USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 998 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 82 CYS SG : rot 170:sc= -1.24 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -3.12 F(o=-9.3!,f=-4.4) USER MOD Set 2.1: A 50 GLN :FLIP amide:sc= -0.929 F(o=-4!,f=-2) USER MOD Set 2.2: A 56 THR OG1 : rot -130:sc= -1.03 USER MOD Set 3.1: A 49 GLN : amide:sc= -0.843 K(o=-0.19,f=-2.6!) USER MOD Set 3.2: A 59 THR OG1 : rot -97:sc= 0.656 USER MOD Set 4.1: A 45 HIS : no HD1:sc= -5.15! C(o=-12!,f=-13!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -6.59! C(o=-12!,f=-15!) USER MOD Single : A 1 MET CE :methyl -113:sc= -0.748 (180deg=-2.47!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0177 USER MOD Single : A 5 HIS : no HD1:sc= -0.374 K(o=-0.37,f=-1.2) USER MOD Single : A 6 HIS : no HD1:sc= -0.67 K(o=-0.67,f=-1.3) USER MOD Single : A 7 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.26) USER MOD Single : A 8 HIS : no HD1:sc= -0.055 X(o=-0.055,f=-0.18) USER MOD Single : A 9 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.2) USER MOD Single : A 10 HIS : no HD1:sc= -0.416 X(o=-0.42,f=-0.16) USER MOD Single : A 11 THR OG1 : rot 42:sc= 0.00327 USER MOD Single : A 14 MET CE :methyl 164:sc= 0 (180deg=-0.246) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.319 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.602 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0796 X(o=-0.08,f=-0.076) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= -0.0353 (180deg=-0.236) USER MOD Single : A 58 THR OG1 : rot 66:sc= 1.88 USER MOD Single : A 61 GLN : amide:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000198) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -145:sc= -0.395 (180deg=-1.31!) USER MOD Single : A 83 ASN :FLIP amide:sc= -1.49 F(o=-4.8,f=-1.5) USER MOD Single : A 85 THR OG1 : rot -47:sc= 0.828 USER MOD Single : A 89 HIS : no HD1:sc= -2.58 K(o=-2.6,f=-4.3!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.71! C(o=-2.7!,f=-6.5!) USER MOD Single : A 99 GLN : amide:sc= 0.0551 X(o=0.055,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -149:sc= -0.248 (180deg=-1.1) USER MOD Single : A 105 ASN : amide:sc= -0.0563 X(o=-0.056,f=0.0059) USER MOD Single : A 107 CYS SG : rot -87:sc= -0.277 USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -2.37! F(o=-3.6,f=-2.4!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 43.224 0.670 -14.652 1.00 0.00 N ATOM 2 CA MET A 1 42.092 -0.283 -14.780 1.00 0.00 C ATOM 3 C MET A 1 42.580 -1.728 -14.755 1.00 0.00 C ATOM 4 O MET A 1 42.856 -2.319 -15.797 1.00 0.00 O ATOM 5 CB MET A 1 41.360 0.003 -16.094 1.00 0.00 C ATOM 6 CG MET A 1 40.191 0.963 -15.942 1.00 0.00 C ATOM 7 SD MET A 1 38.769 0.203 -15.134 1.00 0.00 S ATOM 8 CE MET A 1 39.007 0.749 -13.445 1.00 0.00 C ATOM 0 H1 MET A 1 42.861 1.645 -14.672 1.00 0.00 H new ATOM 0 H2 MET A 1 43.718 0.503 -13.752 1.00 0.00 H new ATOM 0 H3 MET A 1 43.886 0.531 -15.442 1.00 0.00 H new ATOM 0 HA MET A 1 41.417 -0.150 -13.935 1.00 0.00 H new ATOM 0 HB2 MET A 1 42.068 0.416 -16.812 1.00 0.00 H new ATOM 0 HB3 MET A 1 40.996 -0.937 -16.510 1.00 0.00 H new ATOM 0 HG2 MET A 1 40.511 1.831 -15.365 1.00 0.00 H new ATOM 0 HG3 MET A 1 39.894 1.326 -16.926 1.00 0.00 H new ATOM 0 HE1 MET A 1 39.237 -0.110 -12.814 1.00 0.00 H new ATOM 0 HE2 MET A 1 39.832 1.460 -13.405 1.00 0.00 H new ATOM 0 HE3 MET A 1 38.097 1.229 -13.086 1.00 0.00 H new ATOM 20 N ARG A 2 42.685 -2.290 -13.555 1.00 0.00 N ATOM 21 CA ARG A 2 43.140 -3.666 -13.391 1.00 0.00 C ATOM 22 C ARG A 2 41.993 -4.570 -12.952 1.00 0.00 C ATOM 23 O ARG A 2 41.904 -5.724 -13.372 1.00 0.00 O ATOM 24 CB ARG A 2 44.277 -3.732 -12.369 1.00 0.00 C ATOM 25 CG ARG A 2 45.294 -4.822 -12.660 1.00 0.00 C ATOM 26 CD ARG A 2 45.001 -6.083 -11.863 1.00 0.00 C ATOM 27 NE ARG A 2 45.722 -6.107 -10.592 1.00 0.00 N ATOM 28 CZ ARG A 2 45.436 -6.939 -9.593 1.00 0.00 C ATOM 29 NH1 ARG A 2 44.446 -7.816 -9.713 1.00 0.00 N ATOM 30 NH2 ARG A 2 46.141 -6.894 -8.471 1.00 0.00 N ATOM 0 H ARG A 2 42.461 -1.813 -12.681 1.00 0.00 H new ATOM 0 HA ARG A 2 43.507 -4.018 -14.355 1.00 0.00 H new ATOM 0 HB2 ARG A 2 44.787 -2.769 -12.342 1.00 0.00 H new ATOM 0 HB3 ARG A 2 43.854 -3.896 -11.378 1.00 0.00 H new ATOM 0 HG2 ARG A 2 45.287 -5.053 -13.725 1.00 0.00 H new ATOM 0 HG3 ARG A 2 46.294 -4.462 -12.419 1.00 0.00 H new ATOM 0 HD2 ARG A 2 43.930 -6.151 -11.674 1.00 0.00 H new ATOM 0 HD3 ARG A 2 45.277 -6.957 -12.453 1.00 0.00 H new ATOM 0 HE ARG A 2 46.489 -5.448 -10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 2 43.900 -7.855 -10.574 1.00 0.00 H new ATOM 0 HH12 ARG A 2 44.231 -8.451 -8.944 1.00 0.00 H new ATOM 0 HH21 ARG A 2 46.902 -6.222 -8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 2 45.922 -7.531 -7.705 1.00 0.00 H new ATOM 44 N GLY A 3 41.118 -4.039 -12.104 1.00 0.00 N ATOM 45 CA GLY A 3 39.987 -4.812 -11.623 1.00 0.00 C ATOM 46 C GLY A 3 38.658 -4.152 -11.932 1.00 0.00 C ATOM 47 O GLY A 3 38.410 -3.017 -11.524 1.00 0.00 O ATOM 0 H GLY A 3 41.172 -3.087 -11.741 1.00 0.00 H new ATOM 0 HA2 GLY A 3 40.010 -5.803 -12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 3 40.078 -4.951 -10.546 1.00 0.00 H new ATOM 51 N SER A 4 37.801 -4.864 -12.656 1.00 0.00 N ATOM 52 CA SER A 4 36.489 -4.341 -13.020 1.00 0.00 C ATOM 53 C SER A 4 35.600 -5.447 -13.582 1.00 0.00 C ATOM 54 O SER A 4 36.092 -6.439 -14.120 1.00 0.00 O ATOM 55 CB SER A 4 36.632 -3.216 -14.046 1.00 0.00 C ATOM 56 OG SER A 4 35.374 -2.858 -14.591 1.00 0.00 O ATOM 0 H SER A 4 37.991 -5.804 -13.002 1.00 0.00 H new ATOM 0 HA SER A 4 36.021 -3.944 -12.119 1.00 0.00 H new ATOM 0 HB2 SER A 4 37.088 -2.346 -13.574 1.00 0.00 H new ATOM 0 HB3 SER A 4 37.301 -3.532 -14.846 1.00 0.00 H new ATOM 0 HG SER A 4 35.493 -2.136 -15.243 1.00 0.00 H new ATOM 62 N HIS A 5 34.289 -5.268 -13.455 1.00 0.00 N ATOM 63 CA HIS A 5 33.333 -6.251 -13.950 1.00 0.00 C ATOM 64 C HIS A 5 32.039 -5.576 -14.396 1.00 0.00 C ATOM 65 O HIS A 5 31.552 -4.653 -13.744 1.00 0.00 O ATOM 66 CB HIS A 5 33.034 -7.293 -12.872 1.00 0.00 C ATOM 67 CG HIS A 5 32.371 -6.725 -11.655 1.00 0.00 C ATOM 68 ND1 HIS A 5 32.881 -5.654 -10.951 1.00 0.00 N ATOM 69 CD2 HIS A 5 31.233 -7.084 -11.016 1.00 0.00 C ATOM 70 CE1 HIS A 5 32.085 -5.379 -9.932 1.00 0.00 C ATOM 71 NE2 HIS A 5 31.078 -6.232 -9.950 1.00 0.00 N ATOM 0 H HIS A 5 33.865 -4.452 -13.014 1.00 0.00 H new ATOM 0 HA HIS A 5 33.777 -6.749 -14.812 1.00 0.00 H new ATOM 0 HB2 HIS A 5 32.395 -8.068 -13.295 1.00 0.00 H new ATOM 0 HB3 HIS A 5 33.966 -7.775 -12.576 1.00 0.00 H new ATOM 0 HD2 HIS A 5 30.570 -7.890 -11.293 1.00 0.00 H new ATOM 0 HE1 HIS A 5 32.233 -4.591 -9.208 1.00 0.00 H new ATOM 0 HE2 HIS A 5 30.309 -6.255 -9.280 1.00 0.00 H new ATOM 80 N HIS A 6 31.489 -6.043 -15.513 1.00 0.00 N ATOM 81 CA HIS A 6 30.253 -5.485 -16.046 1.00 0.00 C ATOM 82 C HIS A 6 29.455 -6.546 -16.797 1.00 0.00 C ATOM 83 O HIS A 6 30.013 -7.538 -17.267 1.00 0.00 O ATOM 84 CB HIS A 6 30.559 -4.309 -16.975 1.00 0.00 C ATOM 85 CG HIS A 6 29.336 -3.609 -17.480 1.00 0.00 C ATOM 86 ND1 HIS A 6 28.332 -3.154 -16.651 1.00 0.00 N ATOM 87 CD2 HIS A 6 28.955 -3.286 -18.739 1.00 0.00 C ATOM 88 CE1 HIS A 6 27.388 -2.582 -17.378 1.00 0.00 C ATOM 89 NE2 HIS A 6 27.742 -2.649 -18.647 1.00 0.00 N ATOM 0 H HIS A 6 31.880 -6.806 -16.065 1.00 0.00 H new ATOM 0 HA HIS A 6 29.653 -5.131 -15.208 1.00 0.00 H new ATOM 0 HB2 HIS A 6 31.185 -3.591 -16.445 1.00 0.00 H new ATOM 0 HB3 HIS A 6 31.138 -4.670 -17.825 1.00 0.00 H new ATOM 0 HD2 HIS A 6 29.503 -3.491 -19.647 1.00 0.00 H new ATOM 0 HE1 HIS A 6 26.481 -2.136 -16.998 1.00 0.00 H new ATOM 0 HE2 HIS A 6 27.202 -2.286 -19.433 1.00 0.00 H new ATOM 98 N HIS A 7 28.149 -6.331 -16.903 1.00 0.00 N ATOM 99 CA HIS A 7 27.273 -7.270 -17.596 1.00 0.00 C ATOM 100 C HIS A 7 25.873 -6.687 -17.760 1.00 0.00 C ATOM 101 O HIS A 7 24.873 -7.374 -17.550 1.00 0.00 O ATOM 102 CB HIS A 7 27.204 -8.594 -16.833 1.00 0.00 C ATOM 103 CG HIS A 7 26.534 -9.691 -17.599 1.00 0.00 C ATOM 104 ND1 HIS A 7 27.113 -10.314 -18.685 1.00 0.00 N ATOM 105 CD2 HIS A 7 25.327 -10.281 -17.430 1.00 0.00 C ATOM 106 CE1 HIS A 7 26.291 -11.237 -19.150 1.00 0.00 C ATOM 107 NE2 HIS A 7 25.201 -11.238 -18.406 1.00 0.00 N ATOM 0 H HIS A 7 27.673 -5.515 -16.518 1.00 0.00 H new ATOM 0 HA HIS A 7 27.688 -7.453 -18.587 1.00 0.00 H new ATOM 0 HB2 HIS A 7 28.215 -8.908 -16.574 1.00 0.00 H new ATOM 0 HB3 HIS A 7 26.669 -8.437 -15.896 1.00 0.00 H new ATOM 0 HD2 HIS A 7 24.599 -10.043 -16.669 1.00 0.00 H new ATOM 0 HE1 HIS A 7 26.479 -11.882 -19.996 1.00 0.00 H new ATOM 0 HE2 HIS A 7 24.396 -11.850 -18.535 1.00 0.00 H new ATOM 116 N HIS A 8 25.809 -5.414 -18.136 1.00 0.00 N ATOM 117 CA HIS A 8 24.532 -4.735 -18.328 1.00 0.00 C ATOM 118 C HIS A 8 24.566 -3.858 -19.575 1.00 0.00 C ATOM 119 O HIS A 8 24.707 -2.638 -19.486 1.00 0.00 O ATOM 120 CB HIS A 8 24.195 -3.886 -17.101 1.00 0.00 C ATOM 121 CG HIS A 8 22.726 -3.770 -16.838 1.00 0.00 C ATOM 122 ND1 HIS A 8 21.766 -4.011 -17.800 1.00 0.00 N ATOM 123 CD2 HIS A 8 22.051 -3.438 -15.711 1.00 0.00 C ATOM 124 CE1 HIS A 8 20.567 -3.830 -17.276 1.00 0.00 C ATOM 125 NE2 HIS A 8 20.712 -3.482 -16.011 1.00 0.00 N ATOM 0 H HIS A 8 26.627 -4.831 -18.314 1.00 0.00 H new ATOM 0 HA HIS A 8 23.760 -5.493 -18.460 1.00 0.00 H new ATOM 0 HB2 HIS A 8 24.679 -4.319 -16.226 1.00 0.00 H new ATOM 0 HB3 HIS A 8 24.612 -2.888 -17.235 1.00 0.00 H new ATOM 0 HD2 HIS A 8 22.485 -3.186 -14.755 1.00 0.00 H new ATOM 0 HE1 HIS A 8 19.627 -3.947 -17.795 1.00 0.00 H new ATOM 0 HE2 HIS A 8 19.952 -3.279 -15.362 1.00 0.00 H new ATOM 134 N HIS A 9 24.436 -4.486 -20.740 1.00 0.00 N ATOM 135 CA HIS A 9 24.453 -3.760 -22.005 1.00 0.00 C ATOM 136 C HIS A 9 23.638 -4.494 -23.065 1.00 0.00 C ATOM 137 O HIS A 9 23.730 -5.714 -23.200 1.00 0.00 O ATOM 138 CB HIS A 9 25.892 -3.575 -22.490 1.00 0.00 C ATOM 139 CG HIS A 9 26.034 -2.533 -23.556 1.00 0.00 C ATOM 140 ND1 HIS A 9 25.187 -1.452 -23.671 1.00 0.00 N ATOM 141 CD2 HIS A 9 26.934 -2.412 -24.561 1.00 0.00 C ATOM 142 CE1 HIS A 9 25.558 -0.711 -24.701 1.00 0.00 C ATOM 143 NE2 HIS A 9 26.618 -1.272 -25.256 1.00 0.00 N ATOM 0 H HIS A 9 24.318 -5.495 -20.834 1.00 0.00 H new ATOM 0 HA HIS A 9 24.003 -2.781 -21.840 1.00 0.00 H new ATOM 0 HB2 HIS A 9 26.521 -3.304 -21.642 1.00 0.00 H new ATOM 0 HB3 HIS A 9 26.264 -4.526 -22.871 1.00 0.00 H new ATOM 0 HD2 HIS A 9 27.749 -3.087 -24.775 1.00 0.00 H new ATOM 0 HE1 HIS A 9 25.077 0.197 -25.032 1.00 0.00 H new ATOM 0 HE2 HIS A 9 27.120 -0.915 -26.069 1.00 0.00 H new ATOM 152 N HIS A 10 22.839 -3.741 -23.817 1.00 0.00 N ATOM 153 CA HIS A 10 22.008 -4.320 -24.866 1.00 0.00 C ATOM 154 C HIS A 10 22.870 -4.938 -25.962 1.00 0.00 C ATOM 155 O HIS A 10 24.099 -4.920 -25.884 1.00 0.00 O ATOM 156 CB HIS A 10 21.086 -3.251 -25.461 1.00 0.00 C ATOM 157 CG HIS A 10 19.634 -3.614 -25.400 1.00 0.00 C ATOM 158 ND1 HIS A 10 18.696 -3.116 -26.280 1.00 0.00 N ATOM 159 CD2 HIS A 10 18.959 -4.430 -24.556 1.00 0.00 C ATOM 160 CE1 HIS A 10 17.507 -3.611 -25.980 1.00 0.00 C ATOM 161 NE2 HIS A 10 17.641 -4.410 -24.939 1.00 0.00 N ATOM 0 H HIS A 10 22.750 -2.730 -23.719 1.00 0.00 H new ATOM 0 HA HIS A 10 21.399 -5.108 -24.423 1.00 0.00 H new ATOM 0 HB2 HIS A 10 21.240 -2.312 -24.929 1.00 0.00 H new ATOM 0 HB3 HIS A 10 21.366 -3.078 -26.500 1.00 0.00 H new ATOM 0 HD2 HIS A 10 19.379 -4.992 -23.735 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.584 -3.398 -26.499 1.00 0.00 H new ATOM 0 HE2 HIS A 10 16.886 -4.930 -24.491 1.00 0.00 H new ATOM 170 N THR A 11 22.219 -5.485 -26.985 1.00 0.00 N ATOM 171 CA THR A 11 22.929 -6.109 -28.095 1.00 0.00 C ATOM 172 C THR A 11 22.233 -5.820 -29.420 1.00 0.00 C ATOM 173 O THR A 11 21.053 -6.129 -29.594 1.00 0.00 O ATOM 174 CB THR A 11 23.032 -7.620 -27.877 1.00 0.00 C ATOM 175 OG1 THR A 11 21.815 -8.138 -27.371 1.00 0.00 O ATOM 176 CG2 THR A 11 24.134 -8.010 -26.915 1.00 0.00 C ATOM 0 H THR A 11 21.203 -5.508 -27.067 1.00 0.00 H new ATOM 0 HA THR A 11 23.933 -5.685 -28.135 1.00 0.00 H new ATOM 0 HB THR A 11 23.261 -8.040 -28.857 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.062 -7.718 -27.837 1.00 0.00 H new ATOM 0 HG21 THR A 11 24.154 -9.094 -26.804 1.00 0.00 H new ATOM 0 HG22 THR A 11 25.093 -7.667 -27.303 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.950 -7.550 -25.944 1.00 0.00 H new ATOM 184 N ASP A 12 22.971 -5.228 -30.353 1.00 0.00 N ATOM 185 CA ASP A 12 22.427 -4.898 -31.665 1.00 0.00 C ATOM 186 C ASP A 12 21.250 -3.936 -31.546 1.00 0.00 C ATOM 187 O ASP A 12 20.117 -4.352 -31.301 1.00 0.00 O ATOM 188 CB ASP A 12 21.984 -6.166 -32.395 1.00 0.00 C ATOM 189 CG ASP A 12 23.084 -7.207 -32.466 1.00 0.00 C ATOM 190 OD1 ASP A 12 24.266 -6.832 -32.312 1.00 0.00 O ATOM 191 OD2 ASP A 12 22.765 -8.395 -32.675 1.00 0.00 O ATOM 0 H ASP A 12 23.949 -4.967 -30.225 1.00 0.00 H new ATOM 0 HA ASP A 12 23.216 -4.411 -32.238 1.00 0.00 H new ATOM 0 HB2 ASP A 12 21.118 -6.591 -31.887 1.00 0.00 H new ATOM 0 HB3 ASP A 12 21.666 -5.908 -33.405 1.00 0.00 H new ATOM 196 N PRO A 13 21.500 -2.630 -31.737 1.00 0.00 N ATOM 197 CA PRO A 13 20.454 -1.607 -31.668 1.00 0.00 C ATOM 198 C PRO A 13 19.524 -1.651 -32.874 1.00 0.00 C ATOM 199 O PRO A 13 18.598 -0.848 -32.972 1.00 0.00 O ATOM 200 CB PRO A 13 21.243 -0.298 -31.659 1.00 0.00 C ATOM 201 CG PRO A 13 22.505 -0.616 -32.382 1.00 0.00 C ATOM 202 CD PRO A 13 22.821 -2.048 -32.051 1.00 0.00 C ATOM 0 HA PRO A 13 19.808 -1.742 -30.800 1.00 0.00 H new ATOM 0 HB2 PRO A 13 20.692 0.501 -32.156 1.00 0.00 H new ATOM 0 HB3 PRO A 13 21.443 0.038 -30.641 1.00 0.00 H new ATOM 0 HG2 PRO A 13 22.384 -0.481 -33.457 1.00 0.00 H new ATOM 0 HG3 PRO A 13 23.313 0.045 -32.067 1.00 0.00 H new ATOM 0 HD2 PRO A 13 23.295 -2.558 -32.889 1.00 0.00 H new ATOM 0 HD3 PRO A 13 23.504 -2.123 -31.205 1.00 0.00 H new ATOM 210 N MET A 14 19.779 -2.572 -33.807 1.00 0.00 N ATOM 211 CA MET A 14 18.954 -2.663 -35.004 1.00 0.00 C ATOM 212 C MET A 14 18.945 -1.309 -35.685 1.00 0.00 C ATOM 213 O MET A 14 17.921 -0.859 -36.190 1.00 0.00 O ATOM 214 CB MET A 14 17.529 -3.086 -34.643 1.00 0.00 C ATOM 215 CG MET A 14 16.918 -4.069 -35.627 1.00 0.00 C ATOM 216 SD MET A 14 15.798 -5.239 -34.836 1.00 0.00 S ATOM 217 CE MET A 14 14.325 -5.024 -35.832 1.00 0.00 C ATOM 0 H MET A 14 20.537 -3.252 -33.755 1.00 0.00 H new ATOM 0 HA MET A 14 19.365 -3.415 -35.678 1.00 0.00 H new ATOM 0 HB2 MET A 14 17.533 -3.534 -33.650 1.00 0.00 H new ATOM 0 HB3 MET A 14 16.898 -2.199 -34.590 1.00 0.00 H new ATOM 0 HG2 MET A 14 16.377 -3.518 -36.396 1.00 0.00 H new ATOM 0 HG3 MET A 14 17.715 -4.618 -36.129 1.00 0.00 H new ATOM 0 HE1 MET A 14 13.646 -5.860 -35.663 1.00 0.00 H new ATOM 0 HE2 MET A 14 13.831 -4.093 -35.554 1.00 0.00 H new ATOM 0 HE3 MET A 14 14.600 -4.988 -36.886 1.00 0.00 H new ATOM 227 N SER A 15 20.096 -0.639 -35.648 1.00 0.00 N ATOM 228 CA SER A 15 20.208 0.696 -36.222 1.00 0.00 C ATOM 229 C SER A 15 19.107 1.577 -35.644 1.00 0.00 C ATOM 230 O SER A 15 18.618 2.501 -36.295 1.00 0.00 O ATOM 231 CB SER A 15 20.099 0.638 -37.749 1.00 0.00 C ATOM 232 OG SER A 15 21.198 1.286 -38.364 1.00 0.00 O ATOM 0 H SER A 15 20.955 -0.997 -35.230 1.00 0.00 H new ATOM 0 HA SER A 15 21.182 1.116 -35.972 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.057 -0.401 -38.074 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.170 1.110 -38.068 1.00 0.00 H new ATOM 0 HG SER A 15 21.105 1.233 -39.338 1.00 0.00 H new ATOM 238 N ALA A 16 18.708 1.252 -34.414 1.00 0.00 N ATOM 239 CA ALA A 16 17.649 1.969 -33.728 1.00 0.00 C ATOM 240 C ALA A 16 16.341 1.827 -34.497 1.00 0.00 C ATOM 241 O ALA A 16 15.522 2.744 -34.545 1.00 0.00 O ATOM 242 CB ALA A 16 18.031 3.423 -33.536 1.00 0.00 C ATOM 0 H ALA A 16 19.112 0.487 -33.873 1.00 0.00 