0 H LEU A 98 5.161 7.644 0.367 1.00 0.00 H new ATOM 0 HA LEU A 98 7.163 7.717 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.480 9.639 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.643 10.214 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 98 5.547 8.650 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.260 7.884 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.460 7.167 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.443 8.520 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.631 10.152 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.805 10.817 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.091 11.070 -2.990 1.00 0.00 H new ATOM 1425 N MET A 99 9.012 7.526 -0.024 1.00 0.00 N ATOM 1426 CA MET A 99 10.210 7.691 0.843 1.00 0.00 C ATOM 1427 C MET A 99 11.195 8.700 0.264 1.00 0.00 C ATOM 1428 O MET A 99 11.639 9.601 0.944 1.00 0.00 O ATOM 1429 CB MET A 99 10.854 6.317 0.921 1.00 0.00 C ATOM 1430 CG MET A 99 10.041 5.460 1.874 1.00 0.00 C ATOM 1431 SD MET A 99 10.330 6.054 3.562 1.00 0.00 S ATOM 1432 CE MET A 99 8.830 5.368 4.291 1.00 0.00 C ATOM 0 H MET A 99 9.014 6.697 -0.618 1.00 0.00 H new ATOM 0 HA MET A 99 9.925 8.071 1.824 1.00 0.00 H new ATOM 0 HB2 MET A 99 10.888 5.858 -0.067 1.00 0.00 H new ATOM 0 HB3 MET A 99 11.883 6.400 1.270 1.00 0.00 H new ATOM 0 HG2 MET A 99 8.981 5.519 1.627 1.00 0.00 H new ATOM 0 HG3 MET A 99 10.331 4.413 1.785 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.983 5.213 5.359 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.002 6.061 4.140 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.597 4.415 3.815 1.00 0.00 H new ATOM 1442 N TYR A 100 11.556 8.546 -0.982 1.00 0.00 N ATOM 1443 CA TYR A 100 12.539 9.496 -1.606 1.00 0.00 C ATOM 1444 C TYR A 100 11.950 10.920 -1.805 1.00 0.00 C ATOM 1445 O TYR A 100 12.632 11.891 -1.523 1.00 0.00 O ATOM 1446 CB TYR A 100 12.945 8.856 -2.943 1.00 0.00 C ATOM 1447 CG TYR A 100 13.700 7.547 -2.699 1.00 0.00 C ATOM 1448 CD1 TYR A 100 15.112 7.559 -2.502 1.00 0.00 C ATOM 1449 CD2 TYR A 100 12.997 6.307 -2.648 1.00 0.00 C ATOM 1450 CE1 TYR A 100 15.816 6.339 -2.253 1.00 0.00 C ATOM 1451 CE2 TYR A 100 13.697 5.095 -2.388 1.00 0.00 C ATOM 1452 CZ TYR A 100 15.103 5.107 -2.190 1.00 0.00 C ATOM 1453 OH TYR A 100 15.772 3.924 -1.904 1.00 0.00 O ATOM 0 H TYR A 100 11.217 7.807 -1.598 1.00 0.00 H new ATOM 0 HA TYR A 100 13.400 9.644 -0.954 1.00 0.00 H new ATOM 0 HB2 TYR A 100 12.058 8.665 -3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 100 13.572 9.545 -3.508 1.00 0.00 H new ATOM 0 HD1 TYR A 100 15.652 8.493 -2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 100 11.929 6.287 -2.807 1.00 0.00 H new ATOM 0 HE1 TYR A 100 16.887 6.352 -2.113 1.00 0.00 H new ATOM 0 HE2 TYR A 100 13.156 4.162 -2.341 1.00 0.00 H new ATOM 0 HH TYR A 100 15.134 3.180 -1.899 1.00 0.00 H new ATOM 1463 N PRO A 101 10.704 11.042 -2.216 1.00 0.00 N ATOM 1464 CA PRO A 101 10.076 12.373 -2.462 1.00 0.00 C ATOM 1465 C PRO A 101 9.428 12.899 -1.157 1.00 0.00 C ATOM 1466 O PRO A 101 8.576 12.272 -0.641 1.00 0.00 O ATOM 1467 CB PRO A 101 8.957 12.112 -3.460 1.00 0.00 C ATOM 1468 CG PRO A 101 8.707 10.629 -3.446 1.00 0.00 C ATOM 1469 CD PRO A 101 9.740 9.985 -2.550 1.00 0.00 C ATOM 0 HA PRO A 101 10.810 13.098 -2.814 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.056 12.660 -3.184 1.00 0.00 H new ATOM 0 HB3 PRO A 101 9.241 12.448 -4.457 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.702 10.416 -3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.773 10.223 -4.455 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.277 9.581 -1.650 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.232 9.154 -3.056 1.00 0.00 H new ATOM 1477 N PRO A 102 9.874 14.033 -0.678 1.00 0.00 N ATOM 1478 CA PRO A 102 9.227 14.679 0.474 1.00 0.00 C ATOM 1479 C PRO A 102 8.223 15.913 0.055 1.00 0.00 C ATOM 1480 O PRO A 102 8.204 16.131 -1.003 1.00 0.00 O ATOM 1481 CB PRO A 102 10.430 15.556 1.011 1.00 0.00 C ATOM 1482 CG PRO A 102 11.262 15.903 -0.173 1.00 0.00 C ATOM 1483 CD PRO A 102 10.995 14.855 -1.254 1.00 0.00 C ATOM 0 HA PRO A 102 8.716 13.930 1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 102 10.064 16.456 1.505 1.00 0.00 H new ATOM 0 HB3 PRO A 102 11.014 15.004 1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 102 11.012 16.900 -0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 102 12.319 15.917 0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 102 10.709 15.317 -2.199 1.00 0.00 H new ATOM 0 HD3 PRO A 102 11.878 14.247 -1.451 1.00 0.00 H new ATOM 1491 N PRO A 103 7.415 16.550 1.069 1.00 0.00 N ATOM 1492 CA PRO A 103 7.803 15.573 2.257 1.00 0.00 C ATOM 1493 C PRO A 103 7.109 14.082 2.105 1.00 0.00 C ATOM 1494 O PRO A 103 6.255 13.794 1.278 1.00 0.00 O ATOM 1495 CB PRO A 103 7.157 15.946 3.576 1.00 0.00 C ATOM 1496 CG PRO A 103 6.100 16.595 2.964 1.00 0.00 C ATOM 1497 CD PRO A 103 6.831 17.578 2.073 1.00 0.00 C ATOM 0 HA PRO A 103 8.892 15.614 2.228 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.862 15.091 4.185 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.770 16.590 4.206 1.00 0.00 H new ATOM 0 HG2 PRO A 103 5.473 15.911 2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 103 5.453 17.096 3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.167 18.304 1.603 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.599 18.143 2.601 1.00 0.00 H new ATOM 1505 N TYR A 104 7.413 13.118 3.022 1.00 0.00 N ATOM 1506 CA TYR A 104 6.767 11.763 3.043 1.00 0.00 C ATOM 1507 C TYR A 104 5.375 11.816 3.697 1.00 0.00 C ATOM 1508 O TYR A 104 5.228 12.439 4.733 1.00 0.00 O ATOM 1509 CB TYR A 104 7.658 10.917 3.964 1.00 0.00 C ATOM 1510 CG TYR A 104 7.010 9.577 4.325 1.00 0.00 C ATOM 1511 CD1 TYR A 104 6.510 8.759 3.310 1.00 0.00 C ATOM 1512 CD2 TYR A 104 6.955 9.145 5.699 1.00 0.00 C ATOM 1513 CE1 TYR A 104 5.901 7.515 3.617 1.00 0.00 C ATOM 1514 CE2 TYR A 104 6.346 7.879 6.012 1.00 0.00 C ATOM 1515 CZ TYR A 104 5.833 7.060 4.963 1.00 0.00 C ATOM 1516 OH TYR A 104 5.213 5.847 5.247 1.00 0.00 O ATOM 0 H TYR A 104 8.104 13.252 3.761 1.00 0.00 H new ATOM 0 HA TYR A 104 6.661 11.376 2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 104 8.615 10.736 3.475 1.00 0.00 H new ATOM 0 HB3 TYR A 104 7.867 11.475 4.877 1.00 0.00 H new ATOM 0 HD1 TYR A 104 6.588 9.077 2.281 1.00 0.00 H new ATOM 0 HD2 TYR A 104 7.365 9.763 6.484 1.00 0.00 H new ATOM 0 HE1 TYR A 104 5.487 6.910 2.824 1.00 0.00 H new ATOM 0 HE2 TYR A 104 6.278 7.550 7.038 1.00 0.00 H new ATOM 0 HH TYR A 104 5.866 5.230 5.638 1.00 0.00 H new ATOM 1526 N TYR A 105 4.384 11.165 3.108 1.00 0.00 N ATOM 1527 CA TYR A 105 2.990 11.142 3.672 1.00 0.00 C ATOM 1528 C TYR A 105 2.184 9.941 3.136 1.00 0.00 C ATOM 1529 O TYR A 105 1.543 10.034 2.097 1.00 0.00 O ATOM 1530 CB TYR A 105 2.424 12.365 3.074 1.00 0.00 C ATOM 1531 CG TYR A 105 1.213 12.723 3.810 1.00 0.00 C ATOM 1532 CD1 TYR A 105 1.300 13.535 4.958 1.00 0.00 C ATOM 1533 CD2 TYR A 105 -0.027 12.239 3.352 1.00 0.00 C ATOM 