USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 928 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 99 TYR OH : rot 180:sc=-0.00269 USER MOD Set 1.2: A 110 LYS NZ :NH3+ -166:sc= 1.23 (180deg=1.18) USER MOD Set 2.1: A 25 THR OG1 : rot -59:sc= 0.897 USER MOD Set 2.2: A 26 LYS NZ :NH3+ 177:sc= 0.358 (180deg=0.246) USER MOD Set 3.1: A 17 TYR OH : rot 31:sc= 1.01 USER MOD Set 3.2: A 86 LYS NZ :NH3+ 144:sc= 1.03 (180deg=0.752) USER MOD Set 3.3: A 88 TYR OH : rot 31:sc= 0.904 USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.128 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.128 F(o=-0.68,f=-0.13) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -140:sc= 0.163 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot 156:sc= -2.3! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= 3 (180deg=-0.246!) USER MOD Single : A 47 TYR OH : rot -134:sc= -0.306 USER MOD Single : A 54 TYR OH : rot -144:sc= 0.0829 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 92:sc= 1.16 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.91 K(o=-1.9,f=-12!) USER MOD Single : A 80 GLN : amide:sc= -2.71 X(o=-2.7,f=-2.9!) USER MOD Single : A 84 THR OG1 : rot -14:sc= 0.64 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0.0612 USER MOD Single : A 102 SER OG : rot -108:sc= 1.23 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 115 ASN : amide:sc= -2.92! C(o=-2.9!,f=-7!) USER MOD Single : A 117 LYS NZ :NH3+ 142:sc= -0.96 (180deg=-2.86!) USER MOD Single : A 118 TYR OH : rot 41:sc= 1.24 USER MOD Single : A 119 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00772) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.697 18.993 -9.465 1.00 0.00 N ATOM 2 CA GLY A 1 -6.300 17.690 -9.970 1.00 0.00 C ATOM 3 C GLY A 1 -4.822 17.504 -9.811 1.00 0.00 C ATOM 4 O GLY A 1 -4.103 18.493 -9.648 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.516 19.339 -10.004 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.952 18.913 -8.460 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.907 19.661 -9.569 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.833 16.905 -9.433 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.575 17.600 -11.021 1.00 0.00 H new ATOM 10 N PRO A 2 -4.325 16.269 -9.814 1.00 0.00 N ATOM 11 CA PRO A 2 -2.911 16.011 -9.704 1.00 0.00 C ATOM 12 C PRO A 2 -2.208 16.143 -11.057 1.00 0.00 C ATOM 13 O PRO A 2 -2.479 15.382 -11.997 1.00 0.00 O ATOM 14 CB PRO A 2 -2.845 14.571 -9.191 1.00 0.00 C ATOM 15 CG PRO A 2 -4.114 13.924 -9.651 1.00 0.00 C ATOM 16 CD PRO A 2 -5.110 15.024 -9.918 1.00 0.00 C ATOM 0 HA PRO A 2 -2.408 16.721 -9.047 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.973 14.052 -9.589 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -2.763 14.545 -8.104 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.940 13.336 -10.552 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.493 13.239 -8.892 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.560 14.920 -10.905 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.924 15.007 -9.193 1.00 0.00 H new ATOM 24 N LEU A 3 -1.319 17.106 -11.150 1.00 0.00 N ATOM 25 CA LEU A 3 -0.561 17.350 -12.366 1.00 0.00 C ATOM 26 C LEU A 3 0.522 16.300 -12.468 1.00 0.00 C ATOM 27 O LEU A 3 0.854 15.813 -13.556 1.00 0.00 O ATOM 28 CB LEU A 3 0.078 18.765 -12.381 1.00 0.00 C ATOM 29 CG LEU A 3 -0.856 20.000 -12.497 1.00 0.00 C ATOM 30 CD1 LEU A 3 -1.730 20.192 -11.266 1.00 0.00 C ATOM 31 CD2 LEU A 3 -0.042 21.256 -12.763 1.00 0.00 C ATOM 0 H LEU A 3 -1.098 17.745 -10.387 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.240 17.295 -13.217 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.661 18.875 -11.466 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.781 18.802 -13.213 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.524 19.814 -13.338 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.362 21.069 -11.402 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.357 19.312 -11.124 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.098 20.333 -10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.711 22.113 -12.842 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.658 21.416 -11.943 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.511 21.140 -13.695 1.00 0.00 H new ATOM 43 N GLY A 4 1.043 15.943 -11.319 1.00 0.00 N ATOM 44 CA GLY A 4 2.059 14.942 -11.224 1.00 0.00 C ATOM 45 C GLY A 4 2.708 14.976 -9.871 1.00 0.00 C ATOM 46 O GLY A 4 2.811 16.050 -9.274 1.00 0.00 O ATOM 0 H GLY A 4 0.768 16.345 -10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.625 13.958 -11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.810 15.103 -11.998 1.00 0.00 H new ATOM 50 N SER A 5 3.068 13.803 -9.353 1.00 0.00 N ATOM 51 CA SER A 5 3.743 13.646 -8.050 1.00 0.00 C ATOM 52 C SER A 5 2.827 14.005 -6.866 1.00 0.00 C ATOM 53 O SER A 5 3.272 14.071 -5.710 1.00 0.00 O ATOM 54 CB SER A 5 5.039 14.472 -8.004 1.00 0.00 C ATOM 55 OG SER A 5 5.926 14.099 -9.057 1.00 0.00 O ATOM 0 H SER A 5 2.900 12.916 -9.828 1.00 0.00 H new ATOM 0 HA SER A 5 3.995 12.590 -7.949 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.800 15.533 -8.084 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.531 14.328 -7.042 1.00 0.00 H new ATOM 0 HG SER A 5 6.741 14.641 -9.005 1.00 0.00 H new ATOM 61 N GLU A 6 1.562 14.209 -7.148 1.00 0.00 N ATOM 62 CA GLU A 6 0.601 14.575 -6.140 1.00 0.00 C ATOM 63 C GLU A 6 -0.128 13.337 -5.690 1.00 0.00 C ATOM 64 O GLU A 6 -1.080 12.858 -6.337 1.00 0.00 O ATOM 65 CB GLU A 6 -0.318 15.675 -6.660 1.00 0.00 C ATOM 66 CG GLU A 6 0.478 16.912 -7.031 1.00 0.00 C ATOM 67 CD GLU A 6 -0.330 18.031 -7.607 1.00 0.00 C ATOM 68 OE1 GLU A 6 -0.795 18.906 -6.844 1.00 0.00 O1- ATOM 69 OE2 GLU A 6 -0.461 18.095 -8.829 1.00 0.00 O ATOM 0 H GLU A 6 1.171 14.125 -8.086 1.00 0.00 H new ATOM 0 HA GLU A 6 1.096 14.994 -5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.866 15.315 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.057 15.927 -5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.993 17.275 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.246 16.630 -7.751 1.00 0.00 H new ATOM 76 N GLY A 7 0.368 12.807 -4.618 1.00 0.00 N ATOM 77 CA GLY A 7 -0.032 11.535 -4.127 1.00 0.00 C ATOM 78 C GLY A 7 1.143 10.607 -4.304 1.00 0.00 C ATOM 79 O GLY A 7 1.185 9.852 -5.286 1.00 0.00 O ATOM 0 H GLY A 7 1.081 13.262 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.319 11.599 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.901 11.166 -4.673 1.00 0.00 H new ATOM 83 N PRO A 8 2.169 10.695 -3.403 1.00 0.00 N ATOM 84 CA PRO A 8 3.423 9.920 -3.513 1.00 0.00 C ATOM 85 C PRO A 8 3.154 8.436 -3.548 1.00 0.00 C ATOM 86 O PRO A 8 3.774 7.679 -4.312 1.00 0.00 O ATOM 87 CB PRO A 8 4.171 10.263 -2.234 1.00 0.00 C ATOM 88 CG PRO A 8 3.147 10.803 -1.321 1.00 0.00 C ATOM 89 CD PRO A 8 2.178 11.526 -2.189 1.00 0.00 C ATOM 0 HA PRO A 8 3.970 10.159 -4.425 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.651 9.381 -1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.957 10.995 -2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.656 10.004 -0.766 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.592 11.474 -0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.191 11.590 -1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.500 12.547 -2.396 1.00 0.00 H new ATOM 97 N VAL A 9 2.248 8.034 -2.709 1.00 0.00 N ATOM 98 CA VAL A 9 1.785 6.712 -2.686 1.00 0.00 C ATOM 99 C VAL A 9 0.954 6.485 -3.940 1.00 0.00 C ATOM 100 O VAL A 9 -0.046 7.174 -4.181 1.00 0.00 O ATOM 101 CB VAL A 9 1.013 6.400 -1.371 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.067 7.514 -0.990 1.00 0.00 C ATOM 103 CG2 VAL A 9 0.261 5.114 -1.488 1.00 0.00 C ATOM 0 H VAL A 9 1.812 8.641 -2.015 1.00 0.00 H new ATOM 0 HA VAL A 9 2.622 6.014 -2.691 1.00 0.00 H new ATOM 0 HB VAL A 9 1.759 6.309 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.450 7.253 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.631 8.435 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.663 7.659 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.270 4.917 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.455 5.184 -2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.959 4.301 -1.686 1.00 0.00 H new ATOM 113 N THR A 10 1.409 5.564 -4.737 1.00 0.00 N ATOM 114 CA THR A 10 0.875 5.307 -6.030 1.00 0.00 C ATOM 115 C THR A 10 -0.576 4.838 -5.955 1.00 0.00 C ATOM 116 O THR A 10 -0.872 3.739 -5.495 1.00 0.00 O ATOM 117 CB THR A 10 1.754 4.265 -6.729 1.00 0.00 C ATOM 118 OG1 THR A 10 3.129 4.673 -6.588 1.00 0.00 O ATOM 119 CG2 THR A 10 1.412 4.172 -8.211 1.00 0.00 C ATOM 0 H THR A 10 2.188 4.954 -4.491 1.00 0.00 H new ATOM 0 HA THR A 10 0.876 6.232 -6.606 1.00 0.00 H new ATOM 0 HB THR A 10 1.585 3.288 -6.276 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.711 4.018 -7.027 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.049 3.426 -8.685 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.367 3.883 -8.326 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.574 5.141 -8.683 1.00 0.00 H new ATOM 127 N VAL A 11 -1.473 5.702 -6.339 1.00 0.00 N ATOM 128 CA VAL A 11 -2.854 5.354 -6.383 1.00 0.00 C ATOM 129 C VAL A 11 -3.081 4.580 -7.651 1.00 0.00 C ATOM 130 O VAL A 11 -2.984 5.123 -8.762 1.00 0.00 O ATOM 131 CB VAL A 11 -3.777 6.587 -6.354 1.00 0.00 C ATOM 132 CG1 VAL A 11 -5.243 6.170 -6.308 1.00 0.00 C ATOM 133 CG2 VAL A 11 -3.432 7.503 -5.194 1.00 0.00 C ATOM 0 H VAL A 11 -1.264 6.658 -6.627 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.098 4.765 -5.499 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.617 7.146 -7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.874 7.059 -6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.480 5.576 -7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.424 5.576 -5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.100 8.364 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.547 6.961 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.401 7.843 -5.293 1.00 0.00 H new ATOM 143 N VAL A 12 -3.325 3.341 -7.491 1.00 0.00 N ATOM 144 CA VAL A 12 -3.504 2.445 -8.558 1.00 0.00 C ATOM 145 C VAL A 12 -4.959 2.078 -8.577 1.00 0.00 C ATOM 146 O VAL A 12 -5.503 1.739 -7.555 1.00 0.00 O ATOM 147 CB VAL A 12 -2.686 1.155 -8.303 1.00 0.00 C ATOM 148 CG1 VAL A 12 -2.701 0.293 -9.505 1.00 0.00 C ATOM 149 CG2 VAL A 12 -1.255 1.448 -7.899 1.00 0.00 C ATOM 0 H VAL A 12 -3.409 2.904 -6.573 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.181 2.897 -9.496 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.161 0.636 -7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.122 -0.610 -9.312 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.729 0.021 -9.745 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.263 0.832 -10.345 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.725 0.510 -7.732 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.760 2.008 -8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.249 2.036 -6.982 1.00 0.00 H new ATOM 159 N VAL A 13 -5.596 2.192 -9.704 1.00 0.00 N ATOM 160 CA VAL A 13 -6.966 1.750 -9.805 1.00 0.00 C ATOM 161 C VAL A 13 -6.992 0.228 -9.863 1.00 0.00 C ATOM 162 O VAL A 13 -5.945 -0.400 -10.119 1.00 0.00 O ATOM 163 CB VAL A 13 -7.702 2.348 -11.036 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.897 3.835 -10.875 1.00 0.00 C ATOM 165 CG2 VAL A 13 -6.940 2.072 -12.309 1.00 0.00 C ATOM 0 H VAL A 13 -5.201 2.581 -10.560 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.498 2.107 -8.923 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.678 1.867 -11.100 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.414 4.231 -11.749 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.492 4.029 -9.982 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.926 4.321 -10.777 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.477 2.501 -13.155 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.948 2.520 -12.244 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.843 0.995 -12.449 1.00 0.00 H new ATOM 175 N ALA A 14 -8.167 -0.368 -9.690 1.00 0.00 N ATOM 176 CA ALA A 14 -8.327 -1.831 -9.682 1.00 0.00 C ATOM 177 C ALA A 14 -7.899 -2.418 -11.002 1.00 0.00 C ATOM 178 O ALA A 14 -7.563 -3.598 -11.096 1.00 0.00 O ATOM 179 CB ALA A 14 -9.759 -2.223 -9.356 1.00 0.00 C ATOM 0 H ALA A 14 -9.039 0.143 -9.551 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.684 -2.237 -8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.848 -3.309 -9.357 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.027 -1.838 -8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.431 -1.803 -10.105 1.00 0.00 H new ATOM 185 N LYS A 15 -7.906 -1.582 -12.005 1.00 0.00 N ATOM 186 CA LYS A 15 -7.429 -1.927 -13.307 1.00 0.00 C ATOM 187 C LYS A 15 -5.927 -2.277 -13.280 1.00 0.00 C ATOM 188 O LYS A 15 -5.535 -3.367 -13.691 1.00 0.00 O ATOM 189 CB LYS A 15 -7.758 -0.788 -14.297 1.00 0.00 C ATOM 190 CG LYS A 15 -6.978 -0.802 -15.594 1.00 0.00 C ATOM 191 CD LYS A 15 -7.193 -2.078 -16.388 1.00 0.00 C ATOM 192 CE LYS A 15 -6.369 -2.071 -17.658 1.00 0.00 C ATOM 193 NZ LYS A 15 -6.471 -3.342 -18.385 1.00 0.00 N1+ ATOM 0 H LYS A 15 -8.251 -0.625 -11.933 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.940 -2.826 -13.651 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.821 -0.832 -14.533 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.581 0.165 -13.798 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.273 0.054 -16.201 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.916 -0.688 -15.377 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.921 -2.940 -15.779 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.249 -2.183 -16.636 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.702 -1.257 -18.302 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.325 -1.876 -17.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.892 -3.296 -19.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.130 -4.116 -17.