USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 GLN : amide:sc= 0.621 K(o=-0.65,f=-3.1) USER MOD Set 1.2: A 44 HIS : no HE2:sc= -1.27 K(o=-0.65,f=-7.7!) USER MOD Set 2.1: A 32 SER OG : rot 127:sc= 1.22 USER MOD Set 2.2: A 34 SER OG : rot 180:sc= 1.02 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0725 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.411 K(o=0.41,f=-0.17) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 178:sc= -0.847 (180deg=-0.849) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 159:sc= -0.0701 (180deg=-0.407) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -36:sc= 0.00224 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -170:sc= 0 USER MOD Single : A 49 TYR OH : rot -77:sc= 1.23 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 101:sc= 0.166 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.513 K(o=0.51,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= -0.0301 (180deg=-0.187) USER MOD Single : A 64 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0081) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 170:sc=-0.00269 (180deg=-0.165) USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= 1.06 (180deg=0.595) USER MOD Single : A 69 MET CE :methyl 171:sc= 0 (180deg=-0.0928) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.838 -21.677 -16.305 1.00 0.00 N ATOM 2 CA GLY A 1 3.690 -22.515 -16.639 1.00 0.00 C ATOM 3 C GLY A 1 2.809 -22.713 -15.426 1.00 0.00 C ATOM 4 O GLY A 1 2.777 -21.857 -14.542 1.00 0.00 O ATOM 0 H1 GLY A 1 4.935 -20.922 -17.014 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.697 -21.254 -15.366 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.701 -22.257 -16.297 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.116 -22.052 -17.442 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.033 -23.481 -17.009 1.00 0.00 H new ATOM 8 N SER A 2 2.119 -23.858 -15.379 1.00 0.00 N ATOM 9 CA SER A 2 1.153 -24.205 -14.344 1.00 0.00 C ATOM 10 C SER A 2 1.675 -23.948 -12.924 1.00 0.00 C ATOM 11 O SER A 2 1.008 -23.260 -12.148 1.00 0.00 O ATOM 12 CB SER A 2 0.727 -25.667 -14.510 1.00 0.00 C ATOM 13 OG SER A 2 0.032 -25.880 -15.728 1.00 0.00 O ATOM 0 H SER A 2 2.224 -24.587 -16.084 1.00 0.00 H new ATOM 0 HA SER A 2 0.290 -23.551 -14.471 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.608 -26.308 -14.478 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.091 -25.957 -13.674 1.00 0.00 H new ATOM 0 HG SER A 2 -0.222 -26.824 -15.799 1.00 0.00 H new ATOM 19 N SER A 3 2.849 -24.475 -12.569 1.00 0.00 N ATOM 20 CA SER A 3 3.416 -24.299 -11.240 1.00 0.00 C ATOM 21 C SER A 3 4.147 -22.955 -11.200 1.00 0.00 C ATOM 22 O SER A 3 5.371 -22.881 -11.324 1.00 0.00 O ATOM 23 CB SER A 3 4.300 -25.504 -10.892 1.00 0.00 C ATOM 24 OG SER A 3 4.493 -25.579 -9.493 1.00 0.00 O ATOM 0 H SER A 3 3.428 -25.033 -13.196 1.00 0.00 H new ATOM 0 HA SER A 3 2.643 -24.266 -10.472 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.835 -26.422 -11.252 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.263 -25.416 -11.395 1.00 0.00 H new ATOM 0 HG SER A 3 5.057 -26.352 -9.282 1.00 0.00 H new ATOM 30 N GLY A 4 3.408 -21.858 -11.065 1.00 0.00 N ATOM 31 CA GLY A 4 3.978 -20.522 -11.112 1.00 0.00 C ATOM 32 C GLY A 4 3.063 -19.536 -10.413 1.00 0.00 C ATOM 33 O GLY A 4 2.624 -19.773 -9.282 1.00 0.00 O ATOM 0 H GLY A 4 2.398 -21.873 -10.920 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.958 -20.520 -10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.127 -20.219 -12.148 1.00 0.00 H new ATOM 37 N SER A 5 2.799 -18.424 -11.092 1.00 0.00 N ATOM 38 CA SER A 5 1.925 -17.357 -10.630 1.00 0.00 C ATOM 39 C SER A 5 0.501 -17.891 -10.433 1.00 0.00 C ATOM 40 O SER A 5 -0.104 -17.644 -9.391 1.00 0.00 O ATOM 41 CB SER A 5 1.981 -16.208 -11.648 1.00 0.00 C ATOM 42 OG SER A 5 3.313 -16.042 -12.124 1.00 0.00 O ATOM 0 H SER A 5 3.203 -18.237 -12.010 1.00 0.00 H new ATOM 0 HA SER A 5 2.256 -16.978 -9.663 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.312 -16.418 -12.482 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.634 -15.284 -11.185 1.00 0.00 H new ATOM 0 HG SER A 5 3.339 -15.309 -12.774 1.00 0.00 H new ATOM 48 N SER A 6 0.016 -18.687 -11.391 1.00 0.00 N ATOM 49 CA SER A 6 -1.300 -19.302 -11.408 1.00 0.00 C ATOM 50 C SER A 6 -2.415 -18.262 -11.553 1.00 0.00 C ATOM 51 O SER A 6 -2.160 -17.059 -11.670 1.00 0.00 O ATOM 52 CB SER A 6 -1.459 -20.221 -10.184 1.00 0.00 C ATOM 53 OG SER A 6 -2.271 -21.333 -10.494 1.00 0.00 O ATOM 0 H SER A 6 0.566 -18.928 -12.216 1.00 0.00 H new ATOM 0 HA SER A 6 -1.393 -19.930 -12.294 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.479 -20.562 -9.850 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.900 -19.662 -9.359 1.00 0.00 H new ATOM 0 HG SER A 6 -2.358 -21.905 -9.703 1.00 0.00 H new ATOM 59 N GLY A 7 -3.661 -18.734 -11.586 1.00 0.00 N ATOM 60 CA GLY A 7 -4.817 -17.866 -11.443 1.00 0.00 C ATOM 61 C GLY A 7 -4.949 -17.496 -9.974 1.00 0.00 C ATOM 62 O GLY A 7 -4.714 -18.352 -9.117 1.00 0.00 O ATOM 0 H GLY A 7 -3.891 -19.720 -11.712 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.698 -16.970 -12.052 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.718 -18.371 -11.791 1.00 0.00 H new ATOM 66 N ARG A 8 -5.327 -16.250 -9.671 1.00 0.00 N ATOM 67 CA ARG A 8 -5.410 -15.798 -8.285 1.00 0.00 C ATOM 68 C ARG A 8 -6.451 -16.610 -7.529 1.00 0.00 C ATOM 69 O ARG A 8 -7.518 -16.922 -8.062 1.00 0.00 O ATOM 70 CB ARG A 8 -5.717 -14.291 -8.200 1.00 0.00 C ATOM 71 CG ARG A 8 -4.457 -13.426 -8.336 1.00 0.00 C ATOM 72 CD ARG A 8 -3.608 -13.465 -7.061 1.00 0.00 C ATOM 73 NE ARG A 8 -2.387 -12.662 -7.209 1.00 0.00 N ATOM 74 CZ ARG A 8 -1.935 -11.714 -6.380 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.673 -11.244 -5.381 1.00 0.00 N ATOM 76 NH2 ARG A 8 -0.716 -11.237 -6.560 1.00 0.00 N ATOM 0 H ARG A 8 -5.578 -15.544 -10.363 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.438 -15.957 -7.818 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.424 -14.023 -8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.201 -14.075 -7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.863 -13.776 -9.180 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.743 -12.397 -8.553 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.193 -13.091 -6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.342 -14.496 -6.830 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.820 -12.848 -8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.614 -11.606 -5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.299 -10.521 -4.767 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.137 -11.592 -7.321 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.354 -10.514 -5.938 1.00 0.00 H new ATOM 90 N GLY A 9 -6.149 -16.889 -6.272 1.00 0.00 N ATOM 91 CA GLY A 9 -6.950 -17.636 -5.331 1.00 0.00 C ATOM 92 C GLY A 9 -6.159 -17.704 -4.033 1.00 0.00 C ATOM 93 O GLY A 9 -5.075 -17.115 -3.938 1.00 0.00 O ATOM 0 H GLY A 9 -5.272 -16.574 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.912 -17.150 -5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.157 -18.637 -5.710 1.00 0.00 H new ATOM 97 N ARG A 10 -6.685 -18.422 -3.035 1.00 0.00 N ATOM 98 CA ARG A 10 -6.083 -18.519 -1.703 1.00 0.00 C ATOM 99 C ARG A 10 -5.999 -17.131 -1.054 1.00 0.00 C ATOM 100 O ARG A 10 -6.636 -16.192 -1.539 1.00 0.00 O ATOM 101 CB ARG A 10 -4.746 -19.273 -1.850 1.00 0.00 C ATOM 102 CG ARG A 10 -4.202 -19.977 -0.606 1.00 0.00 C ATOM 103 CD ARG A 10 -3.463 -21.246 -1.043 1.00 0.00 C ATOM 104 NE ARG A 10 -2.507 -21.713 -0.040 1.00 0.00 N ATOM 105 CZ ARG A 10 -2.741 -22.305 1.131 1.00 0.00 C ATOM 106 NH1 ARG A 10 -3.974 -22.535 1.573 1.00 0.00 N ATOM 107 NH2 ARG A 10 -1.690 -22.643 1.868 1.00 0.00 N ATOM 0 H ARG A 10 -7.548 -18.957 -3.131 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.694 -19.095 -1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.863 -20.019 -2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.993 -18.563 -2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.528 -19.316 -0.062 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.017 -20.229 0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.189 -22.034 -1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.938 -21.052 -1.978 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.524 -21.565 -0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.778 -22.256 1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.116 -22.991 2.475 