H new ATOM 0 HA ALA A 16 17.505 1.536 -32.738 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.226 3.946 -33.020 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.943 3.484 -32.942 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.200 3.886 -34.508 1.00 0.00 H new ATOM 248 N ILE A 17 16.170 0.652 -35.098 1.00 0.00 N ATOM 249 CA ILE A 17 14.982 0.332 -35.877 1.00 0.00 C ATOM 250 C ILE A 17 13.775 0.107 -34.966 1.00 0.00 C ATOM 251 O ILE A 17 13.597 -0.977 -34.411 1.00 0.00 O ATOM 252 CB ILE A 17 15.232 -0.924 -36.747 1.00 0.00 C ATOM 253 CG1 ILE A 17 16.020 -0.553 -38.005 1.00 0.00 C ATOM 254 CG2 ILE A 17 13.928 -1.601 -37.128 1.00 0.00 C ATOM 255 CD1 ILE A 17 16.855 -1.692 -38.552 1.00 0.00 C ATOM 0 H ILE A 17 16.853 -0.104 -35.057 1.00 0.00 H new ATOM 0 HA ILE A 17 14.767 1.179 -36.529 1.00 0.00 H new ATOM 0 HB ILE A 17 15.817 -1.628 -36.155 1.00 0.00 H new ATOM 0 HG12 ILE A 17 15.324 -0.221 -38.775 1.00 0.00 H new ATOM 0 HG13 ILE A 17 16.673 0.290 -37.780 1.00 0.00 H new ATOM 0 HG21 ILE A 17 14.139 -2.479 -37.738 1.00 0.00 H new ATOM 0 HG22 ILE A 17 13.399 -1.905 -36.225 1.00 0.00 H new ATOM 0 HG23 ILE A 17 13.309 -0.905 -37.694 1.00 0.00 H new ATOM 0 HD11 ILE A 17 17.386 -1.358 -39.443 1.00 0.00 H new ATOM 0 HD12 ILE A 17 17.575 -2.010 -37.798 1.00 0.00 H new ATOM 0 HD13 ILE A 17 16.205 -2.529 -38.809 1.00 0.00 H new ATOM 267 N GLN A 18 12.951 1.140 -34.820 1.00 0.00 N ATOM 268 CA GLN A 18 11.760 1.059 -33.982 1.00 0.00 C ATOM 269 C GLN A 18 12.126 0.731 -32.538 1.00 0.00 C ATOM 270 O GLN A 18 13.294 0.510 -32.217 1.00 0.00 O ATOM 271 CB GLN A 18 10.796 0.004 -34.528 1.00 0.00 C ATOM 272 CG GLN A 18 10.171 0.385 -35.861 1.00 0.00 C ATOM 273 CD GLN A 18 9.577 -0.806 -36.587 1.00 0.00 C ATOM 274 OE1 GLN A 18 10.034 -1.181 -37.667 1.00 0.00 O ATOM 275 NE2 GLN A 18 8.551 -1.408 -35.997 1.00 0.00 N ATOM 0 H GLN A 18 13.087 2.044 -35.272 1.00 0.00 H new ATOM 0 HA GLN A 18 11.271 2.033 -33.999 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.330 -0.940 -34.642 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.003 -0.164 -33.799 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.392 1.129 -35.694 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.927 0.851 -36.493 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.204 -1.064 -35.102 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.110 -2.214 -36.439 1.00 0.00 H new ATOM 284 N ASN A 19 11.118 0.702 -31.672 1.00 0.00 N ATOM 285 CA ASN A 19 11.329 0.404 -30.259 1.00 0.00 C ATOM 286 C ASN A 19 10.906 -1.026 -29.927 1.00 0.00 C ATOM 287 O ASN A 19 11.294 -1.572 -28.894 1.00 0.00 O ATOM 288 CB ASN A 19 10.549 1.391 -29.388 1.00 0.00 C ATOM 289 CG ASN A 19 11.316 2.676 -29.145 1.00 0.00 C ATOM 290 OD1 ASN A 19 10.912 3.749 -29.596 1.00 0.00 O ATOM 291 ND2 ASN A 19 12.429 2.576 -28.427 1.00 0.00 N ATOM 0 H ASN A 19 10.146 0.881 -31.924 1.00 0.00 H new ATOM 0 HA ASN A 19 12.394 0.503 -30.051 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.599 1.623 -29.868 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.317 0.923 -28.431 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.985 3.408 -28.230 1.00 0.00 H new ATOM 0 HD22 ASN A 19 12.727 1.667 -28.073 1.00 0.00 H new ATOM 298 N LEU A 20 10.107 -1.630 -30.804 1.00 0.00 N ATOM 299 CA LEU A 20 9.633 -2.996 -30.598 1.00 0.00 C ATOM 300 C LEU A 20 10.795 -3.947 -30.329 1.00 0.00 C ATOM 301 O LEU A 20 11.959 -3.581 -30.483 1.00 0.00 O ATOM 302 CB LEU A 20 8.842 -3.473 -31.818 1.00 0.00 C ATOM 303 CG LEU A 20 7.368 -3.068 -31.835 1.00 0.00 C ATOM 304 CD1 LEU A 20 7.227 -1.558 -31.713 1.00 0.00 C ATOM 305 CD2 LEU A 20 6.694 -3.568 -33.103 1.00 0.00 C ATOM 0 H LEU A 20 9.774 -1.195 -31.664 1.00 0.00 H new ATOM 0 HA LEU A 20 8.981 -2.996 -29.725 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.320 -3.083 -32.717 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.905 -4.560 -31.870 1.00 0.00 H new ATOM 0 HG LEU A 20 6.874 -3.528 -30.979 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.171 -1.289 -31.727 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.674 -1.225 -30.776 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.735 -1.076 -32.548 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.645 -3.271 -33.099 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.190 -3.137 -33.973 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.763 -4.655 -33.147 1.00 0.00 H new ATOM 317 N HIS A 21 10.467 -5.170 -29.923 1.00 0.00 N ATOM 318 CA HIS A 21 11.481 -6.177 -29.631 1.00 0.00 C ATOM 319 C HIS A 21 10.851 -7.558 -29.493 1.00 0.00 C ATOM 320 O HIS A 21 10.569 -8.015 -28.384 1.00 0.00 O ATOM 321 CB HIS A 21 12.235 -5.816 -28.350 1.00 0.00 C ATOM 322 CG HIS A 21 13.435 -6.677 -28.098 1.00 0.00 C ATOM 323 ND1 HIS A 21 14.516 -6.730 -28.952 1.00 0.00 N ATOM 324 CD2 HIS A 21 13.720 -7.522 -27.079 1.00 0.00 C ATOM 325 CE1 HIS A 21 15.415 -7.570 -28.470 1.00 0.00 C ATOM 326 NE2 HIS A 21 14.956 -8.065 -27.335 1.00 0.00 N ATOM 0 H HIS A 21 9.507 -5.487 -29.789 1.00 0.00 H new ATOM 0 HA HIS A 21 12.185 -6.200 -30.463 1.00 0.00 H new ATOM 0 HB2 HIS A 21 12.551 -4.774 -28.405 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.555 -5.898 -27.502 1.00 0.00 H new ATOM 0 HD2 HIS A 21 13.093 -7.730 -26.225 1.00 0.00 H new ATOM 0 HE1 HIS A 21 16.364 -7.811 -28.927 1.00 0.00 H new ATOM 0 HE2 HIS A 21 15.440 -8.741 -26.744 1.00 0.00 H new ATOM 335 N SER A 22 10.632 -8.220 -30.624 1.00 0.00 N ATOM 336 CA SER A 22 10.034 -9.551 -30.628 1.00 0.00 C ATOM 337 C SER A 22 10.880 -10.531 -29.824 1.00 0.00 C ATOM 338 O SER A 22 12.012 -10.842 -30.195 1.00 0.00 O ATOM 339 CB SER A 22 9.875 -10.056 -32.064 1.00 0.00 C ATOM 340 OG SER A 22 8.587 -9.753 -32.572 1.00 0.00 O ATOM 0 H SER A 22 10.859 -7.857 -31.550 1.00 0.00 H new ATOM 0 HA SER A 22 9.051 -9.482 -30.162 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.636 -9.602 -32.699 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.037 -11.134 -32.094 1.00 0.00 H new ATOM 0 HG SER A 22 8.512 -10.085 -33.491 1.00 0.00 H new ATOM 346 N PHE A 23 10.323 -11.015 -28.717 1.00 0.00 N ATOM 347 CA PHE A 23 11.027 -11.960 -27.858 1.00 0.00 C ATOM 348 C PHE A 23 11.300 -13.267 -28.595 1.00 0.00 C ATOM 349 O PHE A 23 10.436 -13.786 -29.303 1.00 0.00 O ATOM 350 CB PHE A 23 10.212 -12.236 -26.593 1.00 0.00 C ATOM 351 CG PHE A 23 11.050 -12.645 -25.416 1.00 0.00 C ATOM 352 CD1 PHE A 23 11.642 -11.690 -24.604 1.00 0.00 C ATOM 353 CD2 PHE A 23 11.248 -13.985 -25.120 1.00 0.00 C ATOM 354 CE1 PHE A 23 12.413 -12.063 -23.520 1.00 0.00 C ATOM 355 CE2 PHE A 23 12.019 -14.364 -24.038 1.00 0.00 C ATOM 356 CZ PHE A 23 12.602 -13.402 -23.236 1.00 0.00 C ATOM 0 H PHE A 23 9.387 -10.768 -28.395 1.00 0.00 H new ATOM 0 HA PHE A 23 11.982 -11.515 -27.578 1.00 0.00 H new ATOM 0 HB2 PHE A 23 9.647 -11.341 -26.333 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.486 -13.022 -26.802 1.00 0.00 H new ATOM 0 HD1 PHE A 23 11.499 -10.642 -24.821 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.794 -14.742 -25.743 1.00 0.00 H new ATOM 0 HE1 PHE A 23 12.868 -11.309 -22.895 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.166 -15.411 -23.819 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.204 -13.696 -22.389 1.00 0.00 H new ATOM 366 N ASP A 24 12.508 -13.796 -28.423 1.00 0.00 N ATOM 367 CA ASP A 24 12.897 -15.043 -29.071 1.00 0.00 C ATOM 368 C ASP A 24 12.843 -14.909 -30.592 1.00 0.00 C ATOM 369 O ASP A 24 12.053 -15.582 -31.256 1.00 0.00 O ATOM 370 CB ASP A 24 11.987 -16.185 -28.612 1.00 0.00 C ATOM 371 CG ASP A 24 12.541 -16.920 -27.406 1.00 0.00 C ATOM 372 OD1 ASP A 24 13.501 -16.410 -26.789 1.00 0.00 O ATOM 373 OD2 ASP A 24 12.015 -18.004 -27.080 1.00 0.00 O ATOM 0 H ASP A 24 13.234 -13.380 -27.840 1.00 0.00 H new ATOM 0 HA ASP A 24 13.924 -15.268 -28.783 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.002 -15.786 -28.369 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.852 -16.890 -29.432 1.00 0.00 H new ATOM 378 N PRO A 25 13.688 -14.036 -31.167 1.00 0.00 N ATOM 379 CA PRO A 25 13.733 -13.818 -32.618 1.00 0.00 C ATOM 380 C PRO A 25 13.992 -15.108 -33.388 1.00 0.00 C ATOM 381 O PRO A 25 13.604 -15.238 -34.549 1.00 0.00 O ATOM 382 CB PRO A 25 14.901 -12.844 -32.801 1.00 0.00 C ATOM 383 CG PRO A 25 15.055 -12.173 -31.481 1.00 0.00 C ATOM 384 CD PRO A 25 14.664 -13.194 -30.451 1.00 0.00 C ATOM 0 HA PRO A 25 12.785 -13.441 -33.001 1.00 0.00 H new ATOM 0 HB2 PRO A 25 15.813 -13.370 -33.085 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.692 -12.121 -33.589 1.00 0.00 H new ATOM 0 HG2 PRO A 25 16.082 -11.839 -31.330 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.420 -11.290 -31.416 1.00 0.00 H new ATOM 0 HD2 PRO A 25 15.523 -13.773 -30.111 1.00 0.00 H new ATOM 0 HD3 PRO A 25 14.224 -12.729 -29.569 1.00 0.00 H new ATOM 392 N PHE A 26 14.653 -16.060 -32.736 1.00 0.00 N ATOM 393 CA PHE A 26 14.968 -17.342 -33.361 1.00 0.00 C ATOM 394 C PHE A 26 14.175 -18.472 -32.710 1.00 0.00 C ATOM 395 O PHE A 26 14.678 -19.583 -32.544 1.00 0.00 O ATOM 396 CB PHE A 26 16.474 -17.634 -33.275 1.00 0.00 C ATOM 397 CG PHE A 26 17.219 -16.750 -32.311 1.00 0.00 C ATOM 398 CD1 PHE A 26 17.646 -15.490 -32.697 1.00 0.00 C ATOM 399 CD2 PHE A 26 17.488 -17.180 -31.023 1.00 0.00 C ATOM 400 CE1 PHE A 26 18.330 -14.675 -31.815 1.00 0.00 C ATOM 401 CE2 PHE A 26 18.173 -16.371 -30.136 1.00 0.00 C ATOM 402 CZ PHE A 26 18.594 -15.116 -30.532 1.00 0.00 C ATOM 0 H PHE A 26 14.981 -15.968 -31.775 1.00 0.00 H new ATOM 0 HA PHE A 26 14.685 -17.281 -34.412 1.00 0.00 H new ATOM 0 HB2 PHE A 26 16.615 -18.674 -32.980 1.00 0.00 H new ATOM 0 HB3 PHE A 26 16.912 -17.521 -34.267 1.00 0.00 H new ATOM 0 HD1 PHE A 26 17.442 -15.141 -33.698 1.00 0.00 H new ATOM 0 HD2 PHE A 26 17.159 -18.159 -30.707 1.00 0.00 H new ATOM 0 HE1 PHE A 26 18.658 -13.695 -32.128 1.00 0.00 H new ATOM 0 HE2 PHE A 26 18.379 -16.719 -29.135 1.00 0.00 H new ATOM 0 HZ PHE A 26 19.128 -14.481 -29.841 1.00 0.00 H new ATOM 412 N ALA A 27 12.929 -18.181 -32.346 1.00 0.00 N ATOM 413 CA ALA A 27 12.066 -19.175 -31.717 1.00 0.00 C ATOM 414 C ALA A 27 10.602 -18.751 -31.784 1.00 0.00 C ATOM 415 O ALA A 27 10.218 -17.723 -31.226 1.00 0.00 O ATOM 416 CB ALA A 27 12.487 -19.400 -30.272 1.00 0.00 C ATOM 0 H ALA A 27 12.496 -17.267 -32.476 1.00 0.00 H new ATOM 0 HA ALA A 27 12.172 -20.112 -32.265 1.00 0.00 H new ATOM 0 HB1 ALA A 27 11.835 -20.144 -29.815 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.517 -19.755 -30.244 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.411 -18.463 -29.721 1.00 0.00 H new ATOM 422 N ASP A 28 9.791 -19.550 -32.469 1.00 0.00 N ATOM 423 CA ASP A 28 8.369 -19.259 -32.609 1.00 0.00 C ATOM 424 C ASP A 28 7.586 -19.777 -31.406 1.00 0.00 C ATOM 425 O ASP A 28 6.857 -20.764 -31.506 1.00 0.00 O ATOM 426 CB ASP A 28 7.823 -19.879 -33.897 1.00 0.00 C ATOM 427 CG ASP A 28 8.133 -21.359 -34.003 1.00 0.00 C ATOM 428 OD1 ASP A 28 7.325 -22.172 -33.506 1.00 0.00 O ATOM 429 OD2 ASP A 28 9.185 -21.706 -34.580 1.00 0.00 O ATOM 0 H ASP A 28 10.094 -20.405 -32.936 1.00 0.00 H new ATOM 0 HA ASP A 28 8.248 -18.177 -32.658 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.744 -19.733 -33.938 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.248 -19.359 -34.756 1.00 0.00 H new ATOM 434 N ALA A 29 7.745 -19.106 -30.271 1.00 0.00 N ATOM 435 CA ALA A 29 7.054 -19.499 -29.049 1.00 0.00 C ATOM 436 C ALA A 29 5.553 -19.261 -29.166 1.00 0.00 C ATOM 437 O ALA A 29 5.103 -18.446 -29.971 1.00 0.00 O ATOM 438 CB ALA A 29 7.619 -18.740 -27.858 1.00 0.00 C ATOM 0 H ALA A 29 8.346 -18.288 -30.172 1.00 0.00 H new ATOM 0 HA ALA A 29 7.215 -20.566 -28.897 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.094 -19.043 -26.952 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.681 -18.964 -27.755 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.487 -17.669 -28.013 1.00 0.00 H new ATOM 444 N SER A 30 4.781 -19.979 -28.356 1.00 0.00 N ATOM 445 CA SER A 30 3.328 -19.846 -28.367 1.00 0.00 C ATOM 446 C SER A 30 2.757 -20.220 -29.730 1.00 0.00 C ATOM 447 O SER A 30 2.749 -19.408 -30.655 1.00 0.00 O ATOM 448 CB SER A 30 2.921 -18.416 -28.005 1.00 0.00 C ATOM 449 OG SER A 30 3.967 -17.745 -27.323 1.00 0.00 O ATOM 0 H SER A 30 5.137 -20.659 -27.684 1.00 0.00 H new ATOM 0 HA SER A 30 2.921 -20.531 -27.623 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.663 -17.868 -28.911 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.029 -18.436 -27.379 1.00 0.00 H new ATOM 0 HG SER A 30 3.683 -16.833 -27.104 1.00 0.00 H new ATOM 455 N LYS A 31 2.278 -21.454 -29.847 1.00 0.00 N ATOM 456 CA LYS A 31 1.703 -21.936 -31.099 1.00 0.00 C ATOM 457 C LYS A 31 0.309 -21.356 -31.314 1.00 0.00 C ATOM 458 O LYS A 31 -0.202 -20.613 -30.474 1.00 0.00 O ATOM 459 CB LYS A 31 1.638 -23.464 -31.098 1.00 0.00 C ATOM 460 CG LYS A 31 1.881 -24.083 -32.467 1.00 0.00 C ATOM 461 CD LYS A 31 3.054 -25.051 -32.444 1.00 0.00 C ATOM 462 CE LYS A 31 3.232 -25.741 -33.787 1.00 0.00 C ATOM 463 NZ LYS A 31 4.621 -26.247 -33.972 1.00 0.00 N ATOM 0 H LYS A 31 2.276 -22.139 -29.091 1.00 0.00 H new ATOM 0 HA LYS A 31 2.344 -21.607 -31.917 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.377 -23.851 -30.397 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.659 -23.778 -30.735 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.983 -24.607 -32.795 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.074 -23.294 -33.194 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.966 -24.513 -32.186 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.895 -25.799 -31.667 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.530 -26.571 -33.864 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.990 -25.043 -34.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.701 -26.711 -34.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.289 -25.452 -33.