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.463 -3.516 -18.643 1.00 0.00 H new ATOM 207 N ASN A 16 -5.100 -1.402 -12.733 1.00 0.00 N ATOM 208 CA ASN A 16 -3.658 -1.662 -12.797 1.00 0.00 C ATOM 209 C ASN A 16 -3.190 -2.328 -11.545 1.00 0.00 C ATOM 210 O ASN A 16 -2.034 -2.637 -11.413 1.00 0.00 O ATOM 211 CB ASN A 16 -2.773 -0.420 -12.972 1.00 0.00 C ATOM 212 CG ASN A 16 -3.376 0.761 -13.629 1.00 0.00 C ATOM 213 OD1 ASN A 16 -3.708 1.708 -12.821 1.00 0.00 O flip ATOM 214 ND2 ASN A 16 -3.461 0.861 -14.850 1.00 0.00 N flip ATOM 0 H ASN A 16 -5.376 -0.542 -12.259 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.550 -2.286 -13.684 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.423 -0.114 -11.986 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.893 -0.712 -13.546 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.185 0.081 -15.446 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.808 1.724 -15.268 1.00 0.00 H new ATOM 221 N TYR A 17 -4.065 -2.511 -10.596 1.00 0.00 N ATOM 222 CA TYR A 17 -3.732 -3.121 -9.349 1.00 0.00 C ATOM 223 C TYR A 17 -3.112 -4.527 -9.494 1.00 0.00 C ATOM 224 O TYR A 17 -2.281 -4.926 -8.688 1.00 0.00 O ATOM 225 CB TYR A 17 -4.957 -3.079 -8.439 1.00 0.00 C ATOM 226 CG TYR A 17 -5.268 -4.372 -7.727 1.00 0.00 C ATOM 227 CD1 TYR A 17 -4.624 -4.723 -6.556 1.00 0.00 C ATOM 228 CD2 TYR A 17 -6.189 -5.257 -8.267 1.00 0.00 C ATOM 229 CE1 TYR A 17 -4.883 -5.920 -5.943 1.00 0.00 C ATOM 230 CE2 TYR A 17 -6.463 -6.453 -7.658 1.00 0.00 C ATOM 231 CZ TYR A 17 -5.811 -6.785 -6.499 1.00 0.00 C ATOM 232 OH TYR A 17 -6.075 -7.986 -5.901 1.00 0.00 O ATOM 0 H TYR A 17 -5.044 -2.234 -10.673 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.933 -2.546 -8.881 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.810 -2.298 -7.693 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.824 -2.792 -9.035 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.907 -4.044 -6.118 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.699 -4.999 -9.183 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.367 -6.188 -5.033 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.187 -7.129 -8.088 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.957 -7.902 -4.932 1.00 0.00 H new ATOM 242 N ASN A 18 -3.395 -5.186 -10.592 1.00 0.00 N ATOM 243 CA ASN A 18 -2.945 -6.571 -10.785 1.00 0.00 C ATOM 244 C ASN A 18 -1.582 -6.527 -11.393 1.00 0.00 C ATOM 245 O ASN A 18 -0.884 -7.521 -11.508 1.00 0.00 O ATOM 246 CB ASN A 18 -3.872 -7.350 -11.735 1.00 0.00 C ATOM 247 CG ASN A 18 -5.317 -7.372 -11.303 1.00 0.00 C ATOM 248 OD1 ASN A 18 -5.732 -8.224 -10.525 1.00 0.00 O ATOM 249 ND2 ASN A 18 -6.110 -6.482 -11.851 1.00 0.00 N ATOM 0 H ASN A 18 -3.931 -4.801 -11.370 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.950 -7.075 -9.819 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.808 -6.910 -12.730 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.512 -8.376 -11.816 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.107 -6.485 -11.634 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.730 -5.788 -12.494 1.00 0.00 H new ATOM 256 N GLU A 19 -1.220 -5.351 -11.760 1.00 0.00 N ATOM 257 CA GLU A 19 -0.039 -5.068 -12.417 1.00 0.00 C ATOM 258 C GLU A 19 0.959 -4.427 -11.461 1.00 0.00 C ATOM 259 O GLU A 19 2.086 -4.874 -11.335 1.00 0.00 O ATOM 260 CB GLU A 19 -0.425 -4.109 -13.484 1.00 0.00 C ATOM 261 CG GLU A 19 -0.693 -4.679 -14.840 1.00 0.00 C ATOM 262 CD GLU A 19 -1.029 -3.597 -15.807 1.00 0.00 C ATOM 263 OE1 GLU A 19 -2.182 -3.147 -15.834 1.00 0.00 O1- ATOM 264 OE2 GLU A 19 -0.127 -3.148 -16.545 1.00 0.00 O ATOM 0 H GLU A 19 -1.791 -4.523 -11.589 1.00 0.00 H new ATOM 0 HA GLU A 19 0.439 -5.962 -12.817 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.319 -3.578 -13.156 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.369 -3.368 -13.578 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.182 -5.227 -15.189 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.515 -5.393 -14.784 1.00 0.00 H new ATOM 271 N ILE A 20 0.518 -3.390 -10.782 1.00 0.00 N ATOM 272 CA ILE A 20 1.376 -2.623 -9.907 1.00 0.00 C ATOM 273 C ILE A 20 1.488 -3.271 -8.531 1.00 0.00 C ATOM 274 O ILE A 20 2.578 -3.512 -8.047 1.00 0.00 O ATOM 275 CB ILE A 20 0.850 -1.173 -9.711 1.00 0.00 C ATOM 276 CG1 ILE A 20 0.512 -0.494 -11.057 1.00 0.00 C ATOM 277 CG2 ILE A 20 1.864 -0.333 -8.926 1.00 0.00 C ATOM 278 CD1 ILE A 20 1.666 -0.352 -12.022 1.00 0.00 C ATOM 0 H ILE A 20 -0.445 -3.056 -10.821 1.00 0.00 H new ATOM 0 HA ILE A 20 2.353 -2.597 -10.389 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.074 -1.238 -9.137 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.278 -1.066 -11.544 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.108 0.498 -10.852 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.478 0.678 -8.799 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.030 -0.784 -7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.806 -0.296 -9.473 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.320 0.136 -12.933 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.452 0.249 -11.564 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.060 -1.339 -12.266 1.00 0.00 H new ATOM 290 N VAL A 21 0.347 -3.581 -7.935 1.00 0.00 N ATOM 291 CA VAL A 21 0.301 -4.049 -6.559 1.00 0.00 C ATOM 292 C VAL A 21 0.571 -5.513 -6.491 1.00 0.00 C ATOM 293 O VAL A 21 1.124 -6.017 -5.541 1.00 0.00 O ATOM 294 CB VAL A 21 -1.085 -3.754 -5.959 1.00 0.00 C ATOM 295 CG1 VAL A 21 -1.166 -4.205 -4.506 1.00 0.00 C ATOM 296 CG2 VAL A 21 -1.404 -2.269 -6.095 1.00 0.00 C ATOM 0 H VAL A 21 -0.565 -3.516 -8.387 1.00 0.00 H new ATOM 0 HA VAL A 21 1.069 -3.526 -5.989 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.831 -4.322 -6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.157 -3.983 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.984 -5.278 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.415 -3.677 -3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.387 -2.067 -5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.651 -1.685 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.402 -1.992 -7.149 1.00 0.00 H new ATOM 306 N LEU A 22 0.235 -6.168 -7.529 1.00 0.00 N ATOM 307 CA LEU A 22 0.332 -7.574 -7.576 1.00 0.00 C ATOM 308 C LEU A 22 1.632 -7.944 -8.328 1.00 0.00 C ATOM 309 O LEU A 22 1.770 -9.033 -8.915 1.00 0.00 O ATOM 310 CB LEU A 22 -0.933 -8.072 -8.270 1.00 0.00 C ATOM 311 CG LEU A 22 -1.596 -9.352 -7.728 1.00 0.00 C ATOM 312 CD1 LEU A 22 -2.723 -9.813 -8.631 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.598 -10.463 -7.470 1.00 0.00 C ATOM 0 H LEU A 22 -0.121 -5.740 -8.384 1.00 0.00 H new ATOM 0 HA LEU A 22 0.394 -8.041 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.672 -7.271 -8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.695 -8.238 -9.321 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.026 -9.095 -6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.170 -10.718 -8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.480 -9.031 -8.696 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.330 -10.021 -9.626 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.121 -11.340 -7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.090 -10.719 -8.400 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.135 -10.130 -6.735 1.00 0.00 H new ATOM 325 N ASP A 23 2.584 -7.024 -8.268 1.00 0.00 N ATOM 326 CA ASP A 23 3.898 -7.201 -8.874 1.00 0.00 C ATOM 327 C ASP A 23 4.804 -7.866 -7.870 1.00 0.00 C ATOM 328 O ASP A 23 4.743 -7.570 -6.688 1.00 0.00 O ATOM 329 CB ASP A 23 4.503 -5.853 -9.262 1.00 0.00 C ATOM 330 CG ASP A 23 5.851 -5.956 -9.912 1.00 0.00 C ATOM 331 OD1 ASP A 23 5.939 -6.170 -11.126 1.00 0.00 O1- ATOM 332 OD2 ASP A 23 6.851 -5.758 -9.225 1.00 0.00 O ATOM 0 H ASP A 23 2.467 -6.128 -7.795 1.00 0.00 H new ATOM 0 HA ASP A 23 3.794 -7.811 -9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.821 -5.342 -9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.587 -5.233 -8.369 1.00 0.00 H new ATOM 337 N ASP A 24 5.635 -8.758 -8.322 1.00 0.00 N ATOM 338 CA ASP A 24 6.511 -9.478 -7.425 1.00 0.00 C ATOM 339 C ASP A 24 7.966 -9.060 -7.567 1.00 0.00 C ATOM 340 O ASP A 24 8.865 -9.800 -7.169 1.00 0.00 O ATOM 341 CB ASP A 24 6.355 -11.001 -7.595 1.00 0.00 C ATOM 342 CG ASP A 24 6.754 -11.522 -8.959 1.00 0.00 C ATOM 343 OD1 ASP A 24 6.018 -11.307 -9.938 1.00 0.00 O1- ATOM 344 OD2 ASP A 24 7.802 -12.169 -9.081 1.00 0.00 O ATOM 0 H ASP A 24 5.730 -9.010 -9.306 1.00 0.00 H new ATOM 0 HA ASP A 24 6.204 -9.213 -6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.957 -11.502 -6.838 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.316 -11.271 -7.406 1.00 0.00 H new ATOM 349 N THR A 25 8.231 -7.875 -8.097 1.00 0.00 N ATOM 350 CA THR A 25 9.613 -7.439 -8.183 1.00 0.00 C ATOM 351 C THR A 25 9.973 -6.606 -6.937 1.00 0.00 C ATOM 352 O THR A 25 11.159 -6.405 -6.624 1.00 0.00 O ATOM 353 CB THR A 25 9.949 -6.657 -9.498 1.00 0.00 C ATOM 354 OG1 THR A 25 9.341 -5.378 -9.486 1.00 0.00 O ATOM 355 CG2 THR A 25 9.420 -7.405 -10.703 1.00 0.00 C ATOM 0 H THR A 25 7.537 -7.222 -8.460 1.00 0.00 H new ATOM 0 HA THR A 25 10.227 -8.339 -8.217 1.00 0.00 H new ATOM 0 HB THR A 25 11.033 -6.558 -9.555 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.370 -5.478 -9.403 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.660 -6.850 -11.610 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.880 -8.392 -10.749 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.338 -7.512 -10.619 1.00 0.00 H new ATOM 363 N LYS A 26 8.941 -6.136 -6.232 1.00 0.00 N ATOM 364 CA LYS A 26 9.093 -5.391 -4.984 1.00 0.00 C ATOM 365 C LYS A 26 7.900 -5.640 -4.118 1.00 0.00 C ATOM 366 O LYS A 26 6.903 -6.162 -4.602 1.00 0.00 O ATOM 367 CB LYS A 26 9.271 -3.864 -5.174 1.00 0.00 C ATOM 368 CG LYS A 26 8.171 -3.117 -5.918 1.00 0.00 C ATOM 369 CD LYS A 26 8.219 -3.395 -7.389 1.00 0.00 C ATOM 370 CE LYS A 26 7.166 -2.648 -8.156 1.00 0.00 C ATOM 371 NZ LYS A 26 7.272 -2.952 -9.585 1.00 0.00 N1+ ATOM 0 H LYS A 26 7.969 -6.264 -6.515 1.00 0.00 H new ATOM 0 HA LYS A 26 10.011 -5.752 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.377 -3.412 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.209 -3.698 -5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.199 -3.410 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.276 -2.046 -5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.203 -3.125 -7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.094 -4.465 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.176 -2.922 -7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.280 -1.576 -7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.508 -2.470 -10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.191 -2.623 -9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.192 -3.979 -9.728 1.00 0.00 H new ATOM 385 N ASP A 27 7.997 -5.281 -2.857 1.00 0.00 N ATOM 386 CA ASP A 27 6.890 -5.451 -1.946 1.00 0.00 C ATOM 387 C ASP A 27 5.933 -4.301 -2.163 1.00 0.00 C ATOM 388 O ASP A 27 6.356 -3.157 -2.254 1.00 0.00 O ATOM 389 CB ASP A 27 7.366 -5.451 -0.473 1.00 0.00 C ATOM 390 CG ASP A 27 8.256 -6.627 -0.067 1.00 0.00 C ATOM 391 OD1 ASP A 27 7.978 -7.788 -0.430 1.00 0.00 O1- ATOM 392 OD2 ASP A 27 9.245 -6.414 0.646 1.00 0.00 O ATOM 0 H ASP A 27 8.832 -4.869 -2.440 1.00 0.00 H new ATOM 0 HA ASP A 27 6.408 -6.410 -2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.910 -4.525 -0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.489 -5.442 0.174 1.00 0.00 H new ATOM 397 N VAL A 28 4.684 -4.568 -2.326 1.00 0.00 N ATOM 398 CA VAL A 28 3.736 -3.493 -2.496 1.00 0.00 C ATOM 399 C VAL A 28 2.675 -3.490 -1.404 1.00 0.00 C ATOM 400 O VAL A 28 1.925 -4.453 -1.233 1.00 0.00 O ATOM 401 CB VAL A 28 3.071 -3.484 -3.901 1.00 0.00 C ATOM 402 CG1 VAL A 28 2.218 -2.242 -4.077 1.00 0.00 C ATOM 403 CG2 VAL A 28 4.110 -3.556 -5.003 1.00 0.00 C ATOM 0 H VAL A 28 4.286 -5.507 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 28 4.318 -2.576 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 28 2.436 -4.367 -3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.760 -2.252 -5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.438 -2.226 -3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.842 -1.354 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.613 -3.548 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.778 -2.697 -4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.688 -4.475 -4.899 1.00 0.00 H new ATOM 413 N LEU A 29 2.642 -2.413 -0.651 1.00 0.00 N ATOM 414 CA LEU A 29 1.631 -2.201 0.361 1.00 0.00 C ATOM 415 C LEU A 29 0.468 -1.545 -0.262 1.00 0.00 C ATOM 416 O LEU A 29 0.599 -0.428 -0.752 1.00 0.00 O ATOM 417 CB LEU A 29 2.108 -1.255 1.446 1.00 0.00 C ATOM 418 CG LEU A 29 2.720 -1.830 2.696 1.00 0.00 C ATOM 419 CD1 LEU A 29 3.041 -0.696 3.623 1.00 0.00 C ATOM 420 CD2 LEU A 29 1.766 -2.801 3.376 1.00 0.00 C ATOM 0 H LEU A 29 3.320 -1.655 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 29 1.394 -3.174 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.841 -0.584 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.258 -0.643 1.747 1.00 0.00 H new ATOM 0 HG LEU A 29 3.624 -2.382 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.486 -1.088 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.744 -0.018 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.126 -0.156 3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.234 -3.201 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.847 -2.280 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.532 -3.619 2.694 1.00 0.00 H new ATOM 432 N ILE A 30 -0.641 -2.186 -0.281 1.00 0.00 N ATOM 433 CA ILE A 30 -1.798 -1.519 -0.806 1.00 0.00 C ATOM 434 C ILE A 30 -2.743 -1.118 0.319 1.00 0.00 C ATOM 435 O ILE A 30 -2.862 -1.827 1.319 1.00 0.00 O ATOM 436 CB ILE A 30 -2.555 -2.363 -1.850 1.00 0.00 C ATOM 437 CG1 ILE A 30 -3.509 -1.462 -2.632 1.00 0.00 C ATOM 438 CG2 ILE A 30 -3.322 -3.505 -1.174 1.00 0.00 C ATOM 439 CD1 ILE A 30 -4.256 -2.160 -3.718 1.00 0.00 C ATOM 0 H ILE A 30 -0.784 -3.141 