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.747 -22.448 1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.825 -23.098 2.771 1.00 0.00 H new ATOM 121 N TYR A 11 -5.281 -17.040 0.074 1.00 0.00 N ATOM 122 CA TYR A 11 -5.269 -15.951 1.051 1.00 0.00 C ATOM 123 C TYR A 11 -5.604 -14.592 0.464 1.00 0.00 C ATOM 124 O TYR A 11 -4.736 -13.911 -0.095 1.00 0.00 O ATOM 125 CB TYR A 11 -3.946 -15.921 1.817 1.00 0.00 C ATOM 126 CG TYR A 11 -3.816 -17.120 2.718 1.00 0.00 C ATOM 127 CD1 TYR A 11 -4.641 -17.220 3.854 1.00 0.00 C ATOM 128 CD2 TYR A 11 -2.948 -18.169 2.372 1.00 0.00 C ATOM 129 CE1 TYR A 11 -4.598 -18.370 4.654 1.00 0.00 C ATOM 130 CE2 TYR A 11 -2.895 -19.317 3.174 1.00 0.00 C ATOM 131 CZ TYR A 11 -3.717 -19.416 4.316 1.00 0.00 C ATOM 132 OH TYR A 11 -3.653 -20.521 5.096 1.00 0.00 O ATOM 0 H TYR A 11 -4.643 -17.788 0.345 1.00 0.00 H new ATOM 0 HA TYR A 11 -6.075 -16.167 1.752 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.114 -15.899 1.113 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.886 -15.008 2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.308 -16.410 4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.325 -18.091 1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -5.235 -18.454 5.522 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.226 -20.125 2.918 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.997 -21.147 4.723 1.00 0.00 H new ATOM 142 N ARG A 12 -6.883 -14.231 0.585 1.00 0.00 N ATOM 143 CA ARG A 12 -7.418 -13.042 -0.038 1.00 0.00 C ATOM 144 C ARG A 12 -6.760 -11.830 0.597 1.00 0.00 C ATOM 145 O ARG A 12 -6.718 -11.700 1.827 1.00 0.00 O ATOM 146 CB ARG A 12 -8.950 -13.032 0.042 1.00 0.00 C ATOM 147 CG ARG A 12 -9.536 -12.096 -1.034 1.00 0.00 C ATOM 148 CD ARG A 12 -10.908 -12.558 -1.548 1.00 0.00 C ATOM 149 NE ARG A 12 -10.873 -13.901 -2.156 1.00 0.00 N ATOM 150 CZ ARG A 12 -10.219 -14.301 -3.252 1.00 0.00 C ATOM 151 NH1 ARG A 12 -9.659 -13.420 -4.079 1.00 0.00 N ATOM 152 NH2 ARG A 12 -10.133 -15.603 -3.505 1.00 0.00 N ATOM 0 H ARG A 12 -7.569 -14.763 1.121 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.188 -13.021 -1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.335 -14.042 -0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.267 -12.703 1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.628 -11.091 -0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.842 -12.035 -1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.618 -12.558 -0.721 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.274 -11.842 -2.283 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.419 -14.618 -1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.725 -12.422 -3.881 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.164 -13.744 -4.910 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.561 -16.276 -2.869 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.639 -15.930 -4.335 1.00 0.00 H new ATOM 166 N GLN A 13 -6.194 -10.986 -0.250 1.00 0.00 N ATOM 167 CA GLN A 13 -5.549 -9.737 0.089 1.00 0.00 C ATOM 168 C GLN A 13 -5.957 -8.721 -0.967 1.00 0.00 C ATOM 169 O GLN A 13 -6.627 -9.040 -1.955 1.00 0.00 O ATOM 170 CB GLN A 13 -4.013 -9.918 0.123 1.00 0.00 C ATOM 171 CG GLN A 13 -3.479 -10.672 1.348 1.00 0.00 C ATOM 172 CD GLN A 13 -3.701 -9.880 2.633 1.00 0.00 C ATOM 173 OE1 GLN A 13 -2.864 -9.074 3.041 1.00 0.00 O ATOM 174 NE2 GLN A 13 -4.844 -10.071 3.266 1.00 0.00 N ATOM 0 H GLN A 13 -6.174 -11.170 -1.253 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.853 -9.396 1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.704 -10.451 -0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.545 -8.934 0.087 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.975 -11.640 1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.415 -10.869 1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.520 -10.745 2.906 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.051 -9.545 4.115 1.00 0.00 H new ATOM 183 N TYR A 14 -5.516 -7.489 -0.769 1.00 0.00 N ATOM 184 CA TYR A 14 -5.446 -6.500 -1.819 1.00 0.00 C ATOM 185 C TYR A 14 -4.540 -7.023 -2.949 1.00 0.00 C ATOM 186 O TYR A 14 -3.604 -7.798 -2.708 1.00 0.00 O ATOM 187 CB TYR A 14 -4.924 -5.211 -1.179 1.00 0.00 C ATOM 188 CG TYR A 14 -3.484 -5.280 -0.684 1.00 0.00 C ATOM 189 CD1 TYR A 14 -3.160 -5.770 0.598 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.448 -4.872 -1.536 1.00 0.00 C ATOM 191 CE1 TYR A 14 -1.812 -5.911 0.984 1.00 0.00 C ATOM 192 CE2 TYR A 14 -1.107 -5.020 -1.172 1.00 0.00 C ATOM 193 CZ TYR A 14 -0.777 -5.550 0.088 1.00 0.00 C ATOM 194 OH TYR A 14 0.537 -5.690 0.417 1.00 0.00 O ATOM 0 H TYR A 14 -5.194 -7.149 0.137 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.417 -6.299 -2.272 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.005 -4.403 -1.906 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.570 -4.951 -0.340 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.948 -6.038 1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.691 -4.434 -2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.568 -6.295 1.964 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.325 -4.728 -1.857 1.00 0.00 H new ATOM 0 HH TYR A 14 1.095 -5.389 -0.330 1.00 0.00 H new ATOM 204 N ASN A 15 -4.813 -6.603 -4.186 1.00 0.00 N ATOM 205 CA ASN A 15 -3.872 -6.742 -5.300 1.00 0.00 C ATOM 206 C ASN A 15 -2.919 -5.560 -5.249 1.00 0.00 C ATOM 207 O ASN A 15 -3.287 -4.514 -4.722 1.00 0.00 O ATOM 208 CB ASN A 15 -4.605 -6.742 -6.648 1.00 0.00 C ATOM 209 CG ASN A 15 -5.371 -8.037 -6.843 1.00 0.00 C ATOM 210 OD1 ASN A 15 -4.804 -9.119 -6.750 1.00 0.00 O ATOM 211 ND2 ASN A 15 -6.662 -7.966 -7.097 1.00 0.00 N ATOM 0 H ASN A 15 -5.693 -6.157 -4.444 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.338 -7.688 -5.208 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.292 -5.897 -6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.887 -6.613 -7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.205 -8.820 -7.220 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.118 -7.057 -7.171 1.00 0.00 H new ATOM 218 N SER A 16 -1.735 -5.664 -5.845 1.00 0.00 N ATOM 219 CA SER A 16 -0.734 -4.602 -5.767 1.00 0.00 C ATOM 220 C SER A 16 -1.214 -3.246 -6.305 1.00 0.00 C ATOM 221 O SER A 16 -0.676 -2.217 -5.903 1.00 0.00 O ATOM 222 CB SER A 16 0.543 -5.068 -6.460 1.00 0.00 C ATOM 223 OG SER A 16 0.983 -6.290 -5.907 1.00 0.00 O ATOM 0 H SER A 16 -1.443 -6.476 -6.390 1.00 0.00 H new ATOM 0 HA SER A 16 -0.536 -4.418 -4.711 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.362 -5.189 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.320 -4.311 -6.352 1.00 0.00 H new ATOM 0 HG SER A 16 1.802 -6.579 -6.361 1.00 0.00 H new ATOM 229 N GLU A 17 -2.254 -3.240 -7.135 1.00 0.00 N ATOM 230 CA GLU A 17 -2.897 -2.049 -7.662 1.00 0.00 C ATOM 231 C GLU A 17 -3.657 -1.337 -6.548 1.00 0.00 C ATOM 232 O GLU A 17 -3.396 -0.166 -6.295 1.00 0.00 O ATOM 233 CB GLU A 17 -3.821 -2.437 -8.828 1.00 0.00 C ATOM 234 CG GLU A 17 -3.108 -3.276 -9.900 1.00 0.00 C ATOM 235 CD GLU A 17 -2.066 -2.529 -10.752 1.00 0.00 C ATOM 236 OE1 GLU A 17 -1.260 -1.720 -10.238 1.00 0.00 O ATOM 237 OE2 GLU A 17 -1.969 -2.840 -11.957 1.00 0.00 O ATOM 0 H GLU A 17 -2.686 -4.101 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.147 -1.357 -8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.671 -2.998 -8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.219 -1.532 -9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.614 -4.115 -9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.861 -3.695 -10.567 1.00 0.00 H new ATOM 244 N ILE A 18 -4.531 -2.065 -5.841 1.00 0.00 N ATOM 245 CA ILE A 18 -5.356 -1.604 -4.718 1.00 0.00 C ATOM 246 C ILE A 18 -4.494 -0.897 -3.679 1.00 0.00 C ATOM 247 O ILE A 18 -4.946 0.040 -3.027 1.00 0.00 O ATOM 248 CB ILE A 18 -6.054 -2.826 -4.072 1.00 0.00 C ATOM 249 CG1 ILE A 18 -7.056 -3.519 -5.006 1.00 0.00 C ATOM 250 CG2 ILE A 18 -6.711 -2.546 -2.709 1.00 0.00 C ATOM 251 CD1 ILE A 18 -8.379 -2.765 -5.087 1.00 0.00 C ATOM 0 H ILE A 18 -4.690 -3.050 -6.051 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.102 -0.900 -5.086 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.226 -3.510 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.624 -3.601 -6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.238 -4.534 -4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.174 -3.459 -2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.953 -2.207 -2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.472 -1.774 