USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 630 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: B 19 GLN : amide:sc= 0.843 K(o=2.9,f=-0.24) USER MOD Set 1.2: B 22 HIS : +bothHN:sc= 2.08 K(o=2.9,f=-13!) USER MOD Set 2.1: A 20 ASN : amide:sc= 1.19 K(o=1.2,f=-0.043) USER MOD Set 2.2: B 20 ASN :FLIP amide:sc= -0.0136 F(o=-1,f=1.2) USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 82:sc= 1.21 USER MOD Single : A 17 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.39) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.648 F(o=-3.6!,f=-0.65) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= 1.25 K(o=1.2,f=-4.8!) USER MOD Single : A 25 ASN : amide:sc= -0.0211 K(o=-0.021,f=-0.99!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -174:sc=-0.00162 (180deg=-0.0622) USER MOD Single : B 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -28.318 10.492 12.392 1.00 0.00 N ATOM 2 CA GLY A 0 -27.578 9.228 12.169 1.00 0.00 C ATOM 3 C GLY A 0 -26.885 9.201 10.823 1.00 0.00 C ATOM 4 O GLY A 0 -25.712 9.566 10.708 1.00 0.00 O ATOM 0 H1 GLY A 0 -28.776 10.466 13.325 1.00 0.00 H new ATOM 0 H2 GLY A 0 -27.656 11.293 12.354 1.00 0.00 H new ATOM 0 H3 GLY A 0 -29.042 10.605 11.654 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -26.839 9.098 12.959 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -28.269 8.388 12.237 1.00 0.00 H new ATOM 7 N ALA A 1 -27.614 8.782 9.800 1.00 0.00 N ATOM 8 CA ALA A 1 -27.066 8.663 8.459 1.00 0.00 C ATOM 9 C ALA A 1 -27.426 9.874 7.599 1.00 0.00 C ATOM 10 O ALA A 1 -27.826 10.921 8.114 1.00 0.00 O ATOM 11 CB ALA A 1 -27.563 7.379 7.813 1.00 0.00 C ATOM 0 H ALA A 1 -28.596 8.517 9.875 1.00 0.00 H new ATOM 0 HA ALA A 1 -25.979 8.628 8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -27.150 7.294 6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -27.244 6.524 8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -28.651 7.397 7.757 1.00 0.00 H new ATOM 17 N GLY A 2 -27.268 9.720 6.293 1.00 0.00 N ATOM 18 CA GLY A 2 -27.528 10.800 5.360 1.00 0.00 C ATOM 19 C GLY A 2 -26.541 10.760 4.217 1.00 0.00 C ATOM 20 O GLY A 2 -26.628 9.897 3.345 1.00 0.00 O ATOM 0 H GLY A 2 -26.959 8.852 5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -28.544 10.718 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -27.459 11.758 5.875 1.00 0.00 H new ATOM 24 N SER A 3 -25.588 11.672 4.230 1.00 0.00 N ATOM 25 CA SER A 3 -24.471 11.601 3.305 1.00 0.00 C ATOM 26 C SER A 3 -23.290 10.924 3.994 1.00 0.00 C ATOM 27 O SER A 3 -22.251 10.672 3.381 1.00 0.00 O ATOM 28 CB SER A 3 -24.085 13.003 2.820 1.00 0.00 C ATOM 29 OG SER A 3 -23.848 13.881 3.912 1.00 0.00 O ATOM 0 H SER A 3 -25.564 12.468 4.867 1.00 0.00 H new ATOM 0 HA SER A 3 -24.761 11.014 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.191 12.942 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.881 13.405 2.194 1.00 0.00 H new ATOM 0 HG SER A 3 -23.602 14.767 3.572 1.00 0.00 H new ATOM 35 N SER A 4 -23.488 10.616 5.275 1.00 0.00 N ATOM 36 CA SER A 4 -22.454 10.039 6.125 1.00 0.00 C ATOM 37 C SER A 4 -21.856 8.773 5.511 1.00 0.00 C ATOM 38 O SER A 4 -20.642 8.681 5.336 1.00 0.00 O ATOM 39 CB SER A 4 -23.036 9.732 7.510 1.00 0.00 C ATOM 40 OG SER A 4 -22.028 9.347 8.425 1.00 0.00 O ATOM 0 H SER A 4 -24.377 10.762 5.753 1.00 0.00 H new ATOM 0 HA SER A 4 -21.649 10.768 6.219 1.00 0.00 H new ATOM 0 HB2 SER A 4 -23.556 10.611 7.890 1.00 0.00 H new ATOM 0 HB3 SER A 4 -23.775 8.936 7.426 1.00 0.00 H new ATOM 0 HG SER A 4 -22.433 9.160 9.298 1.00 0.00 H new ATOM 46 N SER A 5 -22.711 7.812 5.169 1.00 0.00 N ATOM 47 CA SER A 5 -22.259 6.538 4.618 1.00 0.00 C ATOM 48 C SER A 5 -21.431 6.749 3.351 1.00 0.00 C ATOM 49 O SER A 5 -20.304 6.262 3.245 1.00 0.00 O ATOM 50 CB SER A 5 -23.462 5.635 4.325 1.00 0.00 C ATOM 51 OG SER A 5 -23.058 4.398 3.759 1.00 0.00 O ATOM 0 H SER A 5 -23.723 7.892 5.264 1.00 0.00 H new ATOM 0 HA SER A 5 -21.623 6.053 5.358 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.014 5.452 5.247 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.142 6.144 3.642 1.00 0.00 H new ATOM 0 HG SER A 5 -23.848 3.844 3.585 1.00 0.00 