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.844 -26.932 -33.222 1.00 0.00 H new ATOM 477 N GLY A 32 -0.302 -21.697 -32.443 1.00 0.00 N ATOM 478 CA GLY A 32 -1.632 -21.201 -32.748 1.00 0.00 C ATOM 479 C GLY A 32 -2.662 -22.310 -32.837 1.00 0.00 C ATOM 480 O GLY A 32 -3.679 -22.169 -33.516 1.00 0.00 O ATOM 0 H GLY A 32 0.100 -22.309 -33.153 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.935 -20.489 -31.980 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.605 -20.658 -33.693 1.00 0.00 H new ATOM 484 N ASP A 33 -2.399 -23.416 -32.148 1.00 0.00 N ATOM 485 CA ASP A 33 -3.312 -24.553 -32.152 1.00 0.00 C ATOM 486 C ASP A 33 -4.051 -24.663 -30.822 1.00 0.00 C ATOM 487 O ASP A 33 -5.267 -24.848 -30.789 1.00 0.00 O ATOM 488 CB ASP A 33 -2.547 -25.848 -32.432 1.00 0.00 C ATOM 489 CG ASP A 33 -3.416 -26.903 -33.087 1.00 0.00 C ATOM 490 OD1 ASP A 33 -4.657 -26.802 -32.977 1.00 0.00 O ATOM 491 OD2 ASP A 33 -2.857 -27.830 -33.711 1.00 0.00 O ATOM 0 H ASP A 33 -1.562 -23.549 -31.580 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.045 -24.394 -32.943 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.695 -25.631 -33.077 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.147 -26.240 -31.497 1.00 0.00 H new ATOM 496 N ASP A 34 -3.307 -24.545 -29.727 1.00 0.00 N ATOM 497 CA ASP A 34 -3.891 -24.631 -28.394 1.00 0.00 C ATOM 498 C ASP A 34 -3.228 -23.639 -27.443 1.00 0.00 C ATOM 499 O ASP A 34 -2.142 -23.893 -26.924 1.00 0.00 O ATOM 500 CB ASP A 34 -3.752 -26.051 -27.844 1.00 0.00 C ATOM 501 CG ASP A 34 -4.447 -26.226 -26.509 1.00 0.00 C ATOM 502 OD1 ASP A 34 -5.405 -25.472 -26.235 1.00 0.00 O ATOM 503 OD2 ASP A 34 -4.034 -27.115 -25.735 1.00 0.00 O ATOM 0 H ASP A 34 -2.299 -24.390 -29.737 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.949 -24.380 -28.472 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.168 -26.758 -28.562 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.695 -26.293 -27.734 1.00 0.00 H new ATOM 508 N LEU A 35 -3.890 -22.508 -27.220 1.00 0.00 N ATOM 509 CA LEU A 35 -3.365 -21.478 -26.331 1.00 0.00 C ATOM 510 C LEU A 35 -3.194 -22.019 -24.915 1.00 0.00 C ATOM 511 O LEU A 35 -4.113 -21.954 -24.099 1.00 0.00 O ATOM 512 CB LEU A 35 -4.296 -20.264 -26.316 1.00 0.00 C ATOM 513 CG LEU A 35 -3.855 -19.121 -25.401 1.00 0.00 C ATOM 514 CD1 LEU A 35 -2.953 -18.154 -26.152 1.00 0.00 C ATOM 515 CD2 LEU A 35 -5.067 -18.393 -24.837 1.00 0.00 C ATOM 0 H LEU A 35 -4.790 -22.282 -27.642 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.388 -21.173 -26.706 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.385 -19.881 -27.333 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.290 -20.591 -26.010 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.289 -19.543 -24.570 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.649 -17.347 -25.485 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.069 -18.683 -26.508 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.494 -17.738 -27.002 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.735 -17.583 -24.188 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.659 -17.983 -25.656 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.676 -19.091 -24.263 1.00 0.00 H new ATOM 527 N LEU A 36 -2.011 -22.556 -24.630 1.00 0.00 N ATOM 528 CA LEU A 36 -1.721 -23.109 -23.313 1.00 0.00 C ATOM 529 C LEU A 36 -1.859 -22.040 -22.231 1.00 0.00 C ATOM 530 O LEU A 36 -1.457 -20.893 -22.429 1.00 0.00 O ATOM 531 CB LEU A 36 -0.308 -23.698 -23.285 1.00 0.00 C ATOM 532 CG LEU A 36 -0.130 -24.993 -24.082 1.00 0.00 C ATOM 533 CD1 LEU A 36 1.345 -25.271 -24.324 1.00 0.00 C ATOM 534 CD2 LEU A 36 -0.783 -26.159 -23.353 1.00 0.00 C ATOM 0 H LEU A 36 -1.239 -22.619 -25.294 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.443 -23.900 -23.112 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.387 -22.953 -23.671 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.030 -23.886 -22.248 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.619 -24.875 -25.049 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.453 -26.195 -24.892 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.783 -24.446 -24.886 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.858 -25.371 -23.368 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.648 -27.072 -23.933 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.322 -26.280 -22.373 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.848 -25.961 -23.231 1.00 0.00 H new ATOM 546 N PRO A 37 -2.429 -22.399 -21.065 1.00 0.00 N ATOM 547 CA PRO A 37 -2.613 -21.457 -19.954 1.00 0.00 C ATOM 548 C PRO A 37 -1.298 -20.831 -19.503 1.00 0.00 C ATOM 549 O PRO A 37 -0.310 -20.839 -20.240 1.00 0.00 O ATOM 550 CB PRO A 37 -3.202 -22.324 -18.835 1.00 0.00 C ATOM 551 CG PRO A 37 -3.797 -23.499 -19.529 1.00 0.00 C ATOM 552 CD PRO A 37 -2.938 -23.743 -20.737 1.00 0.00 C ATOM 0 HA PRO A 37 -3.249 -20.618 -20.237 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.432 -22.632 -18.128 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.956 -21.778 -18.268 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.811 -24.372 -18.877 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.829 -23.301 -19.817 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.127 -24.439 -20.521 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.512 -24.168 -21.560 1.00 0.00 H new ATOM 560 N ALA A 38 -1.290 -20.291 -18.289 1.00 0.00 N ATOM 561 CA ALA A 38 -0.095 -19.662 -17.738 1.00 0.00 C ATOM 562 C ALA A 38 0.314 -18.445 -18.562 1.00 0.00 C ATOM 563 O ALA A 38 1.096 -18.556 -19.505 1.00 0.00 O ATOM 564 CB ALA A 38 1.048 -20.664 -17.670 1.00 0.00 C ATOM 0 H ALA A 38 -2.098 -20.276 -17.667 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.326 -19.324 -16.728 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.933 -20.179 -17.257 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.761 -21.500 -17.033 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.270 -21.031 -18.672 1.00 0.00 H new ATOM 570 N GLY A 39 -0.222 -17.284 -18.198 1.00 0.00 N ATOM 571 CA GLY A 39 0.097 -16.062 -18.912 1.00 0.00 C ATOM 572 C GLY A 39 -0.414 -14.827 -18.197 1.00 0.00 C ATOM 573 O GLY A 39 -1.579 -14.457 -18.341 1.00 0.00 O ATOM 0 H GLY A 39 -0.872 -17.168 -17.421 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.178 -15.987 -19.034 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.335 -16.105 -19.912 1.00 0.00 H new ATOM 577 N THR A 40 0.459 -14.188 -17.425 1.00 0.00 N ATOM 578 CA THR A 40 0.091 -12.986 -16.681 1.00 0.00 C ATOM 579 C THR A 40 1.257 -12.488 -15.828 1.00 0.00 C ATOM 580 O THR A 40 1.399 -11.288 -15.601 1.00 0.00 O ATOM 581 CB THR A 40 -1.125 -13.259 -15.790 1.00 0.00 C ATOM 582 OG1 THR A 40 -1.276 -14.649 -15.561 1.00 0.00 O ATOM 583 CG2 THR A 40 -2.424 -12.747 -16.377 1.00 0.00 C ATOM 0 H THR A 40 1.427 -14.482 -17.297 1.00 0.00 H new ATOM 0 HA THR A 40 -0.163 -12.211 -17.404 1.00 0.00 H new ATOM 0 HB THR A 40 -0.929 -12.724 -14.861 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.057 -14.803 -14.989 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.245 -12.973 -15.696 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.358 -11.669 -16.521 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.605 -13.231 -17.337 1.00 0.00 H new ATOM 591 N GLU A 41 2.084 -13.418 -15.355 1.00 0.00 N ATOM 592 CA GLU A 41 3.236 -13.076 -14.523 1.00 0.00 C ATOM 593 C GLU A 41 2.803 -12.620 -13.130 1.00 0.00 C ATOM 594 O GLU A 41 3.621 -12.139 -12.345 1.00 0.00 O ATOM 595 CB GLU A 41 4.084 -11.990 -15.193 1.00 0.00 C ATOM 596 CG GLU A 41 5.457 -12.475 -15.627 1.00 0.00 C ATOM 597 CD GLU A 41 6.532 -12.173 -14.602 1.00 0.00 C ATOM 598 OE1 GLU A 41 6.600 -11.016 -14.136 1.00 0.00 O ATOM 599 OE2 GLU A 41 7.305 -13.094 -14.264 1.00 0.00 O ATOM 0 H GLU A 41 1.977 -14.416 -15.534 1.00 0.00 H new ATOM 0 HA GLU A 41 3.840 -13.977 -14.412 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.550 -11.609 -16.063 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.204 -11.156 -14.502 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.420 -13.550 -15.803 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.721 -12.006 -16.575 1.00 0.00 H new ATOM 606 N ASP A 42 1.517 -12.776 -12.825 1.00 0.00 N ATOM 607 CA ASP A 42 0.983 -12.383 -11.524 1.00 0.00 C ATOM 608 C ASP A 42 1.342 -10.938 -11.201 1.00 0.00 C ATOM 609 O ASP A 42 1.996 -10.654 -10.198 1.00 0.00 O ATOM 610 CB ASP A 42 1.512 -13.313 -10.429 1.00 0.00 C ATOM 611 CG ASP A 42 0.444 -13.687 -9.421 1.00 0.00 C ATOM 612 OD1 ASP A 42 -0.166 -12.768 -8.834 1.00 0.00 O ATOM 613 OD2 ASP A 42 0.217 -14.898 -9.218 1.00 0.00 O ATOM 0 H ASP A 42 0.825 -13.172 -13.462 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.103 -12.465 -11.566 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.909 -14.219 -10.887 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.340 -12.827 -9.913 1.00 0.00 H new ATOM 618 N TYR A 43 0.909 -10.027 -12.062 1.00 0.00 N ATOM 619 CA TYR A 43 1.184 -8.611 -11.873 1.00 0.00 C ATOM 620 C TYR A 43 0.584 -8.109 -10.565 1.00 0.00 C ATOM 621 O TYR A 43 -0.232 -8.788 -9.942 1.00 0.00 O ATOM 622 CB TYR A 43 0.634 -7.798 -13.046 1.00 0.00 C ATOM 623 CG TYR A 43 1.228 -8.174 -14.388 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.477 -8.781 -14.483 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.534 -7.918 -15.565 1.00 0.00 C ATOM 626 CE1 TYR A 43 3.013 -9.120 -15.710 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.066 -8.256 -16.795 1.00 0.00 C ATOM 628 CZ TYR A 43 2.304 -8.856 -16.862 1.00 0.00 C ATOM 629 OH TYR A 43 2.836 -9.193 -18.086 1.00 0.00 O ATOM 0 H TYR A 43 0.366 -10.244 -12.898 1.00 0.00 H new ATOM 0 HA TYR A 43 2.265 -8.482 -11.829 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.447 -7.928 -13.090 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.821 -6.740 -12.861 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.036 -8.990 -13.583 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.437 -7.447 -15.517 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.984 -9.590 -15.766 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.513 -8.051 -17.700 1.00 0.00 H new ATOM 0 HH TYR A 43 2.209 -8.940 -18.796 1.00 0.00 H new ATOM 639 N ILE A 44 0.991 -6.912 -10.157 1.00 0.00 N ATOM 640 CA ILE A 44 0.493 -6.313 -8.926 1.00 0.00 C ATOM 641 C ILE A 44 -0.268 -5.026 -9.231 1.00 0.00 C ATOM 642 O ILE A 44 0.329 -3.976 -9.466 1.00 0.00 O ATOM 643 CB ILE A 44 1.644 -6.028 -7.939 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.334 -7.335 -7.541 1.00 0.00 C ATOM 645 CG2 ILE A 44 1.130 -5.301 -6.703 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.383 -8.385 -7.006 1.00 0.00 C ATOM 0 H ILE A 44 1.665 -6.337 -10.662 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.187 -7.025 -8.458 1.00 0.00 H new ATOM 0 HB ILE A 44 2.370 -5.384 -8.434 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.857 -7.739 -8.408 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.089 -7.122 -6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.959 -5.111 -6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.679 -4.354 -6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.383 -5.917 -6.203 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.942 -9.283 -6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.878 -8.001 -6.119 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.643 -8.628 -7.768 1.00 0.00 H new ATOM 658 N HIS A 45 -1.592 -5.131 -9.245 1.00 0.00 N ATOM 659 CA HIS A 45 -2.455 -3.993 -9.543 1.00 0.00 C ATOM 660 C HIS A 45 -2.534 -3.011 -8.377 1.00 0.00 C ATOM 661 O HIS A 45 -2.761 -3.399 -7.234 1.00 0.00 O ATOM 662 CB HIS A 45 -3.859 -4.488 -9.899 1.00 0.00 C ATOM 663 CG HIS A 45 -4.301 -4.107 -11.278 1.00 0.00 C ATOM 664 ND1 HIS A 45 -3.936 -4.810 -12.407 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.091 -3.093 -11.706 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.480 -4.244 -13.470 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.185 -3.202 -13.073 1.00 0.00 N ATOM 0 H HIS A 45 -2.094 -5.998 -9.052 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.020 -3.463 -10.390 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.886 -5.574 -9.806 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.570 -4.088 -9.176 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.559 -2.340 -11.089 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.367 -4.578 -14.491 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.714 -2.578 -13.682 1.00 0.00 H new ATOM 676 N ILE A 46 -2.361 -1.732 -8.690 1.00 0.00 N ATOM 677 CA ILE A 46 -2.436 -0.672 -7.683 1.00 0.00 C ATOM 678 C ILE A 46 -3.862 -0.098 -7.623 1.00 0.00 C ATOM 679 O ILE A 46 -4.741 -0.709 -7.015 1.00 0.00 O ATOM 680 CB ILE A 46 -1.413 0.451 -7.970 1.00 0.00 C ATOM 681 CG1 ILE A 46 0.007 -0.124 -8.007 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.519 1.555 -6.927 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.517 -0.583 -6.657 1.00 0.00 C ATOM 0 H ILE A 46 -2.167 -1.400 -9.635 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.188 -1.108 -6.715 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.638 0.884 -8.945 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.030 -0.966 -8.699 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.685 0.632 -8.403 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.790 2.335 -7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.523 1.980 -6.947 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.320 1.142 -5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.528 -0.977 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.528 0.260 -5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.137 -1.363 -6.267 1.00 0.00 H new ATOM 695 N ARG A 47 -4.098 1.058 -8.270 1.00 0.00 N ATOM 696 CA ARG A 47 -5.425 1.684 -8.305 1.00 0.00 C ATOM 697 C ARG A 47 -5.626 2.673 -7.163 1.00 0.00 C ATOM 698 O ARG A 47 -5.390 2.360 -5.996 1.00 0.00 O ATOM 699 CB ARG A 47 -6.540 0.632 -8.284 1.00 0.00 C ATOM 700 CG ARG A 47 -7.866 1.139 -8.832 1.00 0.00 C ATOM 701 CD ARG A 47 -7.732 1.609 -10.272 1.00 0.00 C ATOM 702 NE ARG A 47 -8.863 1.183 -11.094 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.029 -0.060 -11.540 1.00 0.00 C ATOM 704 NH1 ARG A 47 -8.141 -1.002 -11.246 1.00 0.00 N ATOM 705 NH2 ARG A 47 -10.085 -0.362 -12.282 1.00 0.00 N ATOM 0 H ARG A 47 -3.381 1.577 -8.777 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.479 2.237 -9.243 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.223 -0.233 -8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.687 0.290 -7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.611 0.346 -8.775 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.227 1.960 -8.212 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.658 2.696 -10.293 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.807 1.218 -10.697 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.566 1.879 -11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.326 -0.775 -10.676 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.273 -1.953 -11.590 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.770 0.358 -12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.212 -1.314 -12.624 1.00 0.00 H new ATOM 719 N ILE A 48 -6.083 3.867 -7.524 1.00 0.00 N ATOM 720 CA ILE A 48 -6.351 4.927 -6.559 1.00 0.00 C ATOM 721 C ILE A 48 -7.857 5.085 -6.367 1.00 0.00 C ATOM 722 O ILE A 48 -8.648 4.496 -7.104 1.00 0.00 O ATOM 723 CB ILE A 48 -5.746 6.276 -7.033 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.820 6.868 -5.973 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.828 7.287 -7.399 1.00 0.00 C ATOM 726 CD1 ILE A 48 -4.219 8.192 -6.396 1.00 0.00 C ATOM 0 H ILE A 48 -6.278 4.127 -8.491 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.886 4.651 -5.613 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.165 6.062 -7.930 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.377 7.006 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.018 6.161 -5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.362 8.217 -7.725 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.442 6.887 -8.205 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.454 7.481 -6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.570 8.566 -5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.637 8.053 -7.307 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.017 8.911 -6.581 1.00 0.00 H new ATOM 738 N GLN A 49 -8.249 5.898 -5.397 1.00 0.00 N ATOM 739 CA GLN A 49 -9.661 6.141 -5.149 1.00 0.00 C ATOM 740 C GLN A 49 -9.864 7.413 -4.333 1.00 0.00 C ATOM 741 O GLN A 49 -9.719 7.415 -3.111 1.00 0.00 O ATOM 742 CB GLN A 49 -10.301 4.944 -4.442 1.00 0.00 C ATOM 743 CG GLN A 49 -9.784 4.716 -3.033 1.00 0.00 C ATOM 744 CD GLN A 49 -9.577 3.247 -2.719 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.760 2.575 -3.347 1.00 0.00 O ATOM 746 NE2 GLN A 49 -10.320 2.742 -1.741 1.00 0.00 N ATOM 0 H GLN A 49 -7.614 6.397 -4.774 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.151 6.275 -6.113 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.380 5.091 -4.403 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.123 4.046 -5.034 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.841 5.247 -2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.489 5.141 -2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.985 3.337 -1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.225 1.759 -1.484 1.00 0.00 H new ATOM 755 N GLN A 50 -10.204 8.496 -5.024 1.00 0.00 N ATOM 756 CA GLN A 50 -10.432 9.780 -4.376 1.00 0.00 C ATOM 757 C GLN A 50 -11.918 10.117 -4.357 1.00 0.00 C ATOM 758 O GLN A 50 -12.453 10.667 -5.319 1.00 0.00 O ATOM 759 CB GLN A 50 -9.651 10.882 -5.098 1.00 0.00 C ATOM 760 CG GLN A 50 -9.160 11.992 -4.180 1.00 0.00 C ATOM 761 CD GLN A 50 -8.158 12.905 -4.859 1.00 0.00 C ATOM 762 OE1 GLN A 50 -7.234 13.453 -4.079 1.00 0.00 O flip ATOM 763 NE2 GLN A 50 -8.212 13.113 -6.071 1.00 0.00 N flip ATOM 0 H GLN A 50 -10.328 8.508 -6.036 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.080 9.713 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.794 10.436 -5.603 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.285 11.317 -5.871 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.012 12.581 -3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.703 11.551 -3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.940 12.671 -6.632 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.529 13.728 -6.514 1.00 0.00 H new ATOM 772 N ARG A 51 -12.582 9.784 -3.253 1.00 0.00 N ATOM 773 CA ARG A 51 -14.010 10.054 -3.109 1.00 0.00 C ATOM 774 C ARG A 51 -14.300 11.525 -3.375 1.00 0.00 C ATOM 775 O ARG A 51 -14.804 11.889 -4.438 1.00 0.00 O ATOM 776 CB ARG A 51 -14.485 9.671 -1.706 1.00 0.00 C ATOM 777 CG ARG A 51 -14.564 8.170 -1.478 1.00 0.00 C ATOM 778 CD ARG A 51 -14.192 7.803 -0.051 1.00 0.00 C ATOM 779 NE ARG A 51 -14.674 6.474 0.318 1.00 0.00 N ATOM 780 CZ ARG A 51 -14.245 5.800 1.383 1.00 0.00 C ATOM 781 NH1 ARG A 51 -13.326 6.325 2.185 1.00 0.00 N ATOM 782 NH2 ARG A 51 -14.738 4.598 1.647 1.00 0.00 N ATOM 0 H ARG A 51 -12.155 9.328 -2.447 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.551 9.452 -3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.808 10.106 -0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.468 10.109 -1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.574 7.821 -1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.896 7.660 -2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.108 7.839 0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.608 8.542 0.633 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.380 6.037 -0.275 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.944 7.250 1.987 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.002 5.803 2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.445 4.191 1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.410 4.080 2.463 1.00 0.00 H new ATOM 796 N ASN A 52 -13.963 12.370 -2.408 1.00 0.00 N ATOM 797 CA ASN A 52 -14.167 13.804 -2.541 1.00 0.00 C ATOM 798 C ASN A 52 -13.018 14.414 -3.343 1.00 0.00 C ATOM 799 O ASN A 52 -12.422 13.742 -4.185 1.00 0.00 O ATOM 800 CB ASN A 52 -14.266 14.459 -1.158 1.00 0.00 C ATOM 801 CG ASN A 52 -15.013 13.602 -0.155 1.00 0.00 C ATOM 802 OD1 ASN A 52 -16.111 13.117 -0.430 1.00 0.00 O ATOM 803 ND2 ASN A 52 -14.419 13.411 1.018 1.00 0.00 N ATOM 0 H ASN A 52 -13.546 12.084 -1.522 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.102 13.984 -3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -13.262 14.658 -0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.768 15.422 -1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.873 12.843 1.733 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -13.509 13.832 1.203 1.00 0.00 H new ATOM 810 N GLY A 53 -12.701 15.678 -3.081 1.00 0.00 N ATOM 811 CA GLY A 53 -11.616 16.324 -3.792 1.00 0.00 C ATOM 812 C GLY A 53 -10.295 16.208 -3.055 1.00 0.00 C ATOM 813 O GLY A 53 -9.478 17.127 -3.090 1.00 0.00 O ATOM 0 H GLY A 53 -13.174 16.263 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.517 15.879 -4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.857 17.377 -3.938 1.00 0.00 H new ATOM 817 N ARG A 54 -10.083 15.074 -2.387 1.00 0.00 N ATOM 818 CA ARG A 54 -8.847 14.850 -1.641 1.00 0.00 C ATOM 819 C ARG A 54 -8.842 13.493 -0.935 1.00 0.00 C ATOM 820 O ARG A 54 -7.779 12.925 -0.691 1.00 0.00 O ATOM 821 CB ARG A 54 -8.638 15.962 -0.611 1.00 0.00 C ATOM 822 CG ARG A 54 -9.806 16.126 0.350 1.00 0.00 C ATOM 823 CD ARG A 54 -9.916 17.556 0.855 1.00 0.00 C ATOM 824 NE ARG A 54 -8.641 18.057 1.366 1.00 0.00 N ATOM 825 CZ ARG A 54 -8.434 19.321 1.726 1.00 0.00 C ATOM 826 NH1 ARG A 54 -9.411 20.215 1.633 1.00 0.00 N ATOM 827 NH2 ARG A 54 -7.244 19.694 2.180 1.00 0.00 N ATOM 0 H ARG A 54 -10.747 14.301 -2.348 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.030 14.858 -2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.734 15.752 -0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.473 16.904 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.732 15.843 -0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.681 15.449 1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.261 18.200 0.046 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.667 17.605 1.644 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.866 17.400 1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.327 19.935 1.284 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.245 21.182 1.911 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.489 19.012 2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.084 20.663 2.456 1.00 0.00 H new ATOM 841 N LYS A 55 -10.026 12.986 -0.598 1.00 0.00 N ATOM 842 CA LYS A 55 -10.139 11.700 0.090 1.00 0.00 C ATOM 843 C LYS A 55 -9.658 10.552 -0.797 1.00 0.00 C ATOM 844 O LYS A 55 -10.446 9.702 -1.210 1.00 0.00 O ATOM 845 CB LYS A 55 -11.586 11.456 0.522 1.00 0.00 C ATOM 846 CG LYS A 55 -11.761 10.228 1.401 1.00 0.00 C ATOM 847 CD LYS A 55 -10.888 10.300 2.644 1.00 0.00 C ATOM 848 CE LYS A 55 -11.224 11.518 3.490 1.00 0.00 C ATOM 849 NZ LYS A 55 -12.666 11.560 3.855 1.00 0.00 N ATOM 0 H LYS A 55 -10.918 13.443 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.502 11.736 0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.948 12.332 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.208 11.348 -0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.807 10.136 1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.510 9.333 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.022 9.395 3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.839 10.337 2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.620 11.507 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.962 12.424 2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.820 12.292 4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.231 11.782 3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.956 10.635 4.232 1.00 0.00 H new ATOM 863 N THR A 56 -8.360 10.536 -1.080 1.00 0.00 N ATOM 864 CA THR A 56 -7.764 9.498 -1.914 1.00 0.00 C ATOM 865 C THR A 56 -7.401 8.272 -1.086 1.00 0.00 C ATOM 866 O THR A 56 -7.324 8.340 0.141 1.00 0.00 O ATOM 867 CB THR A 56 -6.519 10.036 -2.620 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.548 11.449 -2.682 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.361 9.517 -4.032 1.00 0.00 C ATOM 0 H THR A 56 -7.697 11.234 -0.742 1.00 0.00 H new ATOM 0 HA THR A 56 -8.500 9.202 -2.661 1.00 0.00 H new ATOM 0 HB THR A 56 -5.676 9.685 -2.025 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.365 11.740 -3.600 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.458 9.938 -4.475 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.284 8.430 -4.014 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.227 9.809 -4.626 1.00 0.00 H new ATOM 877 N LEU A 57 -7.181 7.150 -1.765 1.00 0.00 N ATOM 878 CA LEU A 57 -6.828 5.905 -1.092 1.00 0.00 C ATOM 879 C LEU A 57 -6.207 4.911 -2.074 1.00 0.00 C ATOM 880 O LEU A 57 -6.918 4.163 -2.744 1.00 0.00 O ATOM 881 CB LEU A 57 -8.070 5.289 -0.445 1.00 0.00 C ATOM 882 CG LEU A 57 -8.218 5.549 1.056 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.679 5.467 1.469 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.378 4.560 1.853 1.00 0.00 C ATOM 0 H LEU A 57 -7.241 7.078 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.093 6.131 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.954 5.674 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.051 4.212 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.858 6.555 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.766 5.654 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.254 6.214 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.066 4.474 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.495 4.759 2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.708 3.544 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.329 4.668 1.577 1.00 0.00 H new ATOM 896 N THR A 58 -4.881 4.907 -2.154 1.00 0.00 N ATOM 897 CA THR A 58 -4.171 4.004 -3.056 1.00 0.00 C ATOM 898 C THR A 58 -4.221 2.567 -2.545 1.00 0.00 C ATOM 899 O THR A 58 -3.714 2.265 -1.467 1.00 0.00 O ATOM 900 CB THR A 58 -2.718 4.450 -3.215 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.650 5.802 -3.633 1.00 0.00 O ATOM 902 CG2 THR A 58 -1.944 3.620 -4.218 1.00 0.00 C ATOM 0 H THR A 58 -4.275 5.518 -1.606 1.00 0.00 H new ATOM 0 HA THR A 58 -4.665 4.040 -4.027 1.00 0.00 H new ATOM 0 HB THR A 58 -2.267 4.318 -2.232 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.006 6.381 -2.927 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.920 3.989 -4.283 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.935 2.578 -3.898 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.419 3.695 -5.196 1.00 0.00 H new ATOM 910 N THR A 59 -4.835 1.681 -3.325 1.00 0.00 N ATOM 911 CA THR A 59 -4.944 0.278 -2.939 1.00 0.00 C ATOM 912 C THR A 59 -3.887 -0.570 -3.638 1.00 0.00 C ATOM 913 O THR A 59 -3.295 -0.151 -4.632 1.00 0.00 O ATOM 914 CB THR A 59 -6.337 -0.264 -3.262 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.937 0.478 -4.309 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.278 -0.235 -2.078 1.00 0.00 C ATOM 0 H THR A 59 -5.262 1.908 -4.223 1.00 0.00 H new ATOM 0 HA THR A 59 -4.779 0.219 -1.863 1.00 0.00 H new ATOM 0 HB THR A 59 -6.181 -1.302 -3.557 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.532 1.158 -3.929 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.248 -0.633 -2.375 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.868 -0.843 -1.272 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.397 0.792 -1.733 1.00 0.00 H new ATOM 924 N VAL A 60 -3.661 -1.769 -3.111 1.00 0.00 N ATOM 925 CA VAL A 60 -2.682 -2.685 -3.683 1.00 0.00 C ATOM 926 C VAL A 60 -3.260 -4.089 -3.820 1.00 0.00 C ATOM 927 O VAL A 60 -3.568 -4.746 -2.824 1.00 0.00 O ATOM 928 CB VAL A 60 -1.401 -2.747 -2.830 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.370 -3.669 -3.469 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.828 -1.353 -2.637 1.00 0.00 C ATOM 0 H VAL A 60 -4.144 -2.129 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.429 -2.301 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.658 -3.154 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.526 -3.697 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.784 -4.674 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.114 -3.296 -4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.077 -1.412 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.588 -0.921 -3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.562 -0.725 -2.132 1.00 0.00 H new ATOM 940 N GLN A 61 -3.398 -4.541 -5.062 1.00 0.00 N ATOM 941 CA GLN A 61 -3.933 -5.870 -5.344 1.00 0.00 C ATOM 942 C GLN A 61 -2.867 -6.747 -5.991 1.00 0.00 C ATOM 943 O GLN A 61 -2.090 -6.284 -6.826 1.00 0.00 O ATOM 944 CB GLN A 61 -5.167 -5.785 -6.255 1.00 0.00 C ATOM 945 CG GLN A 61 -5.595 -4.366 -6.601 1.00 0.00 C ATOM 946 CD GLN A 61 -6.941 -4.304 -7.303 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.676 -3.327 -7.168 1.00 0.00 O ATOM 948 NE2 GLN A 61 -7.270 -5.345 -8.063 1.00 0.00 N ATOM 0 H GLN A 61 -3.146 -4.005 -5.893 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.234 -6.318 -4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -4.960 -6.325 -7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.999 -6.294 -5.768 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.641 -3.774 -5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.838 -3.910 -7.239 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.632 -6.136 -8.148 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.160 -5.352 -8.560 1.00 0.00 H new ATOM 957 N GLY A 62 -2.831 -8.013 -5.595 1.00 0.00 N ATOM 958 CA GLY A 62 -1.852 -8.935 -6.139 1.00 0.00 C ATOM 959 C GLY A 62 -0.857 -9.385 -5.091 1.00 0.00 C ATOM 960 O GLY A 62 -0.335 -10.499 -5.153 1.00 0.00 O ATOM 0 H GLY A 62 -3.464 -8.419 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.363 -9.805 -6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.321 -8.457 -6.962 1.00 0.00 H new ATOM 964 N ILE A 63 -0.600 -8.514 -4.120 1.00 0.00 N ATOM 965 CA ILE A 63 0.333 -8.820 -3.044 1.00 0.00 C ATOM 966 C ILE A 63 -0.189 -9.971 -2.192 1.00 0.00 C ATOM 967 O ILE A 63 -1.396 -10.130 -2.012 1.00 0.00 O ATOM 968 CB ILE A 63 0.587 -7.573 -2.158 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.435 -6.531 -2.908 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.258 -7.954 -0.842 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.416 -7.119 -3.900 1.00 0.00 C ATOM 0 H ILE A 63 -1.026 -7.589 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 63 1.279 -9.119 -3.496 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.383 -7.131 -1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.768 -5.850 -3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.986 -5.937 -2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.422 -7.057 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.617 -8.644 -0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.215 -8.434 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.971 -6.315 -4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.111 -7.777 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.873 -7.689 -4.654 1.00 0.00 H new ATOM 983 N ALA A 64 0.734 -10.774 -1.675 1.00 0.00 N ATOM 984 CA ALA A 64 0.372 -11.917 -0.847 1.00 0.00 C ATOM 985 C ALA A 64 -0.230 -11.470 0.478 1.00 0.00 C ATOM 986 O ALA A 64 -0.067 -10.323 0.894 1.00 0.00 O ATOM 987 CB ALA A 64 1.588 -12.798 -0.604 1.00 0.00 C ATOM 0 H ALA A 64 1.737 -10.654 -1.815 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.383 -12.494 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.303 -13.648 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.973 -13.158 -1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.360 -12.220 -0.095 1.00 0.00 H new ATOM 993 N ASP A 65 -0.924 -12.389 1.141 1.00 0.00 N ATOM 994 CA ASP A 65 -1.547 -12.097 2.427 1.00 0.00 C ATOM 995 C ASP A 65 -0.634 -12.508 3.577 1.00 0.00 C ATOM 996 O ASP A 65 -1.088 -12.699 4.706 1.00 0.00 O ATOM 997 CB ASP A 65 -2.893 -12.818 2.551 1.00 0.00 C ATOM 998 CG ASP A 65 -2.845 -14.243 2.032 1.00 0.00 C ATOM 999 OD1 ASP A 65 -2.245 -15.102 2.711 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.408 -14.498 0.946 1.00 0.00 O ATOM 0 H ASP A 65 -1.069 -13.342 0.809 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.715 -11.021 2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.201 -12.827 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.651 -12.261 2.001 1.00 0.00 H new ATOM 1005 N ASP A 66 0.656 -12.646 3.284 1.00 0.00 N ATOM 1006 CA ASP A 66 1.630 -13.035 4.293 1.00 0.00 C ATOM 1007 C ASP A 66 2.946 -12.293 4.090 1.00 0.00 C ATOM 1008 O ASP A 66 4.024 -12.853 4.286 1.00 0.00 O ATOM 1009 CB ASP A 66 1.866 -14.546 4.240 1.00 0.00 C ATOM 1010 CG ASP A 66 0.588 -15.337 