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.057 -3.291 -5.759 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.825 -2.705 -4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.202 -1.759 -5.466 1.00 0.00 H new ATOM 263 N LEU A 19 -3.267 -1.373 -3.490 1.00 0.00 N ATOM 264 CA LEU A 19 -2.349 -0.778 -2.543 1.00 0.00 C ATOM 265 C LEU A 19 -2.046 0.667 -2.910 1.00 0.00 C ATOM 266 O LEU A 19 -2.116 1.529 -2.043 1.00 0.00 O ATOM 267 CB LEU A 19 -1.083 -1.626 -2.481 1.00 0.00 C ATOM 268 CG LEU A 19 0.001 -1.049 -1.570 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.492 -0.868 -0.129 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.176 -2.027 -1.602 1.00 0.00 C ATOM 0 H LEU A 19 -2.889 -2.178 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.806 -0.758 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.343 -2.626 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.679 -1.734 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 19 0.289 -0.060 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.312 -0.456 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.342 -0.186 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.796 -1.833 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.977 -1.655 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.848 -3.002 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.542 -2.123 -2.624 1.00 0.00 H new ATOM 282 N GLU A 20 -1.694 0.937 -4.164 1.00 0.00 N ATOM 283 CA GLU A 20 -1.393 2.261 -4.640 1.00 0.00 C ATOM 284 C GLU A 20 -2.632 3.146 -4.577 1.00 0.00 C ATOM 285 O GLU A 20 -2.512 4.314 -4.230 1.00 0.00 O ATOM 286 CB GLU A 20 -0.846 2.079 -6.050 1.00 0.00 C ATOM 287 CG GLU A 20 -1.177 3.183 -7.042 1.00 0.00 C ATOM 288 CD GLU A 20 -0.529 4.526 -6.722 1.00 0.00 C ATOM 289 OE1 GLU A 20 0.522 4.551 -6.047 1.00 0.00 O ATOM 290 OE2 GLU A 20 -1.023 5.590 -7.163 1.00 0.00 O ATOM 0 H GLU A 20 -1.612 0.219 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.654 2.772 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.238 1.986 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.224 1.137 -6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.862 2.868 -8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.259 3.313 -7.076 1.00 0.00 H new ATOM 297 N GLU A 21 -3.817 2.606 -4.857 1.00 0.00 N ATOM 298 CA GLU A 21 -5.068 3.323 -4.714 1.00 0.00 C ATOM 299 C GLU A 21 -5.204 3.833 -3.285 1.00 0.00 C ATOM 300 O GLU A 21 -5.325 5.035 -3.056 1.00 0.00 O ATOM 301 CB GLU A 21 -6.218 2.395 -5.041 1.00 0.00 C ATOM 302 CG GLU A 21 -6.224 1.708 -6.399 1.00 0.00 C ATOM 303 CD GLU A 21 -6.416 2.687 -7.547 1.00 0.00 C ATOM 304 OE1 GLU A 21 -7.544 3.193 -7.716 1.00 0.00 O ATOM 305 OE2 GLU A 21 -5.426 2.994 -8.255 1.00 0.00 O ATOM 0 H GLU A 21 -3.929 1.649 -5.192 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.084 4.172 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.248 1.620 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.142 2.966 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.284 1.173 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.021 0.965 -6.423 1.00 0.00 H new ATOM 312 N ALA A 22 -5.114 2.899 -2.338 1.00 0.00 N ATOM 313 CA ALA A 22 -5.204 3.123 -0.899 1.00 0.00 C ATOM 314 C ALA A 22 -4.089 4.014 -0.363 1.00 0.00 C ATOM 315 O ALA A 22 -4.187 4.505 0.763 1.00 0.00 O ATOM 316 CB ALA A 22 -5.134 1.774 -0.199 1.00 0.00 C ATOM 0 H ALA A 22 -4.969 1.916 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.146 3.635 -0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.200 1.920 0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.962 1.148 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.190 1.286 -0.442 1.00 0.00 H new ATOM 322 N ILE A 23 -3.040 4.226 -1.146 1.00 0.00 N ATOM 323 CA ILE A 23 -1.985 5.174 -0.825 1.00 0.00 C ATOM 324 C ILE A 23 -2.410 6.536 -1.364 1.00 0.00 C ATOM 325 O ILE A 23 -2.454 7.496 -0.595 1.00 0.00 O ATOM 326 CB ILE A 23 -0.658 4.622 -1.371 1.00 0.00 C ATOM 327 CG1 ILE A 23 -0.193 3.503 -0.419 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.453 5.670 -1.530 1.00 0.00 C ATOM 329 CD1 ILE A 23 0.750 2.534 -1.117 1.00 0.00 C ATOM 0 H ILE A 23 -2.897 3.739 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.823 5.310 0.244 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.846 4.256 -2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.308 3.942 0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.060 2.961 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.351 5.192 -1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.125 6.446 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.672 6.118 -0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.058 1.758 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.239 2.076 -1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.629 3.073 -1.471 1.00 0.00 H new ATOM 341 N SER A 24 -2.790 6.606 -2.638 1.00 0.00 N ATOM 342 CA SER A 24 -3.243 7.800 -3.329 1.00 0.00 C ATOM 343 C SER A 24 -4.328 8.524 -2.524 1.00 0.00 C ATOM 344 O SER A 24 -4.190 9.726 -2.299 1.00 0.00 O ATOM 345 CB SER A 24 -3.702 7.407 -4.742 1.00 0.00 C ATOM 346 OG SER A 24 -3.740 8.532 -5.595 1.00 0.00 O ATOM 0 H SER A 24 -2.788 5.785 -3.243 1.00 0.00 H new ATOM 0 HA SER A 24 -2.425 8.514 -3.425 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.025 6.658 -5.153 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.690 6.950 -4.693 1.00 0.00 H new ATOM 0 HG SER A 24 -4.033 8.255 -6.488 1.00 0.00 H new ATOM 352 N VAL A 25 -5.348 7.819 -2.008 1.00 0.00 N ATOM 353 CA VAL A 25 -6.368 8.408 -1.140 1.00 0.00 C ATOM 354 C VAL A 25 -5.730 9.178 0.018 1.00 0.00 C ATOM 355 O VAL A 25 -5.957 10.373 0.164 1.00 0.00 O ATOM 356 CB VAL A 25 -7.391 7.353 -0.647 1.00 0.00 C ATOM 357 CG1 VAL A 25 -8.612 7.337 -1.550 1.00 0.00 C ATOM 358 CG2 VAL A 25 -6.868 5.948 -0.474 1.00 0.00 C ATOM 0 H VAL A 25 -5.484 6.824 -2.184 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.930 9.126 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.647 7.682 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.321 6.591 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.084 8.320 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.309 7.089 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.673 5.300 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.493 5.579 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.060 5.948 0.258 1.00 0.00 H new ATOM 368 N VAL A 26 -4.946 8.507 0.850 1.00 0.00 N ATOM 369 CA VAL A 26 -4.269 9.041 2.025 1.00 0.00 C ATOM 370 C VAL A 26 -3.362 10.212 1.632 1.00 0.00 C ATOM 371 O VAL A 26 -3.388 11.245 2.300 1.00 0.00 O ATOM 372 CB VAL A 26 -3.507 7.906 2.751 1.00 0.00 C ATOM 373 CG1 VAL A 26 -2.813 8.389 4.034 1.00 0.00 C ATOM 374 CG2 VAL A 26 -4.450 6.757 3.151 1.00 0.00 C ATOM 0 H VAL A 26 -4.753 7.514 0.715 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.002 9.438 2.727 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.760 7.562 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.294 7.553 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.094 9.170 3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.558 8.786 4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.880 5.978 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.222 7.136 3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.917 6.342 2.258 1.00 0.00 H new ATOM 384 N MET A 27 -2.591 10.095 0.549 1.00 0.00 N ATOM 385 CA MET A 27 -1.719 11.159 0.065 1.00 0.00 C ATOM 386 C MET A 27 -2.540 12.396 -0.309 1.00 0.00 C ATOM 387 O MET A 27 -2.265 13.489 0.183 1.00 0.00 O ATOM 388 CB MET A 27 -0.901 10.665 -1.127 1.00 0.00 C ATOM 389 CG MET A 27 0.163 9.659 -0.699 1.00 0.00 C ATOM 390 SD MET A 27 1.103 9.064 -2.114 1.00 0.00 S ATOM 391 CE MET A 27 2.618 8.549 -1.285 1.00 0.00 C ATOM 0 H MET A 27 -2.556 9.249 -0.020 1.00 0.00 H new ATOM 0 HA MET A 27 -1.030 11.441 0.862 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.565 10.204 -1.859 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.424 11.513 -1.618 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.838 10.123 0.020 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.311 8.817 -0.194 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.304 8.119 -2.015 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.086 9.413 -0.812 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.382 7.804 -0.526 1.00 0.00 H new ATOM 401 N SER A 28 -3.579 12.239 -1.127 1.00 0.00 N ATOM 402 CA SER A 28 -4.535 