1534 CE1 TYR A 105 0.126 13.878 5.665 1.00 0.00 C ATOM 1535 CE2 TYR A 105 -1.209 12.575 4.048 1.00 0.00 C ATOM 1536 CZ TYR A 105 -1.133 13.397 5.212 1.00 0.00 C ATOM 1537 OH TYR A 105 -2.280 13.723 5.895 1.00 0.00 O ATOM 0 H TYR A 105 4.491 10.639 2.241 1.00 0.00 H new ATOM 0 HA TYR A 105 2.970 11.078 4.760 1.00 0.00 H new ATOM 0 HB2 TYR A 105 3.148 13.178 3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 105 2.193 12.200 2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 105 2.261 13.894 5.296 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -0.074 11.614 2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.184 14.502 6.545 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -2.165 12.212 3.701 1.00 0.00 H new ATOM 0 HH TYR A 105 -3.052 13.314 5.452 1.00 0.00 H new ATOM 1547 N LEU A 106 2.197 8.841 3.810 1.00 0.00 N ATOM 1548 CA LEU A 106 1.423 7.685 3.281 1.00 0.00 C ATOM 1549 C LEU A 106 1.102 6.658 4.354 1.00 0.00 C ATOM 1550 O LEU A 106 1.057 6.966 5.528 1.00 0.00 O ATOM 1551 CB LEU A 106 2.325 7.089 2.186 1.00 0.00 C ATOM 1552 CG LEU A 106 1.758 7.308 0.764 1.00 0.00 C ATOM 1553 CD1 LEU A 106 2.254 6.198 -0.154 1.00 0.00 C ATOM 1554 CD2 LEU A 106 0.224 7.327 0.706 1.00 0.00 C ATOM 0 H LEU A 106 2.695 8.684 4.686 1.00 0.00 H new ATOM 0 HA LEU A 106 0.450 7.996 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.316 7.539 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.448 6.021 2.364 1.00 0.00 H new ATOM 0 HG LEU A 106 2.109 8.289 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.856 6.350 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.343 6.215 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.918 5.233 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.099 7.485 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.166 6.375 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.154 8.135 1.333 1.00 0.00 H new ATOM 1566 N GLY A 108 0.850 5.437 3.944 1.00 0.00 N ATOM 1567 CA GLY A 108 0.494 4.378 4.932 1.00 0.00 C ATOM 1568 C GLY A 108 0.614 2.987 4.320 1.00 0.00 C ATOM 1569 O GLY A 108 1.016 2.809 3.184 1.00 0.00 O ATOM 0 H GLY A 108 0.876 5.132 2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.148 4.453 5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.525 4.535 5.286 1.00 0.00 H new ATOM 1573 N ILE A 109 0.263 2.001 5.095 1.00 0.00 N ATOM 1574 CA ILE A 109 0.323 0.600 4.637 1.00 0.00 C ATOM 1575 C ILE A 109 -1.084 -0.008 4.739 1.00 0.00 C ATOM 1576 O ILE A 109 -1.884 0.406 5.561 1.00 0.00 O ATOM 1577 CB ILE A 109 1.270 -0.100 5.629 1.00 0.00 C ATOM 1578 CG1 ILE A 109 2.696 0.440 5.511 1.00 0.00 C ATOM 1579 CG2 ILE A 109 1.314 -1.595 5.324 1.00 0.00 C ATOM 1580 CD1 ILE A 109 2.813 1.832 6.132 1.00 0.00 C ATOM 0 H ILE A 109 -0.071 2.119 6.052 1.00 0.00 H new ATOM 0 HA ILE A 109 0.667 0.500 3.608 1.00 0.00 H new ATOM 0 HB ILE A 109 0.892 0.087 6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.388 -0.241 6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.986 0.482 4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 109 1.985 -2.090 6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.313 -2.016 5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 109 1.676 -1.748 4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.838 2.190 6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.138 2.517 5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 109 2.546 1.783 7.188 1.00 0.00 H new ATOM 1592 N GLY A 110 -1.378 -0.999 3.942 1.00 0.00 N ATOM 1593 CA GLY