4.446 1.00 0.00 C ATOM 1011 OD1 ASP A 66 0.086 -15.367 5.589 1.00 0.00 O ATOM 1012 OD2 ASP A 66 0.090 -15.927 3.463 1.00 0.00 O ATOM 0 H ASP A 66 1.049 -12.494 2.355 1.00 0.00 H new ATOM 0 HA ASP A 66 1.234 -12.769 5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.302 -14.810 3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.591 -14.825 5.005 1.00 0.00 H new ATOM 1017 N TYR A 67 2.850 -11.024 3.698 1.00 0.00 N ATOM 1018 CA TYR A 67 4.031 -10.199 3.469 1.00 0.00 C ATOM 1019 C TYR A 67 4.494 -9.528 4.763 1.00 0.00 C ATOM 1020 O TYR A 67 4.963 -8.389 4.745 1.00 0.00 O ATOM 1021 CB TYR A 67 3.722 -9.130 2.419 1.00 0.00 C ATOM 1022 CG TYR A 67 3.917 -9.580 0.986 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.008 -10.928 0.651 1.00 0.00 C ATOM 1024 CD2 TYR A 67 4.009 -8.646 -0.033 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.185 -11.324 -0.662 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.186 -9.034 -1.347 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.273 -10.373 -1.657 1.00 0.00 C ATOM 1028 OH TYR A 67 4.449 -10.764 -2.964 1.00 0.00 O ATOM 0 H TYR A 67 1.964 -10.546 3.533 1.00 0.00 H new ATOM 0 HA TYR A 67 4.832 -10.845 3.111 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.690 -8.802 2.546 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.357 -8.264 2.604 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.939 -11.675 1.428 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.941 -7.595 0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.254 -12.374 -0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.256 -8.291 -2.127 1.00 0.00 H new ATOM 0 HH TYR A 67 4.490 -9.972 -3.540 1.00 0.00 H new ATOM 1038 N ASP A 68 4.357 -10.235 5.884 1.00 0.00 N ATOM 1039 CA ASP A 68 4.757 -9.710 7.189 1.00 0.00 C ATOM 1040 C ASP A 68 3.747 -8.693 7.726 1.00 0.00 C ATOM 1041 O ASP A 68 3.872 -8.231 8.859 1.00 0.00 O ATOM 1042 CB ASP A 68 6.146 -9.073 7.105 1.00 0.00 C ATOM 1043 CG ASP A 68 6.948 -9.266 8.377 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.710 -8.517 9.348 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.814 -10.166 8.403 1.00 0.00 O ATOM 0 H ASP A 68 3.970 -11.178 5.914 1.00 0.00 H new ATOM 0 HA ASP A 68 4.787 -10.550 7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.691 -9.506 6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.042 -8.007 6.902 1.00 0.00 H new ATOM 1050 N LYS A 69 2.747 -8.349 6.912 1.00 0.00 N ATOM 1051 CA LYS A 69 1.721 -7.392 7.312 1.00 0.00 C ATOM 1052 C LYS A 69 2.339 -6.044 7.683 1.00 0.00 C ATOM 1053 O LYS A 69 2.343 -5.111 6.879 1.00 0.00 O ATOM 1054 CB LYS A 69 0.905 -7.945 8.486 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.154 -6.982 9.003 1.00 0.00 C ATOM 1056 CD LYS A 69 -0.645 -7.378 10.386 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.155 -7.546 10.415 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.576 -8.878 9.900 1.00 0.00 N ATOM 0 H LYS A 69 2.628 -8.722 5.970 1.00 0.00 H new ATOM 0 HA LYS A 69 1.056 -7.236 6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.421 -8.871 8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.583 -8.197 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.257 -5.973 9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.995 -6.960 8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.168 -8.310 10.689 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.349 -6.619 11.110 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.514 -7.422 11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.619 -6.762 9.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.613 -8.952 9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.255 -8.987 8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.154 -9.626 10.487 1.00 0.00 H new ATOM 1072 N LYS A 70 2.861 -5.949 8.904 1.00 0.00 N ATOM 1073 CA LYS A 70 3.482 -4.717 9.378 1.00 0.00 C ATOM 1074 C LYS A 70 4.499 -4.195 8.368 1.00 0.00 C ATOM 1075 O LYS A 70 4.356 -3.094 7.841 1.00 0.00 O ATOM 1076 CB LYS A 70 4.163 -4.951 10.729 1.00 0.00 C ATOM 1077 CG LYS A 70 3.261 -5.610 11.759 1.00 0.00 C ATOM 1078 CD LYS A 70 3.600 -5.154 13.169 1.00 0.00 C ATOM 1079 CE LYS A 70 2.639 -5.741 14.191 1.00 0.00 C ATOM 1080 NZ LYS A 70 1.313 -5.067 14.158 1.00 0.00 N ATOM 0 H LYS A 70 2.866 -6.711 9.582 1.00 0.00 H new ATOM 0 HA LYS A 70 2.699 -3.969 9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.045 -5.574 10.579 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.511 -3.995 11.121 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.220 -5.372 11.539 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.361 -6.693 11.692 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.620 -5.452 13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.565 -4.066 13.219 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.510 -6.806 13.998 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.069 -5.648 15.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.693 -5.485 14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.434 -4.052 14.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.883 -5.192 13.219 1.00 0.00 H new ATOM 1094 N LYS A 71 5.522 -4.998 8.097 1.00 0.00 N ATOM 1095 CA LYS A 71 6.563 -4.621 7.146 1.00 0.00 C ATOM 1096 C LYS A 71 5.964 -4.083 5.846 1.00 0.00 C ATOM 1097 O LYS A 71 6.608 -3.321 5.126 1.00 0.00 O ATOM 1098 CB LYS A 71 7.462 -5.822 6.844 1.00 0.00 C ATOM 1099 CG LYS A 71 8.914 -5.448 6.594 1.00 0.00 C ATOM 1100 CD LYS A 71 9.627 -5.087 7.887 1.00 0.00 C ATOM 1101 CE LYS A 71 11.117 -4.885 7.666 1.00 0.00 C ATOM 1102 NZ LYS A 71 11.446 -3.466 7.360 1.00 0.00 N ATOM 0 H LYS A 71 5.653 -5.916 8.523 1.00 0.00 H new ATOM 0 HA LYS A 71 7.157 -3.828 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.414 -6.520 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.074 -6.345 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.428 -6.281 6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.960 -4.605 5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.193 -4.177 8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.471 -5.877 8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.662 -5.200 8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.452 -5.520 6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.472 -3.371 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.946 -3.172 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.150 -2.862 8.153 1.00 0.00 H new ATOM 1116 N LEU A 72 4.732 -4.487 5.548 1.00 0.00 N ATOM 1117 CA LEU A 72 4.057 -4.046 4.333 1.00 0.00 C ATOM 1118 C LEU A 72 3.683 -2.566 4.405 1.00 0.00 C ATOM 1119 O LEU A 72 4.253 -1.741 3.691 1.00 0.00 O ATOM 1120 CB LEU A 72 2.803 -4.889 4.082 1.00 0.00 C ATOM 1121 CG LEU A 72 2.441 -5.084 2.609 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.065 -5.718 2.477 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.492 -3.756 1.867 1.00 0.00 C ATOM 0 H LEU A 72 4.182 -5.118 6.131 1.00 0.00 H new ATOM 0 HA LEU A 72 4.752 -4.180 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.944 -5.869 4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.960 -4.419 4.589 1.00 0.00 H new ATOM 0 HG LEU A 72 3.173 -5.756 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.824 -5.849 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.062 -6.689 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.320 -5.071 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.232 -3.914 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.783 -3.061 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.498 -3.341 1.932 1.00 0.00 H new ATOM 1135 N VAL A 73 2.717 -2.235 5.259 1.00 0.00 N ATOM 1136 CA VAL A 73 2.270 -0.848 5.400 1.00 0.00 C ATOM 1137 C VAL A 73 3.126 -0.078 6.399 1.00 0.00 C ATOM 1138 O VAL A 73 3.474 1.078 6.163 1.00 0.00 O ATOM 1139 CB VAL A 73 0.790 -0.749 5.826 1.00 0.00 C ATOM 1140 CG1 VAL A 73 -0.119 -0.789 4.608 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.423 -1.853 6.810 1.00 0.00 C ATOM 0 H VAL A 73 2.231 -2.901 5.860 1.00 0.00 H new ATOM 0 HA VAL A 73 2.379 -0.401 4.412 1.00 0.00 H new ATOM 0 HB VAL A 73 0.649 0.206 6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.159 -0.718 4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.117 0.048 3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.033 -1.726 4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.626 -1.756 7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.585 -2.825 6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.046 -1.769 7.700 1.00 0.00 H new ATOM 1151 N LYS A 74 3.469 -0.719 7.514 1.00 0.00 N ATOM 1152 CA LYS A 74 4.290 -0.080 8.539 1.00 0.00 C ATOM 1153 C LYS A 74 5.507 0.588 7.913 1.00 0.00 C ATOM 1154 O LYS A 74 5.888 1.696 8.292 1.00 0.00 O ATOM 1155 CB LYS A 74 4.739 -1.105 9.580 1.00 0.00 C ATOM 1156 CG LYS A 74 5.246 -0.480 10.870 1.00 0.00 C ATOM 1157 CD LYS A 74 5.926 -1.511 11.757 1.00 0.00 C ATOM 1158 CE LYS A 74 7.121 -0.917 12.485 1.00 0.00 C ATOM 1159 NZ LYS A 74 6.705 -0.032 13.606 1.00 0.00 N ATOM 0 H LYS A 74 3.192 -1.677 7.730 1.00 0.00 H new ATOM 0 HA LYS A 74 3.686 0.682 9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.904 -1.766 9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.527 -1.724 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.948 0.321 10.637 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.413 -0.027 11.408 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.211 -1.896 12.484 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.251 -2.356 11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.747 -1.721 12.871 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.729 -0.349 11.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.549 0.353 14.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.129 0.750 13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.146 -0.579 14.291 1.00 0.00 H new ATOM 1173 N ALA A 75 6.109 -0.093 6.944 1.00 0.00 N ATOM 1174 CA ALA A 75 7.277 0.437 6.254 1.00 0.00 C ATOM 1175 C ALA A 75 6.897 1.644 5.405 1.00 0.00 C ATOM 1176 O ALA A 75 7.679 2.582 5.256 1.00 0.00 O ATOM 1177 CB ALA A 75 7.920 -0.641 5.395 1.00 0.00 C ATOM 0 H ALA A 75 5.807 -1.012 6.620 1.00 0.00 H new ATOM 0 HA ALA A 75 8.002 0.760 7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.791 -0.229 4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.229 -1.474 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.201 -0.994 4.656 1.00 0.00 H new ATOM 1183 N PHE A 76 5.685 1.617 4.856 1.00 0.00 N ATOM 1184 CA PHE A 76 5.198 2.713 4.030 1.00 0.00 C ATOM 1185 C PHE A 76 5.150 4.005 4.838 1.00 0.00 C ATOM 1186 O PHE A 76 5.761 5.008 4.467 1.00 0.00 O ATOM 1187 CB PHE A 76 3.807 2.391 3.477 1.00 0.00 C ATOM 1188 CG PHE A 76 3.498 3.115 2.201 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.971 2.639 0.989 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.750 4.283 2.213 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.702 3.309 -0.187 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.481 4.958 1.040 1.00 0.00 C ATOM 1193 CZ PHE A 76 2.958 4.471 -0.162 1.00 0.00 C ATOM 0 H PHE A 76 5.025 0.848 4.969 1.00 0.00 H new ATOM 0 HA PHE A 76 5.885 2.844 3.194 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.730 1.317 3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.057 2.649 4.225 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.557 1.732 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.374 4.668 3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.073 2.925 -1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.898 5.867 1.061 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.749 4.999 -1.081 1.00 0.00 H new ATOM 1203 N LYS A 77 4.424 3.966 5.950 1.00 0.00 N ATOM 1204 CA LYS A 77 4.294 5.126 6.826 1.00 0.00 C ATOM 1205 C LYS A 77 5.660 5.620 7.299 1.00 0.00 C ATOM 1206 O LYS A 77 5.800 6.765 7.726 1.00 0.00 O ATOM 1207 CB LYS A 77 3.431 4.774 8.037 1.00 0.00 C ATOM 1208 CG LYS A 77 2.047 4.267 7.673 1.00 0.00 C ATOM 1209 CD LYS A 77 1.032 4.604 8.754 1.00 0.00 C ATOM 1210 CE LYS A 77 1.389 3.944 10.076 1.00 0.00 C ATOM 1211 NZ LYS A 77 0.492 4.386 11.179 1.00 0.00 N ATOM 0 H LYS A 77 3.915 3.141 6.267 1.00 0.00 H new ATOM 0 HA LYS A 77 3.818 5.924 6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.943 4.015 8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.331 5.656 8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.733 4.708 6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.080 3.187 7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.985 5.685 8.886 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.041 4.278 8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.326 2.861 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.422 4.180 10.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.769 3.913 12.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.570 5.416 11.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.491 4.138 10.947 1.00 0.00 H new ATOM 1225 N LYS A 78 6.662 4.752 7.231 1.00 0.00 N ATOM 1226 CA LYS A 78 8.009 5.108 7.663 1.00 0.00 C ATOM 1227 C LYS A 78 8.853 5.604 6.490 1.00 0.00 C ATOM 1228 O LYS A 78 9.850 6.299 6.685 1.00 0.00 O ATOM 1229 CB LYS A 78 8.687 3.901 8.313 1.00 0.00 C ATOM 1230 CG LYS A 78 8.694 3.951 9.832 1.00 0.00 C ATOM 1231 CD LYS A 78 9.943 4.639 10.359 1.00 0.00 C ATOM 1232 CE LYS A 78 9.831 4.940 11.844 1.00 0.00 C ATOM 1233 NZ LYS A 78 11.103 4.660 12.565 1.00 0.00 N ATOM 0 H LYS A 78 6.568 3.798 6.882 1.00 0.00 H new ATOM 0 HA LYS A 78 7.927 5.915 8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.179 2.992 7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.715 3.836 7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.809 4.481 10.184 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.639 2.938 10.231 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.811 4.005 10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.107 5.567 9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.558 5.986 11.983 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.029 4.341 12.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.985 4.878 13.