13.296 -1.443 1.00 0.00 C ATOM 403 C SER A 28 -5.413 13.704 -0.242 1.00 0.00 C ATOM 404 O SER A 28 -6.260 14.595 -0.379 1.00 0.00 O ATOM 405 CB SER A 28 -5.381 12.851 -2.639 1.00 0.00 C ATOM 406 OG SER A 28 -4.759 13.205 -3.856 1.00 0.00 O ATOM 0 H SER A 28 -3.783 11.357 -1.597 1.00 0.00 H new ATOM 0 HA SER A 28 -3.975 14.195 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.530 11.772 -2.603 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.368 13.311 -2.583 1.00 0.00 H new ATOM 0 HG SER A 28 -5.316 12.910 -4.606 1.00 0.00 H new ATOM 412 N GLY A 29 -5.234 13.100 0.935 1.00 0.00 N ATOM 413 CA GLY A 29 -5.905 13.478 2.165 1.00 0.00 C ATOM 414 C GLY A 29 -7.316 12.910 2.295 1.00 0.00 C ATOM 415 O GLY A 29 -8.016 13.288 3.237 1.00 0.00 O ATOM 0 H GLY A 29 -4.598 12.312 1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.308 13.141 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.954 14.565 2.222 1.00 0.00 H new ATOM 419 N LYS A 30 -7.761 12.000 1.411 1.00 0.00 N ATOM 420 CA LYS A 30 -9.136 11.501 1.426 1.00 0.00 C ATOM 421 C LYS A 30 -9.434 10.790 2.736 1.00 0.00 C ATOM 422 O LYS A 30 -10.593 10.746 3.154 1.00 0.00 O ATOM 423 CB LYS A 30 -9.382 10.537 0.258 1.00 0.00 C ATOM 424 CG LYS A 30 -9.662 11.213 -1.090 1.00 0.00 C ATOM 425 CD LYS A 30 -8.496 11.967 -1.731 1.00 0.00 C ATOM 426 CE LYS A 30 -8.817 12.310 -3.196 1.00 0.00 C ATOM 427 NZ LYS A 30 -9.717 13.476 -3.317 1.00 0.00 N ATOM 0 H LYS A 30 -7.180 11.597 0.676 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.800 12.360 1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.511 9.891 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.226 9.895 0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.001 10.450 -1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.488 11.912 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.296 12.881 -1.173 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.592 11.360 -1.683 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.889 12.514 -3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.278 11.447 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.904 13.668 -4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.614 13.274 -2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.268 14.308 -2.884 1.00 0.00 H new ATOM 441 N MET A 31 -8.417 10.216 3.380 1.00 0.00 N ATOM 442 CA MET A 31 -8.567 9.570 4.665 1.00 0.00 C ATOM 443 C MET A 31 -7.229 9.401 5.372 1.00 0.00 C ATOM 444 O MET A 31 -6.183 9.716 4.802 1.00 0.00 O ATOM 445 CB MET A 31 -9.267 8.230 4.468 1.00 0.00 C ATOM 446 CG MET A 31 -8.560 7.231 3.570 1.00 0.00 C ATOM 447 SD MET A 31 -9.660 5.960 2.902 1.00 0.00 S ATOM 448 CE MET A 31 -10.656 6.904 1.761 1.00 0.00 C ATOM 0 H MET A 31 -7.465 10.191 3.015 1.00 0.00 H new ATOM 0 HA MET A 31 -9.177 10.203 5.310 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.409 7.771 5.446 1.00 0.00 H new ATOM 0 HB3 MET A 31 -10.259 8.419 4.057 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.091 7.765 2.744 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.761 6.750 4.133 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.101 6.234 1.026 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.446 7.419 2.308 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.030 7.637 1.252 1.00 0.00 H new ATOM 458 N SER A 32 -7.260 8.892 6.604 1.00 0.00 N ATOM 459 CA SER A 32 -6.069 8.467 7.324 1.00 0.00 C ATOM 460 C SER A 32 -5.621 7.094 6.816 1.00 0.00 C ATOM 461 O SER A 32 -6.409 6.395 6.171 1.00 0.00 O ATOM 462 CB SER A 32 -6.394 8.421 8.822 1.00 0.00 C ATOM 463 OG SER A 32 -7.600 7.731 9.102 1.00 0.00 O ATOM 0 H SER A 32 -8.124 8.764 7.132 1.00 0.00 H new ATOM 0 HA SER A 32 -5.252 9.170 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.573 7.938 9.352 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.466 9.439 9.205 1.00 0.00 H new ATOM 0 HG SER A 32 -7.432 7.039 9.775 1.00 0.00 H new ATOM 469 N VAL A 33 -4.409 6.664 7.189 1.00 0.00 N ATOM 470 CA VAL A 33 -3.971 5.279 7.020 1.00 0.00 C ATOM 471 C VAL A 33 -5.008 4.365 7.674 1.00 0.00 C ATOM 472 O VAL A 33 -5.525 3.464 7.022 1.00 0.00 O ATOM 473 CB VAL A 33 -2.569 5.063 7.631 1.00 0.00 C ATOM 474 CG1 VAL A 33 -2.087 3.606 7.533 1.00 0.00 C ATOM 475 CG2 VAL A 33 -1.514 5.964 6.973 1.00 0.00 C ATOM 0 H VAL A 33 -3.707 7.269 7.616 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.892 5.042 5.959 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.679 5.325 8.683 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.096 3.520 7.979 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.782 2.956 8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.040 3.308 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.542 5.781 7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.460 5.742 5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.790 7.009 7.113 1.00 0.00 H new ATOM 485 N SER A 34 -5.341 4.612 8.943 1.00 0.00 N ATOM 486 CA SER A 34 -6.232 3.776 9.740 1.00 0.00 C ATOM 487 C SER A 34 -7.572 3.509 9.043 1.00 0.00 C ATOM 488 O SER A 34 -8.137 2.418 9.134 1.00 0.00 O ATOM 489 CB SER A 34 -6.388 4.480 11.096 1.00 0.00 C ATOM 490 OG SER A 34 -7.007 5.749 10.941 1.00 0.00 O ATOM 0 H SER A 34 -4.988 5.420 9.455 1.00 0.00 H new ATOM 0 HA SER A 34 -5.809 2.781 9.877 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.984 3.860 11.766 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.410 4.603 11.561 1.00 0.00 H new ATOM 0 HG SER A 34 -7.097 6.178 11.817 1.00 0.00 H new ATOM 496 N LYS A 35 -8.074 4.525 8.344 1.00 0.00 N ATOM 497 CA LYS A 35 -9.296 4.477 7.574 1.00 0.00 C ATOM 498 C LYS A 35 -9.054 3.660 6.308 1.00 0.00 C ATOM 499 O LYS A 35 -9.569 2.550 6.234 1.00 0.00 O ATOM 500 CB LYS A 35 -9.764 5.906 7.379 1.00 0.00 C ATOM 501 CG LYS A 35 -10.980 5.995 6.458 1.00 0.00 C ATOM 502 CD LYS A 35 -11.742 7.282 6.740 1.00 0.00 C ATOM 503 CE LYS A 35 -12.573 7.723 5.534 1.00 0.00 C ATOM 504 NZ LYS A 35 -12.883 9.166 5.562 1.00 0.00 N ATOM 0 H LYS A 35 -7.616 5.436 8.303 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.114 3.959 8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.011 6.341 8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.950 6.499 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.662 5.970 5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.630 5.134 6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.397 7.137 7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.038 8.071 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.032 7.488 4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.503 7.155 5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.447 9.416 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.423 9.388 6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.998 9.711 5.558 1.00 0.00 H new ATOM 518 N ALA A 36 -8.284 4.155 5.328 1.00 0.00 N ATOM 519 CA ALA A 36 -7.998 3.444 4.081 1.00 0.00 C ATOM 520 C ALA A 36 -7.590 1.988 4.255 1.00 0.00 C ATOM 521 O ALA A 36 -8.052 1.167 3.476 1.00 0.00 O ATOM 522 CB ALA A 36 -6.879 4.159 3.304 1.00 0.00 C ATOM 0 H ALA A 36 -7.839 5.071 5.383 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.942 3.451 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.676 3.620 2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.192 5.177 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.975 4.188 3.912 1.00 0.00 H new ATOM 528 N GLN A 37 -6.789 1.631 5.254 1.00 0.00 N ATOM 529 CA GLN A 37 -6.495 0.247 5.605 1.00 0.00 C ATOM 530 C GLN A 37 -7.786 -0.572 5.595 1.00 0.00 C ATOM 531 O GLN A 37 -7.902 -1.562 4.871 1.00 0.00 O ATOM 532 CB GLN A 37 -5.800 0.275 6.978 1.00 0.00 C ATOM 533 CG GLN A 37 -5.934 -0.996 7.848 1.00 0.00 C ATOM 534 CD GLN A 37 -6.253 -0.706 9.317 1.00 0.00 C ATOM 535 OE1 GLN A 37 -5.805 0.278 9.902 1.00 0.00 O ATOM 536 NE2 GLN A 37 -7.025 -1.560 9.963 1.00 0.00 N ATOM 0 H GLN A 37 -6.318 2.309 5.853 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.832 -0.235 4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.739 0.469 6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.197 1.118 7.543 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.719 -1.628 7.433 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.005 -1.563 7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.398 -2.377 9.479 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.249 -1.403 10.946 1.00 0.00 H new ATOM 545 N SER A 38 -8.752 -0.121 6.389 1.00 0.00 N ATOM 546 CA SER A 38 -9.998 -0.804 6.638 1.00 0.00 C ATOM 547 C