USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 807 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 37 SER OG : rot 95:sc= 0.0158 USER MOD Set 1.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 57:sc= 1.31 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -2.13 K(o=-2.1,f=-6.9!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 170:sc= 0 USER MOD Single : A 20 TYR OH : rot 104:sc= -1.64 USER MOD Single : A 21 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-7.4!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.474 K(o=0.47,f=-0.067) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.251 F(o=-0.99,f=-0.25) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -5.67! C(o=-5.7!,f=-7!) USER MOD Single : A 65 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.4) USER MOD Single : A 67 HIS : no HE2:sc= -2.72 K(o=-2.7,f=-3.6!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.000935) USER MOD Single : A 77 ASN : amide:sc= -0.0115 K(o=-0.012,f=-0.86) USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0728 X(o=-0.073,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00489 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.457 -31.954 -0.579 1.00 0.00 N ATOM 2 CA GLY A 1 3.306 -31.450 0.147 1.00 0.00 C ATOM 3 C GLY A 1 2.333 -30.712 -0.751 1.00 0.00 C ATOM 4 O GLY A 1 2.737 -29.897 -1.580 1.00 0.00 O ATOM 0 H1 GLY A 1 5.092 -32.450 0.078 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.140 -32.613 -1.318 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.965 -31.160 -1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.792 -32.281 0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.644 -30.781 0.939 1.00 0.00 H new ATOM 8 N SER A 2 1.045 -31.000 -0.587 1.00 0.00 N ATOM 9 CA SER A 2 0.011 -30.361 -1.393 1.00 0.00 C ATOM 10 C SER A 2 -0.410 -29.029 -0.780 1.00 0.00 C ATOM 11 O SER A 2 -0.921 -28.982 0.339 1.00 0.00 O ATOM 12 CB SER A 2 -1.204 -31.282 -1.524 1.00 0.00 C ATOM 13 OG SER A 2 -2.248 -30.649 -2.243 1.00 0.00 O ATOM 0 H SER A 2 0.693 -31.671 0.096 1.00 0.00 H new ATOM 0 HA SER A 2 0.423 -30.171 -2.384 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.914 -32.202 -2.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.559 -31.564 -0.533 1.00 0.00 H new ATOM 0 HG SER A 2 -3.012 -31.258 -2.314 1.00 0.00 H new ATOM 19 N SER A 3 -0.193 -27.948 -1.522 1.00 0.00 N ATOM 20 CA SER A 3 -0.546 -26.614 -1.052 1.00 0.00 C ATOM 21 C SER A 3 -0.988 -25.728 -2.213 1.00 0.00 C ATOM 22 O SER A 3 -0.943 -26.137 -3.372 1.00 0.00 O ATOM 23 CB SER A 3 0.642 -25.974 -0.330 1.00 0.00 C ATOM 24 OG SER A 3 1.085 -26.787 0.743 1.00 0.00 O ATOM 0 H SER A 3 0.226 -27.970 -2.452 1.00 0.00 H new ATOM 0 HA SER A 3 -1.378 -26.710 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.459 -25.819 -1.034 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.356 -24.992 0.047 1.00 0.00 H new ATOM 0 HG SER A 3 1.845 -26.357 1.187 1.00 0.00 H new ATOM 30 N GLY A 4 -1.415 -24.511 -1.891 1.00 0.00 N ATOM 31 CA GLY A 4 -1.859 -23.585 -2.916 1.00 0.00 C ATOM 32 C GLY A 4 -0.747 -22.674 -3.397 1.00 0.00 C ATOM 33 O GLY A 4 -0.290 -21.800 -2.661 1.00 0.00 O ATOM 0 H GLY A 4 -1.461 -24.150 -0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.255 -24.147 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.677 -22.980 -2.525 1.00 0.00 H new ATOM 37 N SER A 5 -0.308 -22.881 -4.635 1.00 0.00 N ATOM 38 CA SER A 5 0.762 -22.075 -5.211 1.00 0.00 C ATOM 39 C SER A 5 0.931 -22.379 -6.696 1.00 0.00 C ATOM 40 O SER A 5 0.240 -23.235 -7.248 1.00 0.00 O ATOM 41 CB SER A 5 2.077 -22.332 -4.472 1.00 0.00 C ATOM 42 OG SER A 5 2.206 -21.479 -3.348 1.00 0.00 O ATOM 0 H SER A 5 -0.677 -23.600 -5.258 1.00 0.00 H new ATOM 0 HA SER A 5 0.492 -21.025 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.119 -23.372 -4.150 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.916 -22.174 -5.150 1.00 0.00 H new ATOM 0 HG SER A 5 1.438 -21.604 -2.753 1.00 0.00 H new ATOM 48 N SER A 6 1.856 -21.672 -7.337 1.00 0.00 N ATOM 49 CA SER A 6 2.115 -21.862 -8.759 1.00 0.00 C ATOM 50 C SER A 6 2.009 -23.336 -9.138 1.00 0.00 C ATOM 51 O SER A 6 2.649 -24.193 -8.529 1.00 0.00 O ATOM 52 CB SER A 6 3.503 -21.329 -9.122 1.00 0.00 C ATOM 53 OG SER A 6 3.894 -21.763 -10.413 1.00 0.00 O ATOM 0 H SER A 6 2.439 -20.962 -6.894 1.00 0.00 H new ATOM 0 HA SER A 6 1.362 -21.306 -9.318 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.498 -20.240 -9.087 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.231 -21.668 -8.385 1.00 0.00 H new ATOM 0 HG SER A 6 4.783 -21.408 -10.622 1.00 0.00 H new ATOM 59 N GLY A 7 1.195 -23.624 -10.149 1.00 0.00 N ATOM 60 CA GLY A 7 1.019 -24.995 -10.592 1.00 0.00 C ATOM 61 C GLY A 7 1.962 -25.365 -11.720 1.00 0.00 C ATOM 62 O GLY A 7 1.575 -26.060 -12.659 1.00 0.00 O ATOM 0 H GLY A 7 0.654 -22.933 -10.669 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.181 -25.669 -9.751 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.010 -25.138 -10.921 1.00 0.00 H new ATOM 66 N ARG A 8 3.203 -24.899 -11.629 1.00 0.00 N ATOM 67 CA ARG A 8 4.203 -25.183 -12.651 1.00 0.00 C ATOM 68 C ARG A 8 3.766 -24.634 -14.006 1.00 0.00 C ATOM 69 O ARG A 8 3.967 -25.274 -15.038 1.00 0.00 O ATOM 70 CB ARG A 8 4.446 -26.690 -12.752 1.00 0.00 C ATOM 71 CG ARG A 8 5.128 -27.280 -11.529 1.00 0.00 C ATOM 72 CD ARG A 8 6.488 -26.645 -11.288 1.00 0.00 C ATOM 73 NE ARG A 8 7.222 -27.313 -10.216 1.00 0.00 N ATOM 74 CZ ARG A 8 8.463 -26.994 -9.865 1.00 0.00 C ATOM 75 NH1 ARG A 8 9.104 -26.020 -10.497 1.00 0.00 N ATOM 76 NH2 ARG A 8 9.064 -27.648 -8.879 1.00 0.00 N ATOM 0 H ARG A 8 3.540 -24.323 -10.858 1.00 0.00 H new ATOM 0 HA ARG A 8 5.132 -24.691 -12.362 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.492 -27.194 -12.904 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.057 -26.893 -13.632 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.496 -27.133 -10.653 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.246 -28.356 -11.660 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.074 -26.683 -12.207 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.357 -25.592 -11.037 1.00 0.00 H new ATOM 0 HE ARG A 8 6.756 -28.066 -9.709 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.644 -25.514 -11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.057 -25.777 -10.226 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.573 -28.396 -8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.017 -27.402 -8.610 1.00 0.00 H new ATOM 90 N GLN A 9 3.167 -23.448 -13.993 1.00 0.00 N ATOM 91 CA GLN A 9 2.701 -22.815 -15.222 1.00 0.00 C ATOM 92 C GLN A 9 3.876 -22.373 -16.087 1.00 0.00 C ATOM 93 O GLN A 9 4.667 -21.519 -15.687 1.00 0.00 O ATOM 94 CB GLN A 9 1.812 -21.614 -14.895 1.00 0.00 C ATOM 95 CG GLN A 9 0.340 -21.965 -14.759 1.00 0.00 C ATOM 96 CD GLN A 9 0.034 -22.709 -13.474 1.00 0.00 C ATOM 97 OE1 GLN A 9 0.325 -23.898 -13.346 1.00 0.00 O ATOM 98 NE2 GLN A 9 -0.557 -22.010 -12.511 1.00 0.00 N ATOM 0 H GLN A 9 2.993 -22.906 -13.147 1.00 0.00 H new ATOM 0 HA GLN A 9 2.119 -23.548 -15.781 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.156 -21.161 -13.965 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.927 -20.864 -15.677 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.252 -21.051 -14.795 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.036 -22.576 -15.609 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.781 -21.026 -12.659 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.787 -22.457 -11.624 1.00 0.00 H new ATOM 107 N ARG A 10 3.985 -22.962 -17.274 1.00 0.00 N ATOM 108 CA ARG A 10 5.065 -22.630 -18.195 1.00 0.00 C ATOM 109 C ARG A 10 4.641 -21.520 -19.153 1.00 0.00 C ATOM 110 O ARG A 10 5.084 -21.475 -20.301 1.00 0.00 O ATOM 111 CB ARG A 10 5.488 -23.868 -18.987 1.00 0.00 C ATOM 112 CG ARG A 10 4.468 -24.304 -20.026 1.00 0.00 C ATOM 113 CD ARG A 10 3.433 -25.245 -19.430 1.00 0.00 C ATOM 114 NE ARG A 10 2.907 -26.179 -20.423 1.00 0.00 N ATOM 115 CZ ARG A 10 2.344 -27.341 -20.112 1.00 0.00 C ATOM 116 NH1 ARG A 10 2.234 -27.710 -18.844 1.00 0.00 N ATOM 117 NH2 ARG A 10 1.889 -28.137 -21.072 1.00 0.00 N ATOM 0 H ARG A 10 3.339 -23.671 -17.620 1.00 0.00 H new ATOM 0 HA ARG A 10 5.913 -22.276 -17.608 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.436 -23.664 -19.484 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.662 -24.691 -18.293 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.969 -23.427 -20.438 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.978 -24.799 -20.853 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.881 -25.804 -18.608 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.613 -24.663 -19.010 1.00 0.00 H new ATOM 0 HE ARG A 10 2.976 -25.925 -21.408 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.582 -27.101 -18.104 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.801 -28.603 -18.608 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.972 -27.856 -22.049 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.457 -29.029 -20.832 1.00 0.00 H new ATOM 131 N SER A 11 3.781 -20.628 -18.673 1.00 0.00 N ATOM 132 CA SER A 11 3.293 -19.521 -19.488 1.00 0.00 C ATOM 133 C SER A 11 4.035 -18.231 -19.152 1.00 0.00 C ATOM 134 O SER A 11 4.786 -18.169 -18.178 1.00 0.00 O ATOM 135 CB SER A 11 1.790 -19.328 -19.277 1.00 0.00 C ATOM 136 OG SER A 11 1.179 -18.782 -20.433 1.00 0.00 O ATOM 0 H SER A 11 3.408 -20.650 -17.724 1.00 0.00 H new ATOM 0 HA SER A 11 3.477 -19.764 -20.534 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.328 -20.285 -19.035 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.621 -18.668 -18.426 1.00 0.00 H new ATOM 0 HG SER A 11 0.219 -18.670 -20.273 1.00 0.00 H new ATOM 142 N LEU A 12 3.820 -17.204 -19.966 1.00 0.00 N ATOM 143 CA LEU A 12 4.468 -15.913 -19.757 1.00 0.00 C ATOM 144 C LEU A 12 4.465 -15.536 -18.279 1.00 0.00 C ATOM 145 O LEU A 12 3.407 -15.365 -17.674 1.00 0.00 O ATOM 146 CB LEU A 12 3.763 -14.829 -20.573 1.00 0.00 C ATOM 147 CG LEU A 12 4.060 -14.818 -22.073 1.00 0.00 C ATOM 148 CD1 LEU A 12 2.881 -14.248 -22.846 1.00 0.00 C ATOM 149 CD2 LEU A 12 5.324 -14.021 -22.361 1.00 0.00 C ATOM 0 H LEU A 12 3.202 -17.239 -20.777 1.00 0.00 H new ATOM 0 HA LEU A 12 5.503 -15.995 -20.090 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.687 -14.942 -20.437 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.036 -13.857 -20.162 1.00 0.00 H new ATOM 0 HG LEU A 12 4.220 -15.846 -22.400 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.110 -14.248 -23.912 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.997 -14.860 -22.665 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.689 -13.227 -22.516 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.520 -14.024 -23.433 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.193 -12.994 -22.019 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.166 -14.473 -21.837 1.00 0.00 H new ATOM 161 N SER A 13 5.657 -15.406 -17.705 1.00 0.00 N ATOM 162 CA SER A 13 5.792 -15.051 -16.297 1.00 0.00 C ATOM 163 C SER A 13 4.849 -13.909 -15.932 1.00 0.00 C ATOM 164 O SER A 13 4.462 -13.110 -16.786 1.00 0.00 O ATOM 165 CB SER A 13 7.237 -14.653 -15.986 1.00 0.00 C ATOM 166 OG SER A 13 7.662 -13.587 -16.818 1.00 0.00 O ATOM 0 H SER A 13 6.542 -15.541 -18.193 1.00 0.00 H new ATOM 0 HA SER A 13 5.526 -15.924 -15.701 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.319 -14.357 -14.940 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.893 -15.512 -16.127 1.00 0.00 H new ATOM 0 HG SER A 13 8.587 -13.350 -16.599 1.00 0.00 H new ATOM 172 N THR A 14 4.482 -13.838 -14.656 1.00 0.00 N ATOM 173 CA THR A 14 3.583 -12.796 -14.177 1.00 0.00 C ATOM 174 C THR A 14 4.029 -12.267 -12.818 1.00 0.00 C ATOM 175 O THR A 14 4.098 -13.015 -11.843 1.00 0.00 O ATOM 176 CB THR A 14 2.135 -13.310 -14.065 1.00 0.00 C ATOM 177 OG1 THR A 14 1.264 -12.242 -13.675 1.00 0.00 O ATOM 178 CG2 THR A 14 2.040 -14.443 -13.054 1.00 0.00 C ATOM 0 H THR A 14 4.794 -14.490 -13.936 1.00 0.00 H new ATOM 0 HA THR A 14 3.618 -11.988 -14.908 1.00 0.00 H new ATOM 0 HB THR A 14 1.831 -13.688 -15.041 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.345 -12.577 -13.608 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.008 -14.790 -12.992 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.681 -15.266 -13.369 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.362 -14.086 -12.076 1.00 0.00 H new ATOM 186 N SER A 15 4.330 -10.974 -12.761 1.00 0.00 N ATOM 187 CA SER A 15 4.772 -10.346 -11.521 1.00 0.00 C ATOM 188 C SER A 15 3.789 -10.627 -10.389 1.00 0.00 C ATOM 189 