H new ATOM 57 N LEU A 6 -21.988 7.500 2.407 1.00 0.00 N ATOM 58 CA LEU A 6 -21.340 7.725 1.121 1.00 0.00 C ATOM 59 C LEU A 6 -20.005 8.448 1.294 1.00 0.00 C ATOM 60 O LEU A 6 -18.991 8.037 0.734 1.00 0.00 O ATOM 61 CB LEU A 6 -22.260 8.535 0.205 1.00 0.00 C ATOM 62 CG LEU A 6 -21.719 8.793 -1.201 1.00 0.00 C ATOM 63 CD1 LEU A 6 -21.536 7.485 -1.955 1.00 0.00 C ATOM 64 CD2 LEU A 6 -22.647 9.728 -1.962 1.00 0.00 C ATOM 0 H LEU A 6 -22.890 7.965 2.510 1.00 0.00 H new ATOM 0 HA LEU A 6 -21.143 6.754 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -23.213 8.012 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -22.465 9.495 0.680 1.00 0.00 H new ATOM 0 HG LEU A 6 -20.744 9.272 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -21.150 7.691 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -20.831 6.851 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -22.495 6.974 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -22.248 9.902 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -23.636 9.276 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -22.723 10.677 -1.431 1.00 0.00 H new ATOM 76 N GLU A 7 -20.007 9.512 2.088 1.00 0.00 N ATOM 77 CA GLU A 7 -18.808 10.314 2.284 1.00 0.00 C ATOM 78 C GLU A 7 -17.731 9.512 3.013 1.00 0.00 C ATOM 79 O GLU A 7 -16.548 9.585 2.669 1.00 0.00 O ATOM 80 CB GLU A 7 -19.143 11.583 3.072 1.00 0.00 C ATOM 81 CG GLU A 7 -18.003 12.589 3.120 1.00 0.00 C ATOM 82 CD GLU A 7 -17.702 13.197 1.762 1.00 0.00 C ATOM 83 OE1 GLU A 7 -17.231 12.471 0.863 1.00 0.00 O ATOM 84 OE2 GLU A 7 -17.937 14.411 1.587 1.00 0.00 O ATOM 0 H GLU A 7 -20.824 9.838 2.605 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.422 10.596 1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.017 12.058 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -19.416 11.307 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.255 13.384 3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.107 12.099 3.501 1.00 0.00 H new ATOM 91 N ALA A 8 -18.148 8.735 4.007 1.00 0.00 N ATOM 92 CA ALA A 8 -17.226 7.955 4.818 1.00 0.00 C ATOM 93 C ALA A 8 -16.476 6.932 3.979 1.00 0.00 C ATOM 94 O ALA A 8 -15.249 6.867 4.025 1.00 0.00 O ATOM 95 CB ALA A 8 -17.965 7.265 5.954 1.00 0.00 C ATOM 0 H ALA A 8 -19.128 8.630 4.270 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.495 8.644 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -17.259 6.687 6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -18.443 8.014 6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -18.724 6.599 5.543 1.00 0.00 H new ATOM 101 N VAL A 9 -17.212 6.140 3.204 1.00 0.00 N ATOM 102 CA VAL A 9 -16.596 5.096 2.393 1.00 0.00 C ATOM 103 C VAL A 9 -15.782 5.707 1.252 1.00 0.00 C ATOM 104 O VAL A 9 -14.734 5.176 0.868 1.00 0.00 O ATOM 105 CB VAL A 9 -17.644 4.099 1.836 1.00 0.00 C ATOM 106 CG1 VAL A 9 -18.620 4.781 0.887 1.00 0.00 C ATOM 107 CG2 VAL A 9 -16.964 2.922 1.149 1.00 0.00 C ATOM 0 H VAL A 9 -18.227 6.201 3.121 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.925 4.536 3.044 1.00 0.00 H new ATOM 0 HB VAL A 9 -18.215 3.721 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -19.339 4.050 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -19.148 5.574 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -18.072 5.208 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.721 2.237 0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.354 3.286 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -16.330 2.399 1.865 1.00 0.00 H new ATOM 117 N ARG A 10 -16.250 6.841 0.739 1.00 0.00 N ATOM 118 CA ARG A 10 -15.565 7.532 -0.340 1.00 0.00 C ATOM 119 C ARG A 10 -14.182 7.970 0.114 1.00 0.00 C ATOM 120 O ARG A 10 -13.172 7.585 -0.471 1.00 0.00 O ATOM 121 CB ARG A 10 -16.358 8.761 -0.784 1.00 0.00 C ATOM 122 CG ARG A 10 -15.896 9.330 -2.114 1.00 0.00 C ATOM 123 CD ARG A 10 -15.864 10.852 -2.103 1.00 0.00 C ATOM 124 NE ARG A 10 -17.098 11.439 -1.579 1.00 0.00 N ATOM 125 CZ ARG A 10 -18.187 11.670 -2.309 1.00 0.00 C ATOM 126 NH1 ARG A 10 -18.243 11.274 -3.577 1.00 0.00 N ATOM 127 NH2 ARG A 10 -19.225 12.288 -1.764 1.00 0.00 N ATOM 0 H ARG A 10 -17.104 7.299 