USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 936 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 60 ASN : amide:sc= -7.37! C(o=-35!,f=-46!) USER MOD Set 1.2: A 62 HIS :FLIP no HE2:sc= -14.4! C(o=-40!,f=-35!) USER MOD Set 1.3: A 95 HIS :FLIP no HD1:sc= -14.7! C(o=-35!,f=-35!) USER MOD Set 1.4: A 109 TYR OH : rot -152:sc= 1.16 USER MOD Set 2.1: A 53 THR OG1 : rot -55:sc= 1.23 USER MOD Set 2.2: A 55 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 44 CYS SG : rot 21:sc= -3.21! USER MOD Set 3.2: A 69 SER OG : rot -140:sc= -2.32! USER MOD Single : A 1 VAL N :NH3+ 132:sc= 0.0177 (180deg=-0.383) USER MOD Single : A 4 SER OG : rot 180:sc=-0.00993 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -2.52! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 63:sc= 0.102 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -2.18 F(o=-4.4!,f=-2.2) USER MOD Single : A 25 ASN : amide:sc= -12.1! C(o=-12!,f=-19!) USER MOD Single : A 26 MET CE :methyl -115:sc= -8.97! (180deg=-13.6!) USER MOD Single : A 28 MET CE :methyl -153:sc= -18.8! (180deg=-26!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -11:sc= 0.77 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -5.94! C(o=-5.9!,f=-17!) USER MOD Single : A 40 TYR OH : rot 110:sc= -0.293 USER MOD Single : A 45 TYR OH : rot 180:sc= 0.124 USER MOD Single : A 49 SER OG : rot 180:sc= -3.26! USER MOD Single : A 50 THR OG1 : rot -101:sc= 1.02 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.521 USER MOD Single : A 63 TYR OH : rot -177:sc= -3.59! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN :FLIP amide:sc= -6.99! C(o=-8.6!,f=-7!) USER MOD Single : A 70 SER OG : rot -108:sc= -2.91! USER MOD Single : A 71 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.022) USER MOD Single : A 74 GLN : amide:sc= -2.28! C(o=-2.3!,f=-5.9!) USER MOD Single : A 80 TYR OH : rot 180:sc= -1.95! USER MOD Single : A 81 THR OG1 : rot -151:sc= -4.62! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 MET CE :methyl -163:sc= -2.36 (180deg=-3.7!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -44:sc= 0.134 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.21 F(o=-0.84,f=-0.21) USER MOD Single : A 99 GLN : amide:sc=-0.00141 X(o=-0.0014,f=-0.29) USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.366 F(o=-1.3,f=-0.37) USER MOD Single : A 103 SER OG : rot 180:sc= 0.0083 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 174:sc= -0.0584 (180deg=-0.153) USER MOD Single : A 118 GLN : amide:sc= -0.451 K(o=-0.45,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 11.239 -17.042 -28.987 1.00 0.00 N ATOM 2 CA VAL A 1 12.428 -17.251 -28.114 1.00 0.00 C ATOM 3 C VAL A 1 13.346 -16.029 -28.201 1.00 0.00 C ATOM 4 O VAL A 1 13.478 -15.414 -29.239 1.00 0.00 O ATOM 5 CB VAL A 1 13.190 -18.493 -28.580 1.00 0.00 C ATOM 6 CG1 VAL A 1 13.797 -18.233 -29.959 1.00 0.00 C ATOM 7 CG2 VAL A 1 14.309 -18.807 -27.585 1.00 0.00 C ATOM 0 H1 VAL A 1 11.085 -17.888 -29.572 1.00 0.00 H new ATOM 0 H2 VAL A 1 10.400 -16.872 -28.396 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.401 -16.220 -29.603 1.00 0.00 H new ATOM 0 HA VAL A 1 12.102 -17.389 -27.083 1.00 0.00 H new ATOM 0 HB VAL A 1 12.504 -19.338 -28.638 1.00 0.00 H new ATOM 0 HG11 VAL A 1 14.340 -19.118 -30.290 1.00 0.00 H new ATOM 0 HG12 VAL A 1 13.002 -18.008 -30.670 1.00 0.00 H new ATOM 0 HG13 VAL A 1 14.483 -17.388 -29.901 1.00 0.00 H new ATOM 0 HG21 VAL A 1 14.853 -19.692 -27.916 1.00 0.00 H new ATOM 0 HG22 VAL A 1 14.994 -17.961 -27.528 1.00 0.00 H new ATOM 0 HG23 VAL A 1 13.879 -18.992 -26.601 1.00 0.00 H new ATOM 19 N GLU A 2 13.980 -15.675 -27.117 1.00 0.00 N ATOM 20 CA GLU A 2 14.891 -14.496 -27.138 1.00 0.00 C ATOM 21 C GLU A 2 14.080 -13.228 -27.414 1.00 0.00 C ATOM 22 O GLU A 2 14.231 -12.593 -28.439 1.00 0.00 O ATOM 23 CB GLU A 2 15.940 -14.681 -28.237 1.00 0.00 C ATOM 24 CG GLU A 2 16.671 -16.008 -28.023 1.00 0.00 C ATOM 25 CD GLU A 2 18.174 -15.750 -27.906 1.00 0.00 C ATOM 26 OE1 GLU A 2 18.716 -15.109 -28.792 1.00 0.00 O ATOM 27 OE2 GLU A 2 18.758 -16.198 -26.934 1.00 0.00 O ATOM 0 H GLU A 2 13.907 -16.151 -26.218 1.00 0.00 H new ATOM 0 HA GLU A 2 15.389 -14.405 -26.173 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.462 -14.670 -29.217 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.651 -13.855 -28.220 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.304 -16.496 -27.120 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.471 -16.684 -28.855 1.00 0.00 H new ATOM 34 N LEU A 3 13.221 -12.853 -26.506 1.00 0.00 N ATOM 35 CA LEU A 3 12.403 -11.624 -26.718 1.00 0.00 C ATOM 36 C LEU A 3 13.298 -10.500 -27.244 1.00 0.00 C ATOM 37 O LEU A 3 12.918 -9.753 -28.124 1.00 0.00 O ATOM 38 CB LEU A 3 11.760 -11.187 -25.397 1.00 0.00 C ATOM 39 CG LEU A 3 12.633 -11.626 -24.220 1.00 0.00 C ATOM 40 CD1 LEU A 3 12.753 -10.478 -23.216 1.00 0.00 C ATOM 41 CD2 LEU A 3 11.986 -12.832 -23.537 1.00 0.00 C ATOM 0 H LEU A 3 13.050 -13.343 -25.628 1.00 0.00 H new ATOM 0 HA LEU A 3 11.618 -11.839 -27.444 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.636 -10.104 -25.384 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.765 -11.623 -25.305 1.00 0.00 H new ATOM 0 HG LEU A 3 13.625 -11.896 -24.581 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.375 -10.791 -22.378 1.00 0.00 H new ATOM 0 HD12 LEU A 3 13.208 -9.615 -23.703 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.762 -10.208 -22.851 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.604 -13.149 -22.697 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.995 -12.557 -23.175 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.897 -13.650 -24.252 1.00 0.00 H new ATOM 53 N SER A 4 14.482 -10.374 -26.710 1.00 0.00 N ATOM 54 CA SER A 4 15.402 -9.296 -27.178 1.00 0.00 C ATOM 55 C SER A 4 15.351 -9.204 -28.704 1.00 0.00 C ATOM 56 O SER A 4 15.108 -10.180 -29.385 1.00 0.00 O ATOM 57 CB SER A 4 16.830 -9.616 -26.735 1.00 0.00 C ATOM 58 OG SER A 4 17.747 -8.920 -27.567 1.00 0.00 O ATOM 0 H SER A 4 14.853 -10.970 -25.970 1.00 0.00 H new ATOM 0 HA SER A 4 15.092 -8.344 -26.747 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.974 -9.326 -25.694 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.010 -10.689 -26.795 1.00 0.00 H new ATOM 0 HG SER A 4 18.663 -9.122 -27.284 1.00 0.00 H new ATOM 64 N LYS A 5 15.580 -8.034 -29.241 1.00 0.00 N ATOM 65 CA LYS A 5 15.548 -7.862 -30.723 1.00 0.00 C ATOM 66 C LYS A 5 14.099 -7.732 -31.198 1.00 0.00 C ATOM 67 O LYS A 5 13.657 -6.669 -31.585 1.00 0.00 O ATOM 68 CB LYS A 5 16.203 -9.069 -31.400 1.00 0.00 C ATOM 69 CG LYS A 5 16.627 -8.691 -32.820 1.00 0.00 C ATOM 70 CD LYS A 5 17.517 -9.793 -33.400 1.00 0.00 C ATOM 71 CE LYS A 5 16.732 -10.583 -34.449 1.00 0.00 C ATOM 72 NZ LYS A 5 17.665 -11.460 -35.211 1.00 0.00 N ATOM 0 H LYS A 5 15.789 -7.186 -28.714 1.00 0.00 H new ATOM 0 HA LYS A 5 16.097 -6.959 -30.988 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.070 -9.395 -30.825 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.506 -9.906 -31.428 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.747 -8.552 -33.448 1.00 0.00 H new ATOM 0 HG3 LYS A 5 17.165 -7.743 -32.810 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.408 -9.356 -33.850 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.855 -10.458 -32.605 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.963 -11.185 -33.966 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.222 -9.900 -35.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.132 -11.997 -35.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.383 -10.875 -35.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.132 -12.121 -34.558 1.00 0.00 H new ATOM 86 N LYS A 6 13.355 -8.805 -31.180 1.00 0.00 N ATOM 87 CA LYS A 6 11.938 -8.737 -31.639 1.00 0.00 C ATOM 88 C LYS A 6 11.029 -8.359 -30.466 1.00 0.00 C ATOM 89 O LYS A 6 9.823 -8.496 -30.536 1.00 0.00 O ATOM 90 CB LYS A 6 11.514 -10.100 -32.191 1.00 0.00 C ATOM 91 CG LYS A 6 12.365 -10.444 -33.413 1.00 0.00 C ATOM 92 CD LYS A 6 12.247 -9.326 -34.451 1.00 0.00 C ATOM 93 CE LYS A 6 12.994 -9.730 -35.724 1.00 0.00 C ATOM 94 NZ LYS A 6 12.599 -8.824 -36.840 1.00 0.00 N ATOM 0 H LYS A 6 13.667 -9.725 -30.868 1.00 0.00 H new ATOM 0 HA LYS A 6 11.851 -7.982 -32.420 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.632 -10.867 -31.425 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.459 -10.081 -32.463 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.407 -10.573 -33.119 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.036 -11.390 -33.843 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.198 -9.135 -34.677 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.661 -8.400 -34.052 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.070 -9.675 -35.560 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.763 -10.764 -35.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.106 -9.098 -37.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.574 -8.898 -37.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.841 -7.843 -36.593 1.00 0.00 H new ATOM 108 N VAL A 7 11.591 -7.883 -29.389 1.00 0.00 N ATOM 109 CA VAL A 7 10.748 -7.499 -28.220 1.00 0.00 C ATOM 110 C VAL A 7 11.501 -6.486 -27.354 1.00 0.00 C ATOM 111 O VAL A 7 11.196 -5.309 -27.353 1.00 0.00 O ATOM 112 CB VAL A 7 10.427 -8.742 -27.389 1.00 0.00 C ATOM 113 CG1 VAL A 7 9.408 -8.384 -26.307 1.00 0.00 C ATOM 114 CG2 VAL A 7 9.843 -9.825 -28.299 1.00 0.00 C ATOM 0 H VAL A 7 12.594 -7.743 -29.267 1.00 0.00 H new ATOM 0 HA VAL A 7 9.820 -7.052 -28.576 1.00 0.00 H new ATOM 0 HB VAL A 7 11.339 -9.111 -26.921 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.179 -9.270 -25.715 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.822 -7.611 -25.659 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.495 -8.015 -26.775 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.614 -10.712 -27.708 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.931 -9.454 -28.766 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.568 -10.081 -29.071 1.00 0.00 H new ATOM 124 N THR A 8 12.480 -6.931 -26.616 1.00 0.00 N ATOM 125 CA THR A 8 13.246 -5.989 -25.751 1.00 0.00 C ATOM 126 C THR A 8 13.672 -4.773 -26.574 1.00 0.00 C ATOM 127 O THR A 8 13.927 -3.711 -26.042 1.00 0.00 O ATOM 128 CB THR A 8 14.488 -6.697 -25.203 1.00 0.00 C ATOM 129 OG1 THR A 8 14.165 -8.044 -24.890 1.00 0.00 O ATOM 130 CG2 THR A 8 14.967 -5.978 -23.940 1.00 0.00 C ATOM 0 H THR A 8 12.783 -7.904 -26.574 1.00 0.00 H new ATOM 0 HA THR A 8 12.618 -5.663 -24.922 1.00 0.00 H new ATOM 0 HB THR A 8 15.279 -6.679 -25.953 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.960 -8.498 -24.541 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.851 -6.481 -23.548 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.214 -4.944 -24.181 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.177 -5.996 -23.189 1.00 0.00 H new ATOM 138 N GLY A 9 13.752 -4.919 -27.868 1.00 0.00 N ATOM 139 CA GLY A 9 14.161 -3.770 -28.724 1.00 0.00 C ATOM 140 C GLY A 9 12.922 -2.972 -29.135 1.00 0.00 C ATOM 141 O GLY A 9 12.861 -2.413 -30.212 1.00 0.00 O ATOM 0 H GLY A 9 13.552 -5.784 -28.370 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.856 -3.129 -28.182 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.684 -4.131 -29.609 1.00 0.00 H new ATOM 145 N LYS A 10 11.934 -2.914 -28.285 1.00 0.00 N ATOM 146 CA LYS A 10 10.701 -2.151 -28.629 1.00 0.00 C ATOM 147 C LYS A 10 9.571 -2.553 -27.679 1.00 0.00 C ATOM 148 O LYS A 10 8.461 -2.823 -28.098 1.00 0.00 O ATOM 149 CB LYS A 10 10.292 -2.463 -30.071 1.00 0.00 C ATOM 150 CG LYS A 10 10.470 -1.212 -30.933 1.00 0.00 C ATOM 151 CD LYS A 10 9.101 -0.722 -31.411 1.00 0.00 C ATOM 152 CE LYS A 10 8.536 -1.708 -32.435 1.00 0.00 C ATOM 153 NZ LYS A 10 7.392 -1.078 -33.153 1.00 0.00 N ATOM 0 H LYS A 10 11.927 -3.361 -27.368 1.00 0.00 H new ATOM 0 HA LYS A 10 10.896 -1.083 -28.531 1.00 0.00 H new ATOM 0 HB2 LYS A 10 10.899 -3.278 -30.464 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.254 -2.795 -30.102 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.968 -0.430 -30.360 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.107 -1.435 -31.789 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.420 -0.630 -30.565 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.192 0.269 -31.856 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.311 -1.995 -33.145 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.208 -2.620 -31.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.008 -1.748 -33.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.650 -0.825 -32.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.719 -0.220 -33.642 1.00 0.00 H new ATOM 167 N LEU A 11 9.841 -2.590 -26.404 1.00 0.00 N ATOM 168 CA LEU A 11 8.782 -2.969 -25.428 1.00 0.00 C ATOM 169 C LEU A 11 7.728 -1.862 -25.374 1.00 0.00 C ATOM 170 O LEU A 11 7.463 -1.197 -26.356 1.00 0.00 O ATOM 171 CB LEU A 11 9.408 -3.148 -24.044 1.00 0.00 C ATOM 172 CG LEU A 11 10.625 -4.069 -24.148 1.00 0.00 C ATOM 173 CD1 LEU A 11 11.330 -4.138 -22.792 1.00 0.00 C ATOM 174 CD2 LEU A 11 10.168 -5.471 -24.555 1.00 0.00 C ATOM 0 H LEU A 11 10.750 -2.374 -25.995 1.00 0.00 H new ATOM 0 HA LEU A 11 8.314 -3.904 -25.737 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.705 -2.180 -23.640 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.677 -3.571 -23.355 1.00 0.00 H new ATOM 0 HG LEU A 11 11.314 -3.678 -24.897 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.197 -4.794 -22.866 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.654 -3.139 -22.499 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.641 -4.530 -22.043 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.034 -6.129 -24.630 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.480 -5.861 -23.805 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.664 -5.424 -25.520 1.00 0.00 H new ATOM 186 N ASP A 12 7.124 -1.656 -24.236 1.00 0.00 N ATOM 187 CA ASP A 12 6.090 -0.588 -24.124 1.00 0.00 C ATOM 188 C ASP A 12 6.774 0.756 -23.867 1.00 0.00 C ATOM 189 O ASP A 12 7.464 0.932 -22.882 1.00 0.00 O ATOM 190 CB ASP A 12 5.145 -0.912 -22.965 1.00 0.00 C ATOM 191 CG ASP A 12 4.036 -1.844 -23.455 1.00 0.00 C ATOM 192 OD1 ASP A 12 3.714 -1.783 -24.630 1.00 0.00 O ATOM 193 OD2 ASP A 12 3.528 -2.604 -22.647 1.00 0.00 O ATOM 0 H ASP A 12 7.301 -2.180 -23.379 1.00 0.00 H new ATOM 0 HA ASP A 12 5.520 -0.534 -25.051 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.698 -1.383 -22.152 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.713 0.006 -22.567 1.00 0.00 H new ATOM 198 N LYS A 13 6.592 1.704 -24.745 1.00 0.00 N ATOM 199 CA LYS A 13 7.238 3.033 -24.548 1.00 0.00 C ATOM 200 C LYS A 13 6.168 4.128 -24.536 1.00 0.00 C ATOM 201 O LYS A 13 6.430 5.259 -24.176 1.00 0.00 O ATOM 202 CB LYS A 13 8.222 3.296 -25.690 1.00 0.00 C ATOM 203 CG LYS A 13 9.133 2.081 -25.871 1.00 0.00 C ATOM 204 CD LYS A 13 10.352 2.217 -24.956 1.00 0.00 C ATOM 205 CE LYS A 13 11.608 2.424 -25.805 1.00 0.00 C ATOM 206 NZ LYS A 13 12.726 2.885 -24.933 1.00 0.00 N ATOM 0 H LYS A 13 6.025 1.616 -25.589 1.00 0.00 H new ATOM 0 HA LYS A 13 7.772 3.038 -23.598 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.678 3.497 -26.613 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.819 4.182 -25.473 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.589 1.167 -25.636 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.452 2.004 -26.910 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.217 3.058 -24.276 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.459 1.324 -24.341 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.881 1.494 -26.303 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.415 3.159 -26.