0.047 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.434 -0.626 -1.315 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.836 -2.808 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.225 -1.021 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.940 -0.640 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.849 -4.087 -1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.622 -4.149 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.042 -3.092 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.911 -1.450 -4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.549 -2.577 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.855 -2.964 -3.289 1.00 0.00 H new ATOM 451 N GLU A 31 -3.388 0.001 0.153 1.00 0.00 N ATOM 452 CA GLU A 31 -4.382 0.451 1.079 1.00 0.00 C ATOM 453 C GLU A 31 -5.646 0.777 0.307 1.00 0.00 C ATOM 454 O GLU A 31 -5.673 1.693 -0.528 1.00 0.00 O ATOM 455 CB GLU A 31 -3.879 1.656 1.905 1.00 0.00 C ATOM 456 CG GLU A 31 -4.850 2.196 2.959 1.00 0.00 C ATOM 457 CD GLU A 31 -4.223 3.282 3.828 1.00 0.00 C ATOM 458 OE1 GLU A 31 -3.563 2.944 4.850 1.00 0.00 O ATOM 459 OE2 GLU A 31 -4.373 4.488 3.520 1.00 0.00 O1- ATOM 0 H GLU A 31 -3.236 0.630 -0.635 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.598 -0.338 1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.954 1.369 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.632 2.465 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.734 2.597 2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.186 1.376 3.594 1.00 0.00 H new ATOM 466 N PHE A 32 -6.636 -0.050 0.497 1.00 0.00 N ATOM 467 CA PHE A 32 -7.951 0.153 -0.063 1.00 0.00 C ATOM 468 C PHE A 32 -8.562 1.245 0.699 1.00 0.00 C ATOM 469 O PHE A 32 -8.575 1.162 1.919 1.00 0.00 O ATOM 470 CB PHE A 32 -8.823 -1.066 0.161 1.00 0.00 C ATOM 471 CG PHE A 32 -8.369 -2.302 -0.570 1.00 0.00 C ATOM 472 CD1 PHE A 32 -7.450 -3.168 -0.009 1.00 0.00 C ATOM 473 CD2 PHE A 32 -8.870 -2.591 -1.825 1.00 0.00 C ATOM 474 CE1 PHE A 32 -7.038 -4.295 -0.682 1.00 0.00 C ATOM 475 CE2 PHE A 32 -8.461 -3.718 -2.504 1.00 0.00 C ATOM 476 CZ PHE A 32 -7.544 -4.571 -1.930 1.00 0.00 C ATOM 0 H PHE A 32 -6.554 -0.900 1.055 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.869 0.355 -1.131 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.856 -1.282 1.229 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.841 -0.830 -0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.049 -2.957 0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.590 -1.926 -2.279 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.318 -4.962 -0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.859 -3.932 -3.485 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.223 -5.456 -2.460 1.00 0.00 H new ATOM 486 N TYR A 33 -9.064 2.241 0.033 1.00 0.00 N ATOM 487 CA TYR A 33 -9.637 3.357 0.729 1.00 0.00 C ATOM 488 C TYR A 33 -10.854 3.883 0.010 1.00 0.00 C ATOM 489 O TYR A 33 -11.348 3.290 -0.936 1.00 0.00 O ATOM 490 CB TYR A 33 -8.596 4.495 0.856 1.00 0.00 C ATOM 491 CG TYR A 33 -8.240 5.211 -0.459 1.00 0.00 C ATOM 492 CD1 TYR A 33 -7.389 4.650 -1.384 1.00 0.00 C ATOM 493 CD2 TYR A 33 -8.787 6.456 -0.758 1.00 0.00 C ATOM 494 CE1 TYR A 33 -7.097 5.303 -2.568 1.00 0.00 C ATOM 495 CE2 TYR A 33 -8.499 7.106 -1.927 1.00 0.00 C ATOM 496 CZ TYR A 33 -7.658 6.526 -2.828 1.00 0.00 C ATOM 497 OH TYR A 33 -7.367 7.176 -4.004 1.00 0.00 O ATOM 0 H TYR A 33 -9.089 2.306 -0.985 1.00 0.00 H new ATOM 0 HA TYR A 33 -9.935 3.012 1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.975 5.234 1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -7.683 4.083 1.285 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.943 3.687 -1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.456 6.921 -0.049 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.429 4.850 -3.286 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.935 8.072 -2.134 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.847 8.030 -4.033 1.00 0.00 H new ATOM 507 N ALA A 34 -11.291 4.994 0.495 1.00 0.00 N ATOM 508 CA ALA A 34 -12.332 5.793 -0.046 1.00 0.00 C ATOM 509 C ALA A 34 -11.912 7.194 0.339 1.00 0.00 C ATOM 510 O ALA A 34 -11.389 7.369 1.438 1.00 0.00 O ATOM 511 CB ALA A 34 -13.675 5.430 0.573 1.00 0.00 C ATOM 0 H ALA A 34 -10.898 5.397 1.346 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.465 5.664 -1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.456 6.056 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.897 4.382 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.635 5.591 1.650 1.00 0.00 H new ATOM 517 N PRO A 35 -12.149 8.212 -0.477 1.00 0.00 N ATOM 518 CA PRO A 35 -11.569 9.533 -0.243 1.00 0.00 C ATOM 519 C PRO A 35 -12.305 10.241 0.860 1.00 0.00 C ATOM 520 O PRO A 35 -11.787 11.123 1.544 1.00 0.00 O ATOM 521 CB PRO A 35 -11.754 10.257 -1.579 1.00 0.00 C ATOM 522 CG PRO A 35 -12.676 9.405 -2.414 1.00 0.00 C ATOM 523 CD PRO A 35 -13.068 8.206 -1.607 1.00 0.00 C ATOM 0 HA PRO A 35 -10.525 9.491 0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.178 11.249 -1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.796 10.394 -2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -13.560 9.973 -2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.179 9.097 -3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -14.105 8.272 -1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.976 7.289 -2.189 1.00 0.00 H new ATOM 531 N TRP A 36 -13.497 9.796 1.038 1.00 0.00 N ATOM 532 CA TRP A 36 -14.408 10.313 2.041 1.00 0.00 C ATOM 533 C TRP A 36 -14.416 9.477 3.306 1.00 0.00 C ATOM 534 O TRP A 36 -15.161 9.747 4.237 1.00 0.00 O ATOM 535 CB TRP A 36 -15.806 10.436 1.452 1.00 0.00 C ATOM 536 CG TRP A 36 -16.214 9.291 0.565 1.00 0.00 C ATOM 537 CD1 TRP A 36 -16.482 8.002 0.928 1.00 0.00 C ATOM 538 CD2 TRP A 36 -16.406 9.358 -0.851 1.00 0.00 C ATOM 539 NE1 TRP A 36 -16.796 7.263 -0.187 1.00 0.00 N ATOM 540 CE2 TRP A 36 -16.767 8.077 -1.287 1.00 0.00 C ATOM 541 CE3 TRP A 36 -16.300 10.387 -1.795 1.00 0.00 C ATOM 542 CZ2 TRP A 36 -17.022 7.790 -2.622 1.00 0.00 C ATOM 543 CZ3 TRP A 36 -16.557 10.102 -3.120 1.00 0.00 C ATOM 544 CH2 TRP A 36 -16.913 8.813 -3.523 1.00 0.00 C ATOM 0 H TRP A 36 -13.894 9.039 0.482 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.055 11.302 2.333 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -16.524 10.520 2.268 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -15.865 11.361 0.879 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -16.452 7.621 1.938 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -17.016 6.267 -0.194 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -16.022 11.385 -1.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -17.297 6.794 -2.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -16.482 10.888 -3.857 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -17.106 8.620 -4.568 1.00 0.00 H new ATOM 555 N CYS A 37 -13.580 8.492 3.341 1.00 0.00 N ATOM 556 CA CYS A 37 -13.511 7.601 4.493 1.00 0.00 C ATOM 557 C CYS A 37 -12.756 8.247 5.642 1.00 0.00 C ATOM 558 O CYS A 37 -11.633 8.726 5.458 1.00 0.00 O ATOM 559 CB CYS A 37 -12.865 6.268 4.122 1.00 0.00 C ATOM 560 SG CYS A 37 -12.578 5.138 5.501 1.00 0.00 S ATOM 0 H CYS A 37 -12.926 8.269 2.591 1.00 0.00 H new ATOM 0 HA CYS A 37 -14.534 7.409 4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -13.499 5.768 3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -11.911 6.469 3.634 1.00 0.00 H new ATOM 0 HG CYS A 37 -11.428 4.551 5.349 1.00 0.00 H new ATOM 566 N GLY A 38 -13.359 8.231 6.824 1.00 0.00 N ATOM 567 CA GLY A 38 -12.740 8.797 8.003 1.00 0.00 C ATOM 568 C GLY A 38 -11.459 8.083 8.342 1.00 0.00 C ATOM 569 O GLY A 38 -10.456 8.710 8.665 1.00 0.00 O ATOM 0 H GLY A 38 -14.282 7.828 6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.537 9.855 7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.429 8.733 8.845 1.00 0.00 H new ATOM 573 N HIS A 39 -11.479 6.761 8.206 1.00 0.00 N ATOM 574 CA HIS A 39 -10.293 5.958 8.461 1.00 0.00 C ATOM 575 C HIS A 39 -9.206 6.264 7.463 1.00 0.00 C ATOM 576 O HIS A 39 -8.072 6.466 7.844 1.00 0.00 O ATOM 577 CB HIS A 39 -10.588 4.450 8.519 1.00 0.00 C ATOM 578 CG HIS A 39 -11.129 3.989 9.841 1.00 0.00 C ATOM 579 ND1 HIS A 39 -10.583 2.947 10.549 1.00 0.00 N ATOM 580 CD2 HIS A 39 -12.167 4.430 10.577 1.00 0.00 C ATOM 581 CE1 HIS A 39 -11.260 2.768 11.659 1.00 0.00 C ATOM 582 NE2 HIS A 39 -12.224 3.656 11.699 1.00 0.00 N ATOM 0 H HIS A 39 -12.300 6.227 7.922 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.939 6.238 9.453 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.304 4.199 7.736 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.672 3.901 8.301 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -12.830 5.244 10.326 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.058 2.019 12.410 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.908 3.753 12.450 1.00 0.00 H new ATOM 591 N CYS A 40 -9.568 6.362 6.195 1.00 0.00 N ATOM 592 CA CYS A 40 -8.610 6.695 5.143 1.00 0.00 C ATOM 593 C CYS A 40 -7.921 8.007 5.449 1.00 0.00 C ATOM 594 O CYS A 40 -6.704 8.129 5.333 1.00 0.00 O ATOM 595 CB CYS A 40 -9.302 6.792 3.797 1.00 0.00 C ATOM 596 SG CYS A 40 -8.239 7.369 2.465 1.00 0.00 S ATOM 0 H CYS A 40 -10.522 6.216 5.864 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.867 5.899 5.104 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.698 5.812 3.533 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -10.154 7.466 3.886 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.704 6.950 1.326 1.00 0.00 H new ATOM 602 N LYS A 41 -8.693 8.945 5.927 1.00 0.00 N ATOM 603 CA LYS A 41 -8.195 10.272 6.235 1.00 0.00 C ATOM 604 C LYS A 41 -7.317 10.308 7.508 1.00 0.00 C ATOM 605 O LYS A 41 -6.774 11.350 7.855 1.00 0.00 O ATOM 606 CB LYS A 41 -9.348 11.281 6.303 1.00 0.00 C ATOM 607 CG LYS A 41 -10.108 11.396 4.980 1.00 0.00 C ATOM 608 CD LYS A 41 -11.202 12.456 5.008 1.00 0.00 C ATOM 609 CE LYS A 41 -12.328 12.121 5.976 1.00 0.00 C ATOM 610 NZ LYS A 41 -13.391 13.158 5.962 1.00 0.00 N1+ ATOM 0 H LYS A 41 -9.687 8.818 6.117 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.536 10.564 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.040 10.984 7.091 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.954 12.259 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.403 11.631 4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.552 10.430 4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.764 13.415 5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.614 12.572 4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.759 11.155 5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.925 12.026 6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.141 12.896 6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.985 14.075 6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.793 13.230 5.005 1.00 0.00 H new ATOM 624 N ALA A 42 -7.170 9.172 8.185 1.00 0.00 N ATOM 625 CA ALA A 42 -6.293 9.071 9.353 1.00 0.00 C ATOM 626 C ALA A 42 -5.068 8.275 8.963 1.00 0.00 C ATOM 627 O ALA A 42 -4.014 8.319 9.596 1.00 0.00 O ATOM 628 CB ALA A 42 -7.005 8.353 10.474 1.00 0.00 C ATOM 0 H ALA A 42 -7.648 8.304 7.945 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.014 10.070 9.688 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.345 8.283 11.338 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.903 8.906 10.748 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.282 7.351 10.146 1.00 0.00 H new ATOM 634 N LEU A 43 -5.225 7.566 7.893 1.00 0.00 N ATOM 635 CA LEU A 43 -4.235 6.675 7.371 1.00 0.00 C ATOM 636 C LEU A 43 -3.416 7.335 6.263 1.00 0.00 C ATOM 637 O LEU A 43 -2.372 6.842 5.858 1.00 0.00 O ATOM 638 CB LEU A 43 -4.926 5.413 6.867 1.00 0.00 C ATOM 639 CG LEU A 43 -5.183 4.272 7.899 1.00 0.00 C ATOM 640 CD1 LEU A 43 -6.002 4.709 9.103 1.00 0.00 C ATOM 641 CD2 LEU A 43 -5.817 3.068 7.230 1.00 0.00 C ATOM 0 H LEU A 43 -6.079 7.591 7.335 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.535 6.414 8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.886 5.703 6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.326 5.003 6.054 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.202 3.993 8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.140 3.863 9.776 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.479 5.509 9.628 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.975 5.069 8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.986 2.287 7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.769 3.358 6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.153 2.692 6.452 1.00 0.00 H new ATOM 653 N ALA A 44 -3.888 8.449 5.851 1.00 0.00 N ATOM 654 CA ALA A 44 -3.316 9.279 4.799 1.00 0.00 C ATOM 655 C ALA A 44 -1.973 9.902 5.164 1.00 0.00 C ATOM 656 O ALA A 44 -1.055 9.793 4.380 1.00 0.00 O ATOM 657 CB ALA A 44 -4.291 10.363 4.407 1.00 0.00 C ATOM 0 H ALA A 44 -4.736 8.853 6.248 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.127 8.612 3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.854 10.978 3.620 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.213 9.909 4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.511 10.986 5.274 1.00 0.00 H new ATOM 663 N PRO A 45 -1.786 10.525 6.382 1.00 0.00 N ATOM 664 CA PRO A 45 -0.531 11.226 6.694 1.00 0.00 C ATOM 665 C PRO A 45 0.651 10.305 6.648 1.00 0.00 C ATOM 666 O PRO A 45 1.769 10.697 6.302 1.00 0.00 O ATOM 667 CB PRO A 45 -0.689 11.710 8.118 1.00 0.00 C ATOM 668 CG PRO A 45 -2.105 11.497 8.508 1.00 0.00 C ATOM 669 CD PRO A 45 -2.726 10.564 7.529 1.00 0.00 C ATOM 0 HA PRO A 45 -0.356 12.023 5.971 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.022 11.164 8.785 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.425 12.765 8.196 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.163 11.084 9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.642 12.446 8.521 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.862 9.573 7.961 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.711 