SER A 38 -10.969 -0.666 5.450 1.00 0.00 C ATOM 548 O SER A 38 -11.983 -1.366 5.410 1.00 0.00 O ATOM 549 CB SER A 38 -10.591 -0.166 7.897 1.00 0.00 C ATOM 550 OG SER A 38 -11.574 -0.983 8.488 1.00 0.00 O ATOM 0 H SER A 38 -8.677 0.764 6.891 1.00 0.00 H new ATOM 0 HA SER A 38 -9.830 -1.873 6.770 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.795 0.023 8.617 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.027 0.800 7.643 1.00 0.00 H new ATOM 0 HG SER A 38 -12.085 -1.440 7.787 1.00 0.00 H new ATOM 556 N ILE A 39 -10.707 0.245 4.504 1.00 0.00 N ATOM 557 CA ILE A 39 -11.512 0.428 3.300 1.00 0.00 C ATOM 558 C ILE A 39 -10.997 -0.494 2.191 1.00 0.00 C ATOM 559 O ILE A 39 -11.774 -1.155 1.509 1.00 0.00 O ATOM 560 CB ILE A 39 -11.573 1.922 2.888 1.00 0.00 C ATOM 561 CG1 ILE A 39 -12.273 2.714 4.019 1.00 0.00 C ATOM 562 CG2 ILE A 39 -12.233 2.114 1.508 1.00 0.00 C ATOM 563 CD1 ILE A 39 -12.824 4.092 3.658 1.00 0.00 C ATOM 0 H ILE A 39 -9.914 0.885 4.559 1.00 0.00 H new ATOM 0 HA ILE A 39 -12.544 0.141 3.501 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.563 2.315 2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.096 2.108 4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.563 2.836 4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.255 3.175 1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.660 1.576 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.252 1.727 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.288 4.540 4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -12.011 4.730 3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.567 3.991 2.867 1.00 0.00 H new ATOM 575 N TYR A 40 -9.687 -0.502 1.978 1.00 0.00 N ATOM 576 CA TYR A 40 -9.046 -1.100 0.821 1.00 0.00 C ATOM 577 C TYR A 40 -8.617 -2.543 1.090 1.00 0.00 C ATOM 578 O TYR A 40 -8.288 -3.260 0.145 1.00 0.00 O ATOM 579 CB TYR A 40 -7.869 -0.202 0.424 1.00 0.00 C ATOM 580 CG TYR A 40 -8.286 1.073 -0.301 1.00 0.00 C ATOM 581 CD1 TYR A 40 -8.771 2.198 0.400 1.00 0.00 C ATOM 582 CD2 TYR A 40 -8.084 1.177 -1.683 1.00 0.00 C ATOM 583 CE1 TYR A 40 -9.159 3.375 -0.273 1.00 0.00 C ATOM 584 CE2 TYR A 40 -8.435 2.350 -2.355 1.00 0.00 C ATOM 585 CZ TYR A 40 -9.059 3.417 -1.681 1.00 0.00 C ATOM 586 OH TYR A 40 -9.543 4.463 -2.409 1.00 0.00 O ATOM 0 H TYR A 40 -9.024 -0.079 2.627 1.00 0.00 H new ATOM 0 HA TYR A 40 -9.751 -1.163 -0.008 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.310 0.067 1.321 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.192 -0.768 -0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.847 2.156 1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.656 0.349 -2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.526 4.228 0.278 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.224 2.440 -3.410 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.376 4.304 -3.361 1.00 0.00 H new ATOM 596 N GLY A 41 -8.638 -2.988 2.349 1.00 0.00 N ATOM 597 CA GLY A 41 -8.271 -4.347 2.719 1.00 0.00 C ATOM 598 C GLY A 41 -6.755 -4.484 2.814 1.00 0.00 C ATOM 599 O GLY A 41 -6.206 -5.556 2.547 1.00 0.00 O ATOM 0 H GLY A 41 -8.913 -2.408 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.726 -4.605 3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.660 -5.049 1.981 1.00 0.00 H new ATOM 603 N ILE A 42 -6.067 -3.397 3.160 1.00 0.00 N ATOM 604 CA ILE A 42 -4.624 -3.356 3.341 1.00 0.00 C ATOM 605 C ILE A 42 -4.355 -3.577 4.840 1.00 0.00 C ATOM 606 O ILE A 42 -5.133 -3.085 5.663 1.00 0.00 O ATOM 607 CB ILE A 42 -4.068 -1.988 2.875 1.00 0.00 C ATOM 608 CG1 ILE A 42 -4.696 -1.383 1.610 1.00 0.00 C ATOM 609 CG2 ILE A 42 -2.537 -2.079 2.738 1.00 0.00 C ATOM 610 CD1 ILE A 42 -4.371 -2.069 0.296 1.00 0.00 C ATOM 0 H ILE A 42 -6.515 -2.496 3.326 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.129 -4.125 2.748 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.358 -1.286 3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.779 -1.381 1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.381 -0.342 1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.143 -1.117 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.100 -2.340 3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.282 -2.844 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.873 -1.549 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.294 -2.048 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.713 -3.103 0.331 1.00 0.00 H new ATOM 622 N PRO A 43 -3.287 -4.284 5.247 1.00 0.00 N ATOM 623 CA PRO A 43 -2.799 -4.220 6.622 1.00 0.00 C ATOM 624 C PRO A 43 -2.358 -2.799 6.968 1.00 0.00 C ATOM 625 O PRO A 43 -1.768 -2.123 6.124 1.00 0.00 O ATOM 626 CB PRO A 43 -1.580 -5.143 6.690 1.00 0.00 C ATOM 627 CG PRO A 43 -1.626 -5.970 5.414 1.00 0.00 C ATOM 628 CD PRO A 43 -2.445 -5.141 4.433 1.00 0.00 C ATOM 0 HA PRO A 43 -3.582 -4.515 7.321 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.656 -4.569 6.753 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.619 -5.781 7.573 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.623 -6.158 5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.087 -6.942 5.590 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.798 -4.551 3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.046 -5.781 3.787 1.00 0.00 H new ATOM 636 N HIS A 44 -2.539 -2.369 8.217 1.00 0.00 N ATOM 637 CA HIS A 44 -2.144 -1.020 8.609 1.00 0.00 C ATOM 638 C HIS A 44 -0.636 -0.843 8.487 1.00 0.00 C ATOM 639 O HIS A 44 -0.192 0.150 7.927 1.00 0.00 O ATOM 640 CB HIS A 44 -2.585 -0.713 10.034 1.00 0.00 C ATOM 641 CG HIS A 44 -2.465 0.744 10.380 1.00 0.00 C ATOM 642 ND1 HIS A 44 -3.456 1.675 10.213 1.00 0.00 N ATOM 643 CD2 HIS A 44 -1.375 1.382 10.900 1.00 0.00 C ATOM 644 CE1 HIS A 44 -2.973 2.859 10.615 1.00 0.00 C ATOM 645 NE2 HIS A 44 -1.722 2.724 11.076 1.00 0.00 N ATOM 0 H HIS A 44 -2.951 -2.928 8.964 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.639 -0.322 7.934 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.620 -1.029 10.165 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.983 -1.298 10.730 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.392 1.499 9.849 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.421 0.932 11.132 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.516 3.792 10.573 1.00 0.00 H new ATOM 653 N SER A 45 0.147 -1.802 8.992 1.00 0.00 N ATOM 654 CA SER A 45 1.598 -1.688 8.989 1.00 0.00 C ATOM 655 C SER A 45 2.128 -1.622 7.556 1.00 0.00 C ATOM 656 O SER A 45 3.018 -0.818 7.280 1.00 0.00 O ATOM 657 CB SER A 45 2.215 -2.850 9.773 1.00 0.00 C ATOM 658 OG SER A 45 3.240 -2.381 10.617 1.00 0.00 O ATOM 0 H SER A 45 -0.206 -2.664 9.407 1.00 0.00 H new ATOM 0 HA SER A 45 1.887 -0.761 9.483 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.446 -3.347 10.365 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.615 -3.592 9.082 1.00 0.00 H new ATOM 0 HG SER A 45 3.625 -3.133 11.114 1.00 0.00 H new ATOM 664 N THR A 46 1.559 -2.411 6.629 1.00 0.00 N ATOM 665 CA THR A 46 1.882 -2.246 5.222 1.00 0.00 C ATOM 666 C THR A 46 1.533 -0.824 4.786 1.00 0.00 C ATOM 667 O THR A 46 2.405 -0.125 4.282 1.00 0.00 O ATOM 668 CB THR A 46 1.153 -3.312 4.382 1.00 0.00 C ATOM 669 OG1 THR A 46 1.623 -4.615 4.702 1.00 0.00 O ATOM 670 CG2 THR A 46 1.317 -3.109 2.870 1.00 0.00 C ATOM 0 H THR A 46 0.888 -3.152 6.833 1.00 0.00 H new ATOM 0 HA THR A 46 2.951 -2.391 5.063 1.00 0.00 H new ATOM 0 HB THR A 46 0.097 -3.205 4.631 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.268 -5.259 4.055 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.779 -3.893 2.337 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.914 -2.136 2.588 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.375 -3.153 2.610 1.00 0.00 H new ATOM 678 N LEU A 47 0.281 -0.393 4.960 1.00 0.00 N ATOM 679 CA LEU A 47 -0.190 0.873 4.428 1.00 0.00 C ATOM 680 C LEU A 47 0.643 2.042 4.937 1.00 0.00 C ATOM 681 O LEU A 47 0.993 2.895 4.133 1.00 0.00 O ATOM 682 CB LEU A 47 -1.671 1.080 4.761 1.00 0.00 C ATOM 683 CG LEU A 47 -2.247 2.296 4.006 1.00 0.00 C ATOM 684 CD1 LEU A 47 -2.382 2.002 2.519 1.00 0.00 C ATOM 685 CD2 LEU A 47 -3.671 2.573 4.468 1.00 0.00 C ATOM 0 H LEU A 47 -0.428 -0.916 5.474 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.077 0.837 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.234 0.185 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.788 1.226 5.835 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.570 3.128 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.790 2.876 