O SER A 15 2.623 -10.238 -10.453 1.00 0.00 O ATOM 190 CB SER A 15 4.926 -8.836 -11.716 1.00 0.00 C ATOM 191 OG SER A 15 5.918 -8.546 -12.685 1.00 0.00 O ATOM 0 H SER A 15 4.276 -10.341 -13.559 1.00 0.00 H new ATOM 0 HA SER A 15 5.739 -10.771 -11.252 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.973 -8.407 -12.027 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.192 -8.369 -10.768 1.00 0.00 H new ATOM 0 HG SER A 15 5.996 -7.575 -12.793 1.00 0.00 H new ATOM 197 N GLY A 16 4.269 -11.305 -9.351 1.00 0.00 N ATOM 198 CA GLY A 16 3.420 -11.627 -8.219 1.00 0.00 C ATOM 199 C GLY A 16 3.637 -10.690 -7.047 1.00 0.00 C ATOM 200 O GLY A 16 4.466 -10.956 -6.178 1.00 0.00 O ATOM 0 H GLY A 16 5.230 -11.637 -9.274 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.376 -11.582 -8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.615 -12.652 -7.902 1.00 0.00 H new ATOM 204 N GLU A 17 2.890 -9.591 -7.025 1.00 0.00 N ATOM 205 CA GLU A 17 3.008 -8.610 -5.952 1.00 0.00 C ATOM 206 C GLU A 17 1.917 -7.549 -6.063 1.00 0.00 C ATOM 207 O GLU A 17 1.758 -6.914 -7.106 1.00 0.00 O ATOM 208 CB GLU A 17 4.386 -7.947 -5.985 1.00 0.00 C ATOM 209 CG GLU A 17 4.803 -7.479 -7.370 1.00 0.00 C ATOM 210 CD GLU A 17 6.309 -7.407 -7.532 1.00 0.00 C ATOM 211 OE1 GLU A 17 6.894 -6.364 -7.174 1.00 0.00 O ATOM 212 OE2 GLU A 17 6.902 -8.394 -8.016 1.00 0.00 O ATOM 0 H GLU A 17 2.198 -9.357 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 17 2.888 -9.132 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.386 -7.094 -5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.128 -8.652 -5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.393 -8.158 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.373 -6.496 -7.562 1.00 0.00 H new ATOM 219 N SER A 18 1.168 -7.362 -4.981 1.00 0.00 N ATOM 220 CA SER A 18 0.090 -6.381 -4.958 1.00 0.00 C ATOM 221 C SER A 18 0.492 -5.150 -4.151 1.00 0.00 C ATOM 222 O SER A 18 0.788 -4.095 -4.712 1.00 0.00 O ATOM 223 CB SER A 18 -1.179 -7.000 -4.367 1.00 0.00 C ATOM 224 OG SER A 18 -1.969 -7.604 -5.376 1.00 0.00 O ATOM 0 H SER A 18 1.288 -7.877 -4.109 1.00 0.00 H new ATOM 0 HA SER A 18 -0.108 -6.072 -5.984 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.909 -7.744 -3.618 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.760 -6.231 -3.858 1.00 0.00 H new ATOM 0 HG SER A 18 -2.685 -8.128 -4.961 1.00 0.00 H new ATOM 230 N LEU A 19 0.500 -5.294 -2.830 1.00 0.00 N ATOM 231 CA LEU A 19 0.866 -4.194 -1.944 1.00 0.00 C ATOM 232 C LEU A 19 2.372 -3.953 -1.968 1.00 0.00 C ATOM 233 O LEU A 19 2.829 -2.811 -1.912 1.00 0.00 O ATOM 234 CB LEU A 19 0.410 -4.492 -0.514 1.00 0.00 C ATOM 235 CG LEU A 19 -1.102 -4.569 -0.295 1.00 0.00 C ATOM 236 CD1 LEU A 19 -1.417 -5.298 1.002 1.00 0.00 C ATOM 237 CD2 LEU A 19 -1.711 -3.175 -0.288 1.00 0.00 C ATOM 0 H LEU A 19 0.258 -6.160 -2.349 1.00 0.00 H new ATOM 0 HA LEU A 19 0.366 -3.293 -2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.851 -5.439 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.814 -3.722 0.143 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.541 -5.131 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.497 -5.343 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.014 -6.310 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.966 -4.764 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.787 -3.249 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.267 -2.588 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.516 -2.688 -1.244 1.00 0.00 H new ATOM 249 N TYR A 20 3.138 -5.035 -2.055 1.00 0.00 N ATOM 250 CA TYR A 20 4.593 -4.941 -2.087 1.00 0.00 C ATOM 251 C TYR A 20 5.051 -3.934 -3.137 1.00 0.00 C ATOM 252 O TYR A 20 5.882 -3.067 -2.863 1.00 0.00 O ATOM 253 CB TYR A 20 5.207 -6.312 -2.378 1.00 0.00 C ATOM 254 CG TYR A 20 4.707 -7.406 -1.461 1.00 0.00 C ATOM 255 CD1 TYR A 20 3.500 -8.049 -1.709 1.00 0.00 C ATOM 256 CD2 TYR A 20 5.440 -7.795 -0.347 1.00 0.00 C ATOM 257 CE1 TYR A 20 3.039 -9.048 -0.874 1.00 0.00 C ATOM 258 CE2 TYR A 20 4.988 -8.795 0.492 1.00 0.00 C ATOM 259 CZ TYR A 20 3.787 -9.418 0.225 1.00 0.00 C ATOM 260 OH TYR A 20 3.331 -10.413 1.059 1.00 0.00 O ATOM 0 H TYR A 20 2.776 -5.987 -2.105 1.00 0.00 H new ATOM 0 HA TYR A 20 4.931 -4.598 -1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.989 -6.587 -3.410 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.291 -6.242 -2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.913 -7.763 -2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.380 -7.307 -0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.098 -9.537 -1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.572 -9.087 1.352 1.00 0.00 H new ATOM 0 HH TYR A 20 3.831 -11.238 0.888 1.00 0.00 H new ATOM 270 N HIS A 21 4.501 -4.053 -4.342 1.00 0.00 N ATOM 271 CA HIS A 21 4.851 -3.153 -5.435 1.00 0.00 C ATOM 272 C HIS A 21 4.574 -1.702 -5.053 1.00 0.00 C ATOM 273 O HIS A 21 5.427 -0.831 -5.222 1.00 0.00 O ATOM 274 CB HIS A 21 4.068 -3.519 -6.696 1.00 0.00 C ATOM 275 CG HIS A 21 4.785 -3.177 -7.966 1.00 0.00 C ATOM 276 ND1 HIS A 21 4.187 -2.502 -9.009 1.00 0.00 N ATOM 277 CD2 HIS A 21 6.058 -3.418 -8.357 1.00 0.00 C ATOM 278 CE1 HIS A 21 5.060 -2.345 -9.988 1.00 0.00 C ATOM 279 NE2 HIS A 21 6.204 -2.892 -9.617 1.00 0.00 N ATOM 0 H HIS A 21 3.811 -4.764 -4.586 1.00 0.00 H new ATOM 0 HA HIS A 21 5.917 -3.261 -5.635 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.856 -4.588 -6.685 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.108 -3.003 -6.680 1.00 0.00 H new ATOM 0 HD2 HIS A 21 6.818 -3.929 -7.784 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.871 -1.853 -10.931 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.057 -2.919 -10.176 1.00 0.00 H new ATOM 287 N VAL A 22 3.375 -1.449 -4.538 1.00 0.00 N ATOM 288 CA VAL A 22 2.985 -0.104 -4.132 1.00 0.00 C ATOM 289 C VAL A 22 4.145 0.626 -3.463 1.00 0.00 C ATOM 290 O VAL A 22 4.340 1.824 -3.670 1.00 0.00 O ATOM 291 CB VAL A 22 1.787 -0.135 -3.165 1.00 0.00 C ATOM 292 CG1 VAL A 22 1.470 1.265 -2.662 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.573 -0.755 -3.841 1.00 0.00 C ATOM 0 H VAL A 22 2.657 -2.158 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 22 2.698 0.429 -5.038 1.00 0.00 H new ATOM 0 HB VAL A 22 2.051 -0.752 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.621 1.223 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.337 1.668 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.225 1.908 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.264 -0.769 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.305 -0.166 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.808 -1.775 -4.146 1.00 0.00 H new ATOM 303 N LEU A 23 4.913 -0.104 -2.662 1.00 0.00 N ATOM 304 CA LEU A 23 6.055 0.474 -1.962 1.00 0.00 C ATOM 305 C LEU A 23 7.322 0.364 -2.805 1.00 0.00 C ATOM 306 O LEU A 23 8.089 1.319 -2.918 1.00 0.00 O ATOM 307 CB LEU A 23 6.261 -0.225 -0.617 1.00 0.00 C ATOM 308 CG LEU A 23 5.025 -0.344 0.274 1.00 0.00 C ATOM 309 CD1 LEU A 23 5.315 -1.231 1.475 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.559 1.033 0.726 1.00 0.00 C ATOM 0 H LEU A 23 4.766 -1.097 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 23 5.847 1.530 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.645 -1.227 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.032 0.313 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 23 4.226 -0.804 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.423 -1.304 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.600 -2.226 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.130 -0.800 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.678 0.929 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.355 1.520 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.309 1.637 -0.146 1.00 0.00 H new ATOM 322 N GLY A 24 7.533 -0.808 -3.397 1.00 0.00 N ATOM 323 CA GLY A 24 8.707 -1.020 -4.224 1.00 0.00 C ATOM 324 C GLY A 24 9.474 -2.267 -3.831 1.00 0.00 C ATOM 325 O GLY A 24 10.693 -2.333 -3.998 1.00 0.00 O ATOM 0 H GLY A 24 6.912 -1.614 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.403 -1.098 -5.268 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.364 -0.153 -4.147 1.00 0.00 H new ATOM 329 N LEU A 25 8.762 -3.258 -3.306 1.00 0.00 N ATOM 330 CA LEU A 25 9.384 -4.509 -2.887 1.00 0.00 C ATOM 331 C LEU A 25 8.623 -5.708 -3.442 1.00 0.00 C ATOM 332 O LEU A 25 7.679 -5.553 -4.216 1.00 0.00 O ATOM 333 CB LEU A 25 9.439 -4.587 -1.360 1.00 0.00 C ATOM 334 CG LEU A 25 9.988 -3.352 -0.644 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.435 -3.265 0.770 1.00 0.00 C ATOM 336 CD2 LEU A 25 11.509 -3.379 -0.623 1.00 0.00 C ATOM 0 H LEU A 25 7.753 -3.219 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 25 10.399 -4.532 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.432 -4.779 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.050 -5.445 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 25 9.668 -2.466 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.837 -2.380 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.348 -3.197 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.724 -4.155 1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.882 -2.493 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.850 -4.272 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.887 -3.392 -1.645 1.00 0.00 H new ATOM 348 N ASP A 26 9.039 -6.904 -3.039 1.00 0.00 N ATOM 349 CA ASP A 26 8.395 -8.131 -3.493 1.00 0.00 C ATOM 350 C ASP A 26 7.890 -8.950 -2.309 1.00 0.00 C ATOM 351 O ASP A 26 8.002 -8.531 -1.157 1.00 0.00 O ATOM 352 CB ASP A 26 9.368 -8.964 -4.328 1.00 0.00 C ATOM 353 CG ASP A 26 10.794 -8.872 -3.820 1.00 0.00 C ATOM 354 OD1 ASP A 26 11.446 -7.835 -4.067 1.00 0.00 O ATOM 355 OD2 ASP A 26 11.257 -9.835 -3.175 1.00 0.00 O ATOM 0 H ASP A 26 9.819 -7.050 -2.399 1.00 0.00 H new ATOM 0 HA ASP A 26 7.541 -7.856 -4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.049 -10.006 -4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.332 -8.628 -5.364 1.00 0.00 H new ATOM 360 N LYS A 27 7.333 -10.120 -2.601 1.00 0.00 N ATOM 361 CA LYS A 27 6.811 -11.000 -1.562 1.00 0.00 C ATOM 362 C LYS A 27 7.938 -11.534 -0.684 1.00 0.00 C ATOM 363 O LYS A 27 7.805 -11.607 0.537 1.00 0.00 O ATOM 364 CB LYS A 27 6.043 -12.165 -2.190 1.00 0.00 C ATOM 365 CG LYS A 27 4.746 -11.748 -2.861 1.00 0.00 C ATOM 366 CD LYS A 27 3.769 -12.908 -2.956 1.00 0.00 C ATOM 367 CE LYS A 27 2.365 -12.428 -3.291 1.00 0.00 C ATOM 368 NZ LYS A 27 1.427 -13.564 -3.507 1.00 0.00 N ATOM 0 H LYS A 27 7.231 -10.481 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 27 6.132 -10.420 -0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.681 -12.655 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.822 -12.902 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.290 -10.933 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.958 -11.367 -3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.107 -13.608 -3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.753 -13.450 -2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.994 -11.799 -2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.397 -11.808 -4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.481 -13.195 -3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.767 -14.150 -4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.376 -14.141 -2.643 1.00 0.00 H new ATOM 382 N ASN A 28 9.048 -11.905 -1.314 1.00 0.00 N ATOM 383 CA ASN A 28 10.198 -12.432 -0.589 1.00 0.00 C ATOM 384 C ASN A 28 10.643 -11.463 0.502 1.00 0.00 C ATOM 385 O ASN A 28 11.173 -11.875 1.534 1.00 0.00 O ATOM 386 CB ASN A 28 11.356 -12.698 -1.553 1.00 0.00 C ATOM 387 CG ASN A 28 11.319 -14.100 -2.129 1.00 0.00 C ATOM 388 OD1 ASN A 28 11.258 -15.084 -1.391 1.00 0.00 O ATOM 389 ND2 ASN A 28 11.356 -14.198 -3.453 1.00 0.00 N ATOM 0 H ASN A 28 9.175 -11.850 -2.325 1.00 0.00 H new ATOM 0 HA ASN A 28 9.902 -13.370 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.322 -11.973 -2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.301 -12.547 -1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.334 -15.116 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.406 -13.355 -4.026 1.00 0.00 H new ATOM 396 N ALA A 29 10.424 -10.174 0.267 1.00 0.00 N ATOM 397 CA ALA A 29 10.799 -9.147 1.231 1.00 0.00 C ATOM 398 C ALA A 29 10.230 -9.455 2.612 1.00 0.00 C ATOM 399 O ALA A 29 9.275 -10.222 2.745 1.00 0.00 O ATOM 400 CB ALA A 29 10.327 -7.780 0.757 1.00 0.00 C ATOM 0 H ALA A 29 9.989 -9.816 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 