10.915 7.220 1.00 0.00 H new ATOM 677 N LYS A 46 0.388 9.070 6.948 1.00 0.00 N ATOM 678 CA LYS A 46 1.451 8.080 7.018 1.00 0.00 C ATOM 679 C LYS A 46 1.705 7.563 5.665 1.00 0.00 C ATOM 680 O LYS A 46 2.800 7.264 5.315 1.00 0.00 O ATOM 681 CB LYS A 46 1.056 6.942 7.948 1.00 0.00 C ATOM 682 CG LYS A 46 0.224 5.842 7.322 1.00 0.00 C ATOM 683 CD LYS A 46 -0.829 5.328 8.231 1.00 0.00 C ATOM 684 CE LYS A 46 -1.415 4.039 7.703 1.00 0.00 C ATOM 685 NZ LYS A 46 -1.883 4.173 6.292 1.00 0.00 N1+ ATOM 0 H LYS A 46 -0.545 8.712 7.150 1.00 0.00 H new ATOM 0 HA LYS A 46 2.355 8.543 7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.964 6.498 8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.501 7.359 8.788 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.241 6.219 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.878 5.020 7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.409 5.162 9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.617 6.073 8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.666 3.249 7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.250 3.735 8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.744 3.605 6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.091 5.171 6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.141 3.836 5.646 1.00 0.00 H new ATOM 699 N TYR A 47 0.685 7.532 4.904 1.00 0.00 N ATOM 700 CA TYR A 47 0.739 6.959 3.629 1.00 0.00 C ATOM 701 C TYR A 47 1.367 7.893 2.649 1.00 0.00 C ATOM 702 O TYR A 47 2.090 7.468 1.765 1.00 0.00 O ATOM 703 CB TYR A 47 -0.627 6.486 3.235 1.00 0.00 C ATOM 704 CG TYR A 47 -0.605 5.053 2.876 1.00 0.00 C ATOM 705 CD1 TYR A 47 -0.085 4.141 3.757 1.00 0.00 C ATOM 706 CD2 TYR A 47 -1.053 4.617 1.673 1.00 0.00 C ATOM 707 CE1 TYR A 47 -0.021 2.813 3.451 1.00 0.00 C ATOM 708 CE2 TYR A 47 -0.996 3.290 1.335 1.00 0.00 C ATOM 709 CZ TYR A 47 -0.483 2.380 2.229 1.00 0.00 C ATOM 710 OH TYR A 47 -0.411 1.048 1.891 1.00 0.00 O ATOM 0 H TYR A 47 -0.227 7.912 5.157 1.00 0.00 H new ATOM 0 HA TYR A 47 1.385 6.081 3.639 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.324 6.648 4.057 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.989 7.071 2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.282 4.481 4.714 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.462 5.327 0.969 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.388 2.109 4.160 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.353 2.960 0.370 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.060 0.960 0.980 1.00 0.00 H new ATOM 720 N GLU A 48 1.142 9.159 2.852 1.00 0.00 N ATOM 721 CA GLU A 48 1.774 10.162 2.065 1.00 0.00 C ATOM 722 C GLU A 48 3.240 10.220 2.395 1.00 0.00 C ATOM 723 O GLU A 48 4.054 10.161 1.536 1.00 0.00 O ATOM 724 CB GLU A 48 1.162 11.517 2.314 1.00 0.00 C ATOM 725 CG GLU A 48 -0.285 11.641 1.910 1.00 0.00 C ATOM 726 CD GLU A 48 -0.507 11.377 0.454 1.00 0.00 C ATOM 727 OE1 GLU A 48 -0.201 12.255 -0.363 1.00 0.00 O ATOM 728 OE2 GLU A 48 -1.040 10.315 0.107 1.00 0.00 O1- ATOM 0 H GLU A 48 0.513 9.519 3.570 1.00 0.00 H new ATOM 0 HA GLU A 48 1.634 9.902 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.250 11.750 3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.741 12.266 1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.882 10.942 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.640 12.643 2.151 1.00 0.00 H new ATOM 735 N GLU A 49 3.552 10.259 3.662 1.00 0.00 N ATOM 736 CA GLU A 49 4.909 10.424 4.111 1.00 0.00 C ATOM 737 C GLU A 49 5.725 9.177 3.856 1.00 0.00 C ATOM 738 O GLU A 49 6.791 9.254 3.275 1.00 0.00 O ATOM 739 CB GLU A 49 4.949 10.833 5.582 1.00 0.00 C ATOM 740 CG GLU A 49 6.343 11.059 6.128 1.00 0.00 C ATOM 741 CD GLU A 49 6.327 11.616 7.519 1.00 0.00 C ATOM 742 OE1 GLU A 49 6.312 12.857 7.665 1.00 0.00 O1- ATOM 743 OE2 GLU A 49 6.327 10.837 8.498 1.00 0.00 O ATOM 0 H GLU A 49 2.870 10.177 4.416 1.00 0.00 H new ATOM 0 HA GLU A 49 5.361 11.229 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.369 11.747 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.460 10.060 6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.890 10.116 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.881 11.743 5.472 1.00 0.00 H new ATOM 750 N LEU A 50 5.188 8.024 4.217 1.00 0.00 N ATOM 751 CA LEU A 50 5.900 6.778 4.034 1.00 0.00 C ATOM 752 C LEU A 50 5.956 6.482 2.601 1.00 0.00 C ATOM 753 O LEU A 50 6.936 5.994 2.090 1.00 0.00 O ATOM 754 CB LEU A 50 5.158 5.662 4.680 1.00 0.00 C ATOM 755 CG LEU A 50 5.811 4.280 4.549 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.073 4.164 5.379 1.00 0.00 C ATOM 757 CD2 LEU A 50 4.845 3.188 4.870 1.00 0.00 C ATOM 0 H LEU A 50 4.264 7.928 4.637 1.00 0.00 H new ATOM 0 HA LEU A 50 6.894 6.873 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.039 5.891 5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.157 5.615 4.250 1.00 0.00 H new ATOM 0 HG LEU A 50 6.106 4.166 3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.500 3.169 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.794 4.912 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.834 4.327 6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.340 2.222 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.489 3.306 5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.999 3.237 4.184 1.00 0.00 H new ATOM 769 N GLY A 51 4.876 6.767 1.971 1.00 0.00 N ATOM 770 CA GLY A 51 4.768 6.539 0.564 1.00 0.00 C ATOM 771 C GLY A 51 5.679 7.379 -0.221 1.00 0.00 C ATOM 772 O GLY A 51 6.236 6.933 -1.196 1.00 0.00 O ATOM 0 H GLY A 51 4.043 7.163 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.977 5.490 0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.742 6.730 0.248 1.00 0.00 H new ATOM 776 N ALA A 52 5.830 8.592 0.202 1.00 0.00 N ATOM 777 CA ALA A 52 6.768 9.489 -0.387 1.00 0.00 C ATOM 778 C ALA A 52 8.133 8.924 -0.173 1.00 0.00 C ATOM 779 O ALA A 52 8.830 8.573 -1.124 1.00 0.00 O ATOM 780 CB ALA A 52 6.636 10.866 0.254 1.00 0.00 C ATOM 0 H ALA A 52 5.299 8.992 0.976 1.00 0.00 H new ATOM 0 HA ALA A 52 6.582 9.603 -1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.355 11.549 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.626 11.245 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.832 10.790 1.323 1.00 0.00 H new ATOM 786 N LEU A 53 8.431 8.682 1.079 1.00 0.00 N ATOM 787 CA LEU A 53 9.746 8.194 1.470 1.00 0.00 C ATOM 788 C LEU A 53 10.099 6.910 0.757 1.00 0.00 C ATOM 789 O LEU A 53 11.199 6.776 0.225 1.00 0.00 O ATOM 790 CB LEU A 53 9.855 8.000 2.982 1.00 0.00 C ATOM 791 CG LEU A 53 9.750 9.262 3.834 1.00 0.00 C ATOM 792 CD1 LEU A 53 9.763 8.905 5.310 1.00 0.00 C ATOM 793 CD2 LEU A 53 10.883 10.218 3.508 1.00 0.00 C ATOM 0 H LEU A 53 7.782 8.813 1.855 1.00 0.00 H new ATOM 0 HA LEU A 53 10.461 8.961 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.073 7.309 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.809 7.520 3.198 1.00 0.00 H new ATOM 0 HG LEU A 53 8.806 9.757 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.687 9.815 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.918 8.254 5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.693 8.390 5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.793 11.113 4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.838 9.733 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.833 10.496 2.455 1.00 0.00 H new ATOM 805 N TYR A 54 9.167 6.003 0.670 1.00 0.00 N ATOM 806 CA TYR A 54 9.463 4.750 0.053 1.00 0.00 C ATOM 807 C TYR A 54 9.455 4.829 -1.447 1.00 0.00 C ATOM 808 O TYR A 54 10.360 4.349 -2.061 1.00 0.00 O ATOM 809 CB TYR A 54 8.623 3.595 0.607 1.00 0.00 C ATOM 810 CG TYR A 54 9.100 3.062 1.967 1.00 0.00 C ATOM 811 CD1 TYR A 54 9.998 3.776 2.767 1.00 0.00 C ATOM 812 CD2 TYR A 54 8.659 1.840 2.440 1.00 0.00 C ATOM 813 CE1 TYR A 54 10.432 3.274 3.983 1.00 0.00 C ATOM 814 CE2 TYR A 54 9.087 1.336 3.655 1.00 0.00 C ATOM 815 CZ TYR A 54 9.967 2.050 4.418 1.00 0.00 C ATOM 816 OH TYR A 54 10.385 1.543 5.632 1.00 0.00 O ATOM 0 H TYR A 54 8.212 6.108 1.014 1.00 0.00 H new ATOM 0 HA TYR A 54 10.490 4.512 0.329 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.589 3.926 0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.631 2.777 -0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.360 4.736 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.964 1.265 1.847 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.129 3.837 4.586 1.00 0.00 H new ATOM 0 HE2 TYR A 54 8.726 0.379 4.000 1.00 0.00 H new ATOM 0 HH TYR A 54 10.480 0.570 5.565 1.00 0.00 H new ATOM 826 N ALA A 55 8.497 5.529 -2.022 1.00 0.00 N ATOM 827 CA ALA A 55 8.384 5.628 -3.482 1.00 0.00 C ATOM 828 C ALA A 55 9.202 6.803 -4.049 1.00 0.00 C ATOM 829 O ALA A 55 9.020 7.206 -5.206 1.00 0.00 O ATOM 830 CB ALA A 55 6.923 5.721 -3.917 1.00 0.00 C ATOM 0 H ALA A 55 7.780 6.042 -1.509 1.00 0.00 H new ATOM 0 HA ALA A 55 8.806 4.712 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.871 5.793 -5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.388 4.831 -3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.467 6.605 -3.472 1.00 0.00 H new ATOM 836 N LYS A 56 10.118 7.322 -3.265 1.00 0.00 N ATOM 837 CA LYS A 56 10.972 8.411 -3.724 1.00 0.00 C ATOM 838 C LYS A 56 12.432 8.079 -3.484 1.00 0.00 C ATOM 839 O LYS A 56 13.284 8.393 -4.307 1.00 0.00 O ATOM 840 CB LYS A 56 10.649 9.720 -2.998 1.00 0.00 C ATOM 841 CG LYS A 56 10.874 10.975 -3.821 1.00 0.00 C ATOM 842 CD LYS A 56 9.952 11.018 -5.035 1.00 0.00 C ATOM 843 CE LYS A 56 8.474 11.007 -4.649 1.00 0.00 C ATOM 844 NZ LYS A 56 7.596 11.021 -5.840 1.00 0.00 N1+ ATOM 0 H LYS A 56 10.296 7.015 -2.309 1.00 0.00 H new ATOM 0 HA LYS A 56 10.785 8.536 -4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.607 9.694 -2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.259 9.779 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.702 11.854 -3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.913 11.015 -4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.165 11.914 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.163 10.163 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.261 10.121 -4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.255 11.873 -4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.601 11.013 -5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.782 11.879 -6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.788 10.181 -6.422 1.00 0.00 H new ATOM 858 N SER A 57 12.711 7.422 -2.382 1.00 0.00 N ATOM 859 CA SER A 57 14.081 7.147 -1.993 1.00 0.00 C ATOM 860 C SER A 57 14.554 5.841 -2.633 1.00 0.00 C ATOM 861 O SER A 57 13.855 5.274 -3.460 1.00 0.00 O ATOM 862 CB SER A 57 14.148 7.071 -0.474 1.00 0.00 C ATOM 863 OG SER A 57 13.491 8.193 0.097 1.00 0.00 O ATOM 0 H SER A 57 12.007 7.066 -1.735 1.00 0.00 H new ATOM 0 HA SER A 57 14.740 7.943 -2.340 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.681 6.150 -0.127 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.188 7.043 -0.148 1.00 0.00 H new ATOM 0 HG SER A 57 12.553 7.969 0.272 1.00 0.00 H new ATOM 869 N GLU A 58 15.686 5.323 -2.203 1.00 0.00 N ATOM 870 CA GLU A 58 16.298 4.119 -2.803 1.00 0.00 C ATOM 871 C GLU A 58 15.567 2.828 -2.409 1.00 0.00 C ATOM 872 O GLU A 58 16.119 1.724 -2.491 1.00 0.00 O ATOM 873 CB GLU A 58 17.751 4.045 -2.387 1.00 0.00 C ATOM 874 CG GLU A 58 18.504 5.307 -2.723 1.00 0.00 C ATOM 875 CD GLU A 58 18.502 5.605 -4.198 1.00 0.00 C ATOM 876 OE1 GLU A 58 19.278 4.970 -4.943 1.00 0.00 O1- ATOM 877 OE2 GLU A 58 17.709 6.450 -4.644 1.00 0.00 O ATOM 0 H GLU A 58 16.221 5.713 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 58 16.217 4.206 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.811 3.863 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.226 3.198 -2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.060 6.145 -2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 58 19.533 5.215 -2.376 1.00 0.00 H new ATOM 884 N PHE A 59 14.326 2.966 -2.038 1.00 0.00 N ATOM 885 CA PHE A 59 13.513 1.837 -1.651 1.00 0.00 C ATOM 886 C PHE A 59 12.316 1.764 -2.548 1.00 0.00 C ATOM 887 O PHE A 59 11.494 0.894 -2.390 1.00 0.00 O ATOM 888 CB PHE A 59 12.977 1.962 -0.239 1.00 0.00 C ATOM 889 CG PHE A 59 13.966 2.427 0.785 1.00 0.00 C ATOM 890 CD1 PHE A 59 14.941 1.575 1.262 1.00 0.00 C ATOM 891 CD2 PHE A 59 13.919 3.722 1.265 1.00 0.00 C ATOM 892 CE1 PHE A 59 15.852 2.003 2.201 1.00 0.00 C ATOM 893 CE2 PHE A 59 14.826 4.159 2.204 1.00 0.00 C ATOM 894 CZ PHE A 59 15.794 3.298 2.671 1.00 0.00 C ATOM 0 H PHE A 59 13.844 3.864 -1.994 1.00 0.00 H new ATOM 0 HA PHE A 59 14.151 0.956 -1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.136 2.655 -0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.588 0.992 0.071 1.00 0.00 H new ATOM 0 HD1 PHE A 59 14.990 0.561 0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 59 13.162 4.399 0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 59 16.610 1.327 2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.779 5.173 2.573 1.00 0.00 H new ATOM 0 HZ PHE A 59 16.509 3.637 3.406 1.00 0.00 H new ATOM 904 N LYS A 60 12.229 2.658 -3.511 1.00 0.00 N ATOM 905 CA LYS A 60 11.065 2.724 -4.399 1.00 0.00 C ATOM 906 C LYS A 60 11.059 1.604 -5.422 1.00 0.00 C ATOM 907 O LYS A 60 10.167 1.502 -6.283 1.00 0.00 O ATOM 908 CB LYS A 60 10.983 4.099 -5.028 1.00 0.00 C ATOM 909 CG LYS A 60 12.195 4.505 -5.779 1.00 0.00 C ATOM 910 CD LYS A 60 12.064 5.887 -6.339 1.00 0.00 C ATOM 911 CE LYS A 60 13.355 6.325 -6.973 1.00 0.00 C ATOM 912 NZ LYS A 60 13.268 7.703 -7.510 1.00 0.00 N1+ ATOM 0 H LYS A 60 12.948 3.355 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 60 10.163 2.571 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.127 4.126 -5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.794 4.833 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.063 4.460 -5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.373 3.799 -6.590 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.263 5.912 -7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.788 