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.580 3.026 -25.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.464 3.782 -24.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.915 2.169 -24.203 1.00 0.00 H new ATOM 220 N THR A 14 4.966 3.805 -24.924 1.00 0.00 N ATOM 221 CA THR A 14 3.887 4.834 -24.931 1.00 0.00 C ATOM 222 C THR A 14 2.522 4.144 -24.951 1.00 0.00 C ATOM 223 O THR A 14 1.809 4.184 -25.933 1.00 0.00 O ATOM 224 CB THR A 14 4.034 5.717 -26.172 1.00 0.00 C ATOM 225 OG1 THR A 14 4.218 4.896 -27.317 1.00 0.00 O ATOM 226 CG2 THR A 14 5.243 6.639 -26.001 1.00 0.00 C ATOM 0 H THR A 14 4.684 2.876 -25.236 1.00 0.00 H new ATOM 0 HA THR A 14 3.966 5.450 -24.036 1.00 0.00 H new ATOM 0 HB THR A 14 3.135 6.320 -26.300 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.425 4.336 -27.449 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.348 7.268 -26.885 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.099 7.268 -25.122 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.144 6.038 -25.874 1.00 0.00 H new ATOM 234 N THR A 15 2.154 3.514 -23.870 1.00 0.00 N ATOM 235 CA THR A 15 0.836 2.824 -23.820 1.00 0.00 C ATOM 236 C THR A 15 0.610 2.271 -22.407 1.00 0.00 C ATOM 237 O THR A 15 1.426 1.524 -21.904 1.00 0.00 O ATOM 238 CB THR A 15 0.829 1.668 -24.824 1.00 0.00 C ATOM 239 OG1 THR A 15 -0.405 0.970 -24.732 1.00 0.00 O ATOM 240 CG2 THR A 15 1.982 0.713 -24.512 1.00 0.00 C ATOM 0 H THR A 15 2.711 3.448 -23.018 1.00 0.00 H new ATOM 0 HA THR A 15 0.043 3.529 -24.071 1.00 0.00 H new ATOM 0 HB THR A 15 0.949 2.062 -25.833 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.411 0.231 -25.375 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.977 -0.110 -25.227 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.928 1.249 -24.583 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.864 0.318 -23.503 1.00 0.00 H new ATOM 248 N PRO A 16 -0.488 2.655 -21.803 1.00 0.00 N ATOM 249 CA PRO A 16 -0.835 2.207 -20.444 1.00 0.00 C ATOM 250 C PRO A 16 -1.385 0.777 -20.474 1.00 0.00 C ATOM 251 O PRO A 16 -2.501 0.539 -20.889 1.00 0.00 O ATOM 252 CB PRO A 16 -1.915 3.199 -20.003 1.00 0.00 C ATOM 253 CG PRO A 16 -2.523 3.784 -21.299 1.00 0.00 C ATOM 254 CD PRO A 16 -1.482 3.563 -22.412 1.00 0.00 C ATOM 0 HA PRO A 16 0.020 2.187 -19.768 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.679 2.702 -19.405 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.489 3.988 -19.383 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.463 3.289 -21.544 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.743 4.845 -21.179 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.935 3.120 -23.299 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.025 4.503 -22.723 1.00 0.00 H new ATOM 262 N GLY A 17 -0.606 -0.175 -20.037 1.00 0.00 N ATOM 263 CA GLY A 17 -1.080 -1.588 -20.041 1.00 0.00 C ATOM 264 C GLY A 17 0.074 -2.508 -19.640 1.00 0.00 C ATOM 265 O GLY A 17 1.186 -2.067 -19.434 1.00 0.00 O ATOM 0 H GLY A 17 0.338 -0.035 -19.677 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.913 -1.706 -19.348 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.448 -1.858 -21.031 1.00 0.00 H new ATOM 269 N ILE A 18 -0.178 -3.784 -19.527 1.00 0.00 N ATOM 270 CA ILE A 18 0.915 -4.719 -19.140 1.00 0.00 C ATOM 271 C ILE A 18 1.049 -5.826 -20.187 1.00 0.00 C ATOM 272 O ILE A 18 0.076 -6.411 -20.620 1.00 0.00 O ATOM 273 CB ILE A 18 0.602 -5.350 -17.781 1.00 0.00 C ATOM 274 CG1 ILE A 18 -0.772 -6.016 -17.826 1.00 0.00 C ATOM 275 CG2 ILE A 18 0.604 -4.275 -16.696 1.00 0.00 C ATOM 276 CD1 ILE A 18 -0.754 -7.268 -16.951 1.00 0.00 C ATOM 0 H ILE A 18 -1.088 -4.217 -19.685 1.00 0.00 H new ATOM 0 HA ILE A 18 1.849 -4.161 -19.078 1.00 0.00 H new ATOM 0 HB ILE A 18 1.363 -6.096 -17.554 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.537 -5.323 -17.474 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.028 -6.279 -18.852 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.381 -4.731 -15.732 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.585 -3.801 -16.655 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.152 -3.524 -16.926 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.733 -7.746 -16.980 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.000 -7.961 -17.323 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.516 -6.991 -15.924 1.00 0.00 H new ATOM 288 N GLN A 19 2.252 -6.124 -20.588 1.00 0.00 N ATOM 289 CA GLN A 19 2.458 -7.202 -21.595 1.00 0.00 C ATOM 290 C GLN A 19 3.188 -8.367 -20.925 1.00 0.00 C ATOM 291 O GLN A 19 4.075 -8.168 -20.120 1.00 0.00 O ATOM 292 CB GLN A 19 3.302 -6.667 -22.754 1.00 0.00 C ATOM 293 CG GLN A 19 3.212 -7.630 -23.940 1.00 0.00 C ATOM 294 CD GLN A 19 4.553 -7.659 -24.676 1.00 0.00 C ATOM 295 OE1 GLN A 19 5.373 -6.650 -24.554 1.00 0.00 O flip ATOM 296 NE2 GLN A 19 4.857 -8.609 -25.370 1.00 0.00 N flip ATOM 0 H GLN A 19 3.104 -5.667 -20.262 1.00 0.00 H new ATOM 0 HA GLN A 19 1.496 -7.539 -21.981 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.950 -5.678 -23.048 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.340 -6.556 -22.441 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.955 -8.630 -23.591 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.419 -7.315 -24.619 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.216 -9.397 -25.465 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.753 -8.619 -25.857 1.00 0.00 H new ATOM 305 N ILE A 20 2.830 -9.582 -21.238 1.00 0.00 N ATOM 306 CA ILE A 20 3.522 -10.735 -20.594 1.00 0.00 C ATOM 307 C ILE A 20 4.286 -11.527 -21.646 1.00 0.00 C ATOM 308 O ILE A 20 4.285 -11.196 -22.813 1.00 0.00 O ATOM 309 CB ILE A 20 2.496 -11.655 -19.919 1.00 0.00 C ATOM 310 CG1 ILE A 20 1.317 -10.823 -19.422 1.00 0.00 C ATOM 311 CG2 ILE A 20 3.143 -12.380 -18.735 1.00 0.00 C ATOM 312 CD1 ILE A 20 0.254 -11.753 -18.843 1.00 0.00 C ATOM 0 H ILE A 20 2.097 -9.825 -21.904 1.00 0.00 H new ATOM 0 HA ILE A 20 4.215 -10.354 -19.844 1.00 0.00 H new ATOM 0 HB ILE A 20 2.146 -12.392 -20.642 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.650 -10.115 -18.663 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.898 -10.238 -20.241 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.408 -13.031 -18.261 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.983 -12.978 -19.089 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.499 -11.648 -18.011 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.590 -11.163 -18.487 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.086 -12.443 -19.615 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.678 -12.318 -18.013 1.00 0.00 H new ATOM 324 N TRP A 21 4.925 -12.581 -21.233 1.00 0.00 N ATOM 325 CA TRP A 21 5.681 -13.427 -22.188 1.00 0.00 C ATOM 326 C TRP A 21 5.485 -14.881 -21.776 1.00 0.00 C ATOM 327 O TRP A 21 5.822 -15.271 -20.676 1.00 0.00 O ATOM 328 CB TRP A 21 7.168 -13.073 -22.144 1.00 0.00 C ATOM 329 CG TRP A 21 7.424 -11.886 -23.016 1.00 0.00 C ATOM 330 CD1 TRP A 21 7.837 -11.936 -24.303 1.00 0.00 C ATOM 331 CD2 TRP A 21 7.290 -10.475 -22.682 1.00 0.00 C ATOM 332 NE1 TRP A 21 7.963 -10.642 -24.781 1.00 0.00 N ATOM 333 CE2 TRP A 21 7.637 -9.705 -23.817 1.00 0.00 C ATOM 334 CE3 TRP A 21 6.905 -9.796 -21.514 1.00 0.00 C ATOM 335 CZ2 TRP A 21 7.601 -8.309 -23.790 1.00 0.00 C ATOM 336 CZ3 TRP A 21 6.868 -8.394 -21.483 1.00 0.00 C ATOM 337 CH2 TRP A 21 7.215 -7.652 -22.619 1.00 0.00 C ATOM 0 H TRP A 21 4.955 -12.895 -20.263 1.00 0.00 H new ATOM 0 HA TRP A 21 5.321 -13.263 -23.204 1.00 0.00 H new ATOM 0 HB2 TRP A 21 7.471 -12.857 -21.120 1.00 0.00 H new ATOM 0 HB3 TRP A 21 7.765 -13.921 -22.481 1.00 0.00 H new ATOM 0 HD1 TRP A 21 8.036 -12.836 -24.865 1.00 0.00 H new ATOM 0 HE1 TRP A 21 8.260 -10.408 -25.728 1.00 0.00 H new ATOM 0 HE3 TRP A 21 6.635 -10.358 -20.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 7.870 -7.741 -24.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.570 -7.884 -20.579 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.184 -6.573 -22.590 1.00 0.00 H new ATOM 348 N ARG A 22 4.923 -15.685 -22.632 1.00 0.00 N ATOM 349 CA ARG A 22 4.689 -17.103 -22.255 1.00 0.00 C ATOM 350 C ARG A 22 5.985 -17.902 -22.382 1.00 0.00 C ATOM 351 O ARG A 22 6.643 -17.895 -23.404 1.00 0.00 O ATOM 352 CB ARG A 22 3.618 -17.708 -23.165 1.00 0.00 C ATOM 353 CG ARG A 22 4.086 -17.649 -24.619 1.00 0.00 C ATOM 354 CD ARG A 22 2.874 -17.723 -25.549 1.00 0.00 C ATOM 355 NE ARG A 22 3.130 -18.731 -26.616 1.00 0.00 N ATOM 356 CZ ARG A 22 2.192 -19.027 -27.473 1.00 0.00 C ATOM 357 NH1 ARG A 22 1.490 -18.075 -28.026 1.00 0.00 N ATOM 358 NH2 ARG A 22 1.958 -20.273 -27.781 1.00 0.00 N ATOM 0 H ARG A 22 4.618 -15.424 -23.570 1.00 0.00 H new ATOM 0 HA ARG A 22 4.349 -17.143 -21.220 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.423 -18.741 -22.877 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.681 -17.163 -23.052 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.638 -16.726 -24.797 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.768 -18.474 -24.826 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.983 -17.995 -24.983 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.683 -16.747 -25.994 1.00 0.00 H new ATOM 0 HE ARG A 22 4.039 -19.190 -26.676 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.675 -17.101 -27.788 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.756 -18.306 -28.696 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.509 -21.017 -27.352 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.224 -20.504 -28.451 1.00 0.00 H new ATOM 372 N ILE A 23 6.339 -18.600 -21.342 1.00 0.00 N ATOM 373 CA ILE A 23 7.575 -19.427 -21.358 1.00 0.00 C ATOM 374 C ILE A 23 7.172 -20.862 -21.706 1.00 0.00 C ATOM 375 O ILE A 23 7.613 -21.817 -21.101 1.00 0.00 O ATOM 376 CB ILE A 23 8.217 -19.374 -19.966 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.521 -17.910 -19.599 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.508 -20.197 -19.945 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.855 -17.465 -20.214 1.00 0.00 C ATOM 0 H ILE A 23 5.815 -18.633 -20.467 1.00 0.00 H new ATOM 0 HA ILE A 23 8.292 -19.059 -22.091 1.00 0.00 H new ATOM 0 HB ILE A 23 7.525 -19.795 -19.237 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.717 -17.266 -19.955 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.560 -17.802 -18.515 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.953 -20.151 -18.951 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.282 -21.234 -20.193 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.209 -19.793 -20.676 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.052 -16.428 -19.943 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.659 -18.098 -19.837 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.803 -17.553 -21.299 1.00 0.00 H new ATOM 391 N GLU A 24 6.310 -21.001 -22.680 1.00 0.00 N ATOM 392 CA GLU A 24 5.825 -22.350 -23.093 1.00 0.00 C ATOM 393 C GLU A 24 6.949 -23.124 -23.785 1.00 0.00 C ATOM 394 O GLU A 24 7.977 -22.576 -24.123 1.00 0.00 O ATOM 395 CB GLU A 24 4.649 -22.174 -24.061 1.00 0.00 C ATOM 396 CG GLU A 24 4.284 -23.518 -24.692 1.00 0.00 C ATOM 397 CD GLU A 24 3.020 -23.358 -25.539 1.00 0.00 C ATOM 398 OE1 GLU A 24 3.151 -23.020 -26.705 1.00 0.00 O ATOM 399 OE2 GLU A 24 1.943 -23.575 -25.008 1.00 0.00 O ATOM 0 H GLU A 24 5.917 -20.226 -23.213 1.00 0.00 H new ATOM 0 HA GLU A 24 5.506 -22.909 -22.214 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.788 -21.767 -23.530 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.912 -21.457 -24.839 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.106 -23.876 -25.311 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.121 -24.265 -23.915 1.00 0.00 H new ATOM 406 N ASN A 25 6.758 -24.401 -23.990 1.00 0.00 N ATOM 407 CA ASN A 25 7.809 -25.222 -24.652 1.00 0.00 C ATOM 408 C ASN A 25 9.161 -24.920 -24.007 1.00 0.00 C ATOM 409 O ASN A 25 10.203 -25.099 -24.607 1.00 0.00 O ATOM 410 CB ASN A 25 7.853 -24.903 -26.152 1.00 0.00 C ATOM 411 CG ASN A 25 8.597 -23.586 -26.391 1.00 0.00 C ATOM 412 OD1 ASN A 25 9.810 -23.561 -26.432 1.00 0.00 O ATOM 413 ND2 ASN A 25 7.915 -22.486 -26.552 1.00 0.00 N ATOM 0 H ASN A 25 5.915 -24.911 -23.725 1.00 0.00 H new ATOM 0 HA ASN A 25 7.579 -26.280 -24.529 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.349 -25.712 -26.689 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.839 -24.833 -26.546 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.401 -21.604 -26.713 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.896 -22.508 -26.517 1.00 0.00 H new ATOM 420 N MET A 26 9.150 -24.467 -22.782 1.00 0.00 N ATOM 421 CA MET A 26 10.431 -24.160 -22.091 1.00 0.00 C ATOM 422 C MET A 26 11.215 -23.128 -22.904 1.00 0.00 C ATOM 423 O MET A 26 12.382 -23.307 -23.190 1.00 0.00 O ATOM 424 CB MET A 26 11.250 -25.445 -21.955 1.00 0.00 C ATOM 425 CG MET A 26 10.305 -26.635 -21.758 1.00 0.00 C ATOM 426 SD MET A 26 9.127 -26.262 -20.435 1.00 0.00 S ATOM 427 CE MET A 26 10.315 -26.247 -19.071 1.00 0.00 C ATOM 0 H MET A 26 8.308 -24.297 -22.232 1.00 0.00 H new ATOM 0 HA MET A 26 10.227 -23.754 -21.100 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.861 -25.595 -22.845 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.933 -25.366 -21.109 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.772 -26.846 -22.685 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.877 -27.529 -21.508 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.093 -27.065 -18.386 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.324 -26.368 -19.466 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.245 -25.299 -18.538 1.00 0.00 H new ATOM 437 N GLU A 27 10.583 -22.046 -23.275 1.00 0.00 N ATOM 438 CA GLU A 27 11.294 -21.004 -24.066 1.00 0.00 C ATOM 439 C GLU A 27 10.719 -19.626 -23.713 1.00 0.00 C ATOM 440 O GLU A 27 10.898 -19.141 -22.613 1.00 0.00 O ATOM 441 CB GLU A 27 11.112 -21.287 -25.561 1.00 0.00 C ATOM 442 CG GLU A 27 12.065 -22.404 -25.992 1.00 0.00 C ATOM 443 CD GLU A 27 13.496 -22.045 -25.585 1.00 0.00 C ATOM 444 OE1 GLU A 27 13.996 -21.046 -26.074 1.00 0.00 O ATOM 445 OE2 GLU A 27 14.065 -22.776 -24.791 1.00 0.00 O ATOM 0 H GLU A 27 9.606 -21.840 -23.064 1.00 0.00 H new ATOM 0 HA GLU A 27 12.358 -21.019 -23.831 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.081 -21.577 -25.764 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.309 -20.384 -26.139 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.770 -23.346 -25.529 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.008 -22.548 -27.071 1.00 0.00 H new ATOM 452 N MET A 28 10.025 -18.988 -24.622 1.00 0.00 N ATOM 453 CA MET A 28 9.449 -17.651 -24.306 1.00 0.00 C ATOM 454 C MET A 28 8.711 -17.101 -25.528 1.00 0.00 C ATOM 455 O MET A 28 9.012 -17.438 -26.655 1.00 0.00 O ATOM 456 CB MET A 28 10.568 -16.685 -23.916 1.00 0.00 C ATOM 457 CG MET A 28 9.954 -15.413 -23.330 1.00 0.00 C ATOM 458 SD MET A 28 10.799 -14.990 -21.787 1.00 0.00 S ATOM 459 CE MET A 28 9.908 -13.451 -21.455 1.00 0.00 C ATOM 0 H MET A 28 9.835 -19.334 -25.562 1.00 0.00 H new ATOM 0 HA MET A 28 8.750 -17.754 -23.476 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.230 -17.152 -23.187 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.175 -16.442 -24.788 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.042 -14.592 -24.042 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.890 -15.562 -23.145 1.00 0.00 H new ATOM 0 HE1 MET A 28 10.538 -12.786 -20.864 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.654 -12.967 -22.398 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.994 -13.671 -20.903 1.00 0.00 H new ATOM 469 N VAL A 29 7.747 -16.251 -25.306 1.00 0.00 N ATOM 470 CA VAL A 29 6.981 -15.667 -26.443 1.00 0.00 C ATOM 471 C VAL A 29 6.292 -14.386 -25.957 1.00 0.00 C ATOM 472 O VAL A 29 5.928 -14.290 -24.807 1.00 0.00 O ATOM 473 CB VAL A 29 5.960 -16.709 -26.938 1.00 0.00 C ATOM 474 CG1 VAL A 29 4.610 -16.063 -27.282 1.00 0.00 C ATOM 475 CG2 VAL A 29 6.526 -17.385 -28.185 1.00 0.00 C ATOM 0 H VAL A 29 7.455 -15.934 -24.381 1.00 0.00 H new ATOM 0 HA VAL A 29 7.637 -15.411 -27.275 1.00 0.00 H new ATOM 0 HB VAL A 29 5.789 -17.434 -26.142 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.917 -16.830 -27.627 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.202 -15.578 -26.395 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.751 -15.321 -28.068 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.816 -18.127 -28.551 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.699 -16.636 -28.958 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.468 -17.875 -27.938 1.00 0.00 H new ATOM 485 N PRO A 30 6.151 -13.437 -26.846 1.00 0.00 N ATOM 486 CA PRO A 30 5.526 -12.138 -26.529 1.00 0.00 C ATOM 487 C PRO A 30 4.005 -12.257 -26.382 1.00 0.00 C ATOM 488 O PRO A 30 3.271 -12.177 -27.344 1.00 0.00 O ATOM 489 CB PRO A 30 5.900 -11.258 -27.727 1.00 0.00 C ATOM 490 CG PRO A 30 6.223 -12.222 -28.892 1.00 0.00 C ATOM 491 CD PRO A 30 6.595 -13.571 -28.251 1.00 0.00 C ATOM 0 HA PRO A 30 5.869 -11.733 -25.577 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.079 -10.591 -27.991 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.759 -10.629 -27.494 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.365 -12.331 -29.555 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.046 -11.839 -29.496 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.095 -14.401 -28.750 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.667 -13.760 -28.314 1.00 0.00 H new ATOM 499 N VAL A 31 3.535 -12.425 -25.173 1.00 0.00 N ATOM 500 CA VAL A 31 2.064 -12.528 -24.938 1.00 0.00 C ATOM 501 C VAL A 31 1.445 -11.125 -25.023 1.00 0.00 C ATOM 502 O VAL A 31 1.714 -10.287 -24.179 1.00 0.00 O ATOM 503 CB VAL A 31 1.809 -13.093 -23.539 1.00 0.00 C ATOM 504 CG1 VAL A 31 0.303 -13.224 -23.306 1.00 0.00 C ATOM 505 CG2 VAL A 31 2.462 -14.470 -23.411 1.00 0.00 C ATOM 0 H VAL A 31 4.110 -12.496 -24.334 1.00 0.00 H new ATOM 0 HA VAL A 31 1.620 -13.183 -25.688 1.00 0.00 H new ATOM 0 HB VAL A 31 2.237 -12.418 -22.797 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.123 -13.627 -22.309 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.165 -12.243 -23.391 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.123 -13.896 -24.051 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.278 -14.869 -22.413 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.038 -15.144 -24.155 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.536 -14.380 -23.573 1.00 0.00 H new ATOM 515 N PRO A 32 0.640 -10.905 -26.034 1.00 0.00 N ATOM 516 CA PRO A 32 -0.022 -9.605 -26.250 1.00 0.00 C ATOM 517 C PRO A 32 -1.233 -9.456 -25.323 1.00 0.00 C ATOM 518 O PRO A 32 -1.364 -10.154 -24.337 1.00 0.00 O ATOM 519 CB PRO A 32 -0.466 -9.666 -27.713 1.00 0.00 C ATOM 520 CG PRO A 32 -0.553 -11.166 -28.080 1.00 0.00 C ATOM 521 CD PRO A 32 0.309 -11.923 -27.052 1.00 0.00 C ATOM 0 HA PRO A 32 0.629 -8.756 -26.039 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.431 -9.177 -27.847 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.246 -9.149 -28.357 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.586 -11.513 -28.049 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.189 -11.339 -29.093 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.236 -12.760 -26.615 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.208 -12.333 -27.512 1.00 0.00 H new ATOM 529 N THR A 33 -2.120 -8.550 -25.636 1.00 0.00 N ATOM 530 CA THR A 33 -3.325 -8.355 -24.778 1.00 0.00 C ATOM 531 C THR A 33 -4.431 -9.295 -25.251 1.00 0.00 C ATOM 532 O THR A 33 -5.498 -9.357 -24.670 1.00 0.00 O ATOM 533 CB THR A 33 -3.824 -6.907 -24.885 1.00 0.00 C ATOM 534 OG1 THR A 33 -4.937 -6.850 -25.769 1.00 0.00 O ATOM 535 CG2 THR A 33 -2.712 -6.010 -25.425 1.00 0.00 C ATOM 0 H THR A 33 -2.063 -7.936 -26.449 1.00 0.00 H new ATOM 0 HA THR A 33 -3.062 -8.569 -23.742 1.00 0.00 H new ATOM 0 HB THR A 33 -4.120 -6.562 -23.895 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.255 -5.926 -25.835 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.075 -4.985 -25.498 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.856 -6.045 -24.751 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.410 -6.359 -26.413 1.00 0.00 H new ATOM 543 N LYS A 34 -4.197 -10.018 -26.309 1.00 0.00 N ATOM 544 CA LYS A 34 -5.246 -10.937 -26.815 1.00 0.00 C ATOM 545 C LYS A 34 -5.130 -12.292 -26.111 1.00 0.00 C ATOM 546 O LYS A 34 -5.787 -13.247 -26.475 1.00 0.00 O ATOM 547 CB LYS A 34 -5.075 -11.129 -28.324 1.00 0.00 C ATOM 548 CG LYS A 34 -4.851 -9.770 -28.990 1.00 0.00 C ATOM 549 CD LYS A 34 -6.058 -8.867 -28.726 1.00 0.00 C ATOM 550 CE LYS A 34 -7.195 -9.244 -29.679 1.00 0.00 C ATOM 551 NZ LYS A 34 -7.373 -8.164 -30.689 1.00 0.00 N ATOM 0 H LYS A 34 -3.327 -10.011 -26.842 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.227 -10.508 -26.612 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.230 -11.787 -28.524 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.959 -11.610 -28.743 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.945 -9.307 -28.600 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.707 -9.898 -30.063 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.386 -8.973 -27.692 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.782 -7.822 -28.867 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.970 -10.188 -30.176 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.119 -9.390 -29.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.145 -8.419 -31.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.606 -7.273 -30.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.492 -8.045 -31.229 1.00 0.00 H new ATOM 565 N SER A 35 -4.297 -12.387 -25.109 1.00 0.00 N ATOM 566 CA SER A 35 -4.145 -13.686 -24.394 1.00 0.00 C ATOM 567 C SER A 35 -3.537 -13.455 -23.008 1.00 0.00 C ATOM 568 O SER A 35 -2.984 -14.356 -22.408 1.00 0.00 O ATOM 569 CB SER A 35 -3.228 -14.605 -25.203 1.00 0.00 C ATOM 570 OG SER A 35 -3.858 -14.930 -26.436 1.00 0.00 O ATOM 0 H SER A 35 -3.718 -11.625 -24.757 1.00 0.00 H new ATOM 0 HA SER A 35 -5.126 -14.148 -24.281 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.273 -14.114 -25.388 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.015 -15.513 -24.639 1.00 0.00 H new ATOM 0 HG SER A 35 -4.797 -14.649 -26.408 1.00 0.00 H new ATOM 576 N TYR A 36 -3.635 -12.261 -22.488 1.00 0.00 N ATOM 577 CA TYR A 36 -3.061 -11.993 -21.138 1.00 0.00 C ATOM 578 C TYR A 36 -4.124 -12.270 -20.071 1.00 0.00 C ATOM 579 O TYR A 36 -4.165 -11.629 -19.040 1.00 0.00 O ATOM 580 CB TYR A 36 -2.604 -10.531 -21.046 1.00 0.00 C ATOM 581 CG TYR A 36 -3.801 -9.624 -20.878 1.00 0.00 C ATOM 582 CD1 TYR A 36 -4.593 -9.301 -21.984 1.00 0.00 C ATOM 583 CD2 TYR A 36 -4.118 -9.109 -19.615 1.00 0.00 C ATOM 584 CE1 TYR A 36 -5.703 -8.461 -21.829 1.00 0.00 C ATOM 585 CE2 TYR A 36 -5.226 -8.269 -19.460 1.00 0.00 C ATOM 586 CZ TYR A 36 -6.020 -7.945 -20.567 1.00 0.00 C ATOM 587 OH TYR A 36 -7.113 -7.117 -20.414 1.00 0.00 O ATOM 0 H TYR A 36 -4.085 -11.463 -22.937 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.202 -12.644 -20.975 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.923 -10.407 -20.204 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.053 -10.256 -21.946 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.349 -9.699 -22.958 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.507 -9.360 -18.761 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.315 -8.211 -22.683 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.469 -7.870 -18.486 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.191 -6.849 -19.475 1.00 0.00 H new ATOM 597 N GLY A 37 -4.985 -13.219 -20.312 1.00 0.00 N ATOM 598 CA GLY A 37 -6.044 -13.533 -19.313 1.00 0.00 C ATOM 599 C GLY A 37 -5.956 -15.008 -18.917 1.00 0.00 C ATOM 600 O GLY A 37 -6.603 -15.449 -17.989 1.00 0.00 O ATOM 0 H GLY A 37 -5.001 -13.790 -21.157 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.925 -12.902 -18.432 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.027 -13.316 -19.730 1.00 0.00 H new ATOM 604 N ASN A 38 -5.166 -15.776 -19.615 1.00 0.00 N ATOM 605 CA ASN A 38 -5.046 -17.220 -19.275 1.00 0.00 C ATOM 606 C ASN A 38 -3.632 -17.715 -19.595 1.00 0.00 C ATOM 607 O ASN A 38 -3.304 -17.992 -20.731 1.00 0.00 O ATOM 608 CB ASN A 38 -6.058 -18.017 -20.100 1.00 0.00 C ATOM 609 CG ASN A 38 -7.379 -17.250 -20.167 1.00 0.00 C ATOM 610 OD1 ASN A 38 -8.142 -17.244 -19.221 1.00 0.00 O ATOM 611 ND2 ASN A 38 -7.686 -16.596 -21.254 1.00 0.00 N ATOM 0 H ASN A 38 -4.600 -15.466 -20.405 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.243 -17.357 -18.212 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.672 -18.185 -21.105 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.217 -18.998 -19.651 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.565 -16.081 -21.308 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.047 -16.600 -22.049 1.00 0.00 H new ATOM 618 N PHE A 39 -2.796 -17.835 -18.599 1.00 0.00 N ATOM 619 CA PHE A 39 -1.405 -18.321 -18.847 1.00 0.00 C ATOM 620 C PHE A 39 -1.213 -19.666 -18.144 1.00 0.00 C ATOM 621 O PHE A 39 -1.549 -19.822 -16.989 1.00 0.00 O ATOM 622 CB PHE A 39 -0.381 -17.308 -18.315 1.00 0.00 C ATOM 623 CG PHE A 39 -1.025 -16.389 -17.302 1.00 0.00 C ATOM 624 CD1 PHE A 39 -1.785 -15.295 -17.735 1.00 0.00 C ATOM 625 CD2 PHE A 39 -0.857 -16.626 -15.933 1.00 0.00 C ATOM 626 CE1 PHE A 39 -2.376 -14.438 -16.800 1.00 0.00 C ATOM 627 CE2 PHE A 39 -1.451 -15.770 -14.996 1.00 0.00 C ATOM 628 CZ PHE A 39 -2.209 -14.676 -15.430 1.00 0.00 C ATOM 0 H PHE A 39 -3.014 -17.619 -17.626 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.252 -18.438 -19.920 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.456 -17.834 -17.857 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.024 -16.723 -19.141 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.915 -15.113 -18.792 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.270 -17.468 -15.599 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.960 -13.594 -17.135 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.324 -15.954 -13.939 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.665 -14.015 -14.708 1.00 0.00 H new ATOM 638 N TYR A 40 -0.683 -20.641 -18.839 1.00 0.00 N ATOM 639 CA TYR A 40 -0.481 -21.990 -18.225 1.00 0.00 C ATOM 640 C TYR A 40 -0.012 -21.839 -16.775 1.00 0.00 C ATOM 641 O TYR A 40 0.559 -20.836 -16.398 1.00 0.00 O ATOM 642 CB TYR A 40 0.580 -22.763 -19.016 1.00 0.00 C ATOM 643 CG TYR A 40 0.116 -22.988 -20.442 1.00 0.00 C ATOM 644 CD1 TYR A 40 -1.112 -22.470 -20.885 1.00 0.00 C ATOM 645 CD2 TYR A 40 0.917 -23.723 -21.323 1.00 0.00 C ATOM 646 CE1 TYR A 40 -1.532 -22.687 -22.200 1.00 0.00 C ATOM 647 CE2 TYR A 40 0.495 -23.941 -22.640 1.00 0.00 C ATOM 648 CZ TYR A 40 -0.729 -23.422 -23.079 1.00 0.00 C ATOM 649 OH TYR A 40 -1.145 -23.637 -24.378 1.00 0.00 O ATOM 0 H TYR A 40 -0.380 -20.561 -19.810 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.426 -22.533 -18.247 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.519 -22.209 -19.015 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.775 -23.721 -18.535 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.733 -21.903 -20.208 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.862 -24.123 -20.987 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.477 -22.287 -22.538 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.114 -24.510 -23.318 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.583 -23.120 -24.991 1.00 0.00 H new ATOM 659 N GLU A 41 -0.258 -22.829 -15.962 1.00 0.00 N ATOM 660 CA GLU A 41 0.161 -22.751 -14.535 1.00 0.00 C ATOM 661 C GLU A 41 1.558 -23.336 -14.365 1.00 0.00 C ATOM 662 O GLU A 41 2.404 -22.769 -13.702 1.00 0.00 O ATOM 663 CB GLU A 41 -0.835 -23.533 -13.666 1.00 0.00 C ATOM 664 CG GLU A 41 -0.546 -25.034 -13.762 1.00 0.00 C ATOM 665 CD GLU A 41 -1.581 -25.806 -12.939 1.00 0.00 C ATOM 666 OE1 GLU A 41 -1.497 -25.756 -11.723 1.00 0.00 O ATOM 667 OE2 GLU A 41 -2.437 -26.434 -13.539 1.00 0.00 O ATOM 0 H GLU A 41 -0.733 -23.692 -16.226 1.00 0.00 H new ATOM 0 HA GLU A 41 0.176 -21.706 -14.225 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.761 -23.205 -12.629 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.855 -23.329 -13.993 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.580 -25.356 -14.803 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.458 -25.246 -13.395 1.00 0.00 H new ATOM 674 N GLY A 42 1.803 -24.476 -14.941 1.00 0.00 N ATOM 675 CA GLY A 42 3.139 -25.102 -14.792 1.00 0.00 C ATOM 676 C GLY A 42 4.115 -24.503 -15.806 1.00 0.00 C ATOM 677 O GLY A 42 4.568 -25.175 -16.711 1.00 0.00 O ATOM 0 H GLY A 42 1.136 -25.000 -15.508 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.512 -24.945 -13.780 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.063 -26.179 -14.941 1.00 0.00 H new ATOM 681 N ASP A 43 4.459 -23.246 -15.663 1.00 0.00 N ATOM 682 CA ASP A 43 5.422 -22.632 -16.630 1.00 0.00 C ATOM 683 C ASP A 43 6.002 -21.333 -16.052 1.00 0.00 C ATOM 684 O ASP A 43 6.171 -21.185 -14.858 1.00 0.00 O ATOM 685 CB ASP A 43 4.715 -22.315 -17.959 1.00 0.00 C ATOM 686 CG ASP A 43 3.625 -23.347 -18.250 1.00 