1.057 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.475 6.843 -1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -17.413 8.496 -0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.276 9.533 -0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.902 8.948 -2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.562 8.987 -2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.021 11.189 -1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.696 11.215 -3.117 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.125 11.687 -0.590 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.449 10.790 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.080 11.454 -4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -19.187 12.585 -0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.061 12.467 -2.320 1.00 0.00 H new ATOM 141 N ARG A 11 -14.145 8.761 1.177 1.00 0.00 N ATOM 142 CA ARG A 11 -12.890 9.289 1.692 1.00 0.00 C ATOM 143 C ARG A 11 -12.032 8.166 2.265 1.00 0.00 C ATOM 144 O ARG A 11 -10.808 8.281 2.325 1.00 0.00 O ATOM 145 CB ARG A 11 -13.156 10.361 2.754 1.00 0.00 C ATOM 146 CG ARG A 11 -13.695 9.817 4.065 1.00 0.00 C ATOM 147 CD ARG A 11 -14.238 10.929 4.943 1.00 0.00 C ATOM 148 NE ARG A 11 -13.298 12.037 5.078 1.00 0.00 N ATOM 149 CZ ARG A 11 -13.599 13.211 5.626 1.00 0.00 C ATOM 150 NH1 ARG A 11 -14.812 13.432 6.129 1.00 0.00 N ATOM 151 NH2 ARG A 11 -12.680 14.166 5.663 1.00 0.00 N ATOM 0 H ARG A 11 -14.971 9.051 1.700 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.345 9.749 0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.229 10.900 2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.866 11.084 2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.484 9.092 3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.903 9.287 4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -15.173 11.298 4.521 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.469 10.529 5.930 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.349 11.902 4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.519 12.698 6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.034 14.335 6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.753 13.997 5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.900 15.070 6.081 1.00 0.00 H new ATOM 165 N LYS A 12 -12.682 7.077 2.671 1.00 0.00 N ATOM 166 CA LYS A 12 -11.986 5.907 3.185 1.00 0.00 C ATOM 167 C LYS A 12 -11.039 5.360 2.123 1.00 0.00 C ATOM 168 O LYS A 12 -9.825 5.311 2.325 1.00 0.00 O ATOM 169 CB LYS A 12 -12.989 4.822 3.587 1.00 0.00 C ATOM 170 CG LYS A 12 -12.410 3.731 4.472 1.00 0.00 C ATOM 171 CD LYS A 12 -12.275 4.191 5.915 1.00 0.00 C ATOM 172 CE LYS A 12 -13.635 4.484 6.533 1.00 0.00 C ATOM 173 NZ LYS A 12 -13.529 4.899 7.955 1.00 0.00 N ATOM 0 H LYS A 12 -13.698 6.984 2.652 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.414 6.201 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.824 5.291 4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.393 4.365 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.050 2.850 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.433 3.434 4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.767 3.423 6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.654 5.086 5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.129 5.271 5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.263 3.596 6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.479 5.088 8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.082 4.139 8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.952 5.761 8.023 1.00 0.00 H new ATOM 187 N ILE A 13 -11.598 4.980 0.976 1.00 0.00 N ATOM 188 CA ILE A 13 -10.799 4.411 -0.099 1.00 0.00 C ATOM 189 C ILE A 13 -9.876 5.459 -0.717 1.00 0.00 C ATOM 190 O ILE A 13 -8.791 5.131 -1.192 1.00 0.00 O ATOM 191 CB ILE A 13 -11.678 3.737 -1.189 1.00 0.00 C ATOM 192 CG1 ILE A 13 -12.731 4.697 -1.758 1.00 0.00 C ATOM 193 CG2 ILE A 13 -12.354 2.495 -0.625 1.00 0.00 C ATOM 194 CD1 ILE A 13 -12.252 5.514 -2.941 1.00 0.00 C ATOM 0 H ILE A 13 -12.594 5.056 0.771 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.181 