6.582 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.157 6.272 -6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.616 5.638 -7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.178 7.967 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.520 7.748 -8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.045 8.363 -6.738 1.00 0.00 H new ATOM 926 N ASP A 61 12.069 0.799 -5.340 1.00 0.00 N ATOM 927 CA ASP A 61 12.153 -0.421 -6.101 1.00 0.00 C ATOM 928 C ASP A 61 12.262 -1.602 -5.126 1.00 0.00 C ATOM 929 O ASP A 61 12.385 -2.759 -5.511 1.00 0.00 O ATOM 930 CB ASP A 61 13.335 -0.370 -7.077 1.00 0.00 C ATOM 931 CG ASP A 61 13.381 -1.556 -8.008 1.00 0.00 C ATOM 932 OD1 ASP A 61 12.531 -1.627 -8.933 1.00 0.00 O1- ATOM 933 OD2 ASP A 61 14.262 -2.430 -7.840 1.00 0.00 O ATOM 0 H ASP A 61 12.874 0.966 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 61 11.255 -0.548 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.274 0.545 -7.666 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.265 -0.323 -6.511 1.00 0.00 H new ATOM 938 N ARG A 62 12.163 -1.288 -3.843 1.00 0.00 N ATOM 939 CA ARG A 62 12.238 -2.285 -2.798 1.00 0.00 C ATOM 940 C ARG A 62 10.834 -2.612 -2.376 1.00 0.00 C ATOM 941 O ARG A 62 10.429 -3.765 -2.251 1.00 0.00 O ATOM 942 CB ARG A 62 13.015 -1.711 -1.618 1.00 0.00 C ATOM 943 CG ARG A 62 13.331 -2.707 -0.549 1.00 0.00 C ATOM 944 CD ARG A 62 14.097 -2.083 0.603 1.00 0.00 C ATOM 945 NE ARG A 62 14.449 -3.080 1.623 1.00 0.00 N ATOM 946 CZ ARG A 62 15.127 -2.830 2.755 1.00 0.00 C ATOM 947 NH1 ARG A 62 15.444 -1.581 3.105 1.00 0.00 N1+ ATOM 948 NH2 ARG A 62 15.435 -3.832 3.557 1.00 0.00 N ATOM 0 H ARG A 62 12.029 -0.336 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 62 12.744 -3.184 -3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.947 -1.282 -1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.439 -0.896 -1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.405 -3.143 -0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.917 -3.522 -0.975 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.005 -1.613 0.225 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.495 -1.295 1.056 1.00 0.00 H new ATOM 0 HE ARG A 62 14.154 -4.042 1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.171 -0.799 2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.959 -1.408 3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.158 -4.783 3.314 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.950 -3.655 4.420 1.00 0.00 H new ATOM 962 N VAL A 63 10.138 -1.575 -2.146 1.00 0.00 N ATOM 963 CA VAL A 63 8.777 -1.565 -1.789 1.00 0.00 C ATOM 964 C VAL A 63 8.093 -0.315 -2.350 1.00 0.00 C ATOM 965 O VAL A 63 8.668 0.769 -2.370 1.00 0.00 O ATOM 966 CB VAL A 63 8.651 -1.623 -0.259 1.00 0.00 C ATOM 967 CG1 VAL A 63 9.547 -0.609 0.394 1.00 0.00 C ATOM 968 CG2 VAL A 63 7.212 -1.484 0.223 1.00 0.00 C ATOM 0 H VAL A 63 10.533 -0.636 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 63 8.281 -2.438 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 63 8.980 -2.617 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.438 -0.671 1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.583 -0.810 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.270 0.391 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.187 -1.533 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.809 -0.527 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.610 -2.293 -0.190 1.00 0.00 H new ATOM 978 N VAL A 64 6.909 -0.487 -2.842 1.00 0.00 N ATOM 979 CA VAL A 64 6.117 0.601 -3.340 1.00 0.00 C ATOM 980 C VAL A 64 4.874 0.698 -2.488 1.00 0.00 C ATOM 981 O VAL A 64 4.244 -0.320 -2.178 1.00 0.00 O ATOM 982 CB VAL A 64 5.734 0.410 -4.845 1.00 0.00 C ATOM 983 CG1 VAL A 64 4.779 1.502 -5.320 1.00 0.00 C ATOM 984 CG2 VAL A 64 6.981 0.424 -5.706 1.00 0.00 C ATOM 0 H VAL A 64 6.455 -1.398 -2.912 1.00 0.00 H new ATOM 0 HA VAL A 64 6.699 1.521 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 64 5.231 -0.553 -4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.533 1.339 -6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.866 1.471 -4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.254 2.476 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.703 0.290 -6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.495 1.378 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.643 -0.386 -5.400 1.00 0.00 H new ATOM 994 N ILE A 65 4.557 1.882 -2.048 1.00 0.00 N ATOM 995 CA ILE A 65 3.386 2.081 -1.282 1.00 0.00 C ATOM 996 C ILE A 65 2.294 2.478 -2.272 1.00 0.00 C ATOM 997 O ILE A 65 2.452 3.462 -3.001 1.00 0.00 O ATOM 998 CB ILE A 65 3.630 3.201 -0.228 1.00 0.00 C ATOM 999 CG1 ILE A 65 4.916 2.915 0.584 1.00 0.00 C ATOM 1000 CG2 ILE A 65 2.452 3.331 0.711 1.00 0.00 C ATOM 1001 CD1 ILE A 65 4.907 1.602 1.344 1.00 0.00 C ATOM 0 H ILE A 65 5.107 2.725 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 65 3.098 1.185 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 65 3.750 4.141 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.768 2.919 -0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.070 3.728 1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.650 4.120 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.557 3.579 0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.298 2.387 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.847 1.487 1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.079 1.598 2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.788 0.776 0.642 1.00 0.00 H new ATOM 1013 N ALA A 66 1.246 1.687 -2.352 1.00 0.00 N ATOM 1014 CA ALA A 66 0.168 1.918 -3.294 1.00 0.00 C ATOM 1015 C ALA A 66 -1.201 1.950 -2.601 1.00 0.00 C ATOM 1016 O ALA A 66 -1.346 1.539 -1.449 1.00 0.00 O ATOM 1017 CB ALA A 66 0.185 0.836 -4.365 1.00 0.00 C ATOM 0 H ALA A 66 1.115 0.863 -1.765 1.00 0.00 H new ATOM 0 HA ALA A 66 0.326 2.895 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.626 1.011 -5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.138 0.861 -4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.055 -0.140 -3.898 1.00 0.00 H new ATOM 1023 N LYS A 67 -2.196 2.436 -3.311 1.00 0.00 N ATOM 1024 CA LYS A 67 -3.551 2.509 -2.824 1.00 0.00 C ATOM 1025 C LYS A 67 -4.460 2.241 -3.966 1.00 0.00 C ATOM 1026 O LYS A 67 -4.054 2.381 -5.101 1.00 0.00 O ATOM 1027 CB LYS A 67 -3.918 3.911 -2.292 1.00 0.00 C ATOM 1028 CG LYS A 67 -3.220 4.365 -1.036 1.00 0.00 C ATOM 1029 CD LYS A 67 -3.754 5.718 -0.535 1.00 0.00 C ATOM 1030 CE LYS A 67 -3.556 6.822 -1.558 1.00 0.00 C ATOM 1031 NZ LYS A 67 -3.990 8.136 -1.058 1.00 0.00 N1+ ATOM 0 H LYS A 67 -2.081 2.797 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.646 1.788 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.710 4.638 -3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.993 3.935 -2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.350 3.613 -0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.150 4.446 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.815 5.625 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.247 5.987 0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.503 6.872 -1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.113 6.579 -2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.835 8.856 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.001 8.099 -0.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.441 8.383 -0.210 1.00 0.00 H new ATOM 1045 N VAL A 68 -5.660 1.885 -3.667 1.00 0.00 N ATOM 1046 CA VAL A 68 -6.703 1.748 -4.648 1.00 0.00 C ATOM 1047 C VAL A 68 -7.956 2.193 -3.966 1.00 0.00 C ATOM 1048 O VAL A 68 -8.112 2.001 -2.742 1.00 0.00 O ATOM 1049 CB VAL A 68 -6.881 0.286 -5.198 1.00 0.00 C ATOM 1050 CG1 VAL A 68 -7.234 -0.650 -4.066 1.00 0.00 C ATOM 1051 CG2 VAL A 68 -7.991 0.239 -6.262 1.00 0.00 C ATOM 0 H VAL A 68 -5.960 1.674 -2.715 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.451 2.345 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.941 -0.026 -5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.356 -1.661 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.436 -0.640 -3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.165 -0.325 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.099 -0.781 -6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.932 0.567 -5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.729 0.898 -7.090 1.00 0.00 H new ATOM 1061 N ASP A 69 -8.803 2.808 -4.676 1.00 0.00 N ATOM 1062 CA ASP A 69 -10.010 3.265 -4.106 1.00 0.00 C ATOM 1063 C ASP A 69 -11.013 2.138 -4.217 1.00 0.00 C ATOM 1064 O ASP A 69 -11.378 1.743 -5.300 1.00 0.00 O ATOM 1065 CB ASP A 69 -10.498 4.501 -4.829 1.00 0.00 C ATOM 1066 CG ASP A 69 -11.628 5.143 -4.124 1.00 0.00 C ATOM 1067 OD1 ASP A 69 -12.622 4.474 -3.905 1.00 0.00 O ATOM 1068 OD2 ASP A 69 -11.540 6.346 -3.831 1.00 0.00 O1- ATOM 0 H ASP A 69 -8.688 3.013 -5.669 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.868 3.541 -3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.678 5.213 -4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.806 4.232 -5.839 1.00 0.00 H new ATOM 1073 N ALA A 70 -11.481 1.669 -3.102 1.00 0.00 N ATOM 1074 CA ALA A 70 -12.336 0.496 -3.033 1.00 0.00 C ATOM 1075 C ALA A 70 -13.765 0.815 -3.419 1.00 0.00 C ATOM 1076 O ALA A 70 -14.614 -0.090 -3.516 1.00 0.00 O ATOM 1077 CB ALA A 70 -12.307 -0.068 -1.630 1.00 0.00 C ATOM 0 H ALA A 70 -11.284 2.088 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.954 -0.237 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.948 -0.948 -1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.286 -0.348 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.666 0.684 -0.928 1.00 0.00 H new ATOM 1083 N THR A 71 -14.044 2.068 -3.625 1.00 0.00 N ATOM 1084 CA THR A 71 -15.376 2.472 -3.938 1.00 0.00 C ATOM 1085 C THR A 71 -15.451 3.159 -5.310 1.00 0.00 C ATOM 1086 O THR A 71 -16.502 3.155 -5.953 1.00 0.00 O ATOM 1087 CB THR A 71 -15.978 3.351 -2.795 1.00 0.00 C ATOM 1088 OG1 THR A 71 -17.344 3.679 -3.047 1.00 0.00 O ATOM 1089 CG2 THR A 71 -15.195 4.627 -2.575 1.00 0.00 C ATOM 0 H THR A 71 -13.364 2.827 -3.581 1.00 0.00 H new ATOM 0 HA THR A 71 -15.992 1.576 -4.009 1.00 0.00 H new ATOM 0 HB THR A 71 -15.914 2.746 -1.891 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.690 4.228 -2.312 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.654 5.202 -1.771 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.168 4.382 -2.305 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.198 5.218 -3.491 1.00 0.00 H new ATOM 1097 N ALA A 72 -14.344 3.708 -5.771 1.00 0.00 N ATOM 1098 CA ALA A 72 -14.306 4.371 -7.040 1.00 0.00 C ATOM 1099 C ALA A 72 -13.731 3.448 -8.057 1.00 0.00 C ATOM 1100 O ALA A 72 -13.965 3.596 -9.257 1.00 0.00 O ATOM 1101 CB ALA A 72 -13.495 5.643 -6.967 1.00 0.00 C ATOM 0 H ALA A 72 -13.455 3.702 -5.272 1.00 0.00 H new ATOM 0 HA ALA A 72 -15.322 4.644 -7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.484 6.124 -7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.941 6.317 -6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.474 5.407 -6.668 1.00 0.00 H new ATOM 1107 N ASN A 73 -12.954 2.506 -7.588 1.00 0.00 N ATOM 1108 CA ASN A 73 -12.390 1.515 -8.435 1.00 0.00 C ATOM 1109 C ASN A 73 -12.937 0.210 -7.921 1.00 0.00 C ATOM 1110 O ASN A 73 -12.479 -0.284 -6.905 1.00 0.00 O ATOM 1111 CB ASN A 73 -10.830 1.461 -8.365 1.00 0.00 C ATOM 1112 CG ASN A 73 -10.076 2.789 -8.129 1.00 0.00 C ATOM 1113 OD1 ASN A 73 -9.026 2.817 -7.509 1.00 0.00 O ATOM 1114 ND2 ASN A 73 -10.544 3.854 -8.641 1.00 0.00 N ATOM 0 H ASN A 73 -12.701 2.414 -6.604 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.642 1.730 -9.473 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.554 0.772 -7.567 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.467 1.030 -9.298 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.041 4.735 -8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.422 3.828 -9.159 1.00 0.00 H new ATOM 1121 N ASP A 74 -13.984 -0.286 -8.543 1.00 0.00 N ATOM 1122 CA ASP A 74 -14.611 -1.539 -8.105 1.00 0.00 C ATOM 1123 C ASP A 74 -13.611 -2.677 -8.088 1.00 0.00 C ATOM 1124 O ASP A 74 -13.103 -3.094 -9.129 1.00 0.00 O ATOM 1125 CB ASP A 74 -15.805 -1.891 -8.977 1.00 0.00 C ATOM 1126 CG ASP A 74 -16.413 -3.233 -8.639 1.00 0.00 C ATOM 1127 OD1 ASP A 74 -17.125 -3.346 -7.622 1.00 0.00 O ATOM 1128 OD2 ASP A 74 -16.228 -4.189 -9.408 1.00 0.00 O1- ATOM 0 H ASP A 74 -14.427 0.149 -9.353 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.968 -1.386 -7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -16.565 -1.117 -8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -15.496 -1.892 -10.022 1.00 0.00 H new ATOM 1133 N VAL A 75 -13.303 -3.135 -6.913 1.00 0.00 N ATOM 1134 CA VAL A 75 -12.315 -4.164 -6.752 1.00 0.00 C ATOM 1135 C VAL A 75 -12.945 -5.532 -6.581 1.00 0.00 C ATOM 1136 O VAL A 75 -14.002 -5.675 -5.969 1.00 0.00 O ATOM 1137 CB VAL A 75 -11.320 -3.905 -5.573 1.00 0.00 C ATOM 1138 CG1 VAL A 75 -10.504 -2.643 -5.790 1.00 0.00 C ATOM 1139 CG2 VAL A 75 -12.027 -3.872 -4.223 1.00 0.00 C ATOM 0 H VAL A 75 -13.725 -2.810 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.741 -4.139 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.630 -4.748 -5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.826 -2.499 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.927 -2.737 -6.710 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.173 -1.786 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.297 -3.690 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.770 -3.075 -4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.520 -4.828 -4.047 1.00 0.00 H new ATOM 1149 N PRO A 76 -12.312 -6.551 -7.146 1.00 0.00 N ATOM 1150 CA PRO A 76 -12.731 -7.947 -6.988 1.00 0.00 C ATOM 1151 C PRO A 76 -11.960 -8.599 -5.828 1.00 0.00 C ATOM 1152 O PRO A 76 -12.079 -9.802 -5.554 1.00 0.00 O ATOM 1153 CB PRO A 76 -12.246 -8.537 -8.304 1.00 0.00 C ATOM 1154 CG PRO A 76 -10.930 -7.857 -8.499 1.00 0.00 C