0.00 C ATOM 687 OD1 ASP A 43 2.622 -23.334 -17.555 1.00 0.00 O ATOM 688 OD2 ASP A 43 3.810 -24.132 -19.166 1.00 0.00 O ATOM 0 H ASP A 43 4.120 -22.625 -14.928 1.00 0.00 H new ATOM 0 HA ASP A 43 6.228 -23.345 -16.806 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.277 -21.318 -17.915 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.442 -22.308 -18.771 1.00 0.00 H new ATOM 693 N CYS A 44 6.305 -20.391 -16.911 1.00 0.00 N ATOM 694 CA CYS A 44 6.873 -19.085 -16.467 1.00 0.00 C ATOM 695 C CYS A 44 6.316 -17.991 -17.375 1.00 0.00 C ATOM 696 O CYS A 44 6.185 -18.174 -18.565 1.00 0.00 O ATOM 697 CB CYS A 44 8.398 -19.133 -16.608 1.00 0.00 C ATOM 698 SG CYS A 44 9.123 -19.957 -15.170 1.00 0.00 S ATOM 0 H CYS A 44 6.179 -20.476 -17.920 1.00 0.00 H new ATOM 0 HA CYS A 44 6.610 -18.884 -15.429 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.671 -19.665 -17.519 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.796 -18.122 -16.698 1.00 0.00 H new ATOM 0 HG CYS A 44 8.220 -20.691 -14.589 1.00 0.00 H new ATOM 704 N TYR A 45 5.977 -16.859 -16.830 1.00 0.00 N ATOM 705 CA TYR A 45 5.419 -15.773 -17.682 1.00 0.00 C ATOM 706 C TYR A 45 6.033 -14.434 -17.284 1.00 0.00 C ATOM 707 O TYR A 45 5.742 -13.899 -16.235 1.00 0.00 O ATOM 708 CB TYR A 45 3.905 -15.708 -17.491 1.00 0.00 C ATOM 709 CG TYR A 45 3.254 -16.820 -18.272 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.376 -18.144 -17.837 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.527 -16.528 -19.429 1.00 0.00 C ATOM 712 CE1 TYR A 45 2.773 -19.176 -18.559 1.00 0.00 C ATOM 713 CE2 TYR A 45 1.922 -17.560 -20.153 1.00 0.00 C ATOM 714 CZ TYR A 45 2.045 -18.885 -19.718 1.00 0.00 C ATOM 715 OH TYR A 45 1.452 -19.903 -20.435 1.00 0.00 O ATOM 0 H TYR A 45 6.061 -16.638 -15.838 1.00 0.00 H new ATOM 0 HA TYR A 45 5.652 -15.981 -18.726 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.657 -15.798 -16.433 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.526 -14.743 -17.827 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.937 -18.368 -16.942 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.432 -15.506 -19.764 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.868 -20.198 -18.223 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.360 -17.335 -21.047 1.00 0.00 H new ATOM 0 HH TYR A 45 0.985 -19.528 -21.211 1.00 0.00 H new ATOM 725 N VAL A 46 6.866 -13.877 -18.117 1.00 0.00 N ATOM 726 CA VAL A 46 7.476 -12.564 -17.776 1.00 0.00 C ATOM 727 C VAL A 46 6.449 -11.468 -18.050 1.00 0.00 C ATOM 728 O VAL A 46 5.830 -11.437 -19.090 1.00 0.00 O ATOM 729 CB VAL A 46 8.720 -12.333 -18.637 1.00 0.00 C ATOM 730 CG1 VAL A 46 9.438 -11.067 -18.168 1.00 0.00 C ATOM 731 CG2 VAL A 46 9.663 -13.531 -18.501 1.00 0.00 C ATOM 0 H VAL A 46 7.149 -14.272 -19.014 1.00 0.00 H new ATOM 0 HA VAL A 46 7.768 -12.549 -16.726 1.00 0.00 H new ATOM 0 HB VAL A 46 8.423 -12.218 -19.679 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.324 -10.903 -18.781 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.768 -10.213 -18.262 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.735 -11.182 -17.125 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.549 -13.368 -19.114 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.959 -13.645 -17.458 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.153 -14.435 -18.834 1.00 0.00 H new ATOM 741 N LEU A 47 6.245 -10.583 -17.119 1.00 0.00 N ATOM 742 CA LEU A 47 5.238 -9.507 -17.327 1.00 0.00 C ATOM 743 C LEU A 47 5.952 -8.157 -17.455 1.00 0.00 C ATOM 744 O LEU A 47 7.107 -8.022 -17.107 1.00 0.00 O ATOM 745 CB LEU A 47 4.283 -9.504 -16.130 1.00 0.00 C ATOM 746 CG LEU A 47 3.282 -8.362 -16.256 1.00 0.00 C ATOM 747 CD1 LEU A 47 1.991 -8.739 -15.528 1.00 0.00 C ATOM 748 CD2 LEU A 47 3.878 -7.105 -15.619 1.00 0.00 C ATOM 0 H LEU A 47 6.731 -10.557 -16.223 1.00 0.00 H new ATOM 0 HA LEU A 47 4.672 -9.682 -18.242 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.754 -10.456 -16.075 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.849 -9.400 -15.204 1.00 0.00 H new ATOM 0 HG LEU A 47 3.064 -8.174 -17.307 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.272 -7.924 -15.616 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.572 -9.642 -15.973 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.207 -8.920 -14.475 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.168 -6.282 -15.705 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.088 -7.295 -14.566 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.803 -6.841 -16.132 1.00 0.00 H new ATOM 760 N LEU A 48 5.282 -7.158 -17.963 1.00 0.00 N ATOM 761 CA LEU A 48 5.931 -5.823 -18.117 1.00 0.00 C ATOM 762 C LEU A 48 4.858 -4.734 -18.087 1.00 0.00 C ATOM 763 O LEU A 48 4.283 -4.386 -19.098 1.00 0.00 O ATOM 764 CB LEU A 48 6.684 -5.765 -19.452 1.00 0.00 C ATOM 765 CG LEU A 48 7.081 -4.317 -19.751 1.00 0.00 C ATOM 766 CD1 LEU A 48 7.898 -3.757 -18.585 1.00 0.00 C ATOM 767 CD2 LEU A 48 7.922 -4.274 -21.028 1.00 0.00 C ATOM 0 H LEU A 48 4.313 -7.208 -18.278 1.00 0.00 H new ATOM 0 HA LEU A 48 6.636 -5.665 -17.301 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.572 -6.395 -19.409 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.056 -6.154 -20.253 1.00 0.00 H new ATOM 0 HG LEU A 48 6.182 -3.715 -19.885 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.180 -2.726 -18.800 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.300 -3.787 -17.674 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.797 -4.358 -18.449 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.206 -3.244 -21.242 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.820 -4.877 -20.893 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.341 -4.671 -21.860 1.00 0.00 H new ATOM 779 N SER A 49 4.579 -4.199 -16.931 1.00 0.00 N ATOM 780 CA SER A 49 3.538 -3.138 -16.832 1.00 0.00 C ATOM 781 C SER A 49 4.130 -1.791 -17.232 1.00 0.00 C ATOM 782 O SER A 49 5.300 -1.528 -17.044 1.00 0.00 O ATOM 783 CB SER A 49 3.025 -3.062 -15.394 1.00 0.00 C ATOM 784 OG SER A 49 1.766 -2.400 -15.379 1.00 0.00 O ATOM 0 H SER A 49 5.027 -4.451 -16.050 1.00 0.00 H new ATOM 0 HA SER A 49 2.714 -3.380 -17.503 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.927 -4.064 -14.977 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.739 -2.525 -14.769 1.00 0.00 H new ATOM 0 HG SER A 49 1.433 -2.351 -14.459 1.00 0.00 H new ATOM 790 N THR A 50 3.322 -0.941 -17.792 1.00 0.00 N ATOM 791 CA THR A 50 3.819 0.390 -18.221 1.00 0.00 C ATOM 792 C THR A 50 2.757 1.450 -17.901 1.00 0.00 C ATOM 793 O THR A 50 1.660 1.423 -18.423 1.00 0.00 O ATOM 794 CB THR A 50 4.091 0.340 -19.729 1.00 0.00 C ATOM 795 OG1 THR A 50 5.395 -0.181 -19.949 1.00 0.00 O ATOM 796 CG2 THR A 50 3.994 1.741 -20.341 1.00 0.00 C ATOM 0 H THR A 50 2.333 -1.112 -17.972 1.00 0.00 H new ATOM 0 HA THR A 50 4.738 0.648 -17.695 1.00 0.00 H new ATOM 0 HB THR A 50 3.346 -0.300 -20.202 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.013 0.555 -20.141 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.190 1.685 -21.412 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.994 2.142 -20.176 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.729 2.395 -19.871 1.00 0.00 H new ATOM 804 N ARG A 51 3.076 2.382 -17.044 1.00 0.00 N ATOM 805 CA ARG A 51 2.087 3.439 -16.691 1.00 0.00 C ATOM 806 C ARG A 51 2.576 4.792 -17.214 1.00 0.00 C ATOM 807 O ARG A 51 3.665 4.907 -17.743 1.00 0.00 O ATOM 808 CB ARG A 51 1.933 3.505 -15.170 1.00 0.00 C ATOM 809 CG ARG A 51 1.811 2.088 -14.607 1.00 0.00 C ATOM 810 CD ARG A 51 2.778 1.919 -13.434 1.00 0.00 C ATOM 811 NE ARG A 51 2.394 2.848 -12.335 1.00 0.00 N ATOM 812 CZ ARG A 51 1.777 2.392 -11.280 1.00 0.00 C ATOM 813 NH1 ARG A 51 0.818 1.515 -11.412 1.00 0.00 N ATOM 814 NH2 ARG A 51 2.118 2.811 -10.092 1.00 0.00 N ATOM 0 H ARG A 51 3.978 2.457 -16.574 1.00 0.00 H new ATOM 0 HA ARG A 51 1.124 3.202 -17.144 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.792 4.010 -14.729 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.051 4.089 -14.908 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.788 1.903 -14.278 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.034 1.356 -15.384 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.757 0.889 -13.078 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.798 2.124 -13.758 1.00 0.00 H new ATOM 0 HE ARG A 51 2.614 3.841 -12.407 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.551 1.187 -12.340 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.336 1.159 -10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.867 3.495 -9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.635 2.454 -9.267 1.00 0.00 H new ATOM 828 N LYS A 52 1.782 5.817 -17.070 1.00 0.00 N ATOM 829 CA LYS A 52 2.202 7.160 -17.558 1.00 0.00 C ATOM 830 C LYS A 52 2.502 8.065 -16.362 1.00 0.00 C ATOM 831 O LYS A 52 2.024 7.842 -15.268 1.00 0.00 O ATOM 832 CB LYS A 52 1.076 7.773 -18.394 1.00 0.00 C ATOM 833 CG LYS A 52 -0.260 7.573 -17.675 1.00 0.00 C ATOM 834 CD LYS A 52 -1.112 8.835 -17.818 1.00 0.00 C ATOM 835 CE LYS A 52 -2.335 8.531 -18.686 1.00 0.00 C ATOM 836 NZ LYS A 52 -3.414 7.954 -17.836 1.00 0.00 N ATOM 0 H LYS A 52 0.860 5.782 -16.635 1.00 0.00 H new ATOM 0 HA LYS A 52 3.097 7.061 -18.172 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.262 8.836 -18.550 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.045 7.307 -19.379 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.787 6.717 -18.096 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.088 7.355 -16.621 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.428 9.186 -16.836 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.523 9.635 -18.268 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.686 9.442 -19.170 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.068 7.832 -19.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.246 7.747 -18.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.075 7.076 -17.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.675 8.636 -17.096 1.00 0.00 H new ATOM 850 N THR A 53 3.291 9.085 -16.560 1.00 0.00 N ATOM 851 CA THR A 53 3.619 10.002 -15.432 1.00 0.00 C ATOM 852 C THR A 53 3.796 11.425 -15.967 1.00 0.00 C ATOM 853 O THR A 53 3.502 11.710 -17.111 1.00 0.00 O ATOM 854 CB THR A 53 4.917 9.543 -14.763 1.00 0.00 C ATOM 855 OG1 THR A 53 5.934 9.411 -15.748 1.00 0.00 O ATOM 856 CG2 THR A 53 4.691 8.196 -14.077 1.00 0.00 C ATOM 0 H THR A 53 3.722 9.323 -17.453 1.00 0.00 H new ATOM 0 HA THR A 53 2.809 9.986 -14.703 1.00 0.00 H new ATOM 0 HB THR A 53 5.223 10.279 -14.020 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.628 8.805 -16.455 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.616 7.870 -13.601 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.911 8.298 -13.322 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.384 7.457 -14.818 1.00 0.00 H new ATOM 864 N GLY A 54 4.274 12.321 -15.147 1.00 0.00 N ATOM 865 CA GLY A 54 4.469 13.725 -15.610 1.00 0.00 C ATOM 866 C GLY A 54 5.815 13.844 -16.328 1.00 0.00 C ATOM 867 O GLY A 54 6.272 14.928 -16.633 1.00 0.00 O ATOM 0 H GLY A 54 4.538 12.142 -14.178 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.660 14.013 -16.281 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.437 14.407 -14.760 1.00 0.00 H new ATOM 871 N SER A 55 6.451 12.739 -16.602 1.00 0.00 N ATOM 872 CA SER A 55 7.767 12.789 -17.301 1.00 0.00 C ATOM 873 C SER A 55 7.782 11.758 -18.432 1.00 0.00 C ATOM 874 O SER A 55 8.040 12.080 -19.574 1.00 0.00 O ATOM 875 CB SER A 55 8.885 12.473 -16.307 1.00 0.00 C ATOM 876 OG SER A 55 8.438 11.473 -15.401 1.00 0.00 O ATOM 0 H SER A 55 6.117 11.803 -16.372 1.00 0.00 H new ATOM 0 HA SER A 55 7.921 13.785 -17.715 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.773 12.129 -16.838 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.168 13.374 -15.762 1.00 0.00 H new ATOM 0 HG SER A 55 9.153 11.266 -14.763 1.00 0.00 H new ATOM 882 N GLY A 56 7.505 10.521 -18.122 1.00 0.00 N ATOM 883 CA GLY A 56 7.504 9.471 -19.178 1.00 0.00 C ATOM 884 C GLY A 56 6.643 8.290 -18.724 1.00 0.00 C ATOM 885 O GLY A 56 5.555 8.465 -18.213 1.00 0.00 O ATOM 0 H GLY A 56 7.279 10.193 -17.183 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.116 9.879 -20.111 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.523 9.137 -19.375 1.00 0.00 H new ATOM 889 N PHE A 57 7.122 7.091 -18.905 1.00 0.00 N ATOM 890 CA PHE A 57 6.330 5.902 -18.482 1.00 0.00 C ATOM 891 C PHE A 57 7.120 5.099 -17.448 1.00 0.00 C ATOM 892 O PHE A 57 8.328 4.989 -17.522 1.00 0.00 O ATOM 893 CB PHE A 57 6.049 5.014 -19.696 1.00 0.00 C ATOM 894 CG PHE A 57 5.135 5.737 -20.656 1.00 0.00 C ATOM 895 CD1 PHE A 57 5.667 6.645 -21.579 1.00 0.00 C ATOM 896 CD2 PHE A 57 3.757 5.497 -20.623 1.00 0.00 C ATOM 897 CE1 PHE A 57 4.820 7.313 -22.471 1.00 0.00 C ATOM 898 CE2 PHE A 57 2.909 6.165 -21.516 1.00 0.00 C ATOM 899 CZ PHE A 57 3.440 7.073 -22.439 1.00 0.00 C ATOM 0 H PHE A 57 8.027 6.883 -19.327 1.00 0.00 H new ATOM 0 HA PHE A 57 5.389 6.237 -18.045 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.984 4.756 -20.194 1.00 0.00 H new ATOM 0 HB3 PHE A 57 5.589 4.079 -19.376 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.731 6.830 -21.603 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.347 4.797 -19.910 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.230 8.013 -23.184 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.845 5.979 -21.492 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.786 7.589 -23.127 1.00 0.00 H new ATOM 909 N SER A 58 6.446 4.527 -16.491 1.00 0.00 N ATOM 910 CA SER A 58 7.151 3.719 -15.458 1.00 0.00 C ATOM 911 C SER A 58 6.985 2.237 -15.797 1.00 0.00 C ATOM 912 O SER A 58 5.920 1.674 -15.651 1.00 0.00 O ATOM 913 CB SER A 58 6.544 4.001 -14.082 1.00 0.00 C ATOM 914 OG SER A 58 6.727 5.373 -13.760 1.00 0.00 O ATOM 0 H SER A 58 5.434 4.584 -16.379 1.00 0.00 H new ATOM 0 HA SER A 58 8.209 3.981 -15.441 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.482 3.754 -14.083 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.017 3.372 -13.327 1.00 0.00 H new ATOM 0 HG SER A 58 6.338 5.557 -12.880 1.00 0.00 H new ATOM 920 N TYR A 59 8.026 1.604 -16.266 1.00 0.00 N ATOM 921 CA TYR A 59 7.910 0.165 -16.629 1.00 0.00 C ATOM 922 C TYR A 59 8.116 -0.713 -15.394 1.00 0.00 C ATOM 923 O TYR A 59 8.736 -0.320 -14.426 1.00 0.00 O ATOM 924 CB TYR A 59 8.959 -0.184 -17.687 1.00 0.00 C ATOM 925 CG TYR A 59 8.959 0.876 -18.764 1.00 0.00 C ATOM 926 CD1 TYR A 59 7.751 1.440 -19.189 1.00 0.00 C ATOM 927 CD2 TYR A 59 10.168 1.291 -19.338 1.00 0.00 C ATOM 928 CE1 TYR A 59 7.751 2.421 -20.188 1.00 0.00 C ATOM 929 CE2 TYR A 59 10.167 2.271 -20.336 1.00 0.00 C ATOM 930 CZ TYR A 59 8.959 2.837 -20.762 1.00 0.00 C ATOM 931 OH TYR A 59 8.958 3.804 -21.747 1.00 0.00 O ATOM 0 H TYR A 59 8.946 2.019 -16.412 1.00 0.00 H new ATOM 0 HA TYR A 59 6.913 -0.018 -17.029 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.945 -0.252 -17.228 