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.402 1.766 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.051 1.153 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.068 3.433 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.294 1.701 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.672 2.783 5.538 1.00 0.00 H new ATOM 697 N GLU A 48 0.979 2.071 6.229 1.00 0.00 N ATOM 698 CA GLU A 48 1.873 3.063 6.810 1.00 0.00 C ATOM 699 C GLU A 48 3.151 3.104 5.999 1.00 0.00 C ATOM 700 O GLU A 48 3.387 4.091 5.299 1.00 0.00 O ATOM 701 CB GLU A 48 2.232 2.722 8.265 1.00 0.00 C ATOM 702 CG GLU A 48 1.174 3.185 9.254 1.00 0.00 C ATOM 703 CD GLU A 48 1.740 3.302 10.666 1.00 0.00 C ATOM 704 OE1 GLU A 48 1.765 2.309 11.435 1.00 0.00 O ATOM 705 OE2 GLU A 48 2.200 4.410 11.030 1.00 0.00 O ATOM 0 H GLU A 48 0.630 1.394 6.907 1.00 0.00 H new ATOM 0 HA GLU A 48 1.363 4.026 6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.365 1.644 8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.186 3.184 8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.778 4.150 8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.341 2.482 9.252 1.00 0.00 H new ATOM 712 N TYR A 49 3.949 2.035 6.088 1.00 0.00 N ATOM 713 CA TYR A 49 5.249 1.954 5.449 1.00 0.00 C ATOM 714 C TYR A 49 5.121 2.419 4.014 1.00 0.00 C ATOM 715 O TYR A 49 5.884 3.262 3.570 1.00 0.00 O ATOM 716 CB TYR A 49 5.748 0.501 5.460 1.00 0.00 C ATOM 717 CG TYR A 49 6.838 0.208 4.445 1.00 0.00 C ATOM 718 CD1 TYR A 49 8.190 0.507 4.686 1.00 0.00 C ATOM 719 CD2 TYR A 49 6.460 -0.303 3.197 1.00 0.00 C ATOM 720 CE1 TYR A 49 9.146 0.296 3.673 1.00 0.00 C ATOM 721 CE2 TYR A 49 7.407 -0.562 2.198 1.00 0.00 C ATOM 722 CZ TYR A 49 8.761 -0.251 2.428 1.00 0.00 C ATOM 723 OH TYR A 49 9.675 -0.509 1.453 1.00 0.00 O ATOM 0 H TYR A 49 3.700 1.197 6.613 1.00 0.00 H new ATOM 0 HA TYR A 49 5.957 2.583 5.989 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.122 0.265 6.456 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.904 -0.162 5.271 1.00 0.00 H new ATOM 0 HD1 TYR A 49 8.495 0.898 5.646 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.417 -0.501 3.001 1.00 0.00 H new ATOM 0 HE1 TYR A 49 10.180 0.554 3.849 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.101 -0.997 1.258 1.00 0.00 H new ATOM 0 HH TYR A 49 9.924 0.328 1.009 1.00 0.00 H new ATOM 733 N LYS A 50 4.145 1.879 3.290 1.00 0.00 N ATOM 734 CA LYS A 50 3.982 2.109 1.884 1.00 0.00 C ATOM 735 C LYS A 50 3.700 3.582 1.627 1.00 0.00 C ATOM 736 O LYS A 50 4.416 4.151 0.821 1.00 0.00 O ATOM 737 CB LYS A 50 2.899 1.160 1.380 1.00 0.00 C ATOM 738 CG LYS A 50 3.320 -0.305 1.242 1.00 0.00 C ATOM 739 CD LYS A 50 4.440 -0.474 0.209 1.00 0.00 C ATOM 740 CE LYS A 50 4.660 -1.925 -0.220 1.00 0.00 C ATOM 741 NZ LYS A 50 5.431 -1.986 -1.477 1.00 0.00 N ATOM 0 H LYS A 50 3.438 1.259 3.686 1.00 0.00 H new ATOM 0 HA LYS A 50 4.892 1.893 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.049 1.213 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.553 1.514 0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.656 -0.681 2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.459 -0.906 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.205 0.125 -0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.368 -0.081 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.190 -2.465 0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.698 -2.420 -0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.570 -2.980 -1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.911 -1.489 -2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.357 -1.533 -1.339 1.00 0.00 H new ATOM 755 N VAL A 51 2.765 4.238 2.312 1.00 0.00 N ATOM 756 CA VAL A 51 2.590 5.686 2.195 1.00 0.00 C ATOM 757 C VAL A 51 3.927 6.397 2.486 1.00 0.00 C ATOM 758 O VAL A 51 4.401 7.172 1.660 1.00 0.00 O ATOM 759 CB VAL A 51 1.446 6.133 3.129 1.00 0.00 C ATOM 760 CG1 VAL A 51 1.273 7.651 3.183 1.00 0.00 C ATOM 761 CG2 VAL A 51 0.073 5.593 2.702 1.00 0.00 C ATOM 0 H VAL A 51 2.114 3.788 2.956 1.00 0.00 H new ATOM 0 HA VAL A 51 2.305 5.963 1.180 1.00 0.00 H new ATOM 0 HB VAL A 51 1.749 5.732 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.453 7.900 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.193 8.109 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.049 8.027 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.688 5.943 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.162 5.949 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.094 4.503 2.705 1.00 0.00 H new ATOM 771 N LYS A 52 4.557 6.115 3.631 1.00 0.00 N ATOM 772 CA LYS A 52 5.767 6.783 4.139 1.00 0.00 C ATOM 773 C LYS A 52 6.959 6.636 3.202 1.00 0.00 C ATOM 774 O LYS A 52 7.798 7.537 3.112 1.00 0.00 O ATOM 775 CB LYS A 52 6.053 6.209 5.541 1.00 0.00 C ATOM 776 CG LYS A 52 5.030 6.795 6.527 1.00 0.00 C ATOM 777 CD LYS A 52 4.399 5.790 7.497 1.00 0.00 C ATOM 778 CE LYS A 52 4.243 6.277 8.934 1.00 0.00 C ATOM 779 NZ LYS A 52 5.505 6.177 9.680 1.00 0.00 N ATOM 0 H LYS A 52 4.225 5.383 4.259 1.00 0.00 H new ATOM 0 HA LYS A 52 5.596 7.858 4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.984 5.121 5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.067 6.460 5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.518 7.577 7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.233 7.272 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.416 5.512 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.007 4.885 7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.902 7.312 8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.475 5.689 9.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.361 6.517 10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.818 5.185 9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.231 6.758 9.214 1.00 0.00 H new ATOM 793 N GLU A 53 7.004 5.523 2.495 1.00 0.00 N ATOM 794 CA GLU A 53 7.988 5.143 1.507 1.00 0.00 C ATOM 795 C GLU A 53 7.700 5.872 0.187 1.00 0.00 C ATOM 796 O GLU A 53 8.549 6.564 -0.378 1.00 0.00 O ATOM 797 CB GLU A 53 7.912 3.618 1.370 1.00 0.00 C ATOM 798 CG GLU A 53 8.738 3.009 0.253 1.00 0.00 C ATOM 799 CD GLU A 53 10.222 2.802 0.580 1.00 0.00 C ATOM 800 OE1 GLU A 53 10.942 3.765 0.947 1.00 0.00 O ATOM 801 OE2 GLU A 53 10.683 1.644 0.466 1.00 0.00 O ATOM 0 H GLU A 53 6.291 4.802 2.609 1.00 0.00 H new ATOM 0 HA GLU A 53 8.999 5.426 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.228 3.172 2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.870 3.338 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.303 2.046 -0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.661 3.650 -0.625 1.00 0.00 H new ATOM 808 N ARG A 54 6.476 5.720 -0.321 1.00 0.00 N ATOM 809 CA ARG A 54 6.013 6.283 -1.586 1.00 0.00 C ATOM 810 C ARG A 54 6.009 7.808 -1.563 1.00 0.00 C ATOM 811 O ARG A 54 6.107 8.419 -2.620 1.00 0.00 O ATOM 812 CB ARG A 54 4.615 5.742 -1.890 1.00 0.00 C ATOM 813 CG ARG A 54 4.546 4.232 -2.157 1.00 0.00 C ATOM 814 CD ARG A 54 5.145 3.795 -3.488 1.00 0.00 C ATOM 815 NE ARG A 54 4.545 2.514 -3.899 1.00 0.00 N ATOM 816 CZ ARG A 54 3.352 2.404 -4.501 1.00 0.00 C ATOM 817 NH1 ARG A 54 2.697 3.491 -4.881 1.00 0.00 N ATOM 818 NH2 ARG A 54 2.827 1.205 -4.708 1.00 0.00 N ATOM 0 H ARG A 54 5.754 5.181 0.157 1.00 0.00 H new ATOM 0 HA ARG A 54 6.704 5.983 -2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.961 5.977 -1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.220 6.268 -2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.063 3.710 -1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.503 3.918 -2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.963 4.555 -4.248 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.226 3.690 -3.396 1.00 0.00 H new ATOM 0 HE ARG A 54 5.069 1.659 -3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.100 4.413 -4.716 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.790 3.406 -5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.330 0.369 -4.410 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.920 1.118 -5.166 1.00 0.00 H new ATOM 832 N LEU A 55 5.992 8.419 -0.375 1.00 0.00 N ATOM 833 CA LEU A 55 6.285 9.828 -0.117 1.00 0.00 C ATOM 834 C LEU A 55 7.715 10.240 -0.522 1.00 0.00 C ATOM 835 O LEU A 55 8.063 11.413 -0.390 1.00 0.00 O ATOM 836 CB LEU A 55 5.966 10.146 1.359 1.00 0.00 C ATOM 837 CG LEU A 55 4.464 10.394 1.622 1.00 0.00 C ATOM 838 CD1 LEU A 55 4.168 10.387 3.125 1.00 0.00 C ATOM 839 CD2 LEU A 55 3.968 11.712 1.019 1.00 0.00 C ATOM 