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.351 3.656 12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.863 5.250 12.170 1.00 0.00 H new ATOM 1247 N LYS A 79 8.458 5.232 5.278 1.00 0.00 N ATOM 1248 CA LYS A 79 9.193 5.630 4.082 1.00 0.00 C ATOM 1249 C LYS A 79 8.587 6.868 3.425 1.00 0.00 C ATOM 1250 O LYS A 79 9.298 7.663 2.812 1.00 0.00 O ATOM 1251 CB LYS A 79 9.229 4.477 3.077 1.00 0.00 C ATOM 1252 CG LYS A 79 10.488 4.454 2.223 1.00 0.00 C ATOM 1253 CD LYS A 79 10.160 4.495 0.738 1.00 0.00 C ATOM 1254 CE LYS A 79 11.349 4.973 -0.082 1.00 0.00 C ATOM 1255 NZ LYS A 79 11.950 6.213 0.482 1.00 0.00 N ATOM 0 H LYS A 79 7.635 4.657 5.097 1.00 0.00 H new ATOM 0 HA LYS A 79 10.208 5.879 4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.148 3.533 3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.359 4.547 2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.118 5.305 2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.062 3.554 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.861 3.502 0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.311 5.157 0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.104 4.188 -0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.031 5.158 -1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.292 6.817 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.232 6.728 1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.746 5.962 1.102 1.00 0.00 H new ATOM 1269 N PHE A 80 7.271 7.023 3.539 1.00 0.00 N ATOM 1270 CA PHE A 80 6.588 8.164 2.932 1.00 0.00 C ATOM 1271 C PHE A 80 5.860 9.019 3.967 1.00 0.00 C ATOM 1272 O PHE A 80 5.472 10.150 3.677 1.00 0.00 O ATOM 1273 CB PHE A 80 5.597 7.677 1.874 1.00 0.00 C ATOM 1274 CG PHE A 80 6.166 6.628 0.964 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.860 6.987 -0.179 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.011 5.284 1.257 1.00 0.00 C ATOM 1277 CE1 PHE A 80 7.388 6.022 -1.016 1.00 0.00 C ATOM 1278 CE2 PHE A 80 6.536 4.315 0.426 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.226 4.685 -0.713 1.00 0.00 C ATOM 0 H PHE A 80 6.659 6.380 4.041 1.00 0.00 H new ATOM 0 HA PHE A 80 7.350 8.789 2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.714 7.276 2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.268 8.527 1.276 1.00 0.00 H new ATOM 0 HD1 PHE A 80 6.990 8.032 -0.419 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.473 4.990 2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.926 6.314 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.408 3.270 0.665 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.638 3.929 -1.365 1.00 0.00 H new ATOM 1289 N ALA A 81 5.666 8.480 5.168 1.00 0.00 N ATOM 1290 CA ALA A 81 4.973 9.210 6.225 1.00 0.00 C ATOM 1291 C ALA A 81 3.478 9.281 5.940 1.00 0.00 C ATOM 1292 O ALA A 81 2.802 10.230 6.336 1.00 0.00 O ATOM 1293 CB ALA A 81 5.552 10.612 6.378 1.00 0.00 C ATOM 0 H ALA A 81 5.977 7.545 5.432 1.00 0.00 H new ATOM 0 HA ALA A 81 5.119 8.672 7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.022 11.140 7.171 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.610 10.543 6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.439 11.157 5.441 1.00 0.00 H new ATOM 1299 N CYS A 82 2.968 8.266 5.248 1.00 0.00 N ATOM 1300 CA CYS A 82 1.552 8.205 4.906 1.00 0.00 C ATOM 1301 C CYS A 82 0.820 7.226 5.821 1.00 0.00 C ATOM 1302 O CYS A 82 1.326 6.860 6.881 1.00 0.00 O ATOM 1303 CB CYS A 82 1.378 7.791 3.442 1.00 0.00 C ATOM 1304 SG CYS A 82 2.464 8.670 2.293 1.00 0.00 S ATOM 0 H CYS A 82 3.516 7.474 4.913 1.00 0.00 H new ATOM 0 HA CYS A 82 1.121 9.196 5.045 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.563 6.721 3.354 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.342 7.961 3.148 1.00 0.00 H new ATOM 0 HG CYS A 82 2.401 8.110 1.122 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.371 6.803 5.406 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.165 5.867 6.189 1.00 0.00 C ATOM 1312 C ASN A 83 -1.447 4.603 5.379 1.00 0.00 C ATOM 1313 O ASN A 83 -2.061 4.660 4.314 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.471 6.537 6.641 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.642 5.574 6.730 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.212 5.232 5.582 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 -4.027 5.143 7.818 1.00 0.00 N flip ATOM 0 H ASN A 83 -0.806 7.095 4.531 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.603 5.578 7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.315 6.999 7.616 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.720 7.338 5.944 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.558 5.433 8.676 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.814 4.496 7.861 1.00 0.00 H new ATOM 1324 N GLY A 84 -0.992 3.464 5.891 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.204 2.204 5.204 1.00 0.00 C ATOM 1326 C GLY A 84 -2.106 1.268 5.983 1.00 0.00 C ATOM 1327 O GLY A 84 -1.749 0.810 7.068 1.00 0.00 O ATOM 0 H GLY A 84 -0.480 3.391 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.643 2.396 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.243 1.720 5.033 1.00 0.00 H new ATOM 1331 N THR A 85 -3.281 0.985 5.429 1.00 0.00 N ATOM 1332 CA THR A 85 -4.240 0.099 6.084 1.00 0.00 C ATOM 1333 C THR A 85 -4.456 -1.176 5.273 1.00 0.00 C ATOM 1334 O THR A 85 -4.195 -1.209 4.072 1.00 0.00 O ATOM 1335 CB THR A 85 -5.576 0.818 6.287 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.272 0.935 5.060 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.427 2.209 6.863 1.00 0.00 C ATOM 0 H THR A 85 -3.592 1.355 4.531 1.00 0.00 H new ATOM 0 HA THR A 85 -3.830 -0.177 7.055 1.00 0.00 H new ATOM 0 HB THR A 85 -6.128 0.205 6.999 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.661 1.261 4.367 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.412 2.661 6.981 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.936 2.150 7.834 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.826 2.819 6.189 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.934 -2.222 5.938 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.189 -3.500 5.280 1.00 0.00 C ATOM 1347 C VAL A 86 -6.687 -3.793 5.216 1.00 0.00 C ATOM 1348 O VAL A 86 -7.304 -4.141 6.223 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.475 -4.659 6.010 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.989 -4.800 7.436 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.644 -5.961 5.241 1.00 0.00 C ATOM 0 H VAL A 86 -5.153 -2.211 6.934 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.794 -3.423 4.267 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.411 -4.428 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.471 -5.622 7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.805 -3.875 7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.060 -5.004 7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.134 -6.765 5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.704 -6.198 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.215 -5.854 4.245 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.270 -3.645 4.030 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.697 -3.893 3.846 1.00 0.00 C ATOM 1363 C ILE A 87 -8.941 -5.040 2.871 1.00 0.00 C ATOM 1364 O ILE A 87 -8.114 -5.316 2.002 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.431 -2.637 3.330 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.939 -2.263 1.928 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.239 -1.474 4.291 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.983 -2.463 0.850 1.00 0.00 C ATOM 0 H ILE A 87 -6.779 -3.356 3.184 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.092 -4.161 4.826 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.496 -2.862 3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.623 -1.220 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.060 -2.862 1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.763 -0.597 3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.639 -1.740 5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.176 -1.250 4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.567 -2.179 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.282 -3.511 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.853 -1.843 1.067 1.00 0.00 H new ATOM 1380 N GLU A 88 -10.086 -5.698 3.011 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.441 -6.804 2.132 1.00 0.00 C ATOM 1382 C GLU A 88 -11.479 -6.359 1.109 1.00 0.00 C ATOM 1383 O GLU A 88 -12.658 -6.693 1.216 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.973 -7.986 2.941 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.706 -9.329 2.284 1.00 0.00 C ATOM 1386 CD GLU A 88 -11.920 -10.238 2.296 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -12.730 -10.133 3.241 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -12.060 -11.053 1.360 1.00 0.00 O ATOM 0 H GLU A 88 -10.783 -5.485 3.724 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.542 -7.122 1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.516 -7.976 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.047 -7.866 3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.388 -9.168 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.882 -9.823 2.799 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.027 -5.597 0.120 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.905 -5.093 -0.927 1.00 0.00 C ATOM 1397 C HIS A 89 -12.648 -6.231 -1.626 1.00 0.00 C ATOM 1398 O HIS A 89 -12.066 -7.279 -1.910 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.093 -4.298 -1.948 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.839 -3.144 -2.536 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.361 -3.160 -3.812 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.155 -1.934 -2.016 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -12.967 -2.010 -4.052 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -12.857 -1.249 -2.979 1.00 0.00 N ATOM 0 H HIS A 89 -10.052 -5.314 0.022 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.645 -4.442 -0.462 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.186 -3.928 -1.470 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.781 -4.966 -2.751 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.903 -1.575 -1.029 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.467 -1.739 -4.970 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.232 -0.306 -2.880 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.947 -6.040 -1.918 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.764 -7.052 -2.590 1.00 0.00 C ATOM 1415 C PRO A 90 -14.532 -7.075 -4.098 1.00 0.00 C ATOM 1416 O PRO A 90 -14.838 -8.060 -4.770 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.188 -6.602 -2.277 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.094 -5.118 -2.173 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.723 -4.819 -1.619 1.00 0.00 C ATOM 0 HA PRO A 90 -14.532 -8.062 -2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.881 -6.902 -3.063 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.549 -7.043 -1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.230 -4.650 -3.148 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.872 -4.724 -1.519 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.284 -3.940 -2.091 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.759 -4.620 -0.548 1.00 0.00 H new ATOM 1427 N GLU A 91 -13.987 -5.981 -4.623 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.711 -5.870 -6.051 1.00 0.00 C ATOM 1429 C GLU A 91 -12.394 -6.554 -6.408 1.00 0.00 C ATOM 1430 O GLU A 91 -12.190 -6.973 -7.546 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.669 -4.399 -6.465 1.00 0.00 C ATOM 1432 CG GLU A 91 -14.717 -4.025 -7.500 1.00 0.00 C ATOM 1433 CD GLU A 91 -14.261 -4.304 -8.919 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -13.702 -5.395 -9.160 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -14.463 -3.432 -9.790 1.00 0.00 O ATOM 0 H GLU A 91 -13.728 -5.158 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.513 -6.371 -6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.807 -3.778 -5.580 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.680 -4.171 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.633 -4.581 -7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.958 -2.967 -7.401 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.501 -6.659 -5.428 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.202 -7.289 -5.640 1.00 0.00 C ATOM 1444 C TYR A 92 -10.036 -8.508 -4.741 1.00 0.00 C ATOM 1445 O TYR A 92 -9.704 -9.597 -5.209 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.074 -6.287 -5.371 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.428 -4.860 -5.727 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.101 -4.566 -6.906 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.091 -3.809 -4.883 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.428 -3.264 -7.234 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.415 -2.504 -5.205 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.083 -2.238 -6.380 1.00 0.00 C ATOM 1453 OH TYR A 92 -10.407 -0.940 -6.704 1.00 0.00 O ATOM 0 H TYR A 92 -11.653 -6.316 -4.480 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.150 -7.615 -6.679 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.804 -6.332 -4.316 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.192 -6.585 -5.938 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.373 -5.367 -7.577 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.568 -4.015 -3.961 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.951 -3.051 -8.155 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.146 -1.698 -4.539 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.094 -0.338 -5.997 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.268 -8.317 -3.446 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.138 -9.410 -2.500 1.00 0.00 C ATOM 1465 C GLY A 93 -8.827 -9.368 -1.739 1.00 0.00 C ATOM 1466 O GLY A 93 -7.831 -9.946 -2.174 1.00 0.00 O ATOM 0 H GLY A 93 -10.544 -7.425 -3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.966 -9.374 -1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.215 -10.358 -3.033 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.827 -8.683 -0.599 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.631 -8.565 0.231 1.00 0.00 C ATOM 1472 C GLU A 94 -6.601 -7.647 -0.421 1.00 0.00 C ATOM 1473 O GLU A 94 -5.765 -8.093 -1.206 1.00 0.00 O ATOM 1474 CB GLU A 94 -7.016 -9.945 0.484 1.00 0.00 C ATOM 1475 CG GLU A 94 -6.503 -10.130 1.903 1.00 0.00 C ATOM 1476 CD GLU A 94 -6.410 -11.590 2.303 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -7.049 -12.431 1.636 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -5.697 -11.893 3.283 1.00 0.00 O ATOM 0 H GLU A 94 -9.645 -8.199 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.927 -8.128 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.763 -10.711 0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.194 -10.101 -0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.519 -9.669 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.164 -9.609 2.595 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.668 -6.362 -0.087 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.741 -5.379 -0.637 1.00 0.00 C ATOM 1487 C VAL A 95 -5.379 -4.324 0.403 1.00 0.00 C ATOM 1488 O VAL A 95 -6.189 -3.988 1.266 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.330 -4.681 -1.877 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.427 -5.654 -3.041 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.693 -4.086 -1.555 1.00 0.00 C ATOM 0 H VAL A 95 -7.355 -5.977 0.562 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.842 -5.922 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.663 -3.869 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.845 -5.143 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.433 -6.029 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.072 -6.488 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.095 -3.597 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.371 -4.879 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.591 -3.356 -0.752 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.161 -3.802 0.316 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.703 -2.782 1.252 1.00 0.00 C ATOM 1503 C ILE A 96 -4.166 -1.402 0.801 1.00 0.00 C ATOM 1504 O ILE A 96 -3.936 -1.002 -0.338 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.162 -2.821 1.412 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.794 -3.711 2.607 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.569 -1.421 1.570 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.988 -3.049 3.954 1.00 0.00 C ATOM 0 H ILE A 96 -3.475 -4.067 -0.391 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.143 -2.993 2.227 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.734 -3.243 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.397 -4.618 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.752 -4.017 