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.742 -1.160 -18.122 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.819 1.119 -18.747 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.100 0.855 -19.010 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.819 2.857 -20.516 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.099 2.591 -20.778 1.00 0.00 H new ATOM 0 HH TYR A 59 9.878 3.977 -22.036 1.00 0.00 H new ATOM 941 N ASN A 60 7.593 -1.906 -15.435 1.00 0.00 N ATOM 942 CA ASN A 60 7.735 -2.846 -14.290 1.00 0.00 C ATOM 943 C ASN A 60 7.892 -4.257 -14.852 1.00 0.00 C ATOM 944 O ASN A 60 6.942 -4.868 -15.294 1.00 0.00 O ATOM 945 CB ASN A 60 6.481 -2.774 -13.417 1.00 0.00 C ATOM 946 CG ASN A 60 6.759 -1.894 -12.196 1.00 0.00 C ATOM 947 OD1 ASN A 60 7.895 -1.571 -11.913 1.00 0.00 O ATOM 948 ND2 ASN A 60 5.762 -1.490 -11.457 1.00 0.00 N ATOM 0 H ASN A 60 7.065 -2.275 -16.226 1.00 0.00 H new ATOM 0 HA ASN A 60 8.603 -2.584 -13.685 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.649 -2.366 -13.991 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.189 -3.775 -13.098 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.937 -0.903 -10.642 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.808 -1.761 -11.695 1.00 0.00 H new ATOM 955 N ILE A 61 9.090 -4.768 -14.866 1.00 0.00 N ATOM 956 CA ILE A 61 9.308 -6.129 -15.428 1.00 0.00 C ATOM 957 C ILE A 61 9.216 -7.180 -14.329 1.00 0.00 C ATOM 958 O ILE A 61 10.050 -7.257 -13.450 1.00 0.00 O ATOM 959 CB ILE A 61 10.689 -6.203 -16.068 1.00 0.00 C ATOM 960 CG1 ILE A 61 10.835 -5.079 -17.097 1.00 0.00 C ATOM 961 CG2 ILE A 61 10.846 -7.556 -16.761 1.00 0.00 C ATOM 962 CD1 ILE A 61 12.272 -4.556 -17.083 1.00 0.00 C ATOM 0 H ILE A 61 9.927 -4.303 -14.513 1.00 0.00 H new ATOM 0 HA ILE A 61 8.538 -6.323 -16.175 1.00 0.00 H new ATOM 0 HB ILE A 61 11.457 -6.092 -15.303 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.581 -5.447 -18.091 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.141 -4.270 -16.869 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.832 -7.617 -17.222 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.738 -8.355 -16.028 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.080 -7.663 -17.529 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.375 -3.756 -17.816 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.510 -4.172 -16.091 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.957 -5.367 -17.332 1.00 0.00 H new ATOM 974 N HIS A 62 8.205 -7.995 -14.382 1.00 0.00 N ATOM 975 CA HIS A 62 8.040 -9.055 -13.357 1.00 0.00 C ATOM 976 C HIS A 62 8.412 -10.399 -13.953 1.00 0.00 C ATOM 977 O HIS A 62 8.506 -10.550 -15.154 1.00 0.00 O ATOM 978 CB HIS A 62 6.574 -9.134 -12.956 1.00 0.00 C ATOM 979 CG HIS A 62 6.141 -7.831 -12.354 1.00 0.00 C ATOM 980 ND1 HIS A 62 6.177 -6.552 -12.844 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 5.577 -7.742 -11.091 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 5.644 -5.675 -11.903 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 5.298 -6.445 -10.866 1.00 0.00 N flip ATOM 0 H HIS A 62 7.479 -7.972 -15.098 1.00 0.00 H new ATOM 0 HA HIS A 62 8.673 -8.822 -12.501 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.961 -9.364 -13.828 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.426 -9.943 -12.240 1.00 0.00 H new ATOM 0 HD1 HIS A 62 6.539 -6.283 -13.759 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.395 -8.562 -10.413 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.534 -4.604 -11.992 1.00 0.00 H new ATOM 991 N TYR A 63 8.575 -11.394 -13.135 1.00 0.00 N ATOM 992 CA TYR A 63 8.875 -12.727 -13.700 1.00 0.00 C ATOM 993 C TYR A 63 8.076 -13.796 -12.959 1.00 0.00 C ATOM 994 O TYR A 63 8.354 -14.142 -11.827 1.00 0.00 O ATOM 995 CB TYR A 63 10.377 -13.037 -13.656 1.00 0.00 C ATOM 996 CG TYR A 63 10.924 -12.896 -12.256 1.00 0.00 C ATOM 997 CD1 TYR A 63 10.889 -13.984 -11.377 1.00 0.00 C ATOM 998 CD2 TYR A 63 11.491 -11.684 -11.848 1.00 0.00 C ATOM 999 CE1 TYR A 63 11.420 -13.860 -10.088 1.00 0.00 C ATOM 1000 CE2 TYR A 63 12.027 -11.560 -10.561 1.00 0.00 C ATOM 1001 CZ TYR A 63 11.990 -12.648 -9.681 1.00 0.00 C ATOM 1002 OH TYR A 63 12.523 -12.529 -8.413 1.00 0.00 O ATOM 0 H TYR A 63 8.515 -11.343 -12.118 1.00 0.00 H new ATOM 0 HA TYR A 63 8.579 -12.726 -14.749 1.00 0.00 H new ATOM 0 HB2 TYR A 63 10.552 -14.050 -14.017 1.00 0.00 H new ATOM 0 HB3 TYR A 63 10.910 -12.363 -14.327 1.00 0.00 H new ATOM 0 HD1 TYR A 63 10.452 -14.920 -11.693 1.00 0.00 H new ATOM 0 HD2 TYR A 63 11.515 -10.844 -12.526 1.00 0.00 H new ATOM 0 HE1 TYR A 63 11.390 -14.699 -9.408 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.469 -10.626 -10.247 1.00 0.00 H new ATOM 0 HH TYR A 63 12.836 -11.611 -8.274 1.00 0.00 H new ATOM 1012 N TRP A 64 7.071 -14.310 -13.612 1.00 0.00 N ATOM 1013 CA TRP A 64 6.207 -15.356 -13.004 1.00 0.00 C ATOM 1014 C TRP A 64 6.881 -16.710 -13.165 1.00 0.00 C ATOM 1015 O TRP A 64 7.351 -17.057 -14.230 1.00 0.00 O ATOM 1016 CB TRP A 64 4.862 -15.352 -13.725 1.00 0.00 C ATOM 1017 CG TRP A 64 3.824 -16.036 -12.903 1.00 0.00 C ATOM 1018 CD1 TRP A 64 3.460 -15.701 -11.641 1.00 0.00 C ATOM 1019 CD2 TRP A 64 2.997 -17.163 -13.282 1.00 0.00 C ATOM 1020 NE1 TRP A 64 2.460 -16.566 -11.230 1.00 0.00 N ATOM 1021 CE2 TRP A 64 2.140 -17.481 -12.208 1.00 0.00 C ATOM 1022 CE3 TRP A 64 2.916 -17.932 -14.449 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 1.225 -18.530 -12.291 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 1.997 -18.989 -14.540 1.00 0.00 C ATOM 1025 CH2 TRP A 64 1.153 -19.285 -13.462 1.00 0.00 C ATOM 0 H TRP A 64 6.809 -14.042 -14.561 1.00 0.00 H new ATOM 0 HA TRP A 64 6.053 -15.158 -11.943 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.555 -14.326 -13.928 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.958 -15.852 -14.689 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.879 -14.896 -11.055 1.00 0.00 H new ATOM 0 HE1 TRP A 64 2.014 -16.530 -10.313 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.564 -17.711 -15.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 0.578 -18.756 -11.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 1.940 -19.576 -15.445 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.446 -20.098 -13.537 1.00 0.00 H new ATOM 1036 N LEU A 65 6.959 -17.469 -12.111 1.00 0.00 N ATOM 1037 CA LEU A 65 7.636 -18.788 -12.199 1.00 0.00 C ATOM 1038 C LEU A 65 6.664 -19.920 -11.860 1.00 0.00 C ATOM 1039 O LEU A 65 6.850 -20.617 -10.887 1.00 0.00 O ATOM 1040 CB LEU A 65 8.800 -18.825 -11.196 1.00 0.00 C ATOM 1041 CG LEU A 65 10.044 -18.058 -11.700 1.00 0.00 C ATOM 1042 CD1 LEU A 65 11.107 -19.058 -12.152 1.00 0.00 C ATOM 1043 CD2 LEU A 65 9.710 -17.127 -12.871 1.00 0.00 C ATOM 0 H LEU A 65 6.583 -17.233 -11.193 1.00 0.00 H new ATOM 0 HA LEU A 65 8.000 -18.923 -13.217 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.472 -18.396 -10.249 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.072 -19.862 -10.999 1.00 0.00 H new ATOM 0 HG LEU A 65 10.411 -17.447 -10.875 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.985 -18.519 -12.508 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.387 -19.695 -11.313 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.708 -19.674 -12.958 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.613 -16.609 -13.193 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.313 -17.713 -13.700 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.966 -16.396 -12.554 1.00 0.00 H new ATOM 1055 N GLY A 66 5.648 -20.128 -12.659 1.00 0.00 N ATOM 1056 CA GLY A 66 4.695 -21.248 -12.374 1.00 0.00 C ATOM 1057 C GLY A 66 5.516 -22.517 -12.128 1.00 0.00 C ATOM 1058 O GLY A 66 5.857 -23.231 -13.056 1.00 0.00 O ATOM 0 H GLY A 66 5.437 -19.576 -13.491 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.083 -21.015 -11.503 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.014 -21.391 -13.213 1.00 0.00 H new ATOM 1062 N LYS A 67 5.856 -22.758 -10.881 1.00 0.00 N ATOM 1063 CA LYS A 67 6.706 -23.926 -10.488 1.00 0.00 C ATOM 1064 C LYS A 67 6.391 -25.172 -11.301 1.00 0.00 C ATOM 1065 O LYS A 67 5.598 -26.009 -10.918 1.00 0.00 O ATOM 1066 CB LYS A 67 6.492 -24.228 -9.003 1.00 0.00 C ATOM 1067 CG LYS A 67 7.531 -25.249 -8.534 1.00 0.00 C ATOM 1068 CD LYS A 67 7.972 -24.912 -7.109 1.00 0.00 C ATOM 1069 CE LYS A 67 8.828 -23.645 -7.123 1.00 0.00 C ATOM 1070 NZ LYS A 67 10.175 -23.947 -6.561 1.00 0.00 N ATOM 0 H LYS A 67 5.569 -22.173 -10.097 1.00 0.00 H new ATOM 0 HA LYS A 67 7.744 -23.658 -10.685 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.578 -23.312 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.486 -24.616 -8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.110 -26.254 -8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.391 -25.242 -9.203 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.099 -24.766 -6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.539 -25.742 -6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.923 -23.269 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.346 -22.861 -6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.757 -23.085 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.075 -24.286 -5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.635 -24.681 -7.137 1.00 0.00 H new ATOM 1084 N ASN A 68 7.042 -25.302 -12.414 1.00 0.00 N ATOM 1085 CA ASN A 68 6.842 -26.494 -13.276 1.00 0.00 C ATOM 1086 C ASN A 68 8.008 -26.590 -14.253 1.00 0.00 C ATOM 1087 O ASN A 68 8.558 -27.648 -14.488 1.00 0.00 O ATOM 1088 CB ASN A 68 5.542 -26.334 -14.038 1.00 0.00 C ATOM 1089 CG ASN A 68 4.443 -27.154 -13.360 1.00 0.00 C ATOM 1090 OD1 ASN A 68 3.736 -26.615 -12.405 1.00 0.00 O flip ATOM 1091 ND2 ASN A 68 4.225 -28.300 -13.703 1.00 0.00 N flip ATOM 0 H ASN A 68 7.715 -24.624 -12.771 1.00 0.00 H new ATOM 0 HA ASN A 68 6.797 -27.400 -12.672 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.256 -25.283 -14.072 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.671 -26.663 -15.069 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.777 -28.723 -14.449 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.490 -28.839 -13.244 1.00 0.00 H new ATOM 1098 N SER A 69 8.388 -25.480 -14.823 1.00 0.00 N ATOM 1099 CA SER A 69 9.517 -25.480 -15.791 1.00 0.00 C ATOM 1100 C SER A 69 10.785 -25.978 -15.095 1.00 0.00 C ATOM 1101 O SER A 69 10.830 -26.108 -13.887 1.00 0.00 O ATOM 1102 CB SER A 69 9.740 -24.058 -16.302 1.00 0.00 C ATOM 1103 OG SER A 69 10.523 -23.338 -15.358 1.00 0.00 O ATOM 0 H SER A 69 7.961 -24.568 -14.658 1.00 0.00 H new ATOM 0 HA SER A 69 9.283 -26.137 -16.628 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.244 -24.081 -17.268 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.783 -23.559 -16.454 1.00 0.00 H new ATOM 0 HG SER A 69 10.181 -22.423 -15.279 1.00 0.00 H new ATOM 1109 N SER A 70 11.815 -26.258 -15.843 1.00 0.00 N ATOM 1110 CA SER A 70 13.077 -26.746 -15.220 1.00 0.00 C ATOM 1111 C SER A 70 13.783 -25.583 -14.522 1.00 0.00 C ATOM 1112 O SER A 70 13.422 -24.434 -14.690 1.00 0.00 O ATOM 1113 CB SER A 70 13.991 -27.322 -16.302 1.00 0.00 C ATOM 1114 OG SER A 70 14.879 -26.309 -16.756 1.00 0.00 O ATOM 0 H SER A 70 11.838 -26.170 -16.859 1.00 0.00 H new ATOM 0 HA SER A 70 12.846 -27.522 -14.490 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.556 -28.166 -15.906 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.396 -27.699 -17.134 1.00 0.00 H new ATOM 0 HG SER A 70 14.621 -26.029 -17.659 1.00 0.00 H new ATOM 1120 N GLN A 71 14.786 -25.870 -13.738 1.00 0.00 N ATOM 1121 CA GLN A 71 15.513 -24.779 -13.028 1.00 0.00 C ATOM 1122 C GLN A 71 15.967 -23.724 -14.039 1.00 0.00 C ATOM 1123 O GLN A 71 15.727 -22.545 -13.871 1.00 0.00 O ATOM 1124 CB GLN A 71 16.735 -25.361 -12.315 1.00 0.00 C ATOM 1125 CG GLN A 71 17.198 -24.392 -11.224 1.00 0.00 C ATOM 1126 CD GLN A 71 18.725 -24.305 -11.234 1.00 0.00 C ATOM 1127 OE1 GLN A 71 19.286 -23.243 -11.048 1.00 0.00 O ATOM 1128 NE2 GLN A 71 19.428 -25.384 -11.446 1.00 0.00 N ATOM 0 H GLN A 71 15.133 -26.812 -13.558 1.00 0.00 H new ATOM 0 HA GLN A 71 14.850 -24.318 -12.296 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.488 -26.328 -11.877 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.540 -25.532 -13.030 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.766 -23.405 -11.392 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.849 -24.732 -10.249 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.959 -26.276 -11.602 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.447 -25.335 -11.455 1.00 0.00 H new ATOM 1137 N ASP A 72 16.625 -24.136 -15.089 1.00 0.00 N ATOM 1138 CA ASP A 72 17.094 -23.154 -16.104 1.00 0.00 C ATOM 1139 C ASP A 72 15.907 -22.330 -16.604 1.00 0.00 C ATOM 1140 O ASP A 72 16.017 -21.140 -16.815 1.00 0.00 O ATOM 1141 CB ASP A 72 17.738 -23.893 -17.278 1.00 0.00 C ATOM 1142 CG ASP A 72 16.751 -24.918 -17.841 1.00 0.00 C ATOM 1143 OD1 ASP A 72 15.742 -24.502 -18.387 1.00 0.00 O ATOM 1144 OD2 ASP A 72 17.022 -26.102 -17.718 1.00 0.00 O ATOM 0 H ASP A 72 16.857 -25.109 -15.286 1.00 0.00 H new ATOM 0 HA ASP A 72 17.830 -22.490 -15.651 1.00 0.00 H new ATOM 0 HB2 ASP A 72 18.024 -23.184 -18.055 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.650 -24.392 -16.951 1.00 0.00 H new ATOM 1149 N GLU A 73 14.771 -22.948 -16.790 1.00 0.00 N ATOM 1150 CA GLU A 73 13.588 -22.180 -17.267 1.00 0.00 C ATOM 1151 C GLU A 73 13.327 -21.033 -16.296 1.00 0.00 C ATOM 1152 O GLU A 73 12.997 -19.935 -16.693 1.00 0.00 O ATOM 1153 CB GLU A 73 12.365 -23.095 -17.327 1.00 0.00 C ATOM 1154 CG GLU A 73 12.190 -23.622 -18.753 1.00 0.00 C ATOM 1155 CD GLU A 73 13.257 -24.677 -19.044 1.00 0.00 C ATOM 1156 OE1 GLU A 73 13.286 -25.671 -18.338 1.00 0.00 O ATOM 1157 OE2 GLU A 73 14.027 -24.474 -19.968 1.00 0.00 O ATOM 0 H GLU A 73 14.613 -23.943 -16.633 1.00 0.00 H new ATOM 0 HA GLU A 73 13.780 -21.786 -18.265 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.486 -23.927 -16.633 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.474 -22.549 -17.018 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.196 -24.053 -18.873 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.270 -22.802 -19.467 1.00 0.00 H new ATOM 1164 N GLN A 74 13.495 -21.270 -15.024 1.00 0.00 N ATOM 1165 CA GLN A 74 13.282 -20.178 -14.041 1.00 0.00 C ATOM 1166 C GLN A 74 14.329 -19.098 -14.306 1.00 0.00 C ATOM 1167 O GLN A 74 14.083 -17.919 -14.145 1.00 0.00 O ATOM 1168 CB GLN A 74 13.447 -20.721 -12.619 1.00 0.00 C ATOM 1169 CG GLN A 74 12.441 -21.849 -12.384 1.00 0.00 C ATOM 1170 CD GLN A 74 12.286 -22.093 -10.882 1.00 0.00 C ATOM 1171 OE1 GLN A 74 12.226 -21.159 -10.107 1.00 0.00 O ATOM 1172 NE2 GLN A 74 12.219 -23.317 -10.437 1.00 0.00 N ATOM 0 H GLN A 74 13.769 -22.169 -14.627 1.00 0.00 H new ATOM 0 HA GLN A 74 12.277 -19.767 -14.141 1.00 0.00 H new ATOM 0 HB2 GLN A 74 14.463 -21.089 -12.474 1.00 0.00 H new ATOM 0 HB3 GLN A 74 13.291 -19.923 -11.893 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.478 -21.588 -12.822 1.00 0.00 H new ATOM 0 HG3 GLN A 74 12.779 -22.760 -12.878 1.00 0.00 H new ATOM 0 HE21 GLN A 74 12.269 -24.100 -11.089 1.00 0.00 H new ATOM 0 HE22 GLN A 74 12.116 -23.491 -9.437 1.00 0.00 H new ATOM 1181 N GLY A 75 15.500 -19.501 -14.730 1.00 0.00 N ATOM 1182 CA GLY A 75 16.569 -18.508 -15.026 1.00 0.00 C ATOM 1183 C GLY A 75 16.361 -17.953 -16.437 1.00 0.00 C ATOM 1184 O GLY A 75 16.982 -16.988 -16.832 1.00 0.00 O ATOM 0 H GLY A 75 15.759 -20.476 -14.883 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.543 -17.699 -14.296 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.550 -18.977 -14.947 1.00 0.00 H new ATOM 1188 N ALA A 76 15.489 -18.550 -17.202 1.00 0.00 N ATOM 1189 CA ALA A 76 15.248 -18.042 -18.580 1.00 0.00 C ATOM 1190 C ALA A 76 14.224 -16.909 -18.519 1.00 0.00 C ATOM 1191 O ALA A 76 14.386 -15.878 -19.139 1.00 0.00 O ATOM 1192 CB ALA A 76 14.712 -19.173 -19.460 1.00 0.00 C ATOM 0 H ALA A 76 14.936 -19.364 -16.933 1.00 0.00 H new ATOM 0 HA ALA A 76 16.182 -17.673 -19.005 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.537 -18.798 -20.468 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.441 -19.983 -19.496 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.776 -19.546 -19.044 1.00 0.00 H new ATOM 1198 N ALA A 77 13.173 -17.090 -17.765 1.00 0.00 N ATOM 1199 CA ALA A 77 12.146 -16.019 -17.656 1.00 0.00 C ATOM 1200 C ALA A 77 12.710 -14.871 -16.819 1.00 0.00 C ATOM 1201 O ALA A 77 12.590 -13.713 -17.170 1.00 0.00 O ATOM 1202 CB ALA A 77 10.894 -16.576 -16.975 1.00 0.00 C ATOM 0 H ALA A 77 12.983 -17.932 -17.222 1.00 0.00 H new ATOM 0 HA ALA A 77 11.885 -15.659 -18.651 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.143 -15.790 -16.896 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.495 -17.401 -17.565 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.151 -16.934 -15.978 1.00 0.00 H new ATOM 1208 N ALA A 78 13.333 -15.184 -15.715 1.00 0.00 N ATOM 1209 CA ALA A 78 13.911 -14.114 -14.858 1.00 0.00 C ATOM 1210 C ALA A 78 15.026 -13.401 -15.624 1.00 0.00 C ATOM 1211 O ALA A 78 15.173 -12.196 -15.549 1.00 0.00 O ATOM 1212 CB ALA A 78 14.483 -14.733 -13.581 1.00 0.00 C ATOM 0 H ALA A 78 13.466 -16.135 -15.371 1.00 0.00 H new ATOM 0 HA ALA A 78 13.133 -13.398 -14.594 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.906 -13.948 -12.954 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.689 -15.243 -13.037 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.262 -15.449 -13.841 1.00 0.00 H new ATOM 1218 N ILE A 79 15.812 -14.133 -16.365 1.00 0.00 N ATOM 1219 CA ILE A 79 16.912 -13.493 -17.135 1.00 0.00 C ATOM 1220 C ILE A 79 16.306 -12.578 -18.203 1.00 0.00 C ATOM 1221 O ILE A 79 16.776 -11.481 -18.428 1.00 0.00 O ATOM 1222 CB ILE A 79 17.779 -14.579 -17.793 1.00 0.00 C ATOM 1223 CG1 ILE A 79 18.783 -15.150 -16.775 1.00 0.00 C ATOM 1224 CG2 ILE A 79 18.560 -13.978 -18.967 1.00 0.00 C ATOM 1225 CD1 ILE A 79 18.185 -15.158 -15.362 1.00 0.00 C ATOM 0 H ILE A 79 15.739 -15.145 -16.470 1.00 0.00 H new ATOM 0 HA ILE A 79 17.539 -12.901 -16.468 1.00 0.00 H new ATOM 0 HB ILE A 79 17.125 -15.376 -18.147 1.00 0.00 H new ATOM 0 HG12 ILE A 79 19.061 -16.164 -17.062 1.00 0.00 H new ATOM 0 HG13 ILE A 79 19.696 -14.554 -16.785 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.173 -14.751 -19.430 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.861 -13.580 -19.703 1.00 0.00 H new ATOM 0 HG23 ILE A 79 19.202 -13.175 -18.604 1.00 0.00 H new ATOM 0 HD11 ILE A 79 18.913 -15.566 -14.661 1.00 0.00 H new ATOM 0 HD12 ILE A 79 17.930 -14.140 -15.069 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.286 -15.774 -15.351 1.00 0.00 H new ATOM 1237 N TYR A 80 15.260 -13.009 -18.858 1.00 0.00 N ATOM 1238 CA TYR A 80 14.639 -12.140 -19.894 1.00 0.00 C ATOM 1239 C TYR A 80 14.147 -10.859 -19.222 1.00 0.00 C ATOM 1240 O TYR A 80 14.106 -9.804 -19.823 1.00 0.00 O ATOM 1241 CB TYR A 80 13.466 -12.872 -20.545 1.00 0.00 C ATOM 1242 CG TYR A 80 13.979 -13.711 -21.692 1.00 0.00 C ATOM 1243 CD1 TYR A 80 14.668 -13.104 -22.749 1.00 0.00 C ATOM 1244 CD2 TYR A 80 13.771 -15.095 -21.695 1.00 0.00 C ATOM 1245 CE1 TYR A 80 15.148 -13.881 -23.810 1.00 0.00 C ATOM 1246 CE2 TYR A 80 14.251 -15.873 -22.756 1.00 0.00 C ATOM 1247 CZ TYR A 80 14.940 -15.266 -23.813 1.00 0.00 C ATOM 1248 OH TYR A 80 15.413 -16.033 -24.857 1.00 0.00 O ATOM 0 H TYR A 80 14.814 -13.916 -18.721 1.00 0.00 H new ATOM 0 HA TYR A 80 15.369 -11.896 -20.665 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.964 -13.504 -19.812 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.729 -12.154 -20.905 1.00 0.00 H new ATOM 0 HD1 TYR A 80 14.829 -12.036 -22.746 1.00 0.00 H new ATOM 0 HD2 TYR A 80 13.240 -15.563 -20.879 1.00 0.00 H new ATOM 0 HE1 TYR A 80 15.678 -13.413 -24.626 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.090 -16.941 -22.759 1.00 0.00 H new ATOM 0 HH TYR A 80 15.184 -16.973 -24.702 1.00 0.00 H new ATOM 1258 N THR A 81 13.786 -10.946 -17.971 1.00 0.00 N ATOM 1259 CA THR A 81 13.312 -9.737 -17.244 1.00 0.00 C ATOM 1260 C THR A 81 14.522 -8.863 -16.904 1.00 0.00 C ATOM 1261 O THR A 81 14.415 -7.665 -16.742 1.00 0.00 O ATOM 1262 CB THR A 81 12.600 -10.170 -15.956 1.00 0.00 C ATOM 1263 OG1 THR A 81 11.286 -10.609 -16.271 1.00 0.00 O ATOM 1264 CG2 THR A 81 12.525 -8.998 -14.973 1.00 0.00 C ATOM 0 H THR A 81 13.799 -11.805 -17.421 1.00 0.00 H new ATOM 0 HA THR A 81 12.616 -9.171 -17.863 1.00 0.00 H new ATOM 0 HB THR A 81 13.161 -10.983 -15.494 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.696 -10.454 -15.504 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.017 -9.318 -14.063 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.533 -8.664 -14.728 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.971 -8.177 -15.428 1.00 0.00 H new ATOM 1272 N THR A 82 15.674 -9.465 -16.800 1.00 0.00 N ATOM 1273 CA THR A 82 16.902 -8.689 -16.474 1.00 0.00 C ATOM 1274 C THR A 82 17.434 -8.028 -17.749 1.00 0.00 C ATOM 1275 O THR A 82 18.084 -7.002 -17.704 1.00 0.00 O ATOM 1276 CB THR A 82 17.959 -9.641 -15.900 1.00 0.00 C ATOM 1277 OG1 THR A 82 17.643 -9.931 -14.546 1.00 0.00 O ATOM 1278 CG2 THR A 82 19.344 -8.994 -15.973 1.00 0.00 C ATOM 0 H THR A 82 15.818 -10.467 -16.928 1.00 0.00 H new ATOM 0 HA THR A 82 16.672 -7.918 -15.739 1.00 0.00 H new ATOM 0 HB THR A 82 17.966 -10.562 -16.483 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.316 -10.541 -14.176 1.00 0.00 H new ATOM 0 HG21 THR A 82 20.087 -9.678 -15.563 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.588 -8.773 -17.012 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.345 -8.069 -15.396 1.00 0.00 H new ATOM 1286 N GLN A 83 17.163 -8.609 -18.885 1.00 0.00 N ATOM 1287 CA GLN A 83 17.653 -8.015 -20.160 1.00 0.00 C ATOM 1288 C GLN A 83 16.765 -6.833 -20.550 1.00 0.00 C ATOM 1289 O GLN A 83 17.231 -5.842 -21.075 1.00 0.00 O ATOM 1290 CB GLN A 83 17.609 -9.073 -21.264 1.00 0.00 C ATOM 1291 CG GLN A 83 18.426 -10.294 -20.836 1.00 0.00 C ATOM 1292 CD GLN A 83 19.634 -10.449 -21.761 1.00 0.00 C ATOM 1293 OE1 GLN A 83 20.754 -10.193 -21.366 1.00 0.00 O ATOM 1294 NE2 GLN A 83 19.453 -10.861 -22.987 1.00 0.00 N ATOM 0 H GLN A 83 16.624 -9.469 -18.985 1.00 0.00 H new ATOM 0 HA GLN A 83 18.678 -7.668 -20.028 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.577 -9.364 -21.462 1.00 0.00 H new ATOM 0 HB3 GLN A 83 18.008 -8.662 -22.192 1.00 0.00 H new ATOM 0 HG2 GLN A 83 18.757 -10.180 -19.804 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.807 -11.191 -20.875 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.513 -11.076 -23.319 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.252 -10.968 -23.612 1.00 0.00 H new ATOM 1303 N MET A 84 15.487 -6.928 -20.300 1.00 0.00 N ATOM 1304 CA MET A 84 14.577 -5.804 -20.662 1.00 0.00 C ATOM 1305 C MET A 84 14.624 -4.733 -19.569 1.00 0.00 C ATOM 1306 O MET A 84 14.079 -3.658 -19.718 1.00 0.00 O ATOM 1307 CB MET A 84 13.146 -6.327 -20.806 1.00 0.00 C ATOM 1308 CG MET A 84 12.675 -6.913 -19.474 1.00 0.00 C ATOM 1309 SD MET A 84 11.383 -8.144 -19.781 1.00 0.00 S ATOM 1310 CE MET A 84 10.506 -7.244 -21.082 1.00 0.00 C ATOM 0 H MET A 84 15.035 -7.731 -19.863 1.00 0.00 H new ATOM 0 HA MET A 84 14.899 -5.369 -21.608 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.482 -5.519 -21.114 1.00 0.00 H new ATOM 0 HB3 MET A 84 13.103 -7.088 -21.585 1.00 0.00 H new ATOM 0 HG2 MET A 84 13.513 -7.372 -18.950 1.00 0.00 H new ATOM 0 HG3 MET A 84 12.292 -6.121 -18.831 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.511 -7.670 -21.212 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.418 -6.194 -20.802 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.060 -7.325 -22.017 1.00 0.00 H new ATOM 1320 N ASP A 85 15.274 -5.016 -18.473 1.00 0.00 N ATOM 1321 CA ASP A 85 15.357 -4.010 -17.377 1.00 0.00 C ATOM 1322 C ASP A 85 16.359 -2.922 -17.762 1.00 0.00 C ATOM 1323 O ASP A 85 16.132 -1.749 -17.541 1.00 0.00 O ATOM 1324 CB ASP A 85 15.817 -4.694 -16.088 1.00 0.00 C ATOM 1325 CG ASP A 85 14.792 -4.439 -14.981 1.00 0.00 C ATOM 1326 OD1 ASP A 85 13.790 -5.134 -14.956 1.00 0.00 O ATOM 1327 OD2 ASP A 85 15.027 -3.551 -14.178 1.00 0.00 O ATOM 0 H ASP A 85 15.750 -5.899 -18.290 1.00 0.00 H new ATOM 0 HA ASP A 85 14.376 -3.563 -17.219 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.931 -5.765 -16.253 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.793 -4.312 -15.789 1.00 0.00 H new ATOM 1332 N GLU A 86 17.466 -3.301 -18.337 1.00 0.00 N ATOM 1333 CA GLU A 86 18.482 -2.288 -18.738 1.00 0.00 C ATOM 1334 C GLU A 86 18.197 -1.824 -20.168 1.00 0.00 C ATOM 1335 O GLU A 86 18.495 -0.706 -20.539 1.00 0.00 O ATOM 1336 CB GLU A 86 19.878 -2.913 -18.672 1.00 0.00 C ATOM 1337 CG GLU A 86 20.075 -3.576 -17.308 1.00 0.00 C ATOM 1338 CD GLU A 86 21.199 -2.866 -16.552 1.00 0.00 C ATOM 1339 OE1 GLU A 86 21.102 -1.662 -16.379 1.00 0.00 O ATOM 1340 OE2 GLU A 86 22.139 -3.537 -16.159 1.00 0.00 O ATOM 0 H GLU A 86 17.711 -4.269 -18.547 1.00 0.00 H new ATOM 0 HA GLU A 86 18.435 -1.435 -18.062 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.997 -3.649 -19.467 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.638 -2.148 -18.830 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.150 -3.530 -16.733 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.319 -4.631 -17.436 1.00 0.00 H new ATOM 1347 N TYR A 87 17.621 -2.674 -20.973 1.00 0.00 N ATOM 1348 CA TYR A 87 17.316 -2.282 -22.378 1.00 0.00 C ATOM 1349 C TYR A 87 16.186 -1.252 -22.388 1.00 0.00 C ATOM 1350 O TYR A 87 16.131 -0.385 -23.238 1.00 0.00 O ATOM 1351 CB TYR A 87 16.885 -3.518 -23.170 1.00 0.00 C ATOM 1352 CG TYR A 87 17.920 -3.825 -24.225 1.00 0.00 C ATOM 1353 CD1 TYR A 87 17.878 -3.167 -25.459 1.00 0.00 C ATOM 1354 CD2 TYR A 87 18.921 -4.769 -23.968 1.00 0.00 C ATOM 1355 CE1 TYR A 87 18.838 -3.452 -26.437 1.00 0.00 C ATOM 1356 CE2 TYR A 87 19.881 -5.054 -24.945 1.00 0.00 C ATOM 1357 CZ TYR A 87 19.839 -4.395 -26.180 1.00 0.00 C ATOM 1358 OH TYR A 87 20.787 -4.676 -27.144 1.00 0.00 O ATOM 0 H TYR A 87 17.348 -3.623 -20.718 1.00 0.00 H new ATOM 0 HA TYR A 87 18.206 -1.849 -22.835 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.769 -4.370 -22.500 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.915 -3.345 -23.636 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.105 -2.439 -25.657 1.00 0.00 H new ATOM 0 HD2 TYR A 87 18.952 -5.277 -23.016 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.806 -2.944 -27.390 1.00 0.00 H new ATOM 0 HE2 TYR A 87 20.654 -5.782 -24.747 1.00 0.00 H new ATOM 0 HH TYR A 87 21.409 -5.352 -26.804 1.00 0.00 H new ATOM 1368 N LEU A 88 15.280 -1.340 -21.452 1.00 0.00 N ATOM 1369 CA LEU A 88 14.153 -0.366 -21.414 1.00 0.00 C ATOM 1370 C LEU A 88 14.693 1.032 -21.106 1.00 0.00 C ATOM 1371 O LEU A 88 14.070 2.029 -21.412 1.00 0.00 O ATOM 1372 CB LEU A 88 13.158 -0.781 -20.329 1.00 0.00 C ATOM 1373 CG LEU A 88 12.169 -1.794 -20.908 1.00 0.00 C ATOM 1374 CD1 LEU A 88 11.428 -2.497 -19.769 1.00 0.00 C ATOM 1375 CD2 LEU A 88 11.161 -1.068 -21.801 1.00 0.00 C ATOM 0 H LEU A 88 15.272 -2.043 -20.713 1.00 0.00 H new ATOM 0 HA LEU A 88 13.651 -0.354 -22.382 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.688 -1.217 -19.482 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.624 0.093 -19.956 1.00 0.00 H new ATOM 0 HG LEU A 88 12.711 -2.534 -21.497 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.724 -3.218 -20.184 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.146 -3.015 -19.133 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.886 -1.759 -19.178 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.456 -1.789 -22.214 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.620 -0.328 -21.212 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.688 -0.569 -22.614 1.00 0.00 H new ATOM 1387 N GLY A 89 15.849 1.116 -20.505 1.00 0.00 N ATOM 1388 CA GLY A 89 16.424 2.453 -20.183 1.00 0.00 C ATOM 1389 C GLY A 89 16.650 2.566 -18.674 1.00 0.00 C ATOM 1390 O GLY A 89 16.859 3.640 -18.147 1.00 0.00 O ATOM 0 H GLY A 89 16.419 0.318 -20.224 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.366 2.592 -20.713 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.750 3.240 -20.520 1.00 0.00 H new ATOM 1394 N SER A 90 16.609 1.466 -17.973 1.00 0.00 N ATOM 1395 CA SER A 90 16.822 1.513 -16.499 1.00 0.00 C ATOM 1396 C SER A 90 15.598 2.138 -15.823 1.00 0.00 C ATOM 1397 O SER A 90 15.579 2.344 -14.625 1.00 0.00 O ATOM 1398 CB SER A 90 18.059 2.357 -16.191 1.00 0.00 C ATOM 1399 OG SER A 90 18.503 2.076 -14.870 1.00 0.00 O ATOM 0 H SER A 90 16.437 0.537 -18.357 1.00 0.00 H new ATOM 0 HA SER A 90 16.967 0.501 -16.121 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.851 2.137 -16.907 1.00 0.00 H new ATOM 0 HB3 SER A 90 17.824 3.417 -16.290 1.00 0.00 H new ATOM 0 HG SER A 90 17.733 2.052 -14.264 1.00 0.00 H new ATOM 1405 N VAL A 91 14.578 2.442 -16.578 1.00 0.00 N ATOM 1406 CA VAL A 91 13.359 3.052 -15.974 1.00 0.00 C ATOM 1407 C VAL A 91 12.418 1.944 -15.501 1.00 0.00 C ATOM 1408 O VAL A 91 11.548 2.163 -14.681 1.00 0.00 O ATOM 1409 CB VAL A 91 12.648 3.912 -17.020 1.00 0.00 C ATOM 1410 CG1 VAL A 91 13.623 4.947 -17.581 1.00 0.00 C ATOM 1411 CG2 VAL A 91 12.145 3.018 -18.156 1.00 0.00 C ATOM 0 H VAL A 91 14.536 2.295 -17.586 1.00 0.00 H new ATOM 0 HA VAL A 91 13.645 3.674 -15.126 1.00 0.00 H new ATOM 0 HB VAL A 91 11.804 4.423 -16.557 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.115 5.559 -18.326 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.983 5.584 -16.773 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.468 4.437 -18.045 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.638 3.629 -18.903 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.990 2.507 -18.618 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.449 2.280 -17.757 1.00 0.00 H new ATOM 1421 N ALA A 92 12.581 0.756 -16.013 1.00 0.00 N ATOM 1422 CA ALA A 92 11.694 -0.364 -15.595 1.00 0.00 C ATOM 1423 C ALA A 92 12.126 -0.875 -14.220 1.00 0.00 