0 H LEU A 55 5.760 7.913 0.480 1.00 0.00 H new ATOM 0 HA LEU A 55 5.643 10.434 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.305 9.319 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.531 11.027 1.664 1.00 0.00 H new ATOM 0 HG LEU A 55 3.930 9.579 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.105 10.564 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.444 9.420 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.745 11.173 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.907 11.834 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.524 12.543 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.120 11.698 -0.060 1.00 0.00 H new ATOM 851 N GLY A 56 8.543 9.323 -1.034 1.00 0.00 N ATOM 852 CA GLY A 56 9.650 9.640 -1.930 1.00 0.00 C ATOM 853 C GLY A 56 11.019 9.227 -1.419 1.00 0.00 C ATOM 854 O GLY A 56 12.021 9.518 -2.073 1.00 0.00 O ATOM 0 H GLY A 56 8.458 8.327 -0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.474 9.154 -2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.655 10.714 -2.113 1.00 0.00 H new ATOM 858 N THR A 57 11.101 8.532 -0.285 1.00 0.00 N ATOM 859 CA THR A 57 12.354 8.019 0.273 1.00 0.00 C ATOM 860 C THR A 57 13.087 7.120 -0.731 1.00 0.00 C ATOM 861 O THR A 57 14.313 7.130 -0.803 1.00 0.00 O ATOM 862 CB THR A 57 12.027 7.270 1.572 1.00 0.00 C ATOM 863 OG1 THR A 57 10.934 6.415 1.363 1.00 0.00 O ATOM 864 CG2 THR A 57 11.557 8.236 2.670 1.00 0.00 C ATOM 0 H THR A 57 10.284 8.305 0.283 1.00 0.00 H new ATOM 0 HA THR A 57 13.030 8.847 0.489 1.00 0.00 H new ATOM 0 HB THR A 57 12.934 6.742 1.864 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.255 5.498 1.239 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.333 7.675 3.577 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.343 8.962 2.877 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.660 8.758 2.336 1.00 0.00 H new ATOM 872 N LEU A 58 12.310 6.434 -1.568 1.00 0.00 N ATOM 873 CA LEU A 58 12.689 5.555 -2.665 1.00 0.00 C ATOM 874 C LEU A 58 13.824 6.125 -3.512 1.00 0.00 C ATOM 875 O LEU A 58 14.851 5.463 -3.670 1.00 0.00 O ATOM 876 CB LEU A 58 11.433 5.313 -3.513 1.00 0.00 C ATOM 877 CG LEU A 58 10.365 4.529 -2.727 1.00 0.00 C ATOM 878 CD1 LEU A 58 8.965 4.869 -3.228 1.00 0.00 C ATOM 879 CD2 LEU A 58 10.612 3.028 -2.836 1.00 0.00 C ATOM 0 H LEU A 58 11.295 6.488 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 58 13.072 4.618 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.020 6.269 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.701 4.761 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 58 10.437 4.820 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.227 4.304 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.782 5.936 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.884 4.611 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.847 2.492 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.571 2.728 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.595 2.790 -2.429 1.00 0.00 H new ATOM 891 N LYS A 59 13.639 7.337 -4.051 1.00 0.00 N ATOM 892 CA LYS A 59 14.619 8.131 -4.800 1.00 0.00 C ATOM 893 C LYS A 59 15.236 7.442 -6.028 1.00 0.00 C ATOM 894 O LYS A 59 16.121 8.038 -6.643 1.00 0.00 O ATOM 895 CB LYS A 59 15.688 8.683 -3.826 1.00 0.00 C ATOM 896 CG LYS A 59 16.194 10.086 -4.208 1.00 0.00 C ATOM 897 CD LYS A 59 17.206 10.637 -3.192 1.00 0.00 C ATOM 898 CE LYS A 59 17.597 12.066 -3.581 1.00 0.00 C ATOM 899 NZ LYS A 59 18.468 12.710 -2.579 1.00 0.00 N ATOM 0 H LYS A 59 12.744 7.819 -3.970 1.00 0.00 H new ATOM 0 HA LYS A 59 14.065 8.958 -5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.270 8.717 -2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.533 7.995 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.657 10.047 -5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.347 10.768 -4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.774 10.627 -2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.091 10.002 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.108 12.049 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.694 12.663 -3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.702 13.674 -2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.973 12.753 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 19.343 12.158 -2.474 1.00 0.00 H new ATOM 913 N ASN A 60 14.785 6.258 -6.460 1.00 0.00 N ATOM 914 CA ASN A 60 15.386 5.488 -7.561 1.00 0.00 C ATOM 915 C ASN A 60 14.347 5.237 -8.673 1.00 0.00 C ATOM 916 O ASN A 60 13.882 4.101 -8.813 1.00 0.00 O ATOM 917 CB ASN A 60 16.002 4.195 -6.981 1.00 0.00 C ATOM 918 CG ASN A 60 16.930 3.453 -7.943 1.00 0.00 C ATOM 919 OD1 ASN A 60 18.125 3.326 -7.685 1.00 0.00 O ATOM 920 ND2 ASN A 60 16.418 2.902 -9.030 1.00 0.00 N ATOM 0 H ASN A 60 13.975 5.797 -6.046 1.00 0.00 H new ATOM 0 HA ASN A 60 16.191 6.049 -8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.559 4.445 -6.078 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.196 3.525 -6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.015 2.367 -9.661 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.425 3.011 -9.238 1.00 0.00 H new ATOM 927 N PRO A 61 13.934 6.264 -9.443 1.00 0.00 N ATOM 928 CA PRO A 61 12.861 6.154 -10.432 1.00 0.00 C ATOM 929 C PRO A 61 13.287 5.369 -11.686 1.00 0.00 C ATOM 930 O PRO A 61 14.143 5.845 -12.440 1.00 0.00 O ATOM 931 CB PRO A 61 12.474 7.589 -10.788 1.00 0.00 C ATOM 932 CG PRO A 61 13.733 8.396 -10.494 1.00 0.00 C ATOM 933 CD PRO A 61 14.374 7.648 -9.331 1.00 0.00 C ATOM 0 HA PRO A 61 12.021 5.595 -10.020 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.180 7.675 -11.834 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.630 7.934 -10.191 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.395 8.436 -11.359 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.496 9.426 -10.227 1.00 0.00 H new ATOM 0 HD2 PRO A 61 15.461 7.715 -9.377 1.00 0.00 H new ATOM 0 HD3 PRO A 61 14.068 8.077 -8.377 1.00 0.00 H new ATOM 941 N PRO A 62 12.698 4.195 -11.975 1.00 0.00 N ATOM 942 CA PRO A 62 13.089 3.382 -13.120 1.00 0.00 C ATOM 943 C PRO A 62 12.631 4.005 -14.443 1.00 0.00 C ATOM 944 O PRO A 62 11.506 4.513 -14.544 1.00 0.00 O ATOM 945 CB PRO A 62 12.422 2.024 -12.885 1.00 0.00 C ATOM 946 CG PRO A 62 11.168 2.367 -12.087 1.00 0.00 C ATOM 947 CD PRO A 62 11.620 3.549 -11.237 1.00 0.00 C ATOM 0 HA PRO A 62 14.173 3.298 -13.202 1.00 0.00 H new ATOM 0 HB2 PRO A 62 12.175 1.532 -13.826 1.00 0.00 H new ATOM 0 HB3 PRO A 62 13.075 1.348 -12.333 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.335 2.632 -12.738 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.838 1.529 -11.472 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.796 4.242 -11.066 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.965 3.215 -10.258 1.00 0.00 H new ATOM 955 N LYS A 63 13.484 3.906 -15.473 1.00 0.00 N ATOM 956 CA LYS A 63 13.149 4.108 -16.883 1.00 0.00 C ATOM 957 C LYS A 63 13.969 3.137 -17.738 1.00 0.00 C ATOM 958 O LYS A 63 14.988 3.524 -18.310 1.00 0.00 O ATOM 959 CB LYS A 63 13.359 5.577 -17.327 1.00 0.00 C ATOM 960 CG LYS A 63 12.303 6.501 -16.711 1.00 0.00 C ATOM 961 CD LYS A 63 12.029 7.799 -17.477 1.00 0.00 C ATOM 962 CE LYS A 63 10.876 8.580 -16.819 1.00 0.00 C ATOM 963 NZ LYS A 63 9.571 7.883 -16.886 1.00 0.00 N ATOM 0 H LYS A 63 14.467 3.673 -15.336 1.00 0.00 H new ATOM 0 HA LYS A 63 12.088 3.900 -17.023 1.00 0.00 H new ATOM 0 HB2 LYS A 63 14.354 5.910 -17.031 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.312 5.641 -18.414 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.368 5.947 -16.625 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.617 6.757 -15.699 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.929 8.414 -17.496 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.777 7.571 -18.513 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.125 8.767 -15.774 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.784 9.552 -17.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.811 8.545 -16.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.414 7.533 -17.