29 11.886 -9.137 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.614 -7.023 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.786 -7.550 -0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.242 -7.787 0.649 1.00 0.00 H new ATOM 406 N THR A 30 10.823 -8.854 3.639 1.00 0.00 N ATOM 407 CA THR A 30 10.376 -9.066 5.010 1.00 0.00 C ATOM 408 C THR A 30 9.709 -7.816 5.570 1.00 0.00 C ATOM 409 O THR A 30 9.827 -6.730 5.003 1.00 0.00 O ATOM 410 CB THR A 30 11.548 -9.464 5.927 1.00 0.00 C ATOM 411 OG1 THR A 30 12.554 -8.444 5.907 1.00 0.00 O ATOM 412 CG2 THR A 30 12.153 -10.789 5.489 1.00 0.00 C ATOM 0 H THR A 30 11.614 -8.217 3.547 1.00 0.00 H new ATOM 0 HA THR A 30 9.652 -9.880 4.984 1.00 0.00 H new ATOM 0 HB THR A 30 11.165 -9.576 6.941 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.295 -8.704 6.494 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.979 -11.049 6.152 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.393 -11.569 5.534 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.522 -10.700 4.467 1.00 0.00 H new ATOM 420 N SER A 31 9.008 -7.976 6.688 1.00 0.00 N ATOM 421 CA SER A 31 8.318 -6.859 7.324 1.00 0.00 C ATOM 422 C SER A 31 9.294 -5.732 7.649 1.00 0.00 C ATOM 423 O SER A 31 8.889 -4.590 7.870 1.00 0.00 O ATOM 424 CB SER A 31 7.617 -7.326 8.602 1.00 0.00 C ATOM 425 OG SER A 31 8.541 -7.906 9.507 1.00 0.00 O ATOM 0 H SER A 31 8.903 -8.868 7.172 1.00 0.00 H new ATOM 0 HA SER A 31 7.571 -6.480 6.626 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.119 -6.481 9.077 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.843 -8.052 8.352 1.00 0.00 H new ATOM 0 HG SER A 31 8.069 -8.195 10.316 1.00 0.00 H new ATOM 431 N ASP A 32 10.580 -6.061 7.675 1.00 0.00 N ATOM 432 CA ASP A 32 11.615 -5.077 7.971 1.00 0.00 C ATOM 433 C ASP A 32 11.892 -4.197 6.756 1.00 0.00 C ATOM 434 O ASP A 32 11.890 -2.970 6.852 1.00 0.00 O ATOM 435 CB ASP A 32 12.902 -5.776 8.413 1.00 0.00 C ATOM 436 CG ASP A 32 14.141 -4.965 8.093 1.00 0.00 C ATOM 437 OD1 ASP A 32 14.689 -5.132 6.983 1.00 0.00 O ATOM 438 OD2 ASP A 32 14.565 -4.163 8.952 1.00 0.00 O ATOM 0 H ASP A 32 10.931 -7.001 7.495 1.00 0.00 H new ATOM 0 HA ASP A 32 11.257 -4.443 8.783 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.861 -5.962 9.486 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.971 -6.747 7.923 1.00 0.00 H new ATOM 443 N ASP A 33 12.132 -4.832 5.614 1.00 0.00 N ATOM 444 CA ASP A 33 12.410 -4.108 4.380 1.00 0.00 C ATOM 445 C ASP A 33 11.225 -3.233 3.983 1.00 0.00 C ATOM 446 O ASP A 33 11.388 -2.222 3.299 1.00 0.00 O ATOM 447 CB ASP A 33 12.738 -5.087 3.251 1.00 0.00 C ATOM 448 CG ASP A 33 13.648 -4.478 2.202 1.00 0.00 C ATOM 449 OD1 ASP A 33 14.293 -3.451 2.501 1.00 0.00 O ATOM 450 OD2 ASP A 33 13.716 -5.029 1.084 1.00 0.00 O ATOM 0 H ASP A 33 12.140 -5.847 5.518 1.00 0.00 H new ATOM 0 HA ASP A 33 13.272 -3.464 4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.214 -5.974 3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.812 -5.415 2.778 1.00 0.00 H new ATOM 455 N ILE A 34 10.033 -3.631 4.415 1.00 0.00 N ATOM 456 CA ILE A 34 8.820 -2.883 4.105 1.00 0.00 C ATOM 457 C ILE A 34 8.725 -1.616 4.947 1.00 0.00 C ATOM 458 O ILE A 34 8.365 -0.550 4.447 1.00 0.00 O ATOM 459 CB ILE A 34 7.559 -3.736 4.337 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.601 -4.995 3.469 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.308 -2.922 4.039 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.679 -6.093 3.952 1.00 0.00 C ATOM 0 H ILE A 34 9.881 -4.466 4.980 1.00 0.00 H new ATOM 0 HA ILE A 34 8.877 -2.612 3.051 1.00 0.00 H new ATOM 0 HB ILE A 34 7.531 -4.040 5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.333 -4.730 2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.622 -5.375 3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.425 -3.538 4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.275 -2.053 4.696 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.328 -2.592 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.761 -6.955 3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.960 -6.385 4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.651 -5.731 3.951 1.00 0.00 H new ATOM 474 N LYS A 35 9.052 -1.738 6.229 1.00 0.00 N ATOM 475 CA LYS A 35 9.008 -0.602 7.143 1.00 0.00 C ATOM 476 C LYS A 35 9.992 0.481 6.713 1.00 0.00 C ATOM 477 O LYS A 35 9.614 1.636 6.516 1.00 0.00 O ATOM 478 CB LYS A 35 9.324 -1.056 8.570 1.00 0.00 C ATOM 479 CG LYS A 35 8.137 -1.674 9.288 1.00 0.00 C ATOM 480 CD LYS A 35 8.497 -2.091 10.704 1.00 0.00 C ATOM 481 CE LYS A 35 7.631 -3.246 11.182 1.00 0.00 C ATOM 482 NZ LYS A 35 8.344 -4.101 12.171 1.00 0.00 N ATOM 0 H LYS A 35 9.351 -2.613 6.659 1.00 0.00 H new ATOM 0 HA LYS A 35 8.001 -0.185 7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.138 -1.781 8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.680 -0.201 9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.315 -0.959 9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.785 -2.542 8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.547 -2.382 10.743 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.376 -1.242 11.376 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.719 -2.854 11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.330 -3.852 10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.720 -4.877 12.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.201 -4.496 11.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.609 -3.528 12.998 1.00 0.00 H new ATOM 496 N LYS A 36 11.257 0.100 6.567 1.00 0.00 N ATOM 497 CA LYS A 36 12.297 1.037 6.158 1.00 0.00 C ATOM 498 C LYS A 36 11.950 1.683 4.820 1.00 0.00 C ATOM 499 O LYS A 36 12.082 2.896 4.653 1.00 0.00 O ATOM 500 CB LYS A 36 13.646 0.322 6.057 1.00 0.00 C ATOM 501 CG LYS A 36 13.724 -0.670 4.909 1.00 0.00 C ATOM 502 CD LYS A 36 15.065 -1.384 4.879 1.00 0.00 C ATOM 503 CE LYS A 36 16.171 -0.470 4.376 1.00 0.00 C ATOM 504 NZ LYS A 36 17.501 -0.854 4.925 1.00 0.00 N ATOM 0 H LYS A 36 11.587 -0.852 6.726 1.00 0.00 H new ATOM 0 HA LYS A 36 12.364 1.820 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.434 1.066 5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.841 -0.202 6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.923 -1.403 5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.567 -0.148 3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.312 -1.739 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.997 -2.262 4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.204 -0.505 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.946 0.559 4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.228 -0.207 4.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.478 -0.796 5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.727 -1.827 4.637 1.00 0.00 H new ATOM 518 N SER A 37 11.506 0.866 3.870 1.00 0.00 N ATOM 519 CA SER A 37 11.143 1.358 2.547 1.00 0.00 C ATOM 520 C SER A 37 10.055 2.423 2.643 1.00 0.00 C ATOM 521 O SER A 37 10.056 3.397 1.890 1.00 0.00 O ATOM 522 CB SER A 37 10.666 0.203 1.663 1.00 0.00 C ATOM 523 OG SER A 37 11.763 -0.483 1.085 1.00 0.00 O ATOM 0 H SER A 37 11.389 -0.140 3.992 1.00 0.00 H new ATOM 0 HA SER A 37 12.029 1.808 2.098 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.071 -0.491 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.018 0.587 0.876 1.00 0.00 H new ATOM 0 HG SER A 37 11.994 -1.257 1.640 1.00 0.00 H new ATOM 529 N TYR A 38 9.127 2.229 3.573 1.00 0.00 N ATOM 530 CA TYR A 38 8.031 3.171 3.767 1.00 0.00 C ATOM 531 C TYR A 38 8.560 4.560 4.110 1.00 0.00 C ATOM 532 O TYR A 38 8.011 5.571 3.673 1.00 0.00 O ATOM 533 CB TYR A 38 7.099 2.680 4.877 1.00 0.00 C ATOM 534 CG TYR A 38 6.401 3.796 5.619 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.633 4.735 4.940 1.00 0.00 C ATOM 536 CD2 TYR A 38 6.509 3.914 6.999 1.00 0.00 C ATOM 537 CE1 TYR A 38 4.994 5.757 5.614 1.00 0.00 C ATOM 538 CE2 TYR A 38 5.871 4.932 7.682 1.00 0.00 C ATOM 539 CZ TYR A 38 5.115 5.851 6.984 1.00 0.00 C ATOM 540 OH TYR A 38 4.480 6.868 7.660 1.00 0.00 O ATOM 0 H TYR A 38 9.112 1.428 4.204 1.00 0.00 H new ATOM 0 HA TYR A 38 7.472 3.235 2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.349 2.018 4.444 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.675 2.087 5.588 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.534 4.664 3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.102 3.197 7.548 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.402 6.479 5.071 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.964 5.008 8.755 1.00 0.00 H new ATOM 0 HH TYR A 38 4.666 6.790 8.619 1.00 0.00 H new ATOM 550 N ARG A 39 9.632 4.601 4.896 1.00 0.00 N ATOM 551 CA ARG A 39 10.236 5.865 5.299 1.00 0.00 C ATOM 552 C ARG A 39 10.612 6.701 4.079 1.00 0.00 C ATOM 553 O ARG A 39 9.986 7.723 3.796 1.00 0.00 O ATOM 554 CB ARG A 39 11.476 5.611 6.157 1.00 0.00 C ATOM 555 CG ARG A 39 11.186 4.835 7.432 1.00 0.00 C ATOM 556 CD ARG A 39 12.432 4.691 8.292 1.00 0.00 C ATOM 557 NE ARG A 39 12.774 5.936 8.974 1.00 0.00 N ATOM 558 CZ ARG A 39 13.913 6.125 9.631 1.00 0.00 C ATOM 559 NH1 ARG A 39 14.815 5.156 9.693 1.00 0.00 N ATOM 560 NH2 ARG A 39 14.151 7.287 10.226 1.00 0.00 N ATOM 0 H ARG A 39 10.099 3.773 5.266 1.00 0.00 H new ATOM 0 HA ARG A 39 9.503 6.418 5.886 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.210 5.062 5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.928 6.567 6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.407 5.344 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.801 3.847 7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.274 3.905 9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.269 4.378 7.668 1.00 0.00 H new ATOM 0 HE ARG A 39 12.102 6.702 8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.636 4.262 9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.689 5.304 10.198 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.459 8.035 10.179 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.026 7.432 10.730 1.00 0.00 H new ATOM 574 N LYS A 40 11.638 6.260 3.359 1.00 0.00 N ATOM 575 CA LYS A 40 12.097 6.966 2.169 1.00 0.00 C ATOM 576 C LYS A 40 10.917 7.442 1.328 1.00 0.00 C ATOM 577 O LYS A 40 10.899 8.577 0.849 1.00 0.00 O ATOM 578 CB LYS A 40 13.001 6.060 1.330 1.00 0.00 C ATOM 579 CG LYS A 40 12.328 4.774 0.883 1.00 0.00 C ATOM 580 CD LYS A 40 13.210 3.984 -0.069 1.00 0.00 C ATOM 581 CE LYS A 40 12.886 2.499 -0.026 1.00 0.00 C ATOM 582 NZ LYS A 40 13.183 1.828 -1.322 1.00 0.00 N ATOM 0 H LYS A 40 12.168 5.416 3.579 1.00 0.00 H new ATOM 0 HA LYS A 40 12.665 7.838 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.336 6.610 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.891 5.812 1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.094 4.163 1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.382 5.008 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.077 4.357 -1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.257 4.137 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.462 2.025 0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.833 2.364 0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.949 0.817 -1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.615 2.263 -2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.193 1.934 -1.544 1.00 0.00 H new ATOM 596 N LEU A 41 9.931 6.569 1.153 1.00 0.00 N ATOM 597 CA LEU A 41 8.745 6.900 0.372 1.00 0.00 C ATOM 598 C LEU A 41 7.942 8.009 1.044 1.00 0.00 C ATOM 599 O LEU A 41 7.416 8.900 0.377 1.00 0.00 O ATOM 600 CB LEU A 41 7.868 5.660 0.188 1.00 0.00 C ATOM 601 CG LEU A 41 8.520 4.478 -0.530 1.00 0.00 C ATOM 602 CD1 LEU A 41 7.642 3.240 -0.426 1.00 0.00 C ATOM 603 CD2 LEU A 41 8.789 4.822 -1.988 1.00 0.00 C ATOM 0 H LEU A 41 9.930 5.626 1.542 1.00 0.00 H new ATOM 0 HA LEU A 41 9.072 7.254 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.537 5.325 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.976 5.950 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 41 9.473 4.264 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.122 2.409 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.500 2.982 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.674 3.441 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.253 3.969 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.849 5.063 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.458 5.681 -2.042 1.00 0.00 H new ATOM 615 N ALA A 42 7.854 7.949 2.369 1.00 0.00 N ATOM 616 CA ALA A 42 7.119 8.951 3.132 1.00 0.00 C ATOM 