ATOM 1155 CD PRO A 76 -11.141 -6.438 -8.059 1.00 0.00 C ATOM 0 HA PRO A 76 -13.792 -8.082 -6.778 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.138 -9.620 -8.248 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.936 -8.327 -9.121 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.149 -8.338 -7.910 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.616 -7.902 -9.542 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.266 -6.038 -7.548 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.347 -5.779 -8.902 1.00 0.00 H new ATOM 1163 N ASP A 77 -11.138 -7.791 -5.197 1.00 0.00 N ATOM 1164 CA ASP A 77 -10.256 -8.225 -4.144 1.00 0.00 C ATOM 1165 C ASP A 77 -11.019 -8.338 -2.826 1.00 0.00 C ATOM 1166 O ASP A 77 -12.143 -7.827 -2.691 1.00 0.00 O ATOM 1167 CB ASP A 77 -9.070 -7.252 -4.004 1.00 0.00 C ATOM 1168 CG ASP A 77 -7.841 -7.882 -3.351 1.00 0.00 C ATOM 1169 OD1 ASP A 77 -7.937 -9.003 -2.802 1.00 0.00 O1- ATOM 1170 OD2 ASP A 77 -6.751 -7.297 -3.424 1.00 0.00 O ATOM 0 H ASP A 77 -11.065 -6.796 -5.407 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.864 -9.209 -4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.797 -6.880 -4.991 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.384 -6.391 -3.414 1.00 0.00 H new ATOM 1175 N GLU A 78 -10.408 -8.990 -1.890 1.00 0.00 N ATOM 1176 CA GLU A 78 -10.978 -9.264 -0.606 1.00 0.00 C ATOM 1177 C GLU A 78 -10.691 -8.135 0.385 1.00 0.00 C ATOM 1178 O GLU A 78 -9.529 -7.765 0.620 1.00 0.00 O ATOM 1179 CB GLU A 78 -10.446 -10.600 -0.097 1.00 0.00 C ATOM 1180 CG GLU A 78 -10.913 -10.978 1.289 1.00 0.00 C ATOM 1181 CD GLU A 78 -10.503 -12.366 1.654 1.00 0.00 C ATOM 1182 OE1 GLU A 78 -9.313 -12.578 2.008 1.00 0.00 O1- ATOM 1183 OE2 GLU A 78 -11.349 -13.286 1.568 1.00 0.00 O ATOM 0 H GLU A 78 -9.464 -9.361 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.062 -9.326 -0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.745 -11.384 -0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.356 -10.568 -0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.503 -10.275 2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.998 -10.894 1.342 1.00 0.00 H new ATOM 1190 N ILE A 79 -11.757 -7.601 0.928 1.00 0.00 N ATOM 1191 CA ILE A 79 -11.735 -6.534 1.912 1.00 0.00 C ATOM 1192 C ILE A 79 -12.067 -7.141 3.282 1.00 0.00 C ATOM 1193 O ILE A 79 -12.932 -8.026 3.371 1.00 0.00 O ATOM 1194 CB ILE A 79 -12.832 -5.487 1.565 1.00 0.00 C ATOM 1195 CG1 ILE A 79 -12.661 -4.934 0.142 1.00 0.00 C ATOM 1196 CG2 ILE A 79 -12.831 -4.351 2.565 1.00 0.00 C ATOM 1197 CD1 ILE A 79 -11.437 -4.072 -0.048 1.00 0.00 C ATOM 0 H ILE A 79 -12.701 -7.905 0.692 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.756 -6.056 1.921 1.00 0.00 H new ATOM 0 HB ILE A 79 -13.792 -6.001 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.614 -5.770 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -13.545 -4.351 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -13.607 -3.633 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -13.026 -4.744 3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.860 -3.857 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -11.394 -3.724 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -11.489 -3.214 0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -10.543 -4.654 0.176 1.00 0.00 H new ATOM 1209 N GLN A 80 -11.392 -6.691 4.332 1.00 0.00 N ATOM 1210 CA GLN A 80 -11.678 -7.200 5.671 1.00 0.00 C ATOM 1211 C GLN A 80 -12.713 -6.305 6.378 1.00 0.00 C ATOM 1212 O GLN A 80 -13.511 -6.768 7.187 1.00 0.00 O ATOM 1213 CB GLN A 80 -10.365 -7.403 6.499 1.00 0.00 C ATOM 1214 CG GLN A 80 -9.520 -6.140 6.757 1.00 0.00 C ATOM 1215 CD GLN A 80 -10.059 -5.234 7.857 1.00 0.00 C ATOM 1216 OE1 GLN A 80 -9.922 -4.014 7.794 1.00 0.00 O ATOM 1217 NE2 GLN A 80 -10.600 -5.816 8.896 1.00 0.00 N ATOM 0 H GLN A 80 -10.655 -5.987 4.287 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.126 -8.190 5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.631 -7.839 7.462 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.742 -8.132 5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.506 -6.443 7.018 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.453 -5.567 5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.700 -6.831 8.918 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.922 -5.255 9.684 1.00 0.00 H new ATOM 1226 N GLY A 81 -12.713 -5.041 6.021 1.00 0.00 N ATOM 1227 CA GLY A 81 -13.646 -4.076 6.599 1.00 0.00 C ATOM 1228 C GLY A 81 -14.267 -3.293 5.493 1.00 0.00 C ATOM 1229 O GLY A 81 -15.085 -3.822 4.753 1.00 0.00 O ATOM 0 H GLY A 81 -12.076 -4.646 5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.414 -4.591 7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.124 -3.411 7.287 1.00 0.00 H new ATOM 1233 N PHE A 82 -13.907 -2.052 5.362 1.00 0.00 N ATOM 1234 CA PHE A 82 -14.239 -1.329 4.162 1.00 0.00 C ATOM 1235 C PHE A 82 -12.929 -0.927 3.498 1.00 0.00 C ATOM 1236 O PHE A 82 -12.740 -1.203 2.311 1.00 0.00 O ATOM 1237 CB PHE A 82 -15.235 -0.165 4.342 1.00 0.00 C ATOM 1238 CG PHE A 82 -15.702 0.407 3.027 1.00 0.00 C ATOM 1239 CD1 PHE A 82 -14.954 1.365 2.346 1.00 0.00 C ATOM 1240 CD2 PHE A 82 -16.891 -0.022 2.473 1.00 0.00 C ATOM 1241 CE1 PHE A 82 -15.397 1.873 1.140 1.00 0.00 C ATOM 1242 CE2 PHE A 82 -17.338 0.484 1.271 1.00 0.00 C ATOM 1243 CZ PHE A 82 -16.592 1.434 0.605 1.00 0.00 C ATOM 0 H PHE A 82 -13.389 -1.519 6.061 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.807 -1.988 3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.098 -0.514 4.909 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -14.765 0.623 4.930 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -14.021 1.713 2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.480 -0.766 2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -14.809 2.613 0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.271 0.137 0.852 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.942 1.834 -0.335 1.00 0.00 H new ATOM 1253 N PRO A 83 -11.988 -0.252 4.218 1.00 0.00 N ATOM 1254 CA PRO A 83 -10.642 -0.135 3.750 1.00 0.00 C ATOM 1255 C PRO A 83 -9.828 -1.294 4.279 1.00 0.00 C ATOM 1256 O PRO A 83 -10.238 -1.967 5.240 1.00 0.00 O ATOM 1257 CB PRO A 83 -10.140 1.169 4.354 1.00 0.00 C ATOM 1258 CG PRO A 83 -11.277 1.722 5.146 1.00 0.00 C ATOM 1259 CD PRO A 83 -12.150 0.545 5.448 1.00 0.00 C ATOM 0 HA PRO A 83 -10.568 -0.143 2.663 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.271 0.996 4.989 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -9.832 1.866 3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.925 2.197 6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.819 2.480 4.581 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.820 0.005 6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.187 0.834 5.618 1.00 0.00 H new ATOM 1267 N THR A 84 -8.712 -1.543 3.687 1.00 0.00 N ATOM 1268 CA THR A 84 -7.878 -2.668 4.082 1.00 0.00 C ATOM 1269 C THR A 84 -6.466 -2.454 3.562 1.00 0.00 C ATOM 1270 O THR A 84 -6.285 -1.928 2.472 1.00 0.00 O ATOM 1271 CB THR A 84 -8.454 -4.037 3.523 1.00 0.00 C ATOM 1272 OG1 THR A 84 -9.782 -4.281 4.046 1.00 0.00 O ATOM 1273 CG2 THR A 84 -7.560 -5.217 3.889 1.00 0.00 C ATOM 0 H THR A 84 -8.337 -0.988 2.918 1.00 0.00 H new ATOM 0 HA THR A 84 -7.870 -2.726 5.170 1.00 0.00 H new ATOM 0 HB THR A 84 -8.490 -3.946 2.437 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.955 -3.674 4.796 1.00 0.00 H new ATOM 0 HG21 THR A 84 -7.988 -6.136 3.488 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.567 -5.065 3.467 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.485 -5.294 4.974 1.00 0.00 H new ATOM 1281 N ILE A 85 -5.490 -2.809 4.343 1.00 0.00 N ATOM 1282 CA ILE A 85 -4.135 -2.752 3.904 1.00 0.00 C ATOM 1283 C ILE A 85 -3.679 -4.159 3.658 1.00 0.00 C ATOM 1284 O ILE A 85 -3.879 -5.027 4.479 1.00 0.00 O ATOM 1285 CB ILE A 85 -3.189 -2.070 4.921 1.00 0.00 C ATOM 1286 CG1 ILE A 85 -3.660 -0.649 5.209 1.00 0.00 C ATOM 1287 CG2 ILE A 85 -1.744 -2.060 4.399 1.00 0.00 C ATOM 1288 CD1 ILE A 85 -2.718 0.126 6.084 1.00 0.00 C ATOM 0 H ILE A 85 -5.614 -3.145 5.298 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.095 -2.145 3.000 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.212 -2.642 5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.787 -0.118 4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.639 -0.689 5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.096 -1.576 5.130 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.408 -3.084 4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.701 -1.513 3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.115 1.128 6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.609 -0.383 7.042 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.745 0.196 5.598 1.00 0.00 H new ATOM 1300 N LYS A 86 -3.134 -4.391 2.527 1.00 0.00 N ATOM 1301 CA LYS A 86 -2.645 -5.675 2.176 1.00 0.00 C ATOM 1302 C LYS A 86 -1.297 -5.543 1.537 1.00 0.00 C ATOM 1303 O LYS A 86 -1.103 -4.759 0.628 1.00 0.00 O ATOM 1304 CB LYS A 86 -3.615 -6.457 1.276 1.00 0.00 C ATOM 1305 CG LYS A 86 -4.961 -6.747 1.930 1.00 0.00 C ATOM 1306 CD LYS A 86 -5.638 -8.004 1.398 1.00 0.00 C ATOM 1307 CE LYS A 86 -6.015 -7.916 -0.063 1.00 0.00 C ATOM 1308 NZ LYS A 86 -6.715 -9.137 -0.495 1.00 0.00 N1+ ATOM 0 H LYS A 86 -3.011 -3.684 1.802 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.554 -6.257 3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.781 -5.892 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.150 -7.400 0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.819 -6.848 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.622 -5.895 1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.971 -8.854 1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.535 -8.199 1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.653 -7.048 -0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.119 -7.772 -0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.453 -8.889 -1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.035 -9.789 -0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.151 -9.597 0.329 1.00 0.00 H new ATOM 1322 N LEU A 87 -0.378 -6.287 2.020 1.00 0.00 N ATOM 1323 CA LEU A 87 0.967 -6.236 1.548 1.00 0.00 C ATOM 1324 C LEU A 87 1.150 -7.382 0.623 1.00 0.00 C ATOM 1325 O LEU A 87 0.950 -8.523 1.026 1.00 0.00 O ATOM 1326 CB LEU A 87 1.887 -6.351 2.776 1.00 0.00 C ATOM 1327 CG LEU A 87 3.469 -6.252 2.661 1.00 0.00 C ATOM 1328 CD1 LEU A 87 4.067 -7.521 2.146 1.00 0.00 C ATOM 1329 CD2 LEU A 87 3.883 -5.120 1.750 1.00 0.00 C ATOM 0 H LEU A 87 -0.533 -6.963 2.768 1.00 0.00 H new ATOM 0 HA LEU A 87 1.199 -5.312 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.575 -5.576 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.666 -7.310 3.244 1.00 0.00 H new ATOM 0 HG LEU A 87 3.839 -6.065 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.150 -7.413 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.823 -8.339 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.665 -7.737 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.971 -5.079 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.473 -5.286 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.505 -4.178 2.146 1.00 0.00 H new ATOM 1341 N TYR A 88 1.433 -7.091 -0.602 1.00 0.00 N ATOM 1342 CA TYR A 88 1.772 -8.097 -1.558 1.00 0.00 C ATOM 1343 C TYR A 88 3.279 -8.115 -1.660 1.00 0.00 C ATOM 1344 O TYR A 88 3.863 -7.239 -2.282 1.00 0.00 O ATOM 1345 CB TYR A 88 1.152 -7.820 -2.940 1.00 0.00 C ATOM 1346 CG TYR A 88 -0.354 -7.997 -3.039 1.00 0.00 C ATOM 1347 CD1 TYR A 88 -1.250 -7.173 -2.351 1.00 0.00 C ATOM 1348 CD2 TYR A 88 -0.876 -9.003 -3.830 1.00 0.00 C ATOM 1349 CE1 TYR A 88 -2.621 -7.372 -2.451 1.00 0.00 C ATOM 1350 CE2 TYR A 88 -2.230 -9.200 -3.944 1.00 0.00 C ATOM 1351 CZ TYR A 88 -3.101 -8.392 -3.255 1.00 0.00 C ATOM 1352 OH TYR A 88 -4.453 -8.642 -3.338 1.00 0.00 O ATOM 0 H TYR A 88 1.436 -6.141 -0.974 1.00 0.00 H new ATOM 0 HA TYR A 88 1.377 -9.059 -1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.398 -6.798 -3.229 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.625 -8.480 -3.668 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.871 -6.372 -1.734 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.202 -9.650 -4.372 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.305 -6.738 -1.907 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.610 -9.990 -4.575 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.948 -7.805 -3.216 1.00 0.00 H new ATOM 1362 N PRO A 89 3.941 -9.036 -0.949 1.00 0.00 N ATOM 1363 CA PRO A 89 5.376 -9.121 -0.962 1.00 0.00 C ATOM 1364 C PRO A 89 5.882 -9.554 -2.266 1.00 0.00 C ATOM 1365 O PRO A 89 5.165 -10.236 -3.041 1.00 0.00 O ATOM 1366 CB PRO A 89 5.703 -10.245 -0.008 1.00 0.00 C ATOM 1367 CG PRO A 89 4.448 -10.985 0.185 1.00 0.00 C ATOM 1368 CD PRO A 89 3.354 -10.024 -0.057 1.00 0.00 C ATOM 0 HA PRO A 89 5.807 -8.151 -0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.479 -10.892 -0.417 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.078 -9.857 0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.384 -11.827 -0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.390 -11.393 1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.491 -10.509 -0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.011 -9.569 0.872 1.00 0.00 H new ATOM 1376 N ALA A 90 7.117 -9.291 -2.490 1.00 0.00 N ATOM 1377 CA ALA A 90 7.722 -9.777 -3.660 1.00 0.00 C ATOM 1378 C ALA A 90 8.120 -11.203 -3.434 1.00 0.00 C ATOM 1379 O ALA A 90 9.254 -11.528 -3.096 1.00 0.00 O ATOM 1380 CB ALA A 90 8.904 -8.944 -4.068 1.00 0.00 C ATOM 0 H ALA A 90 7.721 -8.743 -1.877 1.00 0.00 H new ATOM 0 HA ALA A 90 7.007 -9.718 -4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.342 -9.355 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.581 -7.919 -4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.648 -8.953 -3.271 1.00 0.00 H new ATOM 1386 N GLY A 91 7.131 -12.020 -3.506 1.00 0.00 N ATOM 1387 