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.571 7.082 -16.223 1.00 0.00 H new ATOM 977 N LYS A 64 13.544 1.872 -17.817 1.00 0.00 N ATOM 978 CA LYS A 64 14.053 0.873 -18.761 1.00 0.00 C ATOM 979 C LYS A 64 12.854 0.116 -19.336 1.00 0.00 C ATOM 980 O LYS A 64 12.637 -1.043 -18.976 1.00 0.00 O ATOM 981 CB LYS A 64 15.060 -0.109 -18.116 1.00 0.00 C ATOM 982 CG LYS A 64 16.382 0.495 -17.624 1.00 0.00 C ATOM 983 CD LYS A 64 16.324 0.894 -16.144 1.00 0.00 C ATOM 984 CE LYS A 64 17.629 1.547 -15.692 1.00 0.00 C ATOM 985 NZ LYS A 64 18.771 0.609 -15.661 1.00 0.00 N ATOM 0 H LYS A 64 12.814 1.504 -17.207 1.00 0.00 H new ATOM 0 HA LYS A 64 14.605 1.387 -19.548 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.571 -0.594 -17.271 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.290 -0.889 -18.842 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.186 -0.226 -17.772 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.625 1.371 -18.225 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.495 1.584 -15.984 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.127 0.012 -15.535 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.865 2.374 -16.362 1.00 0.00 H new ATOM 0 HE3 LYS A 64 17.490 1.972 -14.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.617 1.104 -15.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.551 -0.185 -15.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.950 0.248 -16.620 1.00 0.00 H new ATOM 999 N LYS A 65 12.058 0.749 -20.199 1.00 0.00 N ATOM 1000 CA LYS A 65 11.114 0.047 -21.077 1.00 0.00 C ATOM 1001 C LYS A 65 10.796 0.868 -22.325 1.00 0.00 C ATOM 1002 O LYS A 65 10.580 0.292 -23.385 1.00 0.00 O ATOM 1003 CB LYS A 65 9.828 -0.405 -20.351 1.00 0.00 C ATOM 1004 CG LYS A 65 8.929 0.727 -19.834 1.00 0.00 C ATOM 1005 CD LYS A 65 7.678 0.201 -19.112 1.00 0.00 C ATOM 1006 CE LYS A 65 6.691 -0.502 -20.052 1.00 0.00 C ATOM 1007 NZ LYS A 65 5.386 -0.720 -19.394 1.00 0.00 N ATOM 0 H LYS A 65 12.048 1.763 -20.311 1.00 0.00 H new ATOM 0 HA LYS A 65 11.617 -0.867 -21.394 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.246 -1.025 -21.032 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.110 -1.036 -19.508 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.500 1.358 -19.152 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.624 1.356 -20.671 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.983 -0.494 -18.330 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.173 1.033 -18.621 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.552 0.098 -20.951 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.106 -1.459 -20.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.740 -1.197 -20.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.518 -1.313 -18.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.981 0.196 -19.114 1.00 0.00 H new ATOM 1021 N MET A 66 10.747 2.198 -22.227 1.00 0.00 N ATOM 1022 CA MET A 66 10.403 3.060 -23.352 1.00 0.00 C ATOM 1023 C MET A 66 10.950 4.459 -23.094 1.00 0.00 C ATOM 1024 O MET A 66 10.756 4.993 -21.998 1.00 0.00 O ATOM 1025 CB MET A 66 8.874 3.077 -23.489 1.00 0.00 C ATOM 1026 CG MET A 66 8.366 3.936 -24.649 1.00 0.00 C ATOM 1027 SD MET A 66 6.618 3.661 -25.025 1.00 0.00 S ATOM 1028 CE MET A 66 5.897 4.346 -23.511 1.00 0.00 C ATOM 0 H MET A 66 10.945 2.705 -21.364 1.00 0.00 H new ATOM 0 HA MET A 66 10.840 2.692 -24.280 1.00 0.00 H new ATOM 0 HB2 MET A 66 8.520 2.055 -23.624 1.00 0.00 H new ATOM 0 HB3 MET A 66 8.440 3.445 -22.560 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.518 4.988 -24.408 1.00 0.00 H new ATOM 0 HG3 MET A 66 8.960 3.724 -25.538 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.816 4.429 -23.628 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.122 3.688 -22.671 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.319 5.333 -23.322 1.00 0.00 H new ATOM 1038 N LYS A 67 11.617 5.063 -24.080 1.00 0.00 N ATOM 1039 CA LYS A 67 12.156 6.427 -23.976 1.00 0.00 C ATOM 1040 C LYS A 67 11.942 7.231 -25.256 1.00 0.00 C ATOM 1041 O LYS A 67 12.123 8.446 -25.236 1.00 0.00 O ATOM 1042 CB LYS A 67 13.656 6.353 -23.627 1.00 0.00 C ATOM 1043 CG LYS A 67 14.281 7.687 -23.164 1.00 0.00 C ATOM 1044 CD LYS A 67 15.523 8.119 -23.966 1.00 0.00 C ATOM 1045 CE LYS A 67 15.264 8.553 -25.418 1.00 0.00 C ATOM 1046 NZ LYS A 67 14.519 9.827 -25.517 1.00 0.00 N ATOM 0 H LYS A 67 11.801 4.619 -24.980 1.00 0.00 H new ATOM 0 HA LYS A 67 11.616 6.947 -23.185 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.795 5.611 -22.841 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.201 5.997 -24.501 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.527 8.471 -23.234 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.554 7.601 -22.112 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.003 8.944 -23.440 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.232 7.291 -23.975 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.217 8.655 -25.936 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.704 7.771 -25.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.716 10.274 -26.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.499 9.640 -25.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.817 10.464 -24.751 1.00 0.00 H new ATOM 1060 N LEU A 68 11.624 6.586 -26.374 1.00 0.00 N ATOM 1061 CA LEU A 68 11.484 7.218 -27.677 1.00 0.00 C ATOM 1062 C LEU A 68 10.318 6.575 -28.420 1.00 0.00 C ATOM 1063 O LEU A 68 9.791 5.546 -27.974 1.00 0.00 O ATOM 1064 CB LEU A 68 12.803 7.151 -28.477 1.00 0.00 C ATOM 1065 CG LEU A 68 13.349 5.748 -28.832 1.00 0.00 C ATOM 1066 CD1 LEU A 68 14.257 5.857 -30.063 1.00 0.00 C ATOM 1067 CD2 LEU A 68 14.176 5.132 -27.691 1.00 0.00 C ATOM 0 H LEU A 68 11.452 5.581 -26.397 1.00 0.00 H new ATOM 0 HA LEU A 68 11.265 8.278 -27.548 1.00 0.00 H new ATOM 0 HB2 LEU A 68 12.662 7.703 -29.406 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.570 7.677 -27.908 1.00 0.00 H new ATOM 0 HG LEU A 68 12.487 5.107 -29.019 1.00 0.00 H new ATOM 0 HD11 LEU A 68 14.645 4.871 -30.318 1.00 0.00 H new ATOM 0 HD12 LEU A 68 13.685 6.250 -30.903 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.088 6.528 -29.844 1.00 0.00 H new ATOM 0 HD21 LEU A 68 14.535 4.148 -27.992 1.00 0.00 H new ATOM 0 HD22 LEU A 68 15.027 5.777 -27.469 1.00 0.00 H new ATOM 0 HD23 LEU A 68 13.553 5.034 -26.802 1.00 0.00 H new ATOM 1079 N MET A 69 9.915 7.184 -29.535 1.00 0.00 N ATOM 1080 CA MET A 69 8.979 6.568 -30.468 1.00 0.00 C ATOM 1081 C MET A 69 9.619 5.275 -30.984 1.00 0.00 C ATOM 1082 O MET A 69 10.840 5.229 -31.156 1.00 0.00 O ATOM 1083 CB MET A 69 8.666 7.547 -31.618 1.00 0.00 C ATOM 1084 CG MET A 69 7.195 7.483 -32.047 1.00 0.00 C ATOM 1085 SD MET A 69 5.999 8.052 -30.795 1.00 0.00 S ATOM 1086 CE MET A 69 6.356 9.831 -30.767 1.00 0.00 C ATOM 0 H MET A 69 10.228 8.114 -29.814 1.00 0.00 H new ATOM 0 HA MET A 69 8.033 6.333 -29.980 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.908 8.563 -31.305 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.303 7.317 -32.472 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.069 8.084 -32.947 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.955 6.454 -32.315 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.602 10.344 -30.170 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.340 9.998 -30.330 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.340 10.221 -31.785 1.00 0.00 H new ATOM 1096 N ARG A 70 8.821 4.229 -31.201 1.00 0.00 N ATOM 1097 CA ARG A 70 9.272 2.956 -31.758 1.00 0.00 C ATOM 1098 C ARG A 70 8.104 2.294 -32.461 1.00 0.00 C ATOM 1099 O ARG A 70 6.978 2.817 -32.314 1.00 0.00 O ATOM 1100 CB ARG A 70 9.907 2.060 -30.668 1.00 0.00 C ATOM 1101 CG ARG A 70 8.997 1.132 -29.836 1.00 0.00 C ATOM 1102 CD ARG A 70 7.829 1.791 -29.084 1.00 0.00 C ATOM 1103 NE ARG A 70 6.576 1.711 -29.848 1.00 0.00 N ATOM 1104 CZ ARG A 70 5.323 1.657 -29.397 1.00 0.00 C ATOM 1105 NH1 ARG A 70 5.063 1.677 -28.094 1.00 0.00 N ATOM 1106 NH2 ARG A 70 4.322 1.601 -30.263 1.00 0.00 N ATOM 0 H ARG A 70 7.823 4.245 -30.990 1.00 0.00 H new ATOM 0 HA ARG A 70 10.061 3.126 -32.491 1.00 0.00 H new ATOM 0 HB2 ARG A 70 10.658 1.436 -31.152 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.435 2.713 -29.973 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.586 0.374 -30.503 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.619 0.612 -29.107 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.698 1.304 -28.118 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.068 2.836 -28.885 1.00 0.00 H new ATOM 0 HE ARG A 70 6.680 1.695 -30.863 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.828 1.734 -27.422 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.098 1.635 -27.766 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.514 1.599 -31.265 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.359 1.559 -29.928 1.00 0.00 H new TER 1120 ARG A 70