2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.487 -1.494 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.805 -0.824 0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.991 -0.945 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.706 -3.744 4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.364 -2.157 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.034 -2.768 4.074 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.838 -0.690 1.699 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.357 0.636 1.390 1.00 0.00 C ATOM 1522 C GLN A 97 -4.467 1.741 1.952 1.00 0.00 C ATOM 1523 O GLN A 97 -4.425 1.968 3.162 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.779 0.787 1.939 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.819 1.071 0.866 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.162 1.471 1.446 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.246 2.365 2.286 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -10.220 0.807 0.996 1.00 0.00 N ATOM 0 H GLN A 97 -5.036 -1.010 2.647 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.370 0.737 0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.054 -0.126 2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.793 1.595 2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.457 1.867 0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.945 0.185 0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.102 0.072 0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.151 1.031 1.348 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.781 2.443 1.058 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.914 3.548 1.444 1.00 0.00 C ATOM 1539 C LEU A 98 -3.706 4.849 1.400 1.00 0.00 C ATOM 1540 O LEU A 98 -4.786 4.900 0.817 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.712 3.633 0.502 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.440 2.932 0.989 1.00 0.00 C ATOM 1543 CD1 LEU A 98 -0.762 1.597 1.648 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.524 2.735 -0.171 1.00 0.00 C ATOM 0 H LEU A 98 -3.810 2.264 0.054 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.548 3.380 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.996 3.206 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.482 4.684 0.328 1.00 0.00 H new ATOM 0 HG LEU A 98 0.032 3.567 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.161 1.124 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.416 1.762 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.262 0.948 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.425 2.236 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.050 2.123 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.789 3.705 -0.593 1.00 0.00 H new ATOM 1556 N GLN A 99 -3.176 5.895 2.017 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.859 7.185 2.035 1.00 0.00 C ATOM 1558 C GLN A 99 -3.238 8.152 1.031 1.00 0.00 C ATOM 1559 O GLN A 99 -2.018 8.200 0.872 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.820 7.788 3.439 1.00 0.00 C ATOM 1561 CG GLN A 99 -5.133 7.661 4.194 1.00 0.00 C ATOM 1562 CD GLN A 99 -6.010 8.890 4.051 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -6.219 9.632 5.010 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.527 9.110 2.848 1.00 0.00 N ATOM 0 H GLN A 99 -2.283 5.879 2.509 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.897 7.018 1.749 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.032 7.300 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.554 8.842 3.365 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.675 6.788 3.829 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.925 7.488 5.250 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.327 8.468 2.081 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.125 9.921 2.690 1.00 0.00 H new ATOM 1573 N GLY A 100 -4.090 8.921 0.357 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.611 9.878 -0.624 1.00 0.00 C ATOM 1575 C GLY A 100 -3.240 9.221 -1.939 1.00 0.00 C ATOM 1576 O GLY A 100 -3.523 8.043 -2.150 1.00 0.00 O ATOM 0 H GLY A 100 -5.103 8.898 0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.381 10.629 -0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.742 10.400 -0.224 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.600 9.981 -2.822 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.189 9.454 -4.118 1.00 0.00 C ATOM 1582 C ASP A 101 -0.788 8.864 -4.036 1.00 0.00 C ATOM 1583 O ASP A 101 0.204 9.542 -4.305 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.241 10.547 -5.187 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.378 11.742 -4.836 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.829 12.585 -4.032 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.251 11.838 -5.366 1.00 0.00 O ATOM 0 H ASP A 101 -2.356 10.959 -2.665 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.884 8.662 -4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.913 10.134 -6.141 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.273 10.874 -5.318 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.720 7.593 -3.660 1.00 0.00 N ATOM 1593 CA GLN A 102 0.548 6.893 -3.532 1.00 0.00 C ATOM 1594 C GLN A 102 0.762 5.926 -4.692 1.00 0.00 C ATOM 1595 O GLN A 102 1.744 5.187 -4.718 1.00 0.00 O ATOM 1596 CB GLN A 102 0.590 6.125 -2.208 1.00 0.00 C ATOM 1597 CG GLN A 102 1.074 6.947 -1.018 1.00 0.00 C ATOM 1598 CD GLN A 102 0.703 8.416 -1.110 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.589 8.693 -1.231 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.568 9.290 -1.071 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.536 7.024 -3.437 1.00 0.00 H new ATOM 0 HA GLN A 102 1.347 7.635 -3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.408 5.746 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.241 5.259 -2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.654 6.530 -0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.158 6.858 -0.941 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.550 9.032 -0.977 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.303 10.273 -1.133 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.162 5.928 -5.653 1.00 0.00 N ATOM 1610 CA ARG A 103 -0.062 5.041 -6.808 1.00 0.00 C ATOM 1611 C ARG A 103 1.335 5.093 -7.422 1.00 0.00 C ATOM 1612 O ARG A 103 1.797 4.123 -8.021 1.00 0.00 O ATOM 1613 CB ARG A 103 -1.110 5.417 -7.859 1.00 0.00 C ATOM 1614 CG ARG A 103 -1.101 6.893 -8.226 1.00 0.00 C ATOM 1615 CD ARG A 103 -0.537 7.122 -9.620 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.545 7.648 -10.539 1.00 0.00 N ATOM 1617 CZ ARG A 103 -1.256 8.266 -11.681 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.008 8.436 -12.051 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -2.233 8.715 -12.459 1.00 0.00 N ATOM 0 H ARG A 103 -0.984 6.532 -5.653 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.248 4.023 -6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.938 4.826 -8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.099 5.150 -7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -2.116 7.287 -8.175 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.507 7.446 -7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.300 7.818 -9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -0.145 6.183 -10.011 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.528 7.534 -10.290 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.764 8.092 -11.458 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.223 8.911 -12.928 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.206 8.586 -12.181 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.011 9.189 -13.335 1.00 0.00 H new ATOM 1633 N LYS A 104 2.002 6.231 -7.263 1.00 0.00 N ATOM 1634 CA LYS A 104 3.347 6.411 -7.795 1.00 0.00 C ATOM 1635 C LYS A 104 4.401 6.036 -6.755 1.00 0.00 C ATOM 1636 O LYS A 104 5.515 5.647 -7.101 1.00 0.00 O ATOM 1637 CB LYS A 104 3.546 7.859 -8.246 1.00 0.00 C ATOM 1638 CG LYS A 104 4.244 7.987 -9.588 1.00 0.00 C ATOM 1639 CD LYS A 104 4.788 9.391 -9.799 1.00 0.00 C ATOM 1640 CE LYS A 104 3.775 10.281 -10.501 1.00 0.00 C ATOM 1641 NZ LYS A 104 3.349 9.718 -11.813 1.00 0.00 N ATOM 0 H LYS A 104 1.632 7.043 -6.769 1.00 0.00 H new ATOM 0 HA LYS A 104 3.464 5.750 -8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.574 8.350 -8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.127 8.389 -7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.060 7.267 -9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.545 7.742 -10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.053 9.828 -8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.703 9.343 -10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.902 10.410 -9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.207 11.270 -10.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.119 10.494 -12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.121 9.147 -12.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.509 9.119 -11.678 1.00 0.00 H new ATOM 1655 N ASN A 105 4.042 6.161 -5.479 1.00 0.00 N ATOM 1656 CA ASN A 105 4.961 5.837 -4.391 1.00 0.00 C ATOM 1657 C ASN A 105 4.898 4.354 -4.042 1.00 0.00 C ATOM 1658 O ASN A 105 5.896 3.762 -3.632 1.00 0.00 O ATOM 1659 CB ASN A 105 4.634 6.676 -3.154 1.00 0.00 C ATOM 1660 CG ASN A 105 5.070 8.120 -3.301 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.260 8.431 -3.243 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.106 9.012 -3.494 1.00 0.00 N ATOM 0 H ASN A 105 3.124 6.483 -5.174 1.00 0.00 H new ATOM 0 HA ASN A 105 5.972 6.068 -4.725 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.560 6.641 -2.968 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.122 6.239 -2.283 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.339 9.999 -3.601 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.133 8.710 -3.535 1.00 0.00 H new ATOM 1669 N ILE A 106 3.720 3.757 -4.201 1.00 0.00 N ATOM 1670 CA ILE A 106 3.537 2.346 -3.898 1.00 0.00 C ATOM 1671 C ILE A 106 4.355 1.472 -4.844 1.00 0.00 C ATOM 1672 O ILE A 106 5.113 0.610 -4.399 1.00 0.00 O ATOM 1673 CB ILE A 106 2.052 1.941 -3.954 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.876 0.506 -3.458 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.500 2.099 -5.363 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.369 0.296 -2.041 1.00 0.00 C ATOM 0 H ILE A 106 2.881 4.230 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 106 3.893 2.188 -2.880 1.00 0.00 H new ATOM 0 HB ILE A 106 1.488 2.605 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.821 0.237 -3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.411 -0.170 -4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.450 1.807 -5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.592 3.139 -5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.062 1.464 -6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.214 -0.744 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.431 0.533 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.817 0.947 -1.363 1.00 0.00 H new ATOM 1688 N CYS A 107 4.231 1.716 -6.148 1.00 0.00 N ATOM 1689 CA CYS A 107 5.001 0.959 -7.132 1.00 0.00 C ATOM 1690 C CYS A 107 6.483 1.110 -6.819 1.00 0.00 C ATOM 1691 O CYS A 107 7.269 0.171 -6.955 1.00 0.00 O ATOM 1692 CB CYS A 107 4.706 1.465 -8.546 1.00 0.00 C ATOM 1693 SG CYS A 107 4.791 3.262 -8.722 1.00 0.00 S ATOM 0 H CYS A 107 3.612 2.424 -6.544 1.00 0.00 H new ATOM 0 HA CYS A 107 4.719 -0.093 -7.082 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.414 1.009 -9.238 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.712 1.129 -8.840 1.00 0.00 H new ATOM 0 HG CYS A 107 3.637 3.782 -8.425 1.00 0.00 H new ATOM 1699 N GLN A 108 6.836 2.306 -6.365 1.00 0.00 N ATOM 1700 CA GLN A 108 8.204 2.623 -5.984 1.00 0.00 C ATOM 1701 C GLN A 108 8.537 1.929 -4.665 1.00 0.00 C ATOM 1702 O GLN A 108 9.679 1.537 -4.425 1.00 0.00 O ATOM 1703 CB GLN A 108 8.359 4.150 -5.877 1.00 0.00 C ATOM 1704 CG GLN A 108 9.416 4.631 -4.891 1.00 0.00 C ATOM 1705 CD GLN A 108 10.716 5.012 -5.570 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.614 4.044 -5.714 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 10.912 6.163 -5.962 1.00 0.00 N flip ATOM 0 H GLN A 108 6.183 3.081 -6.251 1.00 0.00 H new ATOM 0 HA GLN A 108 8.903 2.263 -6.739 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.601 4.544 -6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.398 4.577 -5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.031 5.491 -4.342 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.609 3.846 -4.159 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.194 6.876 -5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.792 6.404 -6.418 1.00 0.00 H new ATOM 1716 N PHE A 109 7.520 1.773 -3.822 1.00 0.00 N ATOM 1717 CA PHE A 109 7.677 1.117 -2.532 1.00 0.00 C ATOM 1718 C PHE A 109 7.834 -0.387 -2.718 1.00 0.00 C ATOM 1719 O PHE A 109 8.686 -1.018 -2.094 1.00 0.00 O ATOM 1720 CB PHE A 109 6.459 1.408 -1.650 1.00 0.00 C ATOM 1721 CG PHE A 109 6.474 0.685 -0.333 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.410 1.005 0.637 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.549 -0.311 -0.066 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.422 0.343 1.850 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.556 -0.975 1.144 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.494 -0.648 2.104 1.00 0.00 C ATOM 0 H PHE A 109 6.572 2.096 -4.014 1.00 0.00 H new ATOM 0 HA PHE A 109 8.573 1.505 -2.048 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.406 2.481 -1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.555 1.133 -2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.137 1.779 0.443 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.814 -0.571 -0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.156 0.600 2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.829 -1.749 1.340 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.502 -1.166 3.051 1.00 0.00 H new ATOM 1736 N LEU A 110 7.000 -0.950 -3.586 1.00 0.00 N ATOM 1737 CA LEU A 110 7.035 -2.378 -3.869 1.00 0.00 C ATOM 1738 C LEU A 110 8.403 -2.791 -4.397 1.00 0.00 C ATOM 1739 O LEU A 110 8.841 -3.923 -4.199 1.00 0.00 O ATOM 1740 CB LEU A 110 5.948 -2.737 -4.888 1.00 0.00 C ATOM 1741 CG LEU A 110 4.593 -3.137 -4.293 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.232 -2.243 -3.116 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.509 -3.076 -5.359 1.00 0.00 C ATOM 0 H LEU A 110 6.290 -0.436 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 110 6.848 -2.918 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.797 -1.883 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.311 -3.558 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 110 4.669 -4.162 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.267 -2.547 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.995 -2.334 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.176 -1.207 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.552 -3.363 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.440 -2.061 -5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.757 -3.761 -6.170 1.00 0.00 H new ATOM 1755 N VAL A 111 9.075 -1.864 -5.071 1.00 0.00 N ATOM 1756 CA VAL A 111 10.395 -2.131 -5.624 1.00 0.00 C ATOM 1757 C VAL A 111 11.494 -1.730 -4.644 1.00 0.00 C ATOM 1758 O VAL A 111 12.578 -2.316 -4.639 1.00 0.00 O ATOM 1759 CB VAL A 111 10.602 -1.384 -6.955 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.953 -1.732 -7.565 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.475 -1.701 -7.926 1.00 