CA GLY A 91 7.318 -13.430 -3.516 1.00 0.00 C ATOM 1388 C GLY A 91 6.083 -14.106 -3.056 1.00 0.00 C ATOM 1389 O GLY A 91 5.640 -15.084 -3.635 1.00 0.00 O ATOM 0 H GLY A 91 6.156 -11.726 -3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.573 -13.765 -4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.153 -13.699 -2.869 1.00 0.00 H new ATOM 1393 N ALA A 92 5.456 -13.528 -2.071 1.00 0.00 N ATOM 1394 CA ALA A 92 4.281 -14.152 -1.489 1.00 0.00 C ATOM 1395 C ALA A 92 3.034 -13.318 -1.758 1.00 0.00 C ATOM 1396 O ALA A 92 2.080 -13.342 -1.006 1.00 0.00 O ATOM 1397 CB ALA A 92 4.493 -14.415 0.003 1.00 0.00 C ATOM 0 H ALA A 92 5.726 -12.638 -1.652 1.00 0.00 H new ATOM 0 HA ALA A 92 4.125 -15.119 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.601 -14.883 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.348 -15.078 0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.681 -13.472 0.516 1.00 0.00 H new ATOM 1403 N LYS A 93 3.036 -12.629 -2.900 1.00 0.00 N ATOM 1404 CA LYS A 93 1.902 -11.797 -3.389 1.00 0.00 C ATOM 1405 C LYS A 93 0.615 -12.621 -3.718 1.00 0.00 C ATOM 1406 O LYS A 93 -0.323 -12.115 -4.317 1.00 0.00 O ATOM 1407 CB LYS A 93 2.369 -10.935 -4.596 1.00 0.00 C ATOM 1408 CG LYS A 93 3.277 -11.628 -5.624 1.00 0.00 C ATOM 1409 CD LYS A 93 2.590 -12.719 -6.424 1.00 0.00 C ATOM 1410 CE LYS A 93 3.578 -13.379 -7.374 1.00 0.00 C ATOM 1411 NZ LYS A 93 2.940 -14.334 -8.292 1.00 0.00 N1+ ATOM 0 H LYS A 93 3.835 -12.624 -3.534 1.00 0.00 H new ATOM 0 HA LYS A 93 1.606 -11.138 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.484 -10.568 -5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.896 -10.063 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.666 -10.878 -6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.133 -12.058 -5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.170 -13.465 -5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.759 -12.297 -6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.086 -12.609 -7.955 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.342 -13.896 -6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.661 -14.752 -8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.478 -15.087 -7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.229 -13.840 -8.868 1.00 0.00 H new ATOM 1425 N GLY A 94 0.591 -13.862 -3.271 1.00 0.00 N ATOM 1426 CA GLY A 94 -0.540 -14.746 -3.436 1.00 0.00 C ATOM 1427 C GLY A 94 -1.215 -14.929 -2.099 1.00 0.00 C ATOM 1428 O GLY A 94 -2.351 -15.394 -2.005 1.00 0.00 O ATOM 0 H GLY A 94 1.373 -14.289 -2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.242 -14.330 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.212 -15.709 -3.828 1.00 0.00 H new ATOM 1432 N GLN A 95 -0.507 -14.499 -1.063 1.00 0.00 N ATOM 1433 CA GLN A 95 -0.985 -14.493 0.284 1.00 0.00 C ATOM 1434 C GLN A 95 -0.519 -13.194 0.963 1.00 0.00 C ATOM 1435 O GLN A 95 0.476 -13.170 1.714 1.00 0.00 O ATOM 1436 CB GLN A 95 -0.540 -15.725 1.074 1.00 0.00 C ATOM 1437 CG GLN A 95 -0.988 -15.708 2.537 1.00 0.00 C ATOM 1438 CD GLN A 95 -0.561 -16.928 3.335 1.00 0.00 C ATOM 1439 OE1 GLN A 95 0.517 -17.561 2.943 1.00 0.00 O flip ATOM 1440 NE2 GLN A 95 -1.228 -17.313 4.301 1.00 0.00 N flip ATOM 0 H GLN A 95 0.442 -14.137 -1.156 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.074 -14.534 0.266 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.936 -16.618 0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.547 -15.798 1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.587 -14.815 3.017 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.074 -15.628 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.063 -16.799 4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.944 -18.145 4.818 1.00 0.00 H new ATOM 1449 N PRO A 96 -1.110 -12.066 0.535 1.00 0.00 N ATOM 1450 CA PRO A 96 -0.930 -10.770 1.161 1.00 0.00 C ATOM 1451 C PRO A 96 -1.120 -10.795 2.655 1.00 0.00 C ATOM 1452 O PRO A 96 -1.804 -11.685 3.213 1.00 0.00 O ATOM 1453 CB PRO A 96 -2.092 -10.000 0.608 1.00 0.00 C ATOM 1454 CG PRO A 96 -2.264 -10.505 -0.747 1.00 0.00 C ATOM 1455 CD PRO A 96 -1.911 -11.944 -0.692 1.00 0.00 C ATOM 0 HA PRO A 96 0.071 -10.382 0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.990 -10.157 1.205 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.892 -8.928 0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.290 -10.367 -1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.621 -9.972 -1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.801 -12.572 -0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.344 -12.250 -1.571 1.00 0.00 H new ATOM 1463 N VAL A 97 -0.601 -9.806 3.314 1.00 0.00 N ATOM 1464 CA VAL A 97 -0.818 -9.710 4.684 1.00 0.00 C ATOM 1465 C VAL A 97 -1.895 -8.699 4.861 1.00 0.00 C ATOM 1466 O VAL A 97 -1.689 -7.511 4.591 1.00 0.00 O ATOM 1467 CB VAL A 97 0.440 -9.310 5.440 1.00 0.00 C ATOM 1468 CG1 VAL A 97 0.163 -9.270 6.936 1.00 0.00 C ATOM 1469 CG2 VAL A 97 1.569 -10.282 5.118 1.00 0.00 C ATOM 0 H VAL A 97 -0.029 -9.066 2.907 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.105 -10.678 5.094 1.00 0.00 H new ATOM 0 HB VAL A 97 0.746 -8.312 5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.071 -8.983 7.467 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.623 -8.543 7.141 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.158 -10.256 7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.467 -9.990 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.277 -11.290 5.414 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.772 -10.262 4.047 1.00 0.00 H new ATOM 1479 N THR A 98 -3.057 -9.195 5.144 1.00 0.00 N ATOM 1480 CA THR A 98 -4.202 -8.385 5.356 1.00 0.00 C ATOM 1481 C THR A 98 -4.138 -7.713 6.718 1.00 0.00 C ATOM 1482 O THR A 98 -3.800 -8.338 7.743 1.00 0.00 O ATOM 1483 CB THR A 98 -5.525 -9.184 5.132 1.00 0.00 C ATOM 1484 OG1 THR A 98 -6.679 -8.363 5.351 1.00 0.00 O ATOM 1485 CG2 THR A 98 -5.602 -10.440 5.999 1.00 0.00 C ATOM 0 H THR A 98 -3.235 -10.195 5.235 1.00 0.00 H new ATOM 0 HA THR A 98 -4.205 -7.591 4.609 1.00 0.00 H new ATOM 0 HB THR A 98 -5.515 -9.501 4.089 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.490 -8.892 5.201 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.541 -10.959 5.805 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.767 -11.099 5.760 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.553 -10.159 7.051 1.00 0.00 H new ATOM 1493 N TYR A 99 -4.394 -6.452 6.698 1.00 0.00 N ATOM 1494 CA TYR A 99 -4.316 -5.598 7.820 1.00 0.00 C ATOM 1495 C TYR A 99 -5.482 -4.637 7.780 1.00 0.00 C ATOM 1496 O TYR A 99 -5.932 -4.249 6.698 1.00 0.00 O ATOM 1497 CB TYR A 99 -3.015 -4.831 7.702 1.00 0.00 C ATOM 1498 CG TYR A 99 -2.020 -5.086 8.803 1.00 0.00 C ATOM 1499 CD1 TYR A 99 -1.157 -6.176 8.733 1.00 0.00 C ATOM 1500 CD2 TYR A 99 -1.915 -4.239 9.891 1.00 0.00 C ATOM 1501 CE1 TYR A 99 -0.220 -6.410 9.719 1.00 0.00 C ATOM 1502 CE2 TYR A 99 -0.977 -4.465 10.879 1.00 0.00 C ATOM 1503 CZ TYR A 99 -0.133 -5.553 10.788 1.00 0.00 C ATOM 1504 OH TYR A 99 0.812 -5.775 11.771 1.00 0.00 O ATOM 0 H TYR A 99 -4.679 -5.966 5.848 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.349 -6.157 8.755 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.550 -5.080 6.748 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.241 -3.765 7.678 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.222 -6.851 7.892 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.576 -3.389 9.969 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.440 -7.262 9.650 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.904 -3.792 11.721 1.00 0.00 H new ATOM 0 HH TYR A 99 0.742 -5.077 12.456 1.00 0.00 H new ATOM 1514 N SER A 100 -5.977 -4.268 8.929 1.00 0.00 N ATOM 1515 CA SER A 100 -7.079 -3.346 9.017 1.00 0.00 C ATOM 1516 C SER A 100 -6.614 -1.920 8.690 1.00 0.00 C ATOM 1517 O SER A 100 -7.103 -1.280 7.750 1.00 0.00 O ATOM 1518 CB SER A 100 -7.688 -3.438 10.417 1.00 0.00 C ATOM 1519 OG SER A 100 -6.662 -3.367 11.406 1.00 0.00 O ATOM 0 H SER A 100 -5.630 -4.596 9.830 1.00 0.00 H new ATOM 0 HA SER A 100 -7.844 -3.606 8.285 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.402 -2.628 10.565 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.240 -4.372 10.521 1.00 0.00 H new ATOM 0 HG SER A 100 -7.063 -3.425 12.298 1.00 0.00 H new ATOM 1525 N GLY A 101 -5.675 -1.443 9.462 1.00 0.00 N ATOM 1526 CA GLY A 101 -5.115 -0.147 9.259 1.00 0.00 C ATOM 1527 C GLY A 101 -4.204 0.197 10.388 1.00 0.00 C ATOM 1528 O GLY A 101 -4.594 0.101 11.545 1.00 0.00 O ATOM 0 H GLY A 101 -5.279 -1.951 10.253 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.566 -0.122 8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.911 0.594 9.184 1.00 0.00 H new ATOM 1532 N SER A 102 -2.985 0.546 10.074 1.00 0.00 N ATOM 1533 CA SER A 102 -2.000 0.851 11.080 1.00 0.00 C ATOM 1534 C SER A 102 -2.291 2.169 11.783 1.00 0.00 C ATOM 1535 O SER A 102 -2.158 2.263 12.996 1.00 0.00 O ATOM 1536 CB SER A 102 -0.642 0.930 10.419 1.00 0.00 C ATOM 1537 OG SER A 102 -0.408 -0.224 9.644 1.00 0.00 O ATOM 0 H SER A 102 -2.646 0.627 9.115 1.00 0.00 H new ATOM 0 HA SER A 102 -2.026 0.062 11.832 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.588 1.817 9.788 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.134 1.031 11.178 1.00 0.00 H new ATOM 0 HG SER A 102 0.267 -0.782 10.084 1.00 0.00 H new ATOM 1543 N ARG A 103 -2.704 3.180 10.990 1.00 0.00 N ATOM 1544 CA ARG A 103 -2.899 4.570 11.470 1.00 0.00 C ATOM 1545 C ARG A 103 -1.543 5.116 11.998 1.00 0.00 C ATOM 1546 O ARG A 103 -1.476 6.022 12.822 1.00 0.00 O ATOM 1547 CB ARG A 103 -4.025 4.633 12.538 1.00 0.00 C ATOM 1548 CG ARG A 103 -4.424 6.031 13.009 1.00 0.00 C ATOM 1549 CD ARG A 103 -5.407 5.951 14.165 1.00 0.00 C ATOM 1550 NE ARG A 103 -4.840 5.217 15.311 1.00 0.00 N ATOM 1551 CZ ARG A 103 -5.553 4.586 16.253 1.00 0.00 C ATOM 1552 NH1 ARG A 103 -6.887 4.643 16.240 1.00 0.00 N1+ ATOM 1553 NH2 ARG A 103 -4.923 3.924 17.217 1.00 0.00 N ATOM 0 H ARG A 103 -2.912 3.059 9.999 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.225 5.207 10.648 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.910 4.141 12.134 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.708 4.055 13.406 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -3.536 6.583 13.318 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.871 6.584 12.183 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.684 6.958 14.478 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.321 5.458 13.833 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.824 5.187 15.393 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.368 5.169 15.510 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.425 4.161 16.960 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.903 3.899 17.236 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -5.459 3.441 17.938 1.00 0.00 H new ATOM 1567 N THR A 104 -0.470 4.556 11.462 1.00 0.00 N ATOM 1568 CA THR A 104 0.866 4.943 11.820 1.00 0.00 C ATOM 1569 C THR A 104 1.852 4.475 10.742 1.00 0.00 C ATOM 1570 O THR A 104 1.539 3.568 9.956 1.00 0.00 O ATOM 1571 CB THR A 104 1.258 4.368 13.215 1.00 0.00 C ATOM 1572 OG1 THR A 104 2.586 4.750 13.568 1.00 0.00 O ATOM 1573 CG2 THR A 104 1.157 2.860 13.250 1.00 0.00 C ATOM 0 H THR A 104 -0.513 3.815 10.762 1.00 0.00 H new ATOM 0 HA THR A 104 0.907 6.030 11.886 1.00 0.00 H new ATOM 0 HB THR A 104 0.552 4.784 13.934 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.810 4.380 14.447 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.439 2.499 14.239 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.132 2.559 13.032 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.827 2.433 12.504 1.00 0.00 H new ATOM 1581 N VAL A 105 2.994 5.131 10.687 1.00 0.00 N ATOM 1582 CA VAL A 105 4.075 4.820 9.755 1.00 0.00 C ATOM 1583 C VAL A 105 4.939 3.698 10.315 1.00 0.00 C ATOM 1584 O VAL A 105 5.392 2.823 9.590 1.00 0.00 O ATOM 1585 CB VAL A 105 5.013 6.050 9.547 1.00 0.00 C ATOM 1586 CG1 VAL A 105 6.116 5.722 8.570 1.00 0.00 C ATOM 1587 CG2 VAL A 105 4.260 7.270 9.079 1.00 0.00 C ATOM 0 H VAL A 105 3.207 5.916 11.302 1.00 0.00 H new ATOM 0 HA VAL A 105 3.611 4.534 8.811 1.00 0.00 H new ATOM 0 HB VAL A 105 5.449 6.282 10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.758 6.593 8.440 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.707 4.890 8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.681 5.445 7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.956 8.099 8.949 1.00 0.00 H new ATOM 0 HG22 VAL A 105 3.771 7.054 8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.508 7.540 9.821 1.00 0.00 H new ATOM 1597 N GLU A 106 5.126 3.729 11.619 1.00 0.00 N ATOM 1598 CA GLU A 106 6.047 2.832 12.340 1.00 0.00 C ATOM 1599 C GLU A 106 5.691 1.394 12.101 1.00 0.00 C ATOM 1600 O GLU A 106 6.544 0.539 11.808 1.00 0.00 O ATOM 1601 CB GLU A 106 5.936 3.097 13.820 1.00 0.00 C ATOM 1602 CG GLU A 106 5.930 4.541 14.152 1.00 0.00 C ATOM 1603 CD GLU A 106 6.081 4.784 15.622 1.00 0.00 C ATOM 1604 OE1 GLU A 106 5.068 4.817 16.337 1.00 0.00 O ATOM 1605 OE2 GLU A 106 7.222 4.920 16.100 1.00 0.00 O1- ATOM 0 H GLU A 106 4.640 4.385 12.231 1.00 0.00 H new ATOM 0 HA GLU A 106 7.058 3.020 11.980 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.022 2.639 14.198 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.769 2.616 14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.740 5.038 13.618 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.998 4.988 13.805 1.00 0.00 H new ATOM 1612 N ASP A 107 4.433 1.158 12.199 1.00 0.00 N ATOM 1613 CA ASP A 107 3.862 -0.186 12.040 1.00 0.00 C ATOM 1614 C ASP A 107 4.002 -0.633 10.611 1.00 0.00 C ATOM 1615 O ASP A 107 4.225 -1.798 10.339 1.00 0.00 O ATOM 1616 CB ASP A 107 2.396 -0.194 12.453 1.00 0.00 C ATOM 1617 CG ASP A 107 1.714 -1.546 12.331 1.00 0.00 C ATOM 1618 OD1 ASP A 107 2.009 -2.460 13.139 1.00 0.00 O1- ATOM 1619 OD2 ASP A 107 0.828 -1.693 11.483 1.00 0.00 O ATOM 0 H ASP A 107 3.740 1.881 12.393 1.00 0.00 H new ATOM 0 