617 C ALA A 42 7.738 10.334 2.961 1.00 0.00 C ATOM 618 O ALA A 42 7.107 11.349 3.259 1.00 0.00 O ATOM 619 CB ALA A 42 7.078 8.567 4.603 1.00 0.00 C ATOM 0 H ALA A 42 8.282 7.217 2.936 1.00 0.00 H new ATOM 0 HA ALA A 42 6.099 8.989 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.526 9.323 5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.583 7.602 4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.095 8.500 4.990 1.00 0.00 H new ATOM 625 N LEU A 43 8.976 10.368 2.480 1.00 0.00 N ATOM 626 CA LEU A 43 9.681 11.628 2.269 1.00 0.00 C ATOM 627 C LEU A 43 9.486 12.129 0.842 1.00 0.00 C ATOM 628 O LEU A 43 9.674 13.312 0.557 1.00 0.00 O ATOM 629 CB LEU A 43 11.172 11.455 2.562 1.00 0.00 C ATOM 630 CG LEU A 43 11.618 11.779 3.989 1.00 0.00 C ATOM 631 CD1 LEU A 43 12.776 10.884 4.402 1.00 0.00 C ATOM 632 CD2 LEU A 43 12.007 13.246 4.106 1.00 0.00 C ATOM 0 H LEU A 43 9.512 9.538 2.229 1.00 0.00 H new ATOM 0 HA LEU A 43 9.266 12.368 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.448 10.424 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.733 12.089 1.875 1.00 0.00 H new ATOM 0 HG LEU A 43 10.782 11.591 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.080 11.129 5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.463 9.841 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.616 11.040 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.322 13.459 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.828 13.460 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.151 13.871 3.853 1.00 0.00 H new ATOM 644 N LYS A 44 9.105 11.222 -0.051 1.00 0.00 N ATOM 645 CA LYS A 44 8.880 11.572 -1.449 1.00 0.00 C ATOM 646 C LYS A 44 7.447 12.045 -1.668 1.00 0.00 C ATOM 647 O LYS A 44 7.194 12.937 -2.477 1.00 0.00 O ATOM 648 CB LYS A 44 9.175 10.370 -2.350 1.00 0.00 C ATOM 649 CG LYS A 44 10.405 9.583 -1.931 1.00 0.00 C ATOM 650 CD LYS A 44 11.050 8.885 -3.116 1.00 0.00 C ATOM 651 CE LYS A 44 10.428 7.519 -3.364 1.00 0.00 C ATOM 652 NZ LYS A 44 10.476 7.141 -4.804 1.00 0.00 N ATOM 0 H LYS A 44 8.945 10.239 0.168 1.00 0.00 H new ATOM 0 HA LYS A 44 9.556 12.387 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.311 9.705 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.308 10.718 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.127 10.254 -1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.127 8.844 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.941 9.503 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.119 8.772 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.953 6.768 -2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.392 7.524 -3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.043 6.204 -4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.953 7.844 -5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.466 7.111 -5.122 1.00 0.00 H new ATOM 666 N TYR A 45 6.512 11.443 -0.940 1.00 0.00 N ATOM 667 CA TYR A 45 5.104 11.802 -1.056 1.00 0.00 C ATOM 668 C TYR A 45 4.576 12.367 0.259 1.00 0.00 C ATOM 669 O TYR A 45 3.505 11.983 0.728 1.00 0.00 O ATOM 670 CB TYR A 45 4.277 10.583 -1.468 1.00 0.00 C ATOM 671 CG TYR A 45 4.838 9.848 -2.665 1.00 0.00 C ATOM 672 CD1 TYR A 45 6.029 9.139 -2.573 1.00 0.00 C ATOM 673 CD2 TYR A 45 4.176 9.863 -3.887 1.00 0.00 C ATOM 674 CE1 TYR A 45 6.545 8.466 -3.664 1.00 0.00 C ATOM 675 CE2 TYR A 45 4.684 9.192 -4.982 1.00 0.00 C ATOM 676 CZ TYR A 45 5.869 8.495 -4.866 1.00 0.00 C ATOM 677 OH TYR A 45 6.379 7.827 -5.955 1.00 0.00 O ATOM 0 H TYR A 45 6.704 10.704 -0.264 1.00 0.00 H new ATOM 0 HA TYR A 45 5.014 12.570 -1.824 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.215 9.894 -0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.260 10.903 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.561 9.113 -1.633 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.249 10.409 -3.982 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.473 7.920 -3.576 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.156 9.213 -5.924 1.00 0.00 H new ATOM 0 HH TYR A 45 5.781 7.947 -6.722 1.00 0.00 H new ATOM 687 N HIS A 46 5.337 13.284 0.849 1.00 0.00 N ATOM 688 CA HIS A 46 4.947 13.905 2.110 1.00 0.00 C ATOM 689 C HIS A 46 3.902 14.992 1.880 1.00 0.00 C ATOM 690 O HIS A 46 3.967 15.755 0.915 1.00 0.00 O ATOM 691 CB HIS A 46 6.170 14.496 2.812 1.00 0.00 C ATOM 692 CG HIS A 46 6.054 14.513 4.305 1.00 0.00 C ATOM 693 ND1 HIS A 46 5.545 15.584 5.008 1.00 0.00 N ATOM 694 CD2 HIS A 46 6.384 13.580 5.229 1.00 0.00 C ATOM 695 CE1 HIS A 46 5.568 15.310 6.301 1.00 0.00 C ATOM 696 NE2 HIS A 46 6.072 14.100 6.461 1.00 0.00 N ATOM 0 H HIS A 46 6.227 13.613 0.474 1.00 0.00 H new ATOM 0 HA HIS A 46 4.510 13.135 2.746 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.053 13.922 2.531 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.326 15.514 2.456 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.813 12.608 5.034 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.232 15.964 7.092 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.208 13.628 7.355 1.00 0.00 H new ATOM 704 N PRO A 47 2.915 15.067 2.785 1.00 0.00 N ATOM 705 CA PRO A 47 1.838 16.058 2.701 1.00 0.00 C ATOM 706 C PRO A 47 2.330 17.474 2.977 1.00 0.00 C ATOM 707 O PRO A 47 1.682 18.451 2.601 1.00 0.00 O ATOM 708 CB PRO A 47 0.860 15.610 3.790 1.00 0.00 C ATOM 709 CG PRO A 47 1.697 14.859 4.767 1.00 0.00 C ATOM 710 CD PRO A 47 2.775 14.190 3.960 1.00 0.00 C ATOM 0 HA PRO A 47 1.399 16.100 1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.373 16.464 4.260 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.071 14.980 3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.126 15.531 5.511 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.101 14.124 5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.708 14.115 4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.493 13.177 3.674 1.00 0.00 H new ATOM 718 N ASP A 48 3.479 17.579 3.635 1.00 0.00 N ATOM 719 CA ASP A 48 4.060 18.877 3.959 1.00 0.00 C ATOM 720 C ASP A 48 4.945 19.376 2.822 1.00 0.00 C ATOM 721 O ASP A 48 5.106 20.581 2.629 1.00 0.00 O ATOM 722 CB ASP A 48 4.872 18.787 5.252 1.00 0.00 C ATOM 723 CG ASP A 48 5.336 20.146 5.739 1.00 0.00 C ATOM 724 OD1 ASP A 48 6.309 20.680 5.168 1.00 0.00 O ATOM 725 OD2 ASP A 48 4.727 20.675 6.693 1.00 0.00 O ATOM 0 H ASP A 48 4.027 16.780 3.955 1.00 0.00 H new ATOM 0 HA ASP A 48 3.245 19.587 4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.267 18.314 6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.739 18.147 5.089 1.00 0.00 H new ATOM 730 N LYS A 49 5.518 18.441 2.071 1.00 0.00 N ATOM 731 CA LYS A 49 6.387 18.785 0.952 1.00 0.00 C ATOM 732 C LYS A 49 5.569 19.245 -0.251 1.00 0.00 C ATOM 733 O LYS A 49 5.940 20.195 -0.939 1.00 0.00 O ATOM 734 CB LYS A 49 7.252 17.584 0.564 1.00 0.00 C ATOM 735 CG LYS A 49 8.101 17.051 1.705 1.00 0.00 C ATOM 736 CD LYS A 49 9.372 17.865 1.881 1.00 0.00 C ATOM 737 CE LYS A 49 10.379 17.571 0.779 1.00 0.00 C ATOM 738 NZ LYS A 49 11.628 18.364 0.943 1.00 0.00 N ATOM 0 H LYS A 49 5.396 17.439 2.217 1.00 0.00 H new ATOM 0 HA LYS A 49 7.033 19.605 1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.607 16.785 0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.905 17.869 -0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.524 17.071 2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.358 16.009 1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.128 18.927 1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.817 17.642 2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.621 16.508 0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.932 17.793 -0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.288 18.135 0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.401 19.379 0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.068 18.133 1.856 1.00 0.00 H new ATOM 752 N ASN A 50 4.454 18.566 -0.498 1.00 0.00 N ATOM 753 CA ASN A 50 3.583 18.906 -1.617 1.00 0.00 C ATOM 754 C ASN A 50 2.354 19.671 -1.137 1.00 0.00 C ATOM 755 O ASN A 50 1.591 19.202 -0.292 1.00 0.00 O ATOM 756 CB ASN A 50 3.152 17.639 -2.359 1.00 0.00 C ATOM 757 CG ASN A 50 4.329 16.758 -2.730 1.00 0.00 C ATOM 758 OD1 ASN A 50 4.750 16.720 -3.886 1.00 0.00 O ATOM 759 ND2 ASN A 50 4.865 16.043 -1.748 1.00 0.00 N ATOM 0 H ASN A 50 4.132 17.777 0.062 1.00 0.00 H new ATOM 0 HA ASN A 50 4.143 19.545 -2.299 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.461 17.073 -1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.611 17.917 -3.263 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.659 15.431 -1.937 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.483 16.106 -0.804 1.00 0.00 H new ATOM 766 N PRO A 51 2.155 20.878 -1.688 1.00 0.00 N ATOM 767 CA PRO A 51 1.019 21.733 -1.332 1.00 0.00 C ATOM 768 C PRO A 51 -0.307 21.176 -1.837 1.00 0.00 C ATOM 769 O PRO A 51 -0.617 21.266 -3.025 1.00 0.00 O ATOM 770 CB PRO A 51 1.342 23.059 -2.026 1.00 0.00 C ATOM 771 CG PRO A 51 2.223 22.683 -3.168 1.00 0.00 C ATOM 772 CD PRO A 51 3.024 21.500 -2.701 1.00 0.00 C ATOM 0 HA PRO A 51 0.897 21.820 -0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.436 23.556 -2.372 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.845 23.749 -1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.633 22.431 -4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.875 23.511 -3.447 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.242 20.814 -3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.981 21.805 -2.277 1.00 0.00 H new ATOM 780 N ASP A 52 -1.086 20.600 -0.928 1.00 0.00 N ATOM 781 CA ASP A 52 -2.381 20.029 -1.282 1.00 0.00 C ATOM 782 C ASP A 52 -2.344 19.425 -2.683 1.00 0.00 C ATOM 783 O ASP A 52 -3.187 19.732 -3.524 1.00 0.00 O ATOM 784 CB ASP A 52 -3.472 21.098 -1.203 1.00 0.00 C ATOM 785 CG ASP A 52 -3.832 21.454 0.226 1.00 0.00 C ATOM 786 OD1 ASP A 52 -4.715 20.784 0.799 1.00 0.00 O ATOM 787 OD2 ASP A 52 -3.230 22.404 0.770 1.00 0.00 O ATOM 0 H ASP A 52 -0.844 20.516 0.059 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.608 19.236 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.136 21.995 -1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.363 20.743 -1.721 1.00 0.00 H new ATOM 792 N ASN A 53 -1.360 18.565 -2.924 1.00 0.00 N ATOM 793 CA ASN A 53 -1.212 17.919 -4.223 1.00 0.00 C ATOM 794 C ASN A 53 -2.135 16.710 -4.338 1.00 0.00 C ATOM 795 O ASN A 53 -2.119 15.804 -3.504 1.00 0.00 O ATOM 796 CB ASN A 53 0.241 17.488 -4.439 1.00 0.00 C ATOM 797 CG ASN A 53 1.055 18.542 -5.163 1.00 0.00 C ATOM 798 OD1 ASN A 53 1.898 18.104 -6.092 1.00 0.00 O flip ATOM 799 ND2 ASN A 53 0.928 19.736 -4.891 1.00 0.00 N flip ATOM 0 H ASN A 53 -0.654 18.299 -2.238 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.489 18.639 -4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.702 17.277 -3.474 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.261 16.561 -5.012 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.268 20.027 -4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.483 20.434 -5.387 1.00 0.00 H new ATOM 806 N PRO A 54 -2.959 16.693 -5.396 1.00 0.00 N ATOM 807 CA PRO A 54 -3.904 15.601 -5.646 1.00 0.00 C ATOM 808 C PRO A 54 -3.203 14.308 -6.048 1.00 0.00 C ATOM 809 O PRO A 54 -3.695 13.214 -5.775 1.00 0.00 O ATOM 810 CB PRO A 54 -4.759 16.128 -6.801 1.00 0.00 C ATOM 811 CG PRO A 54 -3.886 17.114 -7.498 1.00 0.00 C ATOM 812 CD PRO A 54 -3.032 17.739 -6.430 1.00 0.00 C ATOM 0 HA PRO A 54 -4.478 15.347 -4.755 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.060 15.322 -7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.673 16.597 -6.436 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.271 16.625 -8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.482 17.868 -8.012 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.043 18.000 -6.808 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.478 18.655 -6.044 1.00 0.00 H new ATOM 820 N GLU A 55 -2.052 14.443 -6.699 1.00 0.00 N ATOM 821 CA GLU A 55 -1.284 13.284 -7.139 1.00 0.00 C ATOM 822 C GLU A 55 -0.387 12.767 -6.017 1.00 0.00 C ATOM 823 O GLU A 55 -0.200 11.561 -5.864 1.00 0.00 O ATOM 824 CB GLU A 55 -0.435 13.641 -8.362 1.00 0.00 C ATOM 825 CG GLU A 55 0.603 14.716 -8.089 1.00 0.00 C ATOM 826 CD GLU A 55 1.285 15.202 -9.353 1.00 0.00 C ATOM 827 OE1 GLU A 55 0.717 16.084 -10.031 1.00 0.00 O ATOM 828 OE2 GLU A 55 2.386 14.701 -9.664 1.00 0.00 O ATOM 0 H GLU A 55 -1.631 15.342 -6.933 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.987 12.497 -7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.069 12.743 -8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.092 13.977 -9.164 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.125 15.560 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.354 14.325 -7.403 1.00 0.00 H new ATOM 835 N ALA A 56 0.165 13.690 -5.237 1.00 0.00 N ATOM 836 CA ALA A 56 1.041 13.329 -4.129 1.00 0.00 C ATOM 837 C ALA A 56 0.253 12.681 -2.995 1.00 0.00 C ATOM 838 O ALA A 56 0.763 11.812 -2.290 1.00 0.00 O ATOM 839 CB ALA A 56 1.785 14.556 -3.623 1.00 0.00 C ATOM 0 H ALA A 56 0.021 14.693 -5.352 1.00 0.00 H new ATOM 0 HA ALA A 56 1.767 12.602 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.435 14.272 -2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.386 14.975 -4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.067 15.301 -3.281 1.00 0.00 H new ATOM 845 N ALA A 57 -0.993 13.112 -2.825 1.00 0.00 N ATOM 846 CA ALA A 57 -1.852 12.572 -1.778 1.00 0.00 C ATOM 847 C ALA A 57 -2.314 11.160 -2.121 1.00 0.00 C ATOM 848 O ALA A 57 -2.080 10.219 -1.362 1.00 0.00 O ATOM 849 CB ALA A 57 -3.050 13.483 -1.557 1.00 0.00 C ATOM 0 H ALA A 57 -1.430 13.833 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.273 12.522 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.683 13.068 -0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.704 14.473 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.622 13.562 -2.481 1.00 0.00 H new ATOM 855 N ASP A 58 -2.972 11.020 -3.266 1.00 0.00 N ATOM 856 CA ASP A 58 -3.467 9.721 -3.710 1.00 0.00 C ATOM 857 C ASP A 58 -2.398 8.646 -3.544 1.00 0.00 C ATOM 858 O ASP A 58 -2.706 7.483 -3.286 1.00 0.00 O ATOM 859 CB ASP A 58 -3.913 9.794 -5.171 1.00 0.00 C ATOM 860 CG ASP A 58 -4.941 8.734 -5.516 1.00 0.00 C ATOM 861 OD1 ASP A 58 -4.881 7.636 -4.925 1.00 0.00 O ATOM 862 OD2 ASP A 58 -5.805 9.003 -6.377 1.00 0.00 O ATOM 0 H ASP A 58 -3.175 11.789 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.323 9.455 -3.090 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.331 10.780 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.044 9.678 -5.819 1.00 0.00 H new ATOM 867 N LYS A 59 -1.138 9.043 -3.694 1.00 0.00 N ATOM 868 CA LYS A 59 -0.022 8.115 -3.561 1.00 0.00 C ATOM 869 C LYS A 59 0.346 7.913 -2.095 1.00 0.00 C ATOM 870 O LYS A 59 0.281 6.799 -1.575 1.00 0.00 O ATOM 871 CB LYS A 59 1.192 8.630 -4.337 1.00 0.00 C ATOM 872 CG LYS A 59 1.116 8.368 -5.831 1.00 0.00 C ATOM 873 CD LYS A 59 1.363 6.904 -6.154 1.00 0.00 C ATOM 874 CE LYS A 59 0.683 6.496 -7.451 1.00 0.00 C ATOM 875 NZ LYS A 59 0.846 5.043 -7.730 1.00 0.00 N ATOM 0 H LYS A 59 -0.865 10.002 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.329 7.155 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.291 9.702 -4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.092 8.161 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.135 8.663 -6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.852 8.985 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.435 6.724 -6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.994 6.283 -5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.378 6.738 -7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.100 7.073 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.368 4.805 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.858 4.816 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.426 4.491 -6.955 1.00 0.00 H new ATOM 889 N PHE A 60 0.732 8.999 -1.432 1.00 0.00 N ATOM 890 CA PHE A 60 1.110 8.941 -0.025 1.00 0.00 C ATOM 891 C PHE A 60 0.183 8.009 0.750 1.00 0.00 C ATOM 892 O PHE A 60 0.638 7.108 1.455 1.00 0.00 O ATOM 893 CB PHE A 60 1.075 10.341 0.592 1.00 0.00 C ATOM 894 CG PHE A 60 1.600 10.389 1.999 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.901 10.004 2.280 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.793 10.820 3.039 1.00 0.00 C ATOM 897 CE1 PHE A 60 3.387 10.047 3.573 1.00 0.00 C ATOM 898 CE2 PHE A 60 1.273 10.865 4.335 1.00 0.00 C ATOM 899 CZ PHE A 60 2.572 10.479 4.602 1.00 0.00 C ATOM 0 H PHE A 60 0.791 9.929 -1.847 1.00 0.00 H new ATOM 0 HA PHE A 60 2.125 8.549 0.037 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.661 11.018 -0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.049 10.708 0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.543 9.666 1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.223 11.124 2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.403 9.743 3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.633 11.201 5.137 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.950 10.515 5.613 1.00 0.00 H new ATOM 909 N LYS A 61 -1.120 8.232 0.613 1.00 0.00 N ATOM 910 CA LYS A 61 -2.112 7.412 1.298 1.00 0.00 C ATOM 911 C LYS A 61 -1.925 5.936 0.962 1.00 0.00 C ATOM 912 O LYS A 61 -2.129 5.068 1.810 1.00 0.00 O ATOM 913 CB LYS A 61 -3.525 7.859 0.914 1.00 0.00 C ATOM 914 CG LYS A 61 -3.911 7.498 -0.510 1.00 0.00 C ATOM 915 CD LYS A 61 -5.411 7.608 -0.726 1.00 0.00 C ATOM 916 CE LYS A 61 -5.877 9.055 -0.665 1.00 0.00 C ATOM 917 NZ LYS A 61 -7.342 9.155 -0.416 1.00 0.00 N ATOM 0 H LYS A 61 -1.513 8.974 0.034 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.975 7.541 2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.240 7.406 1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.602 8.939 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.393 8.157 -1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.584 6.482 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.673 7.181 -1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.933 7.024 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.338 9.577 0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.633 9.555 -1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.621 10.156 -0.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.858 8.678 -1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.572 8.700 0.491 1.00 0.00 H new ATOM 931 N GLU A 62 -1.536 5.661 -0.279 1.00 0.00 N ATOM 932 CA GLU A 62 -1.321 4.290 -0.725 1.00 0.00 C ATOM 933 C GLU A 62 -0.066 3.700 -0.087 1.00 0.00 C ATOM 934 O GLU A 62 -0.009 2.505 0.206 1.00 0.00 O ATOM 935 CB GLU A 62 -1.204 4.238 -2.249 1.00 0.00 C ATOM 936 CG GLU A 62 -2.532 4.025 -2.955 1.00 0.00 C ATOM 937 CD GLU A 62 -3.253 2.779 -2.479 1.00 0.00 C ATOM 938 OE1 GLU A 62 -2.977 1.689 -3.022 1.00 0.00 O ATOM 939 OE2 GLU A 62 -4.093 2.895 -1.562 1.00 0.00 O ATOM 0 H GLU A 62 -1.364 6.369 -0.993 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.180 3.695 -0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.759 5.168 -2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.522 3.434 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.170 4.894 -2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.361 3.953 -4.029 1.00 0.00 H new ATOM 946 N ILE A 63 0.936 4.546 0.125 1.00 0.00 N ATOM 947 CA ILE A 63 2.189 4.110 0.729 1.00 0.00 C ATOM 948 C ILE A 63 1.986 3.704 2.185 1.00 0.00 C ATOM 949 O ILE A 63 2.291 2.578 2.574 1.00 0.00 O ATOM 950 CB ILE A 63 3.261 5.213 0.660 1.00 0.00 C ATOM 951 CG1 ILE A 63 3.258 5.872 -0.721 1.00 0.00 C ATOM 952 CG2 ILE A 63 4.634 4.638 0.976 1.00 0.00 C ATOM 953 CD1 ILE A 63 4.385 6.861 -0.921 1.00 0.00 C ATOM 0 H ILE A 63 0.905 5.537 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 63 2.531 3.247 0.158 1.00 0.00 H new ATOM 0 HB ILE A 63 3.027 5.974 1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.326 5.097 -1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.307 6.383 -0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.381 5.430 0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.628 4.211 1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.878 3.860 0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.320 7.289 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.307 7.657 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.341 6.351 -0.806 1.00 0.00 H new ATOM 965 N ASN A 64 1.467 4.630 2.985 1.00 0.00 N ATOM 966 CA ASN A 64 1.222 4.369 4.398 1.00 0.00 C ATOM 967 C ASN A 64 0.274 3.186 4.576 1.00 0.00 C ATOM 968 O ASN A 64 0.539 2.279 5.363 1.00 0.00 O ATOM 969 CB ASN A 64 0.637 5.611 5.074 1.00 0.00 C ATOM 970 CG ASN A 64 -0.878 5.636 5.026 1.00 0.00 C ATOM 971 OD1 ASN A 64 -1.543 4.775 5.600 1.00 0.00 O ATOM 972 ND2 ASN A 64 -1.431 6.628 4.337 1.00 0.00 N ATOM 0 H ASN A 64 1.208 5.568 2.678 1.00 0.00 H new ATOM 0 HA ASN A 64 2.175 4.123 4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.965 5.645 6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.028 6.504 4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.446 6.697 4.268 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.840 7.320 3.877 1.00 0.00 H new ATOM 979 N ASN A 65 -0.831 3.204 3.838 1.00 0.00 N ATOM 980 CA ASN A 65 -1.818 2.133 3.914 1.00 0.00 C ATOM 981 C ASN A 65 -1.181 0.782 3.603 1.00 0.00 C ATOM 982 O ASN A 65 -1.083 -0.084 4.471 1.00 0.00 O ATOM 983 CB ASN A 65 -2.969 2.402 2.943 1.00 0.00 C ATOM 984 CG ASN A 65 -3.927 1.231 2.842 1.00 0.00 C ATOM 985 OD1 ASN A 65 -4.788 1.043 3.701 1.00 0.00 O ATOM 986 ND2 ASN A 65 -3.780 0.436 1.788 1.00 0.00 N ATOM 0 H ASN A 65 -1.065 3.948 3.181 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.208 2.105 4.931 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.515 3.288 3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.563 2.622 1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.395 -0.369 1.666 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.052 0.630 1.100 1.00 0.00 H new ATOM 993 N ALA A 66 -0.748 0.611 2.358 1.00 0.00 N ATOM 994 CA ALA A 66 -0.118 -0.632 1.932 1.00 0.00 C ATOM 995 C ALA A 66 0.932 -1.089 2.940 1.00 0.00 C ATOM 996 O ALA A 66 0.959 -2.254 3.339 1.00 0.00 O ATOM 997 CB ALA A 66 0.508 -0.462 0.556 1.00 0.00 C ATOM 0 H ALA A 66 -0.822 1.318 1.627 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.889 -1.400 1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.975 -1.398 0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.264 -0.190 -0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.262 0.324 0.594 1.00 0.00 H new ATOM 1003 N HIS A 67 1.795 -0.164 3.349 1.00 0.00 N ATOM 1004 CA HIS A 67 2.847 -0.472 4.311 1.00 0.00 C ATOM 1005 C HIS A 67 2.252 -0.974 5.624 1.00 0.00 C ATOM 1006 O HIS A 67 2.679 -1.998 6.158 1.00 0.00 O ATOM 1007 CB HIS A 67 3.709 0.764 4.569 1.00 0.00 C ATOM 1008 CG HIS A 67 4.386 0.754 5.905 1.00 0.00 C ATOM 1009 ND1 HIS A 67 4.022 1.591 6.939 1.00 0.00 N ATOM 1010 CD2 HIS A 67 5.409 0.002 6.374 1.00 0.00 C ATOM 1011 CE1 HIS A 67 4.792 1.355 7.986 1.00 0.00 C ATOM 1012 NE2 HIS A 67 5.642 0.394 7.669 1.00 0.00 N ATOM 0 H HIS A 67 1.786 0.805 3.029 1.00 0.00 H new ATOM 0 HA HIS A 67 3.471 -1.260 3.890 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.466 0.839 3.788 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.085 1.654 4.494 1.00 0.00 H new ATOM 0 HD1 HIS A 67 3.275 2.284 6.901 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.943 -0.764 5.831 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.736 1.861 8.939 1.00 0.00 H new ATOM 1020 N ALA A 68 1.266 -0.247 6.138 1.00 0.00 N ATOM 1021 CA ALA A 68 0.613 -0.619 7.387 1.00 0.00 C ATOM 1022 C ALA A 68 -0.022 -2.002 7.283 1.00 0.00 C ATOM 1023 O ALA A 68 0.202 -2.863 8.135 1.00 0.00 O ATOM 1024 CB ALA A 68 -0.434 0.418 7.765 1.00 0.00 C ATOM 0 H ALA A 68 0.902 0.603 5.709 1.00 0.00 H new ATOM 0 HA ALA A 68 1.372 -0.654 8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.913 0.127 8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.044 1.389 7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.184 0.482 6.977 1.00 0.00 H new ATOM 1030 N ILE A 69 -0.813 -2.207 6.236 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.480 -3.486 6.022 1.00 0.00 C ATOM 1032 C ILE A 69 -0.476 -4.633 6.009 1.00 0.00 C ATOM 1033 O ILE A 69 -0.813 -5.771 6.339 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.270 -3.494 4.700 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.334 -2.395 4.709 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -2.908 -4.856 4.473 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -3.993 -2.180 3.365 1.00 0.00 C ATOM 0 H ILE A 69 -1.008 -1.505 5.523 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.174 -3.624 6.851 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.580 -3.297 3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.099 -2.647 5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.877 -1.460 5.034 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.463 -4.846 3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.131 -5.619 