0.00 C ATOM 0 H VAL A 111 8.726 -0.922 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 111 10.455 -3.204 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 111 10.588 -0.313 -6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.078 -1.193 -8.504 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.748 -1.448 -6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.002 -2.805 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.638 -1.164 -8.861 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.454 -2.773 -8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.524 -1.393 -7.492 1.00 0.00 H new ATOM 1771 N GLU A 112 11.209 -0.730 -3.817 1.00 0.00 N ATOM 1772 CA GLU A 112 12.174 -0.253 -2.832 1.00 0.00 C ATOM 1773 C GLU A 112 12.368 -1.278 -1.719 1.00 0.00 C ATOM 1774 O GLU A 112 13.488 -1.519 -1.269 1.00 0.00 O ATOM 1775 CB GLU A 112 11.711 1.077 -2.236 1.00 0.00 C ATOM 1776 CG GLU A 112 11.985 2.274 -3.131 1.00 0.00 C ATOM 1777 CD GLU A 112 13.094 3.161 -2.598 1.00 0.00 C ATOM 1778 OE1 GLU A 112 14.155 2.623 -2.220 1.00 0.00 O ATOM 1779 OE2 GLU A 112 12.899 4.394 -2.559 1.00 0.00 O ATOM 0 H GLU A 112 10.318 -0.234 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 112 13.128 -0.106 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.641 1.022 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.208 1.229 -1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.253 1.924 -4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.073 2.862 -3.234 1.00 0.00 H new ATOM 1786 N ILE A 113 11.266 -1.877 -1.279 1.00 0.00 N ATOM 1787 CA ILE A 113 11.307 -2.874 -0.217 1.00 0.00 C ATOM 1788 C ILE A 113 11.497 -4.279 -0.786 1.00 0.00 C ATOM 1789 O ILE A 113 12.000 -5.173 -0.104 1.00 0.00 O ATOM 1790 CB ILE A 113 10.017 -2.840 0.631 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.847 -3.468 -0.137 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.689 -1.409 1.030 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.520 -3.377 0.588 1.00 0.00 C ATOM 0 H ILE A 113 10.332 -1.688 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 113 12.158 -2.628 0.418 1.00 0.00 H new ATOM 0 HB ILE A 113 10.181 -3.425 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.755 -2.977 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.073 -4.516 -0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.777 -1.398 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.511 -0.997 1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.543 -0.806 0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.742 -3.842 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.592 -3.893 1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.270 -2.330 0.758 1.00 0.00 H new ATOM 1805 N GLY A 114 11.079 -4.467 -2.032 1.00 0.00 N ATOM 1806 CA GLY A 114 11.196 -5.765 -2.666 1.00 0.00 C ATOM 1807 C GLY A 114 9.909 -6.558 -2.566 1.00 0.00 C ATOM 1808 O GLY A 114 9.925 -7.788 -2.542 1.00 0.00 O ATOM 0 H GLY A 114 10.661 -3.742 -2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.462 -5.635 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.006 -6.326 -2.199 1.00 0.00 H new ATOM 1812 N LEU A 115 8.790 -5.843 -2.505 1.00 0.00 N ATOM 1813 CA LEU A 115 7.479 -6.470 -2.403 1.00 0.00 C ATOM 1814 C LEU A 115 7.038 -7.026 -3.753 1.00 0.00 C ATOM 1815 O LEU A 115 7.019 -8.240 -3.959 1.00 0.00 O ATOM 1816 CB LEU A 115 6.452 -5.457 -1.887 1.00 0.00 C ATOM 1817 CG LEU A 115 5.497 -5.979 -0.810 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.261 -6.711 0.285 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.684 -4.837 -0.219 1.00 0.00 C ATOM 0 H LEU A 115 8.767 -4.823 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 115 7.547 -7.299 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.986 -4.595 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.861 -5.102 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 115 4.813 -6.686 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.561 -7.072 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.796 -7.556 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.974 -6.029 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.011 -5.227 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.356 -4.106 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.101 -4.359 -1.007 1.00 0.00 H new ATOM 1831 N ALA A 116 6.691 -6.132 -4.673 1.00 0.00 N ATOM 1832 CA ALA A 116 6.261 -6.537 -6.004 1.00 0.00 C ATOM 1833 C ALA A 116 7.449 -6.597 -6.958 1.00 0.00 C ATOM 1834 O ALA A 116 8.586 -6.344 -6.561 1.00 0.00 O ATOM 1835 CB ALA A 116 5.204 -5.580 -6.534 1.00 0.00 C ATOM 0 H ALA A 116 6.700 -5.124 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 116 5.825 -7.534 -5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.893 -5.896 -7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.342 -5.584 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.618 -4.573 -6.586 1.00 0.00 H new ATOM 1841 N LYS A 117 7.182 -6.923 -8.217 1.00 0.00 N ATOM 1842 CA LYS A 117 8.234 -7.005 -9.224 1.00 0.00 C ATOM 1843 C LYS A 117 8.062 -5.912 -10.272 1.00 0.00 C ATOM 1844 O LYS A 117 6.952 -5.437 -10.509 1.00 0.00 O ATOM 1845 CB LYS A 117 8.229 -8.379 -9.894 1.00 0.00 C ATOM 1846 CG LYS A 117 9.562 -9.102 -9.800 1.00 0.00 C ATOM 1847 CD LYS A 117 10.018 -9.249 -8.357 1.00 0.00 C ATOM 1848 CE LYS A 117 11.161 -8.300 -8.033 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.119 -8.895 -7.061 1.00 0.00 N ATOM 0 H LYS A 117 6.247 -7.135 -8.565 1.00 0.00 H new ATOM 0 HA LYS A 117 9.193 -6.861 -8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.457 -8.996 -9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.961 -8.262 -10.944 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.475 -10.088 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.315 -8.554 -10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.180 -9.053 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.335 -10.276 -8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.689 -8.041 -8.951 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.758 -7.373 -7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.883 -8.216 -6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 11.621 -9.119 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.523 -9.766 -7.461 1.00 0.00 H new ATOM 1863 N ASP A 118 9.166 -5.520 -10.901 1.00 0.00 N ATOM 1864 CA ASP A 118 9.124 -4.484 -11.925 1.00 0.00 C ATOM 1865 C ASP A 118 8.209 -4.904 -13.070 1.00 0.00 C ATOM 1866 O ASP A 118 7.599 -4.065 -13.732 1.00 0.00 O ATOM 1867 CB ASP A 118 10.530 -4.186 -12.450 1.00 0.00 C ATOM 1868 CG ASP A 118 11.096 -5.317 -13.288 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.433 -6.373 -12.712 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.202 -5.148 -14.521 1.00 0.00 O ATOM 0 H ASP A 118 10.094 -5.902 -10.721 1.00 0.00 H new ATOM 0 HA ASP A 118 8.725 -3.575 -11.475 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.504 -3.275 -13.048 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.195 -3.996 -11.607 1.00 0.00 H new ATOM 1875 N ASP A 119 8.109 -6.212 -13.285 1.00 0.00 N ATOM 1876 CA ASP A 119 7.257 -6.750 -14.336 1.00 0.00 C ATOM 1877 C ASP A 119 5.806 -6.795 -13.869 1.00 0.00 C ATOM 1878 O ASP A 119 4.879 -6.783 -14.679 1.00 0.00 O ATOM 1879 CB ASP A 119 7.723 -8.150 -14.737 1.00 0.00 C ATOM 1880 CG ASP A 119 8.704 -8.123 -15.893 1.00 0.00 C ATOM 1881 OD1 ASP A 119 9.886 -7.790 -15.662 1.00 0.00 O ATOM 1882 OD2 ASP A 119 8.291 -8.433 -17.030 1.00 0.00 O ATOM 0 H ASP A 119 8.608 -6.918 -12.744 1.00 0.00 H new ATOM 0 HA ASP A 119 7.327 -6.096 -15.206 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.190 -8.634 -13.879 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.858 -8.753 -15.012 1.00 0.00 H new ATOM 1887 N GLN A 120 5.619 -6.837 -12.552 1.00 0.00 N ATOM 1888 CA GLN A 120 4.286 -6.871 -11.965 1.00 0.00 C ATOM 1889 C GLN A 120 3.783 -5.459 -11.675 1.00 0.00 C ATOM 1890 O GLN A 120 2.651 -5.274 -11.232 1.00 0.00 O ATOM 1891 CB GLN A 120 4.298 -7.686 -10.672 1.00 0.00 C ATOM 1892 CG GLN A 120 4.932 -9.060 -10.817 1.00 0.00 C ATOM 1893 CD GLN A 120 4.582 -9.986 -9.668 1.00 0.00 C ATOM 1894 OE1 GLN A 120 4.491 -9.431 -8.465 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 4.396 -11.188 -9.860 1.00 0.00 N flip ATOM 0 H GLN A 120 6.378 -6.848 -11.871 1.00 0.00 H new ATOM 0 HA GLN A 120 3.614 -7.341 -12.682 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.836 -7.127 -9.907 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.274 -7.805 -10.319 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.605 -9.510 -11.754 1.00 0.00 H new ATOM 0 HG3 GLN A 120 6.015 -8.952 -10.876 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.476 -11.572 -10.801 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.162 -11.799 -9.078 1.00 0.00 H new ATOM 1904 N LEU A 121 4.634 -4.466 -11.923 1.00 0.00 N ATOM 1905 CA LEU A 121 4.280 -3.071 -11.683 1.00 0.00 C ATOM 1906 C LEU A 121 3.029 -2.682 -12.463 1.00 0.00 C ATOM 1907 O LEU A 121 3.112 -2.164 -13.576 1.00 0.00 O ATOM 1908 CB LEU A 121 5.442 -2.154 -12.070 1.00 0.00 C ATOM 1909 CG LEU A 121 6.554 -2.043 -11.024 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.772 -1.341 -11.611 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.052 -1.304 -9.788 1.00 0.00 C ATOM 0 H LEU A 121 5.575 -4.603 -12.291 1.00 0.00 H new ATOM 0 HA LEU A 121 4.072 -2.955 -10.619 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.876 -2.516 -13.002 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.048 -1.157 -12.267 1.00 0.00 H new ATOM 0 HG LEU A 121 6.849 -3.049 -10.726 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.552 -1.271 -10.853 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.144 -1.910 -12.463 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.492 -0.339 -11.937 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.855 -1.234 -9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.729 -0.302 -10.069 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.212 -1.847 -9.355 1.00 0.00 H new ATOM 1923 N LYS A 122 1.870 -2.935 -11.865 1.00 0.00 N ATOM 1924 CA LYS A 122 0.598 -2.613 -12.494 1.00 0.00 C ATOM 1925 C LYS A 122 -0.067 -1.442 -11.778 1.00 0.00 C ATOM 1926 O LYS A 122 -0.955 -1.632 -10.947 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.323 -3.834 -12.474 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.243 -4.674 -13.738 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.881 -3.964 -14.922 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.151 -4.279 -16.218 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.731 -3.542 -17.375 1.00 0.00 N ATOM 0 H LYS A 122 1.787 -3.363 -10.943 1.00 0.00 H new ATOM 0 HA LYS A 122 0.784 -2.328 -13.530 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.069 -4.457 -11.616 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.351 -3.501 -12.333 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.800 -4.894 -13.964 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.742 -5.629 -13.573 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.925 -4.265 -15.009 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.872 -2.888 -14.750 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.903 -4.020 -16.114 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.198 -5.351 -16.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.206 -3.784 -18.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.730 -3.808 -17.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.663 -2.518 -17.204 1.00 0.00 H new ATOM 1945 N VAL A 123 0.379 -0.229 -12.093 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.165 0.969 -11.465 1.00 0.00 C ATOM 1947 C VAL A 123 -1.309 1.568 -12.279 1.00 0.00 C ATOM 1948 O VAL A 123 -1.157 1.855 -13.467 1.00 0.00 O ATOM 1949 CB VAL A 123 0.925 2.041 -11.264 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.438 2.549 -12.605 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.396 3.189 -10.418 1.00 0.00 C ATOM 0 H VAL A 123 1.114 -0.051 -12.778 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.550 0.659 -10.494 1.00 0.00 H new ATOM 0 HB VAL A 123 1.761 1.583 -10.735 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.206 3.304 -12.438 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.862 1.719 -13.170 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.614 2.988 -13.167 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.179 3.936 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.460 3.644 -10.917 1.00 0.00 H new ATOM 0 HG23 VAL A 123 0.089 2.811 -9.443 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.452 1.762 -11.627 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.622 2.337 -12.280 1.00 0.00 C ATOM 1963 C HIS A 124 -4.280 3.376 -11.380 1.00 0.00 C ATOM 1964 O HIS A 124 -5.504 3.423 -11.257 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.631 1.243 -12.634 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.010 0.036 -13.262 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.118 -0.255 -14.604 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.268 -0.959 -12.721 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.472 -1.376 -14.863 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -2.947 -1.824 -13.737 1.00 0.00 N ATOM 0 H HIS A 124 -2.592 1.528 -10.644 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.293 2.824 -13.198 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.159 0.941 -11.729 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.376 1.654 -13.315 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.619 0.308 -15.291 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.982 -1.054 -11.684 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.387 -1.847 -15.831 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.456 4.204 -10.746 1.00 0.00 N ATOM 1980 CA GLY A 125 -3.971 5.226 -9.856 1.00 0.00 C ATOM 1981 C GLY A 125 -4.929 6.178 -10.546 1.00 0.00 C ATOM 1982 O GLY A 125 -4.519 7.227 -11.045 1.00 0.00 O ATOM 0 H GLY A 125 -2.440 4.185 -10.833 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.480 4.749 -9.019 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.138 5.793 -9.441 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.209 5.818 -10.569 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.226 6.653 -11.195 1.00 0.00 C ATOM 1988 C PHE A 126 -6.973 6.792 -12.694 1.00 0.00 C ATOM 1989 O PHE A 126 -6.200 5.978 -13.241 1.00 0.00 O ATOM 1990 CB PHE A 126 -7.247 8.032 -10.535 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.591 8.438 -10.004 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -9.752 8.121 -10.690 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -8.688 9.142 -8.815 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -10.986 8.499 -10.201 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.921 9.523 -8.320 1.00 0.00 C ATOM 1996 CZ PHE A 126 -11.071 9.200 -9.014 1.00 0.00 C ATOM 1997 OXT PHE A 126 -7.552 7.714 -13.308 1.00 0.00 O ATOM 0 H PHE A 126 -6.565 4.954 -10.161 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.195 6.174 -11.057 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -6.527 8.042 -9.717 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -6.916 8.775 -11.260 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -9.691 7.572 -11.618 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -7.791 9.396 -8.269 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -11.884 8.247 -10.746 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.985 10.072 -7.392 1.00 0.00 H new ATOM 0 HZ PHE A 126 -12.036 9.495 -8.629 1.00 0.00 H new TER 2007 PHE A 126