HA ASP A 107 4.405 -0.878 12.685 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.321 0.145 13.486 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.855 0.528 11.841 1.00 0.00 H new ATOM 1624 N LEU A 108 3.964 0.333 9.718 1.00 0.00 N ATOM 1625 CA LEU A 108 4.076 0.094 8.295 1.00 0.00 C ATOM 1626 C LEU A 108 5.468 -0.290 7.890 1.00 0.00 C ATOM 1627 O LEU A 108 5.647 -1.186 7.094 1.00 0.00 O ATOM 1628 CB LEU A 108 3.626 1.287 7.517 1.00 0.00 C ATOM 1629 CG LEU A 108 2.129 1.460 7.369 1.00 0.00 C ATOM 1630 CD1 LEU A 108 1.831 2.722 6.607 1.00 0.00 C ATOM 1631 CD2 LEU A 108 1.543 0.262 6.656 1.00 0.00 C ATOM 0 H LEU A 108 3.853 1.317 9.962 1.00 0.00 H new ATOM 0 HA LEU A 108 3.422 -0.748 8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.029 2.180 7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.065 1.233 6.521 1.00 0.00 H new ATOM 0 HG LEU A 108 1.676 1.536 8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.752 2.839 6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.239 3.577 7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.285 2.666 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.466 0.391 6.552 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.994 0.170 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.746 -0.640 7.233 1.00 0.00 H new ATOM 1643 N ILE A 109 6.439 0.380 8.428 1.00 0.00 N ATOM 1644 CA ILE A 109 7.827 0.030 8.202 1.00 0.00 C ATOM 1645 C ILE A 109 8.032 -1.440 8.628 1.00 0.00 C ATOM 1646 O ILE A 109 8.399 -2.305 7.827 1.00 0.00 O ATOM 1647 CB ILE A 109 8.685 0.963 9.054 1.00 0.00 C ATOM 1648 CG1 ILE A 109 8.498 2.404 8.578 1.00 0.00 C ATOM 1649 CG2 ILE A 109 10.162 0.563 9.028 1.00 0.00 C ATOM 1650 CD1 ILE A 109 8.959 3.434 9.567 1.00 0.00 C ATOM 0 H ILE A 109 6.303 1.186 9.038 1.00 0.00 H new ATOM 0 HA ILE A 109 8.106 0.135 7.154 1.00 0.00 H new ATOM 0 HB ILE A 109 8.356 0.881 10.090 1.00 0.00 H new ATOM 0 HG12 ILE A 109 9.043 2.542 7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.443 2.570 8.359 1.00 0.00 H new ATOM 0 HG21 ILE A 109 10.737 1.252 9.647 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.272 -0.450 9.416 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.531 0.601 8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.794 4.431 9.158 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.397 3.325 10.495 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.021 3.296 9.768 1.00 0.00 H new ATOM 1662 N LYS A 110 7.585 -1.727 9.844 1.00 0.00 N ATOM 1663 CA LYS A 110 7.699 -3.035 10.450 1.00 0.00 C ATOM 1664 C LYS A 110 6.843 -4.036 9.686 1.00 0.00 C ATOM 1665 O LYS A 110 7.104 -5.223 9.688 1.00 0.00 O ATOM 1666 CB LYS A 110 7.322 -2.909 11.958 1.00 0.00 C ATOM 1667 CG LYS A 110 7.202 -4.206 12.786 1.00 0.00 C ATOM 1668 CD LYS A 110 5.881 -4.954 12.550 1.00 0.00 C ATOM 1669 CE LYS A 110 4.677 -4.083 12.900 1.00 0.00 C ATOM 1670 NZ LYS A 110 3.379 -4.785 12.796 1.00 0.00 N1+ ATOM 0 H LYS A 110 7.126 -1.040 10.442 1.00 0.00 H new ATOM 0 HA LYS A 110 8.720 -3.414 10.397 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.068 -2.275 12.437 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.369 -2.383 12.021 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.034 -4.865 12.540 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.290 -3.963 13.845 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.817 -5.263 11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.863 -5.862 13.153 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.796 -3.708 13.916 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.664 -3.216 12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.606 -4.090 12.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.344 -5.320 11.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.273 -5.440 13.597 1.00 0.00 H new ATOM 1684 N PHE A 111 5.881 -3.531 8.976 1.00 0.00 N ATOM 1685 CA PHE A 111 4.970 -4.325 8.243 1.00 0.00 C ATOM 1686 C PHE A 111 5.723 -4.919 7.114 1.00 0.00 C ATOM 1687 O PHE A 111 5.951 -6.084 7.086 1.00 0.00 O ATOM 1688 CB PHE A 111 3.911 -3.434 7.720 1.00 0.00 C ATOM 1689 CG PHE A 111 2.658 -4.036 7.153 1.00 0.00 C ATOM 1690 CD1 PHE A 111 2.673 -5.221 6.465 1.00 0.00 C ATOM 1691 CD2 PHE A 111 1.464 -3.370 7.286 1.00 0.00 C ATOM 1692 CE1 PHE A 111 1.534 -5.735 5.927 1.00 0.00 C ATOM 1693 CE2 PHE A 111 0.315 -3.871 6.737 1.00 0.00 C ATOM 1694 CZ PHE A 111 0.349 -5.062 6.054 1.00 0.00 C ATOM 0 H PHE A 111 5.712 -2.528 8.895 1.00 0.00 H new ATOM 0 HA PHE A 111 4.522 -5.108 8.855 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.616 -2.766 8.529 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.358 -2.815 6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.604 -5.756 6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.432 -2.438 7.831 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.565 -6.676 5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.615 -3.332 6.840 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.554 -5.465 5.620 1.00 0.00 H new ATOM 1704 N ILE A 112 6.241 -4.081 6.271 1.00 0.00 N ATOM 1705 CA ILE A 112 6.970 -4.516 5.083 1.00 0.00 C ATOM 1706 C ILE A 112 8.294 -5.148 5.535 1.00 0.00 C ATOM 1707 O ILE A 112 8.996 -5.802 4.788 1.00 0.00 O ATOM 1708 CB ILE A 112 7.303 -3.308 4.203 1.00 0.00 C ATOM 1709 CG1 ILE A 112 6.110 -2.390 4.112 1.00 0.00 C ATOM 1710 CG2 ILE A 112 7.636 -3.785 2.808 1.00 0.00 C ATOM 1711 CD1 ILE A 112 6.483 -0.943 4.194 1.00 0.00 C ATOM 0 H ILE A 112 6.179 -3.068 6.373 1.00 0.00 H new ATOM 0 HA ILE A 112 6.360 -5.225 4.523 1.00 0.00 H new ATOM 0 HB ILE A 112 8.148 -2.777 4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.588 -2.573 3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.413 -2.627 4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.874 -2.928 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.494 -4.456 2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.780 -4.316 2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.584 -0.331 4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.980 -0.749 5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.157 -0.694 3.374 1.00 0.00 H new ATOM 1723 N ALA A 113 8.573 -4.992 6.772 1.00 0.00 N ATOM 1724 CA ALA A 113 9.831 -5.487 7.324 1.00 0.00 C ATOM 1725 C ALA A 113 9.698 -6.895 7.852 1.00 0.00 C ATOM 1726 O ALA A 113 10.669 -7.635 7.923 1.00 0.00 O ATOM 1727 CB ALA A 113 10.372 -4.571 8.381 1.00 0.00 C ATOM 0 H ALA A 113 7.964 -4.528 7.446 1.00 0.00 H new ATOM 0 HA ALA A 113 10.546 -5.508 6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.308 -4.974 8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.551 -3.585 7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.651 -4.487 9.194 1.00 0.00 H new ATOM 1733 N GLU A 114 8.499 -7.265 8.202 1.00 0.00 N ATOM 1734 CA GLU A 114 8.233 -8.597 8.705 1.00 0.00 C ATOM 1735 C GLU A 114 7.569 -9.387 7.635 1.00 0.00 C ATOM 1736 O GLU A 114 7.827 -10.574 7.411 1.00 0.00 O ATOM 1737 CB GLU A 114 7.264 -8.578 9.878 1.00 0.00 C ATOM 1738 CG GLU A 114 7.760 -7.945 11.127 1.00 0.00 C ATOM 1739 CD GLU A 114 6.968 -8.453 12.317 1.00 0.00 C ATOM 1740 OE1 GLU A 114 5.842 -7.967 12.563 1.00 0.00 O1- ATOM 1741 OE2 GLU A 114 7.416 -9.391 12.985 1.00 0.00 O ATOM 0 H GLU A 114 7.678 -6.662 8.150 1.00 0.00 H new ATOM 0 HA GLU A 114 9.187 -9.022 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.358 -8.058 9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.979 -9.606 10.104 1.00 0.00 H new ATOM 0 HG2 GLU A 114 8.818 -8.168 11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.670 -6.861 11.056 1.00 0.00 H new ATOM 1748 N ASN A 115 6.717 -8.694 6.982 1.00 0.00 N ATOM 1749 CA ASN A 115 5.817 -9.216 6.043 1.00 0.00 C ATOM 1750 C ASN A 115 6.366 -9.085 4.671 1.00 0.00 C ATOM 1751 O ASN A 115 6.014 -9.852 3.775 1.00 0.00 O ATOM 1752 CB ASN A 115 4.570 -8.394 6.171 1.00 0.00 C ATOM 1753 CG ASN A 115 3.871 -8.535 7.511 1.00 0.00 C ATOM 1754 OD1 ASN A 115 3.103 -9.442 7.745 1.00 0.00 O ATOM 1755 ND2 ASN A 115 4.136 -7.607 8.395 1.00 0.00 N ATOM 0 H ASN A 115 6.628 -7.685 7.100 1.00 0.00 H new ATOM 0 HA ASN A 115 5.628 -10.275 6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 115 4.821 -7.345 6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.877 -8.679 5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.691 -7.634 9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 115 4.788 -6.856 8.167 1.00 0.00 H new ATOM 1762 N GLY A 116 7.223 -8.113 4.494 1.00 0.00 N ATOM 1763 CA GLY A 116 7.790 -7.902 3.228 1.00 0.00 C ATOM 1764 C GLY A 116 8.916 -8.854 2.982 1.00 0.00 C ATOM 1765 O GLY A 116 9.511 -9.352 3.932 1.00 0.00 O ATOM 0 H GLY A 116 7.530 -7.467 5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.028 -8.027 2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.153 -6.877 3.154 1.00 0.00 H new ATOM 1769 N LYS A 117 9.249 -9.100 1.741 1.00 0.00 N ATOM 1770 CA LYS A 117 10.327 -10.016 1.450 1.00 0.00 C ATOM 1771 C LYS A 117 11.581 -9.256 1.430 1.00 0.00 C ATOM 1772 O LYS A 117 12.652 -9.776 1.718 1.00 0.00 O ATOM 1773 CB LYS A 117 10.146 -10.709 0.124 1.00 0.00 C ATOM 1774 CG LYS A 117 8.947 -11.637 0.073 1.00 0.00 C ATOM 1775 CD LYS A 117 9.026 -12.814 1.061 1.00 0.00 C ATOM 1776 CE LYS A 117 10.050 -13.914 0.690 1.00 0.00 C ATOM 1777 NZ LYS A 117 11.467 -13.489 0.735 1.00 0.00 N1+ ATOM 0 H LYS A 117 8.798 -8.687 0.925 1.00 0.00 H new ATOM 0 HA LYS A 117 10.340 -10.787 2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.043 -9.956 -0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.046 -11.281 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.045 -11.061 0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.848 -12.031 -0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.276 -12.424 2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.039 -13.270 1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 117 9.917 -14.757 1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.826 -14.274 -0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.050 -14.264 1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 11.788 -13.247 -0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 11.560 -12.656 1.351 1.00 0.00 H new ATOM 1791 N TYR A 118 11.447 -8.017 1.114 1.00 0.00 N ATOM 1792 CA TYR A 118 12.529 -7.145 1.066 1.00 0.00 C ATOM 1793 C TYR A 118 12.907 -6.665 2.448 1.00 0.00 C ATOM 1794 O TYR A 118 13.968 -6.029 2.617 1.00 0.00 O ATOM 1795 CB TYR A 118 12.225 -6.008 0.133 1.00 0.00 C ATOM 1796 CG TYR A 118 12.520 -6.317 -1.308 1.00 0.00 C ATOM 1797 CD1 TYR A 118 11.567 -6.888 -2.131 1.00 0.00 C ATOM 1798 CD2 TYR A 118 13.770 -6.048 -1.840 1.00 0.00 C ATOM 1799 CE1 TYR A 118 11.856 -7.184 -3.447 1.00 0.00 C ATOM 1800 CE2 TYR A 118 14.062 -6.335 -3.151 1.00 0.00 C ATOM 1801 CZ TYR A 118 13.103 -6.906 -3.952 1.00 0.00 C ATOM 1802 OH TYR A 118 13.394 -7.205 -5.272 1.00 0.00 O ATOM 0 H TYR A 118 10.553 -7.587 0.879 1.00 0.00 H new ATOM 0 HA TYR A 118 13.397 -7.677 0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 118 11.173 -5.740 0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 118 12.805 -5.136 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 118 10.584 -7.105 -1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 118 14.529 -5.604 -1.213 1.00 0.00 H new ATOM 0 HE1 TYR A 118 11.104 -7.633 -4.079 1.00 0.00 H new ATOM 0 HE2 TYR A 118 15.041 -6.113 -3.550 1.00 0.00 H new ATOM 0 HH TYR A 118 12.625 -6.979 -5.836 1.00 0.00 H new ATOM 1812 N LYS A 119 12.019 -6.953 3.441 1.00 0.00 N ATOM 1813 CA LYS A 119 12.254 -6.664 4.846 1.00 0.00 C ATOM 1814 C LYS A 119 12.569 -5.183 5.012 1.00 0.00 C ATOM 1815 O LYS A 119 13.485 -4.804 5.742 1.00 0.00 O ATOM 1816 CB LYS A 119 13.414 -7.542 5.348 1.00 0.00 C ATOM 1817 CG LYS A 119 13.225 -9.039 5.089 1.00 0.00 C ATOM 1818 CD LYS A 119 12.071 -9.611 5.892 1.00 0.00 C ATOM 1819 CE LYS A 119 11.688 -11.018 5.429 1.00 0.00 C ATOM 1820 NZ LYS A 119 12.809 -11.981 5.493 1.00 0.00 N1+ ATOM 0 H LYS A 119 11.118 -7.396 3.265 1.00 0.00 H new ATOM 0 HA LYS A 119 11.366 -6.890 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 119 14.336 -7.215 4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 119 13.538 -7.383 6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 119 13.045 -9.204 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.142 -9.570 5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.343 -9.639 6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.207 -8.953 5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.867 -11.385 6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.319 -10.968 4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.472 -12.925 5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.564 -11.678 4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.180 -12.018 6.464 1.00 0.00 H new ATOM 1834 N ALA A 120 11.755 -4.367 4.349 1.00 0.00 N ATOM 1835 CA ALA A 120 11.969 -2.931 4.221 1.00 0.00 C ATOM 1836 C ALA A 120 11.842 -2.155 5.520 1.00 0.00 C ATOM 1837 O ALA A 120 10.777 -1.631 5.855 1.00 0.00 O ATOM 1838 CB ALA A 120 11.061 -2.348 3.167 1.00 0.00 C ATOM 0 H ALA A 120 10.912 -4.693 3.877 1.00 0.00 H new ATOM 0 HA ALA A 120 13.010 -2.821 3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.237 -1.275 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.267 -2.821 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.022 -2.526 3.443 1.00 0.00 H new ATOM 1844 N ALA A 121 12.923 -2.095 6.231 1.00 0.00 N ATOM 1845 CA ALA A 121 13.010 -1.364 7.444 1.00 0.00 C ATOM 1846 C ALA A 121 14.159 -0.383 7.304 1.00 0.00 C ATOM 1847 O ALA A 121 15.321 -0.770 7.542 1.00 0.00 O ATOM 1848 CB ALA A 121 13.213 -2.323 8.615 1.00 0.00 C ATOM 1849 OXT ALA A 121 13.925 0.756 6.849 1.00 0.00 O ATOM 0 H ALA A 121 13.789 -2.567 5.973 1.00 0.00 H new ATOM 0 HA ALA A 121 12.091 -0.813 7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 121 13.279 -1.755 9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.371 -3.013 8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 121 14.134 -2.887 8.468 1.00 0.00 H new TER 1855 ALA A 121