4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.588 -5.081 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.736 -1.387 3.447 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.239 -1.896 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.480 -3.102 3.047 1.00 0.00 H new ATOM 1049 N LEU A 70 0.759 -4.328 5.627 1.00 0.00 N ATOM 1050 CA LEU A 70 1.814 -5.333 5.572 1.00 0.00 C ATOM 1051 C LEU A 70 2.465 -5.515 6.940 1.00 0.00 C ATOM 1052 O LEU A 70 2.396 -6.590 7.535 1.00 0.00 O ATOM 1053 CB LEU A 70 2.871 -4.937 4.541 1.00 0.00 C ATOM 1054 CG LEU A 70 2.514 -5.201 3.078 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.679 -4.837 2.169 1.00 0.00 C ATOM 1056 CD2 LEU A 70 2.117 -6.657 2.881 1.00 0.00 C ATOM 0 H LEU A 70 1.054 -3.392 5.351 1.00 0.00 H new ATOM 0 HA LEU A 70 1.363 -6.280 5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.082 -3.874 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.793 -5.472 4.771 1.00 0.00 H new ATOM 0 HG LEU A 70 1.663 -4.573 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.406 -5.032 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.918 -3.780 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.549 -5.438 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.866 -6.827 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.948 -7.302 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.252 -6.886 3.503 1.00 0.00 H new ATOM 1068 N THR A 71 3.095 -4.454 7.435 1.00 0.00 N ATOM 1069 CA THR A 71 3.757 -4.495 8.733 1.00 0.00 C ATOM 1070 C THR A 71 2.833 -5.063 9.804 1.00 0.00 C ATOM 1071 O THR A 71 3.285 -5.709 10.749 1.00 0.00 O ATOM 1072 CB THR A 71 4.229 -3.095 9.167 1.00 0.00 C ATOM 1073 OG1 THR A 71 4.417 -3.059 10.587 1.00 0.00 O ATOM 1074 CG2 THR A 71 3.220 -2.032 8.758 1.00 0.00 C ATOM 0 H THR A 71 3.161 -3.556 6.956 1.00 0.00 H new ATOM 0 HA THR A 71 4.625 -5.145 8.625 1.00 0.00 H new ATOM 0 HB THR A 71 5.176 -2.886 8.670 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.719 -2.166 10.855 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.575 -1.052 9.075 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.101 -2.041 7.675 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.260 -2.240 9.231 1.00 0.00 H new ATOM 1082 N ASP A 72 1.537 -4.817 9.650 1.00 0.00 N ATOM 1083 CA ASP A 72 0.548 -5.306 10.604 1.00 0.00 C ATOM 1084 C ASP A 72 0.240 -6.780 10.360 1.00 0.00 C ATOM 1085 O ASP A 72 -0.216 -7.159 9.282 1.00 0.00 O ATOM 1086 CB ASP A 72 -0.737 -4.481 10.507 1.00 0.00 C ATOM 1087 CG ASP A 72 -1.740 -4.844 11.584 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -1.617 -5.942 12.165 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -2.649 -4.029 11.846 1.00 0.00 O ATOM 0 H ASP A 72 1.147 -4.282 8.874 1.00 0.00 H new ATOM 0 HA ASP A 72 0.963 -5.201 11.606 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.492 -3.422 10.585 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.190 -4.632 9.527 1.00 0.00 H new ATOM 1094 N ALA A 73 0.493 -7.607 11.370 1.00 0.00 N ATOM 1095 CA ALA A 73 0.242 -9.039 11.266 1.00 0.00 C ATOM 1096 C ALA A 73 -1.252 -9.329 11.176 1.00 0.00 C ATOM 1097 O ALA A 73 -1.690 -10.142 10.360 1.00 0.00 O ATOM 1098 CB ALA A 73 0.853 -9.769 12.452 1.00 0.00 C ATOM 0 H ALA A 73 0.872 -7.309 12.269 1.00 0.00 H new ATOM 0 HA ALA A 73 0.711 -9.400 10.351 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.658 -10.838 12.361 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.929 -9.597 12.470 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.410 -9.396 13.376 1.00 0.00 H new ATOM 1104 N THR A 74 -2.033 -8.661 12.019 1.00 0.00 N ATOM 1105 CA THR A 74 -3.478 -8.848 12.036 1.00 0.00 C ATOM 1106 C THR A 74 -4.066 -8.714 10.636 1.00 0.00 C ATOM 1107 O THR A 74 -4.794 -9.591 10.170 1.00 0.00 O ATOM 1108 CB THR A 74 -4.165 -7.834 12.969 1.00 0.00 C ATOM 1109 OG1 THR A 74 -3.683 -7.995 14.308 1.00 0.00 O ATOM 1110 CG2 THR A 74 -5.676 -8.012 12.944 1.00 0.00 C ATOM 0 H THR A 74 -1.688 -7.985 12.700 1.00 0.00 H new ATOM 0 HA THR A 74 -3.662 -9.855 12.409 1.00 0.00 H new ATOM 0 HB THR A 74 -3.927 -6.831 12.616 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.124 -7.345 14.895 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.139 -7.285 13.611 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.044 -7.860 11.929 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.929 -9.019 13.274 1.00 0.00 H new ATOM 1118 N LYS A 75 -3.746 -7.610 9.969 1.00 0.00 N ATOM 1119 CA LYS A 75 -4.241 -7.361 8.620 1.00 0.00 C ATOM 1120 C LYS A 75 -3.512 -8.233 7.603 1.00 0.00 C ATOM 1121 O LYS A 75 -4.138 -8.863 6.750 1.00 0.00 O ATOM 1122 CB LYS A 75 -4.070 -5.884 8.257 1.00 0.00 C ATOM 1123 CG LYS A 75 -4.848 -4.942 9.159 1.00 0.00 C ATOM 1124 CD LYS A 75 -5.265 -3.681 8.420 1.00 0.00 C ATOM 1125 CE LYS A 75 -6.617 -3.853 7.745 1.00 0.00 C ATOM 1126 NZ LYS A 75 -7.741 -3.724 8.713 1.00 0.00 N ATOM 0 H LYS A 75 -3.146 -6.874 10.341 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.301 -7.615 8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.012 -5.627 8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.389 -5.733 7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.733 -5.451 9.541 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.237 -4.675 10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.310 -2.846 9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.513 -3.431 7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.728 -3.107 6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.661 -4.831 7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.594 -4.168 8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.487 -4.196 9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.928 -2.717 8.896 1.00 0.00 H new ATOM 1140 N ARG A 76 -2.187 -8.267 7.700 1.00 0.00 N ATOM 1141 CA ARG A 76 -1.374 -9.062 6.788 1.00 0.00 C ATOM 1142 C ARG A 76 -1.898 -10.493 6.700 1.00 0.00 C ATOM 1143 O ARG A 76 -1.885 -11.104 5.632 1.00 0.00 O ATOM 1144 CB ARG A 76 0.085 -9.070 7.247 1.00 0.00 C ATOM 1145 CG ARG A 76 0.991 -9.931 6.382 1.00 0.00 C ATOM 1146 CD ARG A 76 1.590 -9.131 5.236 1.00 0.00 C ATOM 1147 NE ARG A 76 2.733 -9.811 4.632 1.00 0.00 N ATOM 1148 CZ ARG A 76 2.627 -10.902 3.882 1.00 0.00 C ATOM 1149 NH1 ARG A 76 1.435 -11.433 3.644 1.00 0.00 N ATOM 1150 NH2 ARG A 76 3.713 -11.464 3.367 1.00 0.00 N ATOM 0 H ARG A 76 -1.654 -7.753 8.401 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.434 -8.609 5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.462 -8.047 7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.132 -9.428 8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.791 -10.348 6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.424 -10.772 5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.827 -8.959 4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.902 -8.153 5.601 1.00 0.00 H new ATOM 0 HE ARG A 76 3.664 -9.427 4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.598 -11.003 4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.356 -12.271 3.068 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.631 -11.058 3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.629 -12.302 2.791 1.00 0.00 H new ATOM 1164 N ASN A 77 -2.359 -11.020 7.830 1.00 0.00 N ATOM 1165 CA ASN A 77 -2.886 -12.378 7.880 1.00 0.00 C ATOM 1166 C ASN A 77 -4.225 -12.469 7.153 1.00 0.00 C ATOM 1167 O ASN A 77 -4.491 -13.438 6.441 1.00 0.00 O ATOM 1168 CB ASN A 77 -3.050 -12.831 9.332 1.00 0.00 C ATOM 1169 CG ASN A 77 -3.239 -14.331 9.453 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -2.648 -15.105 8.700 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -4.069 -14.748 10.403 1.00 0.00 N ATOM 0 H ASN A 77 -2.378 -10.527 8.723 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.175 -13.035 7.380 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.172 -12.531 9.904 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.907 -12.323 9.773 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.238 -15.746 10.531 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.537 -14.070 11.004 1.00 0.00 H new ATOM 1178 N ILE A 78 -5.062 -11.455 7.338 1.00 0.00 N ATOM 1179 CA ILE A 78 -6.372 -11.419 6.699 1.00 0.00 C ATOM 1180 C ILE A 78 -6.241 -11.319 5.183 1.00 0.00 C ATOM 1181 O ILE A 78 -7.001 -11.943 4.442 1.00 0.00 O ATOM 1182 CB ILE A 78 -7.216 -10.237 7.210 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.396 -10.327 8.726 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -8.567 -10.210 6.511 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -7.823 -9.023 9.363 1.00 0.00 C ATOM 0 H ILE A 78 -4.857 -10.647 7.925 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.875 -12.351 6.957 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.691 -9.310 6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.139 -11.092 8.951 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.458 -10.652 9.176 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.152 -9.369 6.883 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.419 -10.102 5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.099 -11.140 6.712 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.931 -9.162 10.439 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.069 -8.260 9.170 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.777 -8.707 8.940 1.00 0.00 H new ATOM 1197 N TYR A 79 -5.272 -10.533 4.729 1.00 0.00 N ATOM 1198 CA TYR A 79 -5.041 -10.351 3.301 1.00 0.00 C ATOM 1199 C TYR A 79 -4.518 -11.635 2.665 1.00 0.00 C ATOM 1200 O TYR A 79 -5.136 -12.187 1.755 1.00 0.00 O ATOM 1201 CB TYR A 79 -4.049 -9.211 3.065 1.00 0.00 C ATOM 1202 CG TYR A 79 -3.907 -8.823 1.610 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -4.886 -8.070 0.973 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -2.796 -9.211 0.873 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -4.761 -7.714 -0.356 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -2.662 -8.858 -0.456 1.00 0.00 C ATOM 1207 CZ TYR A 79 -3.647 -8.110 -1.066 1.00 0.00 C ATOM 1208 OH TYR A 79 -3.518 -7.758 -2.390 1.00 0.00 O ATOM 0 H TYR A 79 -4.633 -10.011 5.329 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.993 -10.098 2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.368 -8.339 3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.073 -9.504 3.451 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.759 -7.758 1.526 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.024 -9.799 1.347 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.531 -7.129 -0.836 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.790 -9.166 -1.014 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.973 -6.904 -2.547 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.374 -12.105 3.152 1.00 0.00 N ATOM 1219 CA ASP A 80 -2.767 -13.325 2.634 1.00 0.00 C ATOM 1220 C ASP A 80 -3.813 -14.422 2.461 1.00 0.00 C ATOM 1221 O ASP A 80 -3.855 -15.098 1.433 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.657 -13.805 3.571 1.00 0.00 C ATOM 1223 CG ASP A 80 -0.798 -14.886 2.945 1.00 0.00 C ATOM 1224 OD1 ASP A 80 0.184 -14.538 2.257 1.00 0.00 O ATOM 1225 OD2 ASP A 80 -1.108 -16.080 3.141 1.00 0.00 O ATOM 0 H ASP A 80 -2.849 -11.659 3.904 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.337 -13.101 1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.027 -12.959 3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.101 -14.185 4.491 1.00 0.00 H new ATOM 1230 N LYS A 81 -4.656 -14.594 3.474 1.00 0.00 N ATOM 1231 CA LYS A 81 -5.702 -15.608 3.435 1.00 0.00 C ATOM 1232 C LYS A 81 -6.824 -15.196 2.488 1.00 0.00 C ATOM 1233 O LYS A 81 -7.133 -15.906 1.531 1.00 0.00 O ATOM 1234 CB LYS A 81 -6.266 -15.842 4.839 1.00 0.00 C ATOM 1235 CG LYS A 81 -5.471 -16.847 5.654 1.00 0.00 C ATOM 1236 CD LYS A 81 -6.288 -17.399 6.810 1.00 0.00 C ATOM 1237 CE LYS A 81 -7.159 -18.566 6.371 1.00 0.00 C ATOM 1238 NZ LYS A 81 -6.379 -19.830 6.265 1.00 0.00 N ATOM 0 H LYS A 81 -4.635 -14.043 4.332 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.262 -16.535 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.292 -14.893 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.296 -16.189 4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.150 -17.666 5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.569 -16.372 6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.619 -17.723 7.607 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.917 -16.610 7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.973 -18.700 7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.614 -18.338 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.008 -20.602 5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.618 -19.711 5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.966 -20.062 7.191 1.00 0.00 H new ATOM 1252 N TYR A 82 -7.429 -14.045 2.760 1.00 0.00 N ATOM 1253 CA TYR A 82 -8.518 -13.539 1.931 1.00 0.00 C ATOM 1254 C TYR A 82 -7.997 -12.553 0.890 1.00 0.00 C ATOM 1255 O TYR A 82 -7.980 -12.845 -0.305 1.00 0.00 O ATOM 1256 CB TYR A 82 -9.579 -12.866 2.803 1.00 0.00 C ATOM 1257 CG TYR A 82 -9.963 -13.673 4.022 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -10.217 -15.036 3.925 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -10.073 -13.073 5.270 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -10.569 -15.777 5.036 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -10.423 -13.807 6.387 1.00 0.00 C ATOM 1262 CZ TYR A 82 -10.670 -15.159 6.265 1.00 0.00 C ATOM 1263 OH TYR A 82 -11.020 -15.893 7.375 1.00 0.00 O ATOM 0 H TYR A 82 -7.184 -13.445 3.548 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.968 -14.384 1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.209 -11.892 3.124 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.470 -12.686 2.202 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.138 -15.524 2.965 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.882 -12.015 5.369 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.764 -16.835 4.943 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.503 -13.325 7.350 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.045 -15.307 8.160 1.00 0.00 H new ATOM 1273 N GLY A 83 -7.571 -11.382 1.355 1.00 0.00 N ATOM 1274 CA GLY A 83 -7.055 -10.370 0.452 1.00 0.00 C ATOM 1275 C GLY A 83 -7.890 -9.104 0.462 1.00 0.00 C ATOM 1276 O GLY A 83 -8.103 -8.501 1.514 1.00 0.00 O ATOM 0 H GLY A 83 -7.574 -11.117 2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.030 -10.127 0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.023 -10.773 -0.560 1.00 0.00 H new ATOM 1280 N SER A 84 -8.362 -8.700 -0.712 1.00 0.00 N ATOM 1281 CA SER A 84 -9.173 -7.494 -0.836 1.00 0.00 C ATOM 1282 C SER A 84 -10.489 -7.645 -0.078 1.00 0.00 C ATOM 1283 O SER A 84 -11.001 -6.685 0.498 1.00 0.00 O ATOM 1284 CB SER A 84 -9.452 -7.190 -2.309 1.00 0.00 C ATOM 1285 OG SER A 84 -10.218 -8.222 -2.907 1.00 0.00 O ATOM 0 H SER A 84 -8.197 -9.190 -1.591 1.00 0.00 H new ATOM 0 HA SER A 84 -8.615 -6.665 -0.401 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.984 -6.242 -2.393 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.510 -7.075 -2.845 1.00 0.00 H new ATOM 0 HG SER A 84 -10.384 -8.003 -3.848 1.00 0.00 H new ATOM 1291 N LEU A 85 -11.032 -8.858 -0.085 1.00 0.00 N ATOM 1292 CA LEU A 85 -12.289 -9.137 0.602 1.00 0.00 C ATOM 1293 C LEU A 85 -12.131 -8.983 2.111 1.00 0.00 C ATOM 1294 O LEU A 85 -12.800 -8.160 2.734 1.00 0.00 O ATOM 1295 CB LEU A 85 -12.771 -10.550 0.269 1.00 0.00 C ATOM 1296 CG LEU A 85 -14.285 -10.766 0.296 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -14.784 -10.872 1.728 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -14.997 -9.638 -0.437 1.00 0.00 C ATOM 0 H LEU A 85 -10.622 -9.663 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.031 -8.416 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.404 -10.813 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.312 -11.244 0.973 1.00 0.00 H new ATOM 0 HG LEU A 85 -14.508 -11.703 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.863 -11.025 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -14.298 -11.714 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -14.549 -9.953 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -16.073 -9.808 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -14.766 -8.688 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -14.662 -9.609 -1.474 1.00 0.00 H new ATOM 1310 N GLY A 86 -11.240 -9.780 2.692 1.00 0.00 N ATOM 1311 CA GLY A 86 -11.008 -9.716 4.123 1.00 0.00 C ATOM 1312 C GLY A 86 -10.914 -8.291 4.631 1.00 0.00 C ATOM 1313 O GLY A 86 -11.605 -7.914 5.579 1.00 0.00 O ATOM 0 H GLY A 86 -10.674 -10.469 2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.816 -10.231 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.086 -10.246 4.363 1.00 0.00 H new ATOM 1317 N LEU A 87 -10.055 -7.496 4.002 1.00 0.00 N ATOM 1318 CA LEU A 87 -9.870 -6.104 4.397 1.00 0.00 C ATOM 1319 C LEU A 87 -11.174 -5.323 4.267 1.00 0.00 C ATOM 1320 O LEU A 87 -11.608 -4.659 5.208 1.00 0.00 O ATOM 1321 CB LEU A 87 -8.783 -5.451 3.542 1.00 0.00 C ATOM 1322 CG LEU A 87 -7.377 -6.033 3.683 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -6.460 -5.483 2.601 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -6.813 -5.736 5.065 1.00 0.00 C ATOM 0 H LEU A 87 -9.476 -7.792 3.216 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.561 -6.086 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.080 -5.522 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.742 -4.390 3.790 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.439 -7.115 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.463 -5.909 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.855 -5.748 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.404 -4.398 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.811 -6.158 5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.766 -4.657 5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.457 -6.180 5.824 1.00 0.00 H new ATOM 1336 N TYR A 88 -11.795 -5.410 3.096 1.00 0.00 N ATOM 1337 CA TYR A 88 -13.049 -4.712 2.843 1.00 0.00 C ATOM 1338 C TYR A 88 -14.048 -4.960 3.969 1.00 0.00 C ATOM 1339 O TYR A 88 -14.540 -4.022 4.596 1.00 0.00 O ATOM 1340 CB TYR A 88 -13.646 -5.161 1.508 1.00 0.00 C ATOM 1341 CG TYR A 88 -15.141 -4.951 1.412 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -15.702 -3.698 1.627 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -15.992 -6.006 1.105 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -17.066 -3.502 1.541 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -17.358 -5.819 1.016 1.00 0.00 C ATOM 1346 CZ TYR A 88 -17.890 -4.565 1.235 1.00 0.00 C ATOM 1347 OH TYR A 88 -19.250 -4.374 1.147 1.00 0.00 O ATOM 0 H TYR A 88 -11.450 -5.957 2.307 1.00 0.00 H new ATOM 0 HA TYR A 88 -12.838 -3.644 2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -13.158 -4.616 0.700 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -13.426 -6.218 1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -15.060 -2.863 1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -15.578 -6.989 0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.485 -2.522 1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -18.006 -6.650 0.776 1.00 0.00 H new ATOM 0 HH TYR A 88 -19.686 -5.223 0.923 1.00 0.00 H new ATOM 1357 N VAL A 89 -14.343 -6.232 4.220 1.00 0.00 N ATOM 1358 CA VAL A 89 -15.281 -6.606 5.271 1.00 0.00 C ATOM 1359 C VAL A 89 -14.804 -6.117 6.634 1.00 0.00 C ATOM 1360 O VAL A 89 -15.535 -5.436 7.351 1.00 0.00 O ATOM 1361 CB VAL A 89 -15.482 -8.132 5.327 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.440 -8.504 6.448 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -15.987 -8.652 3.989 1.00 0.00 C ATOM 0 H VAL A 89 -13.946 -7.020 3.709 1.00 0.00 H new ATOM 0 HA VAL A 89 -16.232 -6.130 5.030 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.520 -8.600 5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.570 -9.586 6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.033 -8.166 7.401 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.405 -8.027 6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -16.123 -9.732 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -16.939 -8.178 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.261 -8.419 3.210 1.00 0.00 H new ATOM 1373 N ALA A 90 -13.571 -6.469 6.983 1.00 0.00 N ATOM 1374 CA ALA A 90 -12.994 -6.064 8.259 1.00 0.00 C ATOM 1375 C ALA A 90 -13.100 -4.555 8.456 1.00 0.00 C ATOM 1376 O ALA A 90 -12.952 -4.054 9.569 1.00 0.00 O ATOM 1377 CB ALA A 90 -11.541 -6.508 8.346 1.00 0.00 C ATOM 0 H ALA A 90 -12.953 -7.033 6.400 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.559 -6.549 9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.123 -6.199 9.304 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.486 -7.593 8.259 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.972 -6.050 7.537 1.00 0.00 H new ATOM 1383 N GLU A 91 -13.357 -3.838 7.366 1.00 0.00 N ATOM 1384 CA GLU A 91 -13.481 -2.386 7.420 1.00 0.00 C ATOM 1385 C GLU A 91 -14.850 -1.977 7.956 1.00 0.00 C ATOM 1386 O GLU A 91 -14.950 -1.154 8.865 1.00 0.00 O ATOM 1387 CB GLU A 91 -13.262 -1.781 6.032 1.00 0.00 C ATOM 1388 CG GLU A 91 -12.752 -0.350 6.065 1.00 0.00 C ATOM 1389 CD GLU A 91 -11.479 -0.203 6.875 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -10.700 -1.177 6.937 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -11.262 0.885 7.447 1.00 0.00 O ATOM 0 H GLU A 91 -13.483 -4.238 6.436 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.716 -2.006 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.551 -2.399 5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.201 -1.810 5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.571 -0.009 5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.522 0.297 6.485 1.00 0.00 H new ATOM 1398 N GLN A 92 -15.900 -2.557 7.384 1.00 0.00 N ATOM 1399 CA GLN A 92 -17.263 -2.252 7.803 1.00 0.00 C ATOM 1400 C GLN A 92 -17.616 -2.991 9.089 1.00 0.00 C ATOM 1401 O GLN A 92 -18.109 -2.392 10.046 1.00 0.00 O ATOM 1402 CB GLN A 92 -18.254 -2.624 6.698 1.00 0.00 C ATOM 1403 CG GLN A 92 -18.040 -1.856 5.404 1.00 0.00 C ATOM 1404 CD GLN A 92 -18.785 -0.536 5.379 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -18.180 0.530 5.260 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -20.107 -0.600 5.492 1.00 0.00 N ATOM 0 H GLN A 92 -15.833 -3.240 6.630 1.00 0.00 H new ATOM 0 HA GLN A 92 -17.327 -1.181 7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -18.174 -3.692 6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -19.268 -2.443 7.055 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -16.975 -1.670 5.268 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -18.366 -2.469 4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -20.567 -1.505 5.589 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -20.662 0.256 5.482 1.00 0.00 H new ATOM 1415 N PHE A 93 -17.360 -4.295 9.106 1.00 0.00 N ATOM 1416 CA PHE A 93 -17.652 -5.116 10.275 1.00 0.00 C ATOM 1417 C PHE A 93 -16.492 -5.083 11.266 1.00 0.00 C ATOM 1418 O PHE A 93 -16.575 -4.444 12.314 1.00 0.00 O ATOM 1419 CB PHE A 93 -17.936 -6.559 9.853 1.00 0.00 C ATOM 1420 CG PHE A 93 -19.029 -6.680 8.830 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -18.758 -6.499 7.483 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -20.327 -6.975 9.215 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -19.762 -6.610 6.539 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -21.334 -7.088 8.276 1.00 0.00 C ATOM 1425 CZ PHE A 93 -21.052 -6.904 6.936 1.00 0.00 C ATOM 0 H PHE A 93 -16.951 -4.806 8.323 1.00 0.00 H new ATOM 0 HA PHE A 93 -18.536 -4.707 10.764 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -17.023 -6.998 9.451 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -18.208 -7.140 10.734 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -17.751 -6.269 7.167 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -20.554 -7.118 10.261 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -19.538 -6.467 5.492 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -22.341 -7.320 8.589 1.00 0.00 H new ATOM 0 HZ PHE A 93 -21.838 -6.990 6.201 1.00 0.00 H new ATOM 1435 N GLY A 94 -15.410 -5.778 10.926 1.00 0.00 N ATOM 1436 CA GLY A 94 -14.249 -5.816 11.796 1.00 0.00 C ATOM 1437 C GLY A 94 -13.374 -7.027 11.541 1.00 0.00 C ATOM 1438 O GLY A 94 -13.860 -8.072 11.111 1.00 0.00 O ATOM 0 H GLY A 94 -15.317 -6.315 10.064 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.661 -4.910 11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.577 -5.821 12.835 1.00 0.00 H new ATOM 1442 N GLU A 95 -12.079 -6.885 11.806 1.00 0.00 N ATOM 1443 CA GLU A 95 -11.134 -7.977 11.600 1.00 0.00 C ATOM 1444 C GLU A 95 -11.608 -9.246 12.301 1.00 0.00 C ATOM 1445 O GLU A 95 -11.573 -10.334 11.727 1.00 0.00 O ATOM 1446 CB GLU A 95 -9.748 -7.584 12.115 1.00 0.00 C ATOM 1447 CG GLU A 95 -9.112 -6.441 11.342 1.00 0.00 C ATOM 1448 CD GLU A 95 -9.608 -5.082 11.798 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -9.206 -4.643 12.896 