A 110 -2.717 -1.653 4.025 1.00 0.00 C ATOM 1594 C GLY A 110 -2.611 -2.852 4.973 1.00 0.00 C ATOM 1595 O GLY A 110 -1.526 -3.283 5.314 1.00 0.00 O ATOM 0 H GLY A 110 -0.750 -1.385 3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.462 -0.946 4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.042 -1.978 3.037 1.00 0.00 H new ATOM 1599 N ASN A 111 -3.724 -3.382 5.415 1.00 0.00 N ATOM 1600 CA ASN A 111 -3.679 -4.542 6.361 1.00 0.00 C ATOM 1601 C ASN A 111 -3.014 -5.767 5.724 1.00 0.00 C ATOM 1602 O ASN A 111 -2.330 -6.516 6.398 1.00 0.00 O ATOM 1603 CB ASN A 111 -5.138 -4.826 6.736 1.00 0.00 C ATOM 1604 CG ASN A 111 -5.678 -3.723 7.672 1.00 0.00 C ATOM 1605 OD1 ASN A 111 -4.826 -2.854 8.175 1.00 0.00 O flip ATOM 1606 ND2 ASN A 111 -6.861 -3.660 7.940 1.00 0.00 N flip ATOM 0 H ASN A 111 -4.660 -3.064 5.163 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.078 -4.312 7.241 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.748 -4.878 5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.212 -5.796 7.227 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -7.511 -4.339 7.544 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.205 -2.928 8.561 1.00 0.00 H new ATOM 1612 N GLY A 112 -3.183 -5.973 4.439 1.00 0.00 N ATOM 1613 CA GLY A 112 -2.527 -7.145 3.785 1.00 0.00 C ATOM 1614 C GLY A 112 -3.550 -8.110 3.184 1.00 0.00 C ATOM 1615 O GLY A 112 -4.708 -8.134 3.550 1.00 0.00 O ATOM 0 H GLY A 112 -3.742 -5.385 3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.855 -6.794 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.916 -7.674 4.516 1.00 0.00 H new ATOM 1619 N THR A 113 -3.090 -8.927 2.275 1.00 0.00 N ATOM 1620 CA THR A 113 -3.965 -9.945 1.627 1.00 0.00 C ATOM 1621 C THR A 113 -3.388 -11.326 1.913 1.00 0.00 C ATOM 1622 O THR A 113 -2.181 -11.498 1.920 1.00 0.00 O ATOM 1623 CB THR A 113 -3.853 -9.679 0.117 1.00 0.00 C ATOM 1624 OG1 THR A 113 -4.376 -8.395 -0.188 1.00 0.00 O ATOM 1625 CG2 THR A 113 -4.615 -10.767 -0.669 1.00 0.00 C ATOM 0 H THR A 113 -2.124 -8.931 1.948 1.00 0.00 H new ATOM 0 HA THR A 113 -4.994 -9.895 1.983 1.00 0.00 H new ATOM 0 HB THR A 113 -2.803 -9.709 -0.173 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.351 -8.451 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 113 -4.530 -10.570 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 113 -4.188 -11.744 -0.445 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.666 -10.756 -0.380 1.00 0.00 H new ATOM 1633 N GLN A 114 -4.217 -12.316 2.087 1.00 0.00 N ATOM 1634 CA GLN A 114 -3.664 -13.678 2.297 1.00 0.00 C ATOM 1635 C GLN A 114 -3.490 -14.330 0.931 1.00 0.00 C ATOM 1636 O GLN A 114 -4.266 -14.092 0.029 1.00 0.00 O ATOM 1637 CB GLN A 114 -4.667 -14.457 3.157 1.00 0.00 C ATOM 1638 CG GLN A 114 -4.026 -15.788 3.552 1.00 0.00 C ATOM 1639 CD GLN A 114 -4.625 -16.292 4.863 1.00 0.00 C ATOM 1640 OE1 GLN A 114 -5.731 -15.938 5.220 1.00 0.00 O ATOM 1641 NE2 GLN A 114 -3.929 -17.113 5.600 1.00 0.00 N ATOM 0 H GLN A 114 -5.234 -12.243 2.093 1.00 0.00 H new ATOM 0 HA GLN A 114 -2.698 -13.658 2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -4.931 -13.884 4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.590 -14.629 2.603 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -4.184 -16.524 2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -2.949 -15.663 3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -3.001 -17.408 5.297 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -4.313 -17.460 6.479 1.00 0.00 H new ATOM 