C ATOM 1424 O ALA A 92 13.164 -0.510 -13.706 1.00 0.00 O ATOM 1425 CB ALA A 92 11.796 -1.502 -16.614 1.00 0.00 C ATOM 0 H ALA A 92 13.291 0.513 -16.704 1.00 0.00 H new ATOM 0 HA ALA A 92 10.664 -0.010 -15.544 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.147 -2.323 -16.309 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.487 -1.141 -17.595 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.826 -1.854 -16.665 1.00 0.00 H new ATOM 1431 N VAL A 93 11.334 -1.721 -13.622 1.00 0.00 N ATOM 1432 CA VAL A 93 11.688 -2.264 -12.281 1.00 0.00 C ATOM 1433 C VAL A 93 11.755 -3.790 -12.361 1.00 0.00 C ATOM 1434 O VAL A 93 11.575 -4.371 -13.410 1.00 0.00 O ATOM 1435 CB VAL A 93 10.611 -1.856 -11.273 1.00 0.00 C ATOM 1436 CG1 VAL A 93 11.159 -1.988 -9.853 1.00 0.00 C ATOM 1437 CG2 VAL A 93 10.198 -0.404 -11.526 1.00 0.00 C ATOM 0 H VAL A 93 10.453 -2.061 -14.007 1.00 0.00 H new ATOM 0 HA VAL A 93 12.654 -1.870 -11.965 1.00 0.00 H new ATOM 0 HB VAL A 93 9.745 -2.507 -11.388 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.390 -1.697 -9.138 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.451 -3.022 -9.671 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.027 -1.339 -9.736 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.431 -0.114 -10.808 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.066 0.246 -11.413 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.803 -0.309 -12.537 1.00 0.00 H new ATOM 1447 N GLN A 94 12.002 -4.447 -11.264 1.00 0.00 N ATOM 1448 CA GLN A 94 12.060 -5.931 -11.293 1.00 0.00 C ATOM 1449 C GLN A 94 11.141 -6.483 -10.203 1.00 0.00 C ATOM 1450 O GLN A 94 11.066 -5.949 -9.114 1.00 0.00 O ATOM 1451 CB GLN A 94 13.495 -6.399 -11.042 1.00 0.00 C ATOM 1452 CG GLN A 94 14.446 -5.666 -11.991 1.00 0.00 C ATOM 1453 CD GLN A 94 15.875 -6.164 -11.770 1.00 0.00 C ATOM 1454 OE1 GLN A 94 16.238 -6.562 -10.581 1.00 0.00 O flip ATOM 1455 NE2 GLN A 94 16.671 -6.190 -12.688 1.00 0.00 N flip ATOM 0 H GLN A 94 12.166 -4.021 -10.352 1.00 0.00 H new ATOM 0 HA GLN A 94 11.736 -6.293 -12.269 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.776 -6.205 -10.007 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.570 -7.476 -11.196 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.147 -5.836 -13.025 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.393 -4.591 -11.817 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.388 -5.879 -13.617 1.00 0.00 H new ATOM 0 HE22 GLN A 94 17.622 -6.523 -12.529 1.00 0.00 H new ATOM 1464 N HIS A 95 10.430 -7.541 -10.484 1.00 0.00 N ATOM 1465 CA HIS A 95 9.510 -8.108 -9.458 1.00 0.00 C ATOM 1466 C HIS A 95 9.541 -9.636 -9.526 1.00 0.00 C ATOM 1467 O HIS A 95 9.792 -10.217 -10.565 1.00 0.00 O ATOM 1468 CB HIS A 95 8.093 -7.602 -9.726 1.00 0.00 C ATOM 1469 CG HIS A 95 8.163 -6.178 -10.208 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.417 -5.651 -11.446 1.00 0.00 N flip ATOM 1471 CD2 HIS A 95 7.976 -5.091 -9.367 1.00 0.00 C flip ATOM 1472 CE1 HIS A 95 8.392 -4.263 -11.384 1.00 0.00 C flip ATOM 1473 NE2 HIS A 95 8.122 -3.975 -10.110 1.00 0.00 N flip ATOM 0 H HIS A 95 10.446 -8.035 -11.376 1.00 0.00 H new ATOM 0 HA HIS A 95 9.827 -7.794 -8.464 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.605 -8.228 -10.473 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.494 -7.663 -8.818 1.00 0.00 H new ATOM 0 HD2 HIS A 95 7.754 -5.131 -8.311 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.556 -3.567 -12.193 1.00 0.00 H new ATOM 0 HE2 HIS A 95 8.036 -3.027 -9.743 1.00 0.00 H new ATOM 1481 N ARG A 96 9.300 -10.291 -8.423 1.00 0.00 N ATOM 1482 CA ARG A 96 9.331 -11.780 -8.418 1.00 0.00 C ATOM 1483 C ARG A 96 7.916 -12.342 -8.250 1.00 0.00 C ATOM 1484 O ARG A 96 7.118 -11.828 -7.491 1.00 0.00 O ATOM 1485 CB ARG A 96 10.216 -12.258 -7.259 1.00 0.00 C ATOM 1486 CG ARG A 96 9.446 -12.160 -5.938 1.00 0.00 C ATOM 1487 CD ARG A 96 10.307 -12.714 -4.802 1.00 0.00 C ATOM 1488 NE ARG A 96 9.827 -14.076 -4.434 1.00 0.00 N ATOM 1489 CZ ARG A 96 10.668 -14.961 -3.971 1.00 0.00 C ATOM 1490 NH1 ARG A 96 11.802 -14.575 -3.452 1.00 0.00 N ATOM 1491 NH2 ARG A 96 10.375 -16.231 -4.026 1.00 0.00 N ATOM 0 H ARG A 96 9.083 -9.858 -7.525 1.00 0.00 H new ATOM 0 HA ARG A 96 9.736 -12.134 -9.366 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.530 -13.287 -7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.121 -11.653 -7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.182 -11.122 -5.735 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.513 -12.719 -6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.352 -12.756 -5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.256 -12.053 -3.937 1.00 0.00 H new ATOM 0 HE ARG A 96 8.842 -14.317 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.031 -13.582 -3.408 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.459 -15.266 -3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.489 -16.533 -4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.032 -16.922 -3.664 1.00 0.00 H new ATOM 1505 N GLU A 97 7.608 -13.404 -8.944 1.00 0.00 N ATOM 1506 CA GLU A 97 6.256 -14.014 -8.817 1.00 0.00 C ATOM 1507 C GLU A 97 6.366 -15.526 -9.030 1.00 0.00 C ATOM 1508 O GLU A 97 7.358 -16.023 -9.525 1.00 0.00 O ATOM 1509 CB GLU A 97 5.311 -13.416 -9.859 1.00 0.00 C ATOM 1510 CG GLU A 97 5.371 -11.888 -9.789 1.00 0.00 C ATOM 1511 CD GLU A 97 4.770 -11.412 -8.465 1.00 0.00 C ATOM 1512 OE1 GLU A 97 4.149 -12.221 -7.795 1.00 0.00 O ATOM 1513 OE2 GLU A 97 4.941 -10.247 -8.145 1.00 0.00 O ATOM 0 H GLU A 97 8.237 -13.875 -9.594 1.00 0.00 H new ATOM 0 HA GLU A 97 5.859 -13.809 -7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.591 -13.756 -10.856 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.292 -13.759 -9.680 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.404 -11.550 -9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.824 -11.454 -10.626 1.00 0.00 H new ATOM 1520 N VAL A 98 5.363 -16.262 -8.641 1.00 0.00 N ATOM 1521 CA VAL A 98 5.411 -17.743 -8.797 1.00 0.00 C ATOM 1522 C VAL A 98 3.980 -18.287 -8.861 1.00 0.00 C ATOM 1523 O VAL A 98 3.029 -17.536 -8.867 1.00 0.00 O ATOM 1524 CB VAL A 98 6.130 -18.330 -7.580 1.00 0.00 C ATOM 1525 CG1 VAL A 98 6.631 -19.735 -7.898 1.00 0.00 C ATOM 1526 CG2 VAL A 98 7.322 -17.443 -7.216 1.00 0.00 C ATOM 0 H VAL A 98 4.508 -15.900 -8.220 1.00 0.00 H new ATOM 0 HA VAL A 98 5.940 -18.015 -9.711 1.00 0.00 H new ATOM 0 HB VAL A 98 5.433 -18.376 -6.743 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.141 -20.145 -7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.786 -20.373 -8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.324 -19.693 -8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.835 -17.860 -6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.012 -17.397 -8.059 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.970 -16.439 -6.980 1.00 0.00 H new ATOM 1536 N GLN A 99 3.813 -19.584 -8.901 1.00 0.00 N ATOM 1537 CA GLN A 99 2.433 -20.153 -8.960 1.00 0.00 C ATOM 1538 C GLN A 99 1.713 -19.931 -7.629 1.00 0.00 C ATOM 1539 O GLN A 99 0.557 -20.269 -7.468 1.00 0.00 O ATOM 1540 CB GLN A 99 2.505 -21.651 -9.266 1.00 0.00 C ATOM 1541 CG GLN A 99 1.125 -22.280 -9.067 1.00 0.00 C ATOM 1542 CD GLN A 99 1.140 -23.718 -9.588 1.00 0.00 C ATOM 1543 OE1 GLN A 99 1.564 -23.970 -10.700 1.00 0.00 O ATOM 1544 NE2 GLN A 99 0.690 -24.680 -8.829 1.00 0.00 N ATOM 0 H GLN A 99 4.568 -20.270 -8.895 1.00 0.00 H new ATOM 0 HA GLN A 99 1.876 -19.649 -9.750 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.843 -21.808 -10.290 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.233 -22.132 -8.613 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.857 -22.267 -8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.369 -21.699 -9.595 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.334 -24.470 -7.896 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.694 -25.642 -9.168 1.00 0.00 H new ATOM 1553 N GLY A 100 2.387 -19.351 -6.687 1.00 0.00 N ATOM 1554 CA GLY A 100 1.765 -19.075 -5.363 1.00 0.00 C ATOM 1555 C GLY A 100 2.314 -17.749 -4.836 1.00 0.00 C ATOM 1556 O GLY A 100 2.206 -17.436 -3.666 1.00 0.00 O ATOM 0 H GLY A 100 3.358 -19.050 -6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.680 -19.025 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.988 -19.882 -4.664 1.00 0.00 H new ATOM 1560 N HIS A 101 2.913 -16.971 -5.698 1.00 0.00 N ATOM 1561 CA HIS A 101 3.486 -15.665 -5.269 1.00 0.00 C ATOM 1562 C HIS A 101 2.859 -14.534 -6.091 1.00 0.00 C ATOM 1563 O HIS A 101 2.944 -13.375 -5.736 1.00 0.00 O ATOM 1564 CB HIS A 101 4.998 -15.690 -5.503 1.00 0.00 C ATOM 1565 CG HIS A 101 5.655 -16.543 -4.453 1.00 0.00 C ATOM 1566 ND1 HIS A 101 5.690 -17.903 -4.266 1.00 0.00 N flip ATOM 1567 CD2 HIS A 101 6.398 -15.999 -3.417 1.00 0.00 C flip ATOM 1568 CE1 HIS A 101 6.441 -18.201 -3.132 1.00 0.00 C flip ATOM 1569 NE2 HIS A 101 6.844 -17.018 -2.659 1.00 0.00 N flip ATOM 0 H HIS A 101 3.030 -17.187 -6.688 1.00 0.00 H new ATOM 0 HA HIS A 101 3.276 -15.497 -4.213 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.216 -16.084 -6.496 1.00 0.00 H new ATOM 0 HB3 HIS A 101 5.399 -14.677 -5.467 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.585 -14.949 -3.249 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.652 -19.178 -2.723 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.420 -16.901 -1.825 1.00 0.00 H new ATOM 1577 N GLU A 102 2.234 -14.862 -7.190 1.00 0.00 N ATOM 1578 CA GLU A 102 1.605 -13.810 -8.040 1.00 0.00 C ATOM 1579 C GLU A 102 0.151 -13.590 -7.587 1.00 0.00 C ATOM 1580 O GLU A 102 -0.692 -13.160 -8.346 1.00 0.00 O ATOM 1581 CB GLU A 102 1.668 -14.265 -9.512 1.00 0.00 C ATOM 1582 CG GLU A 102 0.388 -15.014 -9.921 1.00 0.00 C ATOM 1583 CD GLU A 102 0.036 -16.062 -8.862 1.00 0.00 C ATOM 1584 OE1 GLU A 102 0.744 -17.053 -8.778 1.00 0.00 O ATOM 1585 OE2 GLU A 102 -0.935 -15.857 -8.153 1.00 0.00 O ATOM 0 H GLU A 102 2.132 -15.816 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 102 2.137 -12.864 -7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.806 -13.398 -10.157 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.533 -14.912 -9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.435 -14.309 -10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.532 -15.496 -10.888 1.00 0.00 H new ATOM 1592 N SER A 103 -0.141 -13.908 -6.356 1.00 0.00 N ATOM 1593 CA SER A 103 -1.534 -13.756 -5.836 1.00 0.00 C ATOM 1594 C SER A 103 -2.112 -12.369 -6.171 1.00 0.00 C ATOM 1595 O SER A 103 -2.467 -12.093 -7.301 1.00 0.00 O ATOM 1596 CB SER A 103 -1.527 -13.969 -4.321 1.00 0.00 C ATOM 1597 OG SER A 103 -0.383 -13.337 -3.764 1.00 0.00 O ATOM 0 H SER A 103 0.531 -14.270 -5.680 1.00 0.00 H new ATOM 0 HA SER A 103 -2.168 -14.502 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.435 -13.558 -3.880 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.516 -15.035 -4.092 1.00 0.00 H new ATOM 0 HG SER A 103 -0.376 -13.470 -2.793 1.00 0.00 H new ATOM 1603 N GLU A 104 -2.243 -11.505 -5.194 1.00 0.00 N ATOM 1604 CA GLU A 104 -2.833 -10.159 -5.457 1.00 0.00 C ATOM 1605 C GLU A 104 -1.912 -9.324 -6.346 1.00 0.00 C ATOM 1606 O GLU A 104 -2.327 -8.338 -6.921 1.00 0.00 O ATOM 1607 CB GLU A 104 -3.044 -9.432 -4.128 1.00 0.00 C ATOM 1608 CG GLU A 104 -4.352 -9.902 -3.492 1.00 0.00 C ATOM 1609 CD GLU A 104 -4.828 -8.864 -2.474 1.00 0.00 C ATOM 1610 OE1 GLU A 104 -3.991 -8.341 -1.756 1.00 0.00 O ATOM 1611 OE2 GLU A 104 -6.020 -8.611 -2.428 1.00 0.00 O ATOM 0 H GLU A 104 -1.967 -11.675 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.785 -10.292 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.209 -9.630 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.073 -8.355 -4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.111 -10.047 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.205 -10.865 -3.003 1.00 0.00 H new ATOM 1618 N THR A 105 -0.669 -9.692 -6.461 1.00 0.00 N ATOM 1619 CA THR A 105 0.255 -8.894 -7.313 1.00 0.00 C ATOM 1620 C THR A 105 -0.082 -9.114 -8.787 1.00 0.00 C ATOM 1621 O THR A 105 -0.324 -8.178 -9.526 1.00 0.00 O ATOM 1622 CB THR A 105 1.700 -9.325 -7.047 1.00 0.00 C ATOM 1623 OG1 THR A 105 1.890 -9.500 -5.650 1.00 0.00 O ATOM 1624 CG2 THR A 105 2.657 -8.249 -7.564 1.00 0.00 C ATOM 0 H THR A 105 -0.254 -10.505 -6.006 1.00 0.00 H new ATOM 0 HA THR A 105 0.142 -7.837 -7.073 1.00 0.00 H new ATOM 0 HB THR A 105 1.901 -10.265 -7.561 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.814 -9.778 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.686 -8.556 -7.375 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.510 -8.115 -8.636 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.458 -7.308 -7.050 1.00 0.00 H new ATOM 1632 N PHE A 106 -0.104 -10.338 -9.229 1.00 0.00 N ATOM 1633 CA PHE A 106 -0.430 -10.589 -10.655 1.00 0.00 C ATOM 1634 C PHE A 106 -1.862 -10.120 -10.894 1.00 0.00 C ATOM 1635 O PHE A 106 -2.120 -9.268 -11.716 1.00 0.00 O ATOM 1636 CB PHE A 106 -0.324 -12.084 -10.952 1.00 0.00 C ATOM 1637 CG PHE A 106 0.411 -12.289 -12.258 1.00 0.00 C ATOM 1638 CD1 PHE A 106 1.575 -11.554 -12.524 1.00 0.00 C ATOM 1639 CD2 PHE A 106 -0.056 -13.218 -13.197 1.00 0.00 C ATOM 1640 CE1 PHE A 106 2.271 -11.749 -13.723 1.00 0.00 C ATOM 1641 CE2 PHE A 106 0.639 -13.411 -14.399 1.00 0.00 C ATOM 1642 CZ PHE A 106 1.804 -12.676 -14.662 1.00 0.00 C ATOM 0 H PHE A 106 0.088 -11.169 -8.669 1.00 0.00 H new ATOM 0 HA PHE A 106 0.262 -10.054 -11.305 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.203 -12.590 -10.143 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.319 -12.525 -11.009 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.935 -10.836 -11.802 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -0.952 -13.786 -12.995 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.169 -11.184 -13.924 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.277 -14.126 -15.123 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.340 -12.825 -15.588 1.00 0.00 H new ATOM 1652 N ARG A 107 -2.797 -10.655 -10.158 1.00 0.00 N ATOM 1653 CA ARG A 107 -4.210 -10.225 -10.327 1.00 0.00 C ATOM 1654 C ARG A 107 -4.280 -8.702 -10.204 1.00 0.00 C ATOM 1655 O ARG A 107 -5.114 -8.057 -10.807 1.00 0.00 O ATOM 1656 CB ARG A 107 -5.076 -10.868 -9.241 1.00 0.00 C ATOM 1657 CG ARG A 107 -6.538 -10.877 -9.693 1.00 0.00 C ATOM 1658 CD ARG A 107 -7.068 -12.312 -9.675 1.00 0.00 C ATOM 1659 NE ARG A 107 -7.720 -12.584 -8.363 1.00 0.00 N ATOM 1660 CZ ARG A 107 -8.762 -11.888 -7.996 1.00 0.00 C ATOM 1661 NH1 ARG A 107 -9.443 -11.217 -8.882 1.00 0.00 N ATOM 1662 NH2 ARG A 107 -9.120 -11.865 -6.741 1.00 0.00 N ATOM 0 H ARG A 107 -2.642 -11.371 -9.448 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.577 -10.535 -11.305 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.738 -11.886 -9.047 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.976 -10.315 -8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.137 -10.248 -9.035 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.622 -10.459 -10.696 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.782 -12.457 -10.485 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.251 -13.015 -9.840 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.353 -13.313 -7.752 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.162 -11.236 -9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.257 -10.673 -8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.586 -12.390 -6.049 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.934 -11.322 -6.453 1.00 0.00 H new ATOM 1676 N ALA A 108 -3.398 -8.122 -9.432 1.00 0.00 N ATOM 1677 CA ALA A 108 -3.408 -6.641 -9.281 1.00 0.00 C ATOM 1678 C ALA A 108 -3.241 -6.004 -10.660 1.00 0.00 C ATOM 1679 O ALA A 108 -3.938 -5.074 -11.017 1.00 0.00 O ATOM 1680 CB ALA A 108 -2.257 -6.204 -8.371 1.00 0.00 C ATOM 0 H ALA A 108 -2.675 -8.609 -8.903 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.351 -6.323 -8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.269 -5.119 -8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.372 -6.667 -7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.309 -6.515 -8.809 1.00 0.00 H new ATOM 1686 N TYR A 109 -2.324 -6.506 -11.442 1.00 0.00 N ATOM 1687 CA TYR A 109 -2.113 -5.940 -12.805 1.00 0.00 C ATOM 1688 C TYR A 109 -3.223 -6.431 -13.737 1.00 0.00 C ATOM 1689 O TYR A 109 -3.411 -5.914 -14.821 1.00 0.00 O ATOM 1690 CB TYR A 109 -0.756 -6.398 -13.341 1.00 0.00 C ATOM 1691 CG TYR A 109 0.340 -5.906 -12.425 1.00 0.00 C ATOM 1692 CD1 TYR A 109 0.430 -4.547 -12.108 1.00 0.00 C ATOM 1693 CD2 TYR A 109 1.265 -6.813 -11.893 1.00 0.00 C ATOM 1694 CE1 TYR A 109 1.445 -4.092 -11.258 1.00 0.00 C ATOM 1695 CE2 TYR A 109 2.279 -6.358 -11.043 1.00 0.00 C ATOM 1696 CZ TYR A 109 2.371 -4.998 -10.725 1.00 0.00 C ATOM 1697 OH TYR A 109 3.371 -4.550 -9.887 1.00 0.00 O ATOM 0 H TYR A 109 -1.712 -7.284 -11.196 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.135 -4.851 -12.756 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.728 -7.486 -13.408 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.602 -6.013 -14.349 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -0.284 -3.848 -12.519 1.00 0.00 H new ATOM 0 HD2 TYR A 109 1.196 -7.862 -12.139 1.00 0.00 H new ATOM 0 HE1 TYR A 109 1.514 -3.042 -11.013 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.992 -7.057 -10.632 1.00 0.00 H new ATOM 0 HH TYR A 109 4.148 -5.143 -9.958 1.00 0.00 H new ATOM 1707 N PHE A 110 -3.959 -7.429 -13.326 1.00 0.00 N ATOM 1708 CA PHE A 110 -5.054 -7.955 -14.190 1.00 0.00 C ATOM 1709 C PHE A 110 -6.398 -7.751 -13.488 1.00 0.00 C ATOM 1710 O PHE A 110 -6.798 -8.540 -12.654 1.00 0.00 O ATOM 1711 CB PHE A 110 -4.846 -9.452 -14.436 1.00 0.00 C ATOM 1712 CG PHE A 110 -3.553 -9.688 -15.184 1.00 0.00 C ATOM 1713 CD1 PHE A 110 -2.335 -9.275 -14.632 1.00 0.00 C ATOM 1714 CD2 PHE A 110 -3.572 -10.336 -16.425 1.00 0.00 C ATOM 1715 CE1 PHE A 110 -1.141 -9.506 -15.318 1.00 0.00 C ATOM 1716 CE2 PHE A 110 -2.375 -10.570 -17.111 1.00 0.00 C ATOM 1717 CZ PHE A 110 -1.158 -10.154 -16.556 1.00 0.00 C ATOM 0 H PHE A 110 -3.849 -7.902 -12.429 1.00 0.00 H new ATOM 0 HA PHE A 110 -5.045 -7.423 -15.141 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.826 -9.984 -13.485 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -5.683 -9.853 -15.008 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -2.319 -8.777 -13.674 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.511 -10.655 -16.853 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.203 -9.183 -14.891 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -2.389 -11.071 -18.068 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.233 -10.334 -17.084 1.00 0.00 H new ATOM 1727 N LYS A 111 -7.099 -6.702 -13.814 1.00 0.00 N ATOM 1728 CA LYS A 111 -8.415 -6.456 -13.162 1.00 0.00 C ATOM 1729 C LYS A 111 -9.499 -7.259 -13.885 1.00 0.00 C ATOM 1730 O LYS A 111 -10.313 -6.715 -14.604 1.00 0.00 O ATOM 1731 CB LYS A 111 -8.751 -4.965 -13.235 1.00 0.00 C ATOM 1732 CG LYS A 111 -10.141 -4.725 -12.644 1.00 0.00 C ATOM 1733 CD LYS A 111 -10.351 -3.225 -12.422 1.00 0.00 C ATOM 1734 CE LYS A 111 -10.328 -2.501 -13.769 1.00 0.00 C ATOM 1735 NZ LYS A 111 -11.265 -1.343 -13.725 1.00 0.00 N ATOM 0 H LYS A 111 -6.818 -6.005 -14.503 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.367 -6.766 -12.118 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.007 -4.387 -12.688 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -8.721 -4.625 -14.270 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.906 -5.114 -13.316 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.244 -5.261 -11.700 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.303 -3.051 -11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.570 -2.830 -11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.318 -2.157 -13.992 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.616 -3.185 -14.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.250 -0.850 -14.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.228 -1.683 -13.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.971 -0.687 -12.973 1.00 0.00 H new ATOM 1749 N GLN A 112 -9.518 -8.552 -13.701 1.00 0.00 N ATOM 1750 CA GLN A 112 -10.549 -9.385 -14.381 1.00 0.00 C ATOM 1751 C GLN A 112 -10.497 -10.817 -13.842 1.00 0.00 C ATOM 1752 O GLN A 112 -11.284 -11.203 -13.002 1.00 0.00 O ATOM 1753 CB GLN A 112 -10.279 -9.399 -15.887 1.00 0.00 C ATOM 1754 CG GLN A 112 -11.227 -8.422 -16.585 1.00 0.00 C ATOM 1755 CD GLN A 112 -11.451 -8.870 -18.030 1.00 0.00 C ATOM 1756 OE1 GLN A 112 -10.511 -9.006 -18.788 1.00 0.00 O ATOM 1757 NE2 GLN A 112 -12.664 -9.108 -18.445 1.00 0.00 N ATOM 0 H GLN A 112 -8.865 -9.066 -13.110 1.00 0.00 H new ATOM 0 HA GLN A 112 -11.536 -8.964 -14.189 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.244 -9.121 -16.084 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.420 -10.405 -16.283 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.178 -8.381 -16.055 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.808 -7.416 -16.566 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.453 -8.994 -17.808 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -12.824 -9.409 -19.406 1.00 0.00 H new ATOM 1766 N GLY A 113 -9.575 -11.608 -14.321 1.00 0.00 N ATOM 1767 CA GLY A 113 -9.472 -13.014 -13.839 1.00 0.00 C ATOM 1768 C GLY A 113 -8.317 -13.712 -14.560 1.00 0.00 C ATOM 1769 O GLY A 113 -8.194 -13.643 -15.767 1.00 0.00 O ATOM 0 H GLY A 113 -8.888 -11.340 -15.026 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -9.306 -13.030 -12.762 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.406 -13.544 -14.026 1.00 0.00 H new ATOM 1773 N LEU A 114 -7.466 -14.376 -13.829 1.00 0.00 N ATOM 1774 CA LEU A 114 -6.315 -15.071 -14.473 1.00 0.00 C ATOM 1775 C LEU A 114 -6.584 -16.575 -14.542 1.00 0.00 C ATOM 1776 O LEU A 114 -7.029 -17.182 -13.588 1.00 0.00 O ATOM 1777 CB LEU A 114 -5.047 -14.829 -13.652 1.00 0.00 C ATOM 1778 CG LEU A 114 -4.964 -13.355 -13.257 1.00 0.00 C ATOM 1779 CD1 LEU A 114 -3.571 -13.055 -12.700 1.00 0.00 C ATOM 1780 CD2 LEU A 114 -5.214 -12.484 -14.487 1.00 0.00 C ATOM 0 H LEU A 114 -7.517 -14.468 -12.814 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.185 -14.679 -15.482 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.055 -15.455 -12.760 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.168 -15.111 -14.231 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.716 -13.140 -12.498 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.511 -12.004 -12.418 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.388 -13.677 -11.824 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.821 -13.270 -13.461 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.155 -11.432 -14.206 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.461 -12.700 -15.245 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.205 -12.697 -14.889 1.00 0.00 H new ATOM 1792 N ILE A 115 -6.302 -17.185 -15.661 1.00 0.00 N ATOM 1793 CA ILE A 115 -6.524 -18.652 -15.789 1.00 0.00 C ATOM 1794 C ILE A 115 -5.168 -19.358 -15.792 1.00 0.00 C ATOM 1795 O ILE A 115 -4.135 -18.742 -15.970 1.00 0.00 O ATOM 1796 CB ILE A 115 -7.267 -18.951 -17.099 1.00 0.00 C ATOM 1797 CG1 ILE A 115 -8.766 -18.696 -16.900 1.00 0.00 C ATOM 1798 CG2 ILE A 115 -7.047 -20.416 -17.502 1.00 0.00 C ATOM 1799 CD1 ILE A 115 -9.562 -19.390 -18.008 1.00 0.00 C ATOM 0 H ILE A 115 -5.927 -16.729 -16.493 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.125 -19.009 -14.952 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.884 -18.302 -17.887 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -9.081 -19.068 -15.925 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -8.967 -17.625 -16.912 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.577 -20.621 -18.432 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.982 -20.598 -17.644 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -7.426 -21.070 -16.717 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.626 -19.206 -17.862 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.255 -18.997 -18.977 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.372 -20.463 -17.975 1.00 0.00 H new ATOM 1811 N TYR A 116 -5.165 -20.647 -15.604 1.00 0.00 N ATOM 1812 CA TYR A 116 -3.877 -21.391 -15.606 1.00 0.00 C ATOM 1813 C TYR A 116 -4.076 -22.737 -16.306 1.00 0.00 C ATOM 1814 O TYR A 116 -4.625 -23.666 -15.747 1.00 0.00 O ATOM 1815 CB TYR A 116 -3.403 -21.617 -14.167 1.00 0.00 C ATOM 1816 CG TYR A 116 -3.924 -20.515 -13.274 1.00 0.00 C ATOM 1817 CD1 TYR A 116 -5.230 -20.577 -12.773 1.00 0.00 C ATOM 1818 CD2 TYR A 116 -3.099 -19.433 -12.947 1.00 0.00 C ATOM 1819 CE1 TYR A 116 -5.710 -19.555 -11.945 1.00 0.00 C ATOM 1820 CE2 TYR A 116 -3.579 -18.411 -12.119 1.00 0.00 C ATOM 1821 CZ TYR A 116 -4.884 -18.472 -11.618 1.00 0.00 C ATOM 1822 OH TYR A 116 -5.358 -17.466 -10.801 1.00 0.00 O ATOM 0 H TYR A 116 -5.997 -21.216 -15.449 1.00 0.00 H new ATOM 0 HA TYR A 116 -3.122 -20.812 -16.137 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -3.753 -22.584 -13.807 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -2.314 -21.640 -14.133 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.867 -21.412 -13.025 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -2.092 -19.386 -13.333 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -6.717 -19.602 -11.558 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -2.942 -17.576 -11.867 1.00 0.00 H new ATOM 0 HH TYR A 116 -4.658 -16.792 -10.673 1.00 0.00 H new ATOM 1832 N LYS A 117 -3.640 -22.843 -17.533 1.00 0.00 N ATOM 1833 CA LYS A 117 -3.810 -24.122 -18.280 1.00 0.00 C ATOM 1834 C LYS A 117 -2.693 -25.095 -17.896 1.00 0.00 C ATOM 1835 O LYS A 117 -2.118 -25.007 -16.833 1.00 0.00 O ATOM 1836 CB LYS A 117 -3.738 -23.854 -19.781 1.00 0.00 C ATOM 1837 CG LYS A 117 -4.323 -22.474 -20.095 1.00 0.00 C ATOM 1838 CD LYS A 117 -5.699 -22.338 -19.438 1.00 0.00 C ATOM 1839 CE LYS A 117 -6.714 -23.200 -20.190 1.00 0.00 C ATOM 1840 NZ LYS A 117 -8.026 -22.495 -20.240 1.00 0.00 N ATOM 0 H LYS A 117 -3.173 -22.098 -18.050 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.779 -24.554 -18.029 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.703 -23.905 -20.119 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.288 -24.623 -20.323 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.656 -21.693 -19.730 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.409 -22.341 -21.173 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.647 -22.647 -18.394 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -6.016 -21.295 -19.446 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -6.358 -23.401 -21.201 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.826 -24.164 -19.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -8.687 -23.033 -20.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -8.414 -22.416 -19.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -7.894 -21.544 -20.640 1.00 0.00 H new ATOM 1854 N GLN A 118 -2.383 -26.025 -18.758 1.00 0.00 N ATOM 1855 CA GLN A 118 -1.297 -26.997 -18.447 1.00 0.00 C ATOM 1856 C GLN A 118 0.033 -26.472 -18.995 1.00 0.00 C ATOM 1857 O GLN A 118 0.096 -25.412 -19.581 1.00 0.00 O ATOM 1858 CB GLN A 118 -1.620 -28.351 -19.085 1.00 0.00 C ATOM 1859 CG GLN A 118 -2.322 -29.244 -18.060 1.00 0.00 C ATOM 1860 CD GLN A 118 -1.680 -30.632 -18.063 1.00 0.00 C ATOM 1861 OE1 GLN A 118 -0.563 -30.796 -18.514 1.00 0.00 O ATOM 1862 NE2 GLN A 118 -2.342 -31.646 -17.577 1.00 0.00 N ATOM 0 H GLN A 118 -2.835 -26.153 -19.663 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.219 -27.119 -17.367 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.257 -28.211 -19.958 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -0.704 -28.829 -19.433 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.250 -28.801 -17.067 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.383 -29.323 -18.297 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -3.279 -31.509 -17.198 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.922 -32.576 -17.576 1.00 0.00 H new ATOM 1871 N GLY A 119 1.096 -27.209 -18.809 1.00 0.00 N ATOM 1872 CA GLY A 119 2.421 -26.753 -19.322 1.00 0.00 C ATOM 1873 C GLY A 119 2.887 -27.690 -20.440 1.00 0.00 C ATOM 1874 O GLY A 119 2.138 -28.520 -20.914 1.00 0.00 O ATOM 0 H GLY A 119 1.104 -28.106 -18.324 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.346 -25.732 -19.697 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.152 -26.743 -18.513 1.00 0.00 H new ATOM 1878 N GLY A 120 4.118 -27.566 -20.865 1.00 0.00 N ATOM 1879 CA GLY A 120 4.623 -28.452 -21.952 1.00 0.00 C ATOM 1880 C GLY A 120 3.563 -28.575 -23.047 1.00 0.00 C ATOM 1881 O GLY A 120 2.779 -29.503 -23.064 1.00 0.00 O ATOM 0 H GLY A 120 4.793 -26.891 -20.506 1.00 0.00 H new ATOM 0 HA2 GLY A 120 5.545 -28.045 -22.368 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.862 -29.437 -21.551 1.00 0.00 H new ATOM 1885 N VAL A 121 3.527 -27.645 -23.960 1.00 0.00 N ATOM 1886 CA VAL A 121 2.514 -27.710 -25.051 1.00 0.00 C ATOM 1887 C VAL A 121 3.082 -28.523 -26.219 1.00 0.00 C ATOM 1888 O VAL A 121 2.547 -28.533 -27.310 1.00 0.00 O ATOM 1889 CB VAL A 121 2.153 -26.270 -25.476 1.00 0.00 C ATOM 1890 CG1 VAL A 121 2.501 -26.005 -26.948 1.00 0.00 C ATOM 1891 CG2 VAL A 121 0.653 -26.048 -25.269 1.00 0.00 C ATOM 0 H VAL A 121 4.155 -26.842 -23.998 1.00 0.00 H new ATOM 0 HA VAL A 121 1.605 -28.206 -24.711 1.00 0.00 H new ATOM 0 HB VAL A 121 2.735 -25.582 -24.863 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.231 -24.981 -27.207 1.00 0.00 H new ATOM 0 HG12 VAL A 121 3.571 -26.148 -27.100 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.948 -26.697 -27.583 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.391 -25.033 -25.567 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.093 -26.760 -25.875 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.406 -26.193 -24.217 1.00 0.00 H new