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -10.396 -4.459 11.058 1.00 0.00 O ATOM 0 H GLU A 95 -11.661 -6.026 12.163 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.074 -8.175 10.530 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.827 -7.302 13.165 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.092 -8.453 12.067 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.029 -6.486 11.459 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.324 -6.563 10.280 1.00 0.00 H new ATOM 1457 N GLU A 96 -12.051 -9.098 13.546 1.00 0.00 N ATOM 1458 CA GLU A 96 -12.531 -10.233 14.326 1.00 0.00 C ATOM 1459 C GLU A 96 -13.910 -10.678 13.847 1.00 0.00 C ATOM 1460 O GLU A 96 -14.385 -11.755 14.205 1.00 0.00 O ATOM 1461 CB GLU A 96 -12.586 -9.872 15.812 1.00 0.00 C ATOM 1462 CG GLU A 96 -13.390 -10.855 16.647 1.00 0.00 C ATOM 1463 CD GLU A 96 -13.097 -10.736 18.130 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -13.290 -9.635 18.687 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -12.675 -11.745 18.734 1.00 0.00 O ATOM 0 H GLU A 96 -12.087 -8.204 14.036 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.833 -11.059 14.186 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.570 -9.822 16.203 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.019 -8.877 15.920 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.453 -10.687 16.476 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.171 -11.871 16.317 1.00 0.00 H new ATOM 1472 N ASN A 97 -14.547 -9.839 13.037 1.00 0.00 N ATOM 1473 CA ASN A 97 -15.872 -10.145 12.509 1.00 0.00 C ATOM 1474 C ASN A 97 -15.776 -10.733 11.105 1.00 0.00 C ATOM 1475 O ASN A 97 -16.781 -10.864 10.405 1.00 0.00 O ATOM 1476 CB ASN A 97 -16.739 -8.884 12.489 1.00 0.00 C ATOM 1477 CG ASN A 97 -17.061 -8.381 13.882 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -18.170 -8.571 14.382 1.00 0.00 O ATOM 1479 ND2 ASN A 97 -16.090 -7.735 14.518 1.00 0.00 N ATOM 0 H ASN A 97 -14.168 -8.943 12.732 1.00 0.00 H new ATOM 0 HA ASN A 97 -16.334 -10.885 13.162 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.223 -8.101 11.933 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.667 -9.093 11.958 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.249 -7.374 15.459 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.186 -7.600 14.066 1.00 0.00 H new ATOM 1486 N VAL A 98 -14.561 -11.086 10.698 1.00 0.00 N ATOM 1487 CA VAL A 98 -14.334 -11.662 9.378 1.00 0.00 C ATOM 1488 C VAL A 98 -14.442 -13.182 9.416 1.00 0.00 C ATOM 1489 O VAL A 98 -15.188 -13.780 8.643 1.00 0.00 O ATOM 1490 CB VAL A 98 -12.950 -11.270 8.826 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -12.723 -11.899 7.460 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -12.815 -9.757 8.755 1.00 0.00 C ATOM 0 H VAL A 98 -13.718 -10.983 11.264 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.106 -11.262 8.721 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.186 -11.648 9.505 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.741 -11.611 7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.775 -12.984 7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.491 -11.553 6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.832 -9.497 8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -13.586 -9.353 8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.931 -9.334 9.753 1.00 0.00 H new ATOM 1502 N ASN A 99 -13.691 -13.801 10.321 1.00 0.00 N ATOM 1503 CA ASN A 99 -13.702 -15.253 10.460 1.00 0.00 C ATOM 1504 C ASN A 99 -15.132 -15.780 10.545 1.00 0.00 C ATOM 1505 O ASN A 99 -15.539 -16.633 9.756 1.00 0.00 O ATOM 1506 CB ASN A 99 -12.917 -15.673 11.704 1.00 0.00 C ATOM 1507 CG ASN A 99 -11.431 -15.403 11.569 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -10.934 -14.368 12.011 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -10.714 -16.337 10.954 1.00 0.00 N ATOM 0 H ASN A 99 -13.067 -13.320 10.969 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.227 -15.682 9.577 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.303 -15.138 12.572 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.075 -16.736 11.888 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.709 -16.211 10.833 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.168 -17.180 10.603 1.00 0.00 H new ATOM 1516 N THR A 100 -15.890 -15.265 11.508 1.00 0.00 N ATOM 1517 CA THR A 100 -17.274 -15.684 11.696 1.00 0.00 C ATOM 1518 C THR A 100 -18.092 -15.468 10.428 1.00 0.00 C ATOM 1519 O THR A 100 -19.190 -16.006 10.287 1.00 0.00 O ATOM 1520 CB THR A 100 -17.938 -14.921 12.858 1.00 0.00 C ATOM 1521 OG1 THR A 100 -19.343 -15.195 12.885 1.00 0.00 O ATOM 1522 CG2 THR A 100 -17.710 -13.423 12.722 1.00 0.00 C ATOM 0 H THR A 100 -15.569 -14.558 12.169 1.00 0.00 H new ATOM 0 HA THR A 100 -17.253 -16.748 11.934 1.00 0.00 H new ATOM 0 HB THR A 100 -17.485 -15.258 13.791 1.00 0.00 H new ATOM 0 HG1 THR A 100 -19.757 -14.707 13.627 1.00 0.00 H new ATOM 0 HG21 THR A 100 -18.188 -12.905 13.554 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.640 -13.215 12.732 1.00 0.00 H new ATOM 0 HG23 THR A 100 -18.139 -13.074 11.783 1.00 0.00 H new ATOM 1530 N TYR A 101 -17.549 -14.678 9.508 1.00 0.00 N ATOM 1531 CA TYR A 101 -18.230 -14.390 8.251 1.00 0.00 C ATOM 1532 C TYR A 101 -17.933 -15.465 7.211 1.00 0.00 C ATOM 1533 O TYR A 101 -18.825 -15.913 6.491 1.00 0.00 O ATOM 1534 CB TYR A 101 -17.807 -13.019 7.720 1.00 0.00 C ATOM 1535 CG TYR A 101 -18.722 -12.477 6.646 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -20.051 -12.181 6.922 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -18.257 -12.259 5.355 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -20.890 -11.686 5.943 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -19.089 -11.763 4.370 1.00 0.00 C ATOM 1540 CZ TYR A 101 -20.405 -11.478 4.669 1.00 0.00 C ATOM 1541 OH TYR A 101 -21.238 -10.984 3.691 1.00 0.00 O ATOM 0 H TYR A 101 -16.640 -14.226 9.609 1.00 0.00 H new ATOM 0 HA TYR A 101 -19.303 -14.383 8.442 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -17.775 -12.312 8.549 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -16.795 -13.090 7.322 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -20.435 -12.341 7.919 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -17.227 -12.481 5.117 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -21.921 -11.463 6.174 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -18.711 -11.599 3.372 1.00 0.00 H new ATOM 0 HH TYR A 101 -20.740 -10.895 2.852 1.00 0.00 H new ATOM 1551 N PHE A 102 -16.670 -15.875 7.138 1.00 0.00 N ATOM 1552 CA PHE A 102 -16.253 -16.898 6.186 1.00 0.00 C ATOM 1553 C PHE A 102 -16.731 -18.278 6.626 1.00 0.00 C ATOM 1554 O PHE A 102 -17.310 -19.027 5.838 1.00 0.00 O ATOM 1555 CB PHE A 102 -14.730 -16.896 6.040 1.00 0.00 C ATOM 1556 CG PHE A 102 -14.215 -15.808 5.141 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -14.615 -14.495 5.323 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -13.331 -16.100 4.115 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -14.143 -13.491 4.498 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -12.855 -15.100 3.288 1.00 0.00 C ATOM 1561 CZ PHE A 102 -13.262 -13.794 3.479 1.00 0.00 C ATOM 0 H PHE A 102 -15.919 -15.515 7.726 1.00 0.00 H new ATOM 0 HA PHE A 102 -16.705 -16.668 5.221 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -14.279 -16.786 7.026 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.409 -17.862 5.649 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -15.304 -14.252 6.119 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -13.010 -17.120 3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.463 -12.471 4.650 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -12.165 -15.340 2.493 1.00 0.00 H new ATOM 0 HZ PHE A 102 -12.892 -13.012 2.833 1.00 0.00 H new ATOM 1571 N VAL A 103 -16.485 -18.609 7.890 1.00 0.00 N ATOM 1572 CA VAL A 103 -16.891 -19.898 8.436 1.00 0.00 C ATOM 1573 C VAL A 103 -18.409 -20.041 8.438 1.00 0.00 C ATOM 1574 O VAL A 103 -18.940 -21.126 8.673 1.00 0.00 O ATOM 1575 CB VAL A 103 -16.366 -20.090 9.871 1.00 0.00 C ATOM 1576 CG1 VAL A 103 -14.852 -20.234 9.871 1.00 0.00 C ATOM 1577 CG2 VAL A 103 -16.800 -18.932 10.756 1.00 0.00 C ATOM 0 H VAL A 103 -16.006 -18.002 8.555 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.458 -20.664 7.793 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.794 -21.007 10.276 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -14.499 -20.369 10.894 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.569 -21.100 9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -14.401 -19.337 9.447 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -16.420 -19.084 11.766 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.403 -17.999 10.356 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.889 -18.881 10.781 1.00 0.00 H new ATOM 1587 N SER A 104 -19.102 -18.938 8.173 1.00 0.00 N ATOM 1588 CA SER A 104 -20.560 -18.939 8.148 1.00 0.00 C ATOM 1589 C SER A 104 -21.080 -18.436 6.805 1.00 0.00 C ATOM 1590 O SER A 104 -20.914 -17.267 6.461 1.00 0.00 O ATOM 1591 CB SER A 104 -21.111 -18.070 9.280 1.00 0.00 C ATOM 1592 OG SER A 104 -22.422 -18.471 9.638 1.00 0.00 O ATOM 0 H SER A 104 -18.677 -18.033 7.973 1.00 0.00 H new ATOM 0 HA SER A 104 -20.901 -19.965 8.289 1.00 0.00 H new ATOM 0 HB2 SER A 104 -20.456 -18.140 10.148 1.00 0.00 H new ATOM 0 HB3 SER A 104 -21.119 -17.025 8.970 1.00 0.00 H new ATOM 0 HG SER A 104 -22.751 -17.902 10.364 1.00 0.00 H new ATOM 1598 N GLY A 105 -21.711 -19.330 6.049 1.00 0.00 N ATOM 1599 CA GLY A 105 -22.246 -18.959 4.752 1.00 0.00 C ATOM 1600 C GLY A 105 -21.826 -19.917 3.656 1.00 0.00 C ATOM 1601 O GLY A 105 -22.470 -20.939 3.414 1.00 0.00 O ATOM 0 H GLY A 105 -21.861 -20.304 6.312 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -23.334 -18.929 4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -21.912 -17.953 4.499 1.00 0.00 H new ATOM 1605 N PRO A 106 -20.721 -19.590 2.969 1.00 0.00 N ATOM 1606 CA PRO A 106 -20.192 -20.416 1.880 1.00 0.00 C ATOM 1607 C PRO A 106 -19.607 -21.731 2.382 1.00 0.00 C ATOM 1608 O PRO A 106 -19.378 -22.657 1.604 1.00 0.00 O ATOM 1609 CB PRO A 106 -19.094 -19.540 1.272 1.00 0.00 C ATOM 1610 CG PRO A 106 -18.671 -18.639 2.380 1.00 0.00 C ATOM 1611 CD PRO A 106 -19.904 -18.387 3.203 1.00 0.00 C ATOM 0 HA PRO A 106 -20.969 -20.703 1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.260 -20.143 0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -19.467 -18.972 0.420 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.888 -19.101 2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -18.264 -17.706 1.990 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -19.664 -18.263 4.259 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -20.421 -17.482 2.885 1.00 0.00 H new ATOM 1619 N SER A 107 -19.369 -21.808 3.687 1.00 0.00 N ATOM 1620 CA SER A 107 -18.808 -23.010 4.293 1.00 0.00 C ATOM 1621 C SER A 107 -19.317 -24.263 3.586 1.00 0.00 C ATOM 1622 O SER A 107 -20.500 -24.369 3.264 1.00 0.00 O ATOM 1623 CB SER A 107 -19.161 -23.070 5.780 1.00 0.00 C ATOM 1624 OG SER A 107 -18.172 -23.773 6.511 1.00 0.00 O ATOM 0 H SER A 107 -19.556 -21.052 4.346 1.00 0.00 H new ATOM 0 HA SER A 107 -17.724 -22.969 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 107 -19.259 -22.059 6.175 1.00 0.00 H new ATOM 0 HB3 SER A 107 -20.127 -23.557 5.908 1.00 0.00 H new ATOM 0 HG SER A 107 -18.420 -23.796 7.459 1.00 0.00 H new ATOM 1630 N SER A 108 -18.414 -25.209 3.349 1.00 0.00 N ATOM 1631 CA SER A 108 -18.770 -26.453 2.678 1.00 0.00 C ATOM 1632 C SER A 108 -18.207 -27.656 3.429 1.00 0.00 C ATOM 1633 O SER A 108 -17.612 -27.513 4.496 1.00 0.00 O ATOM 1634 CB SER A 108 -18.250 -26.448 1.239 1.00 0.00 C ATOM 1635 OG SER A 108 -16.898 -26.025 1.187 1.00 0.00 O ATOM 0 H SER A 108 -17.431 -25.137 3.612 1.00 0.00 H new ATOM 0 HA SER A 108 -19.857 -26.531 2.664 1.00 0.00 H new ATOM 0 HB2 SER A 108 -18.338 -27.448 0.814 1.00 0.00 H new ATOM 0 HB3 SER A 108 -18.865 -25.787 0.629 1.00 0.00 H new ATOM 0 HG SER A 108 -16.589 -26.032 0.257 1.00 0.00 H new ATOM 1641 N GLY A 109 -18.400 -28.843 2.862 1.00 0.00 N ATOM 1642 CA GLY A 109 -17.907 -30.055 3.491 1.00 0.00 C ATOM 1643 C GLY A 109 -19.018 -30.880 4.110 1.00 0.00 C ATOM 1644 O GLY A 109 -20.185 -30.735 3.746 1.00 0.00 O ATOM 0 H GLY A 109 -18.889 -28.987 1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -17.381 -30.657 2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -17.182 -29.792 4.261 1.00 0.00 H new TER 1648 GLY A 109