1650 N ILE A 115 -2.480 -15.137 0.758 1.00 0.00 N ATOM 1651 CA ILE A 115 -2.289 -15.803 -0.557 1.00 0.00 C ATOM 1652 C ILE A 115 -2.390 -17.324 -0.349 1.00 0.00 C ATOM 1653 O ILE A 115 -1.761 -17.877 0.542 1.00 0.00 O ATOM 1654 CB ILE A 115 -0.889 -15.402 -1.052 1.00 0.00 C ATOM 1655 CG1 ILE A 115 -0.869 -13.895 -1.357 1.00 0.00 C ATOM 1656 CG2 ILE A 115 -0.549 -16.193 -2.325 1.00 0.00 C ATOM 1657 CD1 ILE A 115 0.496 -13.491 -1.933 1.00 0.00 C ATOM 0 H ILE A 115 -1.783 -15.362 1.468 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.041 -15.509 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 115 -0.151 -15.626 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.659 -13.649 -2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.070 -13.329 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 115 0.443 -15.909 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -0.564 -17.260 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.285 -15.971 -3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.499 -12.422 -2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 115 1.278 -13.720 -1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.681 -14.044 -2.854 1.00 0.00 H new ATOM 1669 N TYR A 116 -3.170 -17.993 -1.162 1.00 0.00 N ATOM 1670 CA TYR A 116 -3.319 -19.477 -1.033 1.00 0.00 C ATOM 1671 C TYR A 116 -2.734 -20.174 -2.261 1.00 0.00 C ATOM 1672 O TYR A 116 -2.660 -19.596 -3.331 1.00 0.00 O ATOM 1673 CB TYR A 116 -4.826 -19.739 -0.981 1.00 0.00 C ATOM 1674 CG TYR A 116 -5.393 -19.339 0.359 1.00 0.00 C ATOM 1675 CD1 TYR A 116 -4.798 -19.825 1.556 1.00 0.00 C ATOM 1676 CD2 TYR A 116 -6.535 -18.491 0.429 1.00 0.00 C ATOM 1677 CE1 TYR A 116 -5.342 -19.462 2.818 1.00 0.00 C ATOM 1678 CE2 TYR A 116 -7.071 -18.130 1.687 1.00 0.00 C ATOM 1679 CZ TYR A 116 -6.478 -18.612 2.883 1.00 0.00 C ATOM 1680 OH TYR A 116 -7.007 -18.258 4.108 1.00 0.00 O ATOM 0 H TYR A 116 -3.714 -17.572 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 116 -2.801 -19.852 -0.151 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.324 -19.180 -1.773 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -5.023 -20.795 -1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -3.933 -20.470 1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -6.992 -18.124 -0.478 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -4.892 -19.832 3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -7.935 -17.485 1.738 1.00 0.00 H new ATOM 0 HH TYR A 116 -7.781 -17.672 3.973 1.00 0.00 H new ATOM 1690 N VAL A 117 -2.342 -21.416 -2.126 1.00 0.00 N ATOM 1691 CA VAL A 117 -1.792 -22.154 -3.299 1.00 0.00 C ATOM 1692 C VAL A 117 -2.587 -23.440 -3.529 1.00 0.00 C ATOM 1693 O VAL A 117 -3.333 -23.893 -2.682 1.00 0.00 O ATOM 1694 CB VAL A 117 -0.334 -22.479 -2.971 1.00 0.00 C ATOM 1695 CG1 VAL A 117 0.284 -23.261 -4.142 1.00 0.00 C ATOM 1696 CG2 VAL A 117 0.443 -21.177 -2.763 1.00 0.00 C ATOM 0 H VAL A 117 -2.380 -21.948 -1.256 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.861 -21.557 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.287 -23.079 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.324 -23.496 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.272 -24.186 -4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.239 -22.656 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.482 -21.407 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.400 -20.578 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.001 -20.617 -1.939 1.00 0.00 H new