3.631 0.346 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.018 3.452 -2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.606 4.121 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -13.052 5.376 -0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.967 2.032 -1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.595 1.788 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.985 2.775 0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.056 6.166 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -11.396 6.119 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.959 4.845 -3.750 1.00 0.00 H new ATOM 206 N ARG A 14 -10.302 6.719 -0.688 1.00 0.00 N ATOM 207 CA ARG A 14 -9.485 7.816 -1.194 1.00 0.00 C ATOM 208 C ARG A 14 -8.177 7.920 -0.415 1.00 0.00 C ATOM 209 O ARG A 14 -7.095 7.973 -1.002 1.00 0.00 O ATOM 210 CB ARG A 14 -10.246 9.144 -1.109 1.00 0.00 C ATOM 211 CG ARG A 14 -11.330 9.300 -2.164 1.00 0.00 C ATOM 212 CD ARG A 14 -10.737 9.411 -3.557 1.00 0.00 C ATOM 213 NE ARG A 14 -9.904 10.605 -3.700 1.00 0.00 N ATOM 214 CZ ARG A 14 -9.117 10.848 -4.746 1.00 0.00 C ATOM 215 NH1 ARG A 14 -9.093 10.009 -5.776 1.00 0.00 N ATOM 216 NH2 ARG A 14 -8.373 11.946 -4.769 1.00 0.00 N ATOM 0 H ARG A 14 -11.209 7.005 -0.319 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.257 7.607 -2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.699 9.230 -0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.536 9.965 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -12.006 8.446 -2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.924 10.188 -1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -10.140 8.524 -3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -11.541 9.438 -4.293 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.928 11.296 -2.950 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.679 9.174 -5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.488 10.200 -6.575 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.405 12.600 -3.987 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.769 12.136 -5.568 1.00 0.00 H new ATOM 230 N SER A 15 -8.289 7.939 0.907 1.00 0.00 N ATOM 231 CA SER A 15 -7.125 8.044 1.774 1.00 0.00 C ATOM 232 C SER A 15 -6.247 6.803 1.646 1.00 0.00 C ATOM 233 O SER A 15 -5.023 6.904 1.579 1.00 0.00 O ATOM 234 CB SER A 15 -7.571 8.232 3.226 1.00 0.00 C ATOM 235 OG SER A 15 -8.492 9.305 3.340 1.00 0.00 O ATOM 0 H SER A 15 -9.179 7.883 1.403 1.00 0.00 H new ATOM 0 HA SER A 15 -6.539 8.911 1.468 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.030 7.313 3.591 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.702 8.425 3.855 1.00 0.00 H new ATOM 0 HG SER A 15 -9.389 8.993 3.098 1.00 0.00 H new ATOM 241 N LEU A 16 -6.883 5.639 1.587 1.00 0.00 N ATOM 242 CA LEU A 16 -6.161 4.375 1.496 1.00 0.00 C ATOM 243 C LEU A 16 -5.334 4.292 0.215 1.00 0.00 C ATOM 244 O LEU A 16 -4.151 3.963 0.260 1.00 0.00 O ATOM 245 CB LEU A 16 -7.134 3.195 1.569 1.00 0.00 C ATOM 246 CG LEU A 16 -7.866 3.032 2.905 1.00 0.00 C ATOM 247 CD1 LEU A 16 -8.854 1.877 2.836 1.00 0.00 C ATOM 248 CD2 LEU A 16 -6.870 2.814 4.037 1.00 0.00 C ATOM 0 H LEU A 16 -7.898 5.544 1.601 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.477 4.327 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.876 3.308 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.583 2.278 1.361 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.421 3.948 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.364 1.777 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.587 2.072 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.320 0.954 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.408 2.700 4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.288 1.914 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.201 3.672 4.103 1.00 0.00 H new ATOM 260 N GLN A 17 -5.955 4.594 -0.919 1.00 0.00 N ATOM 261 CA GLN A 17 -5.271 4.508 -2.208 1.00 0.00 C ATOM 262 C GLN A 17 -4.125 5.508 -2.285 1.00 0.00 C ATOM 263 O GLN A 17 -3.018 5.160 -2.700 1.00 0.00 O ATOM 264 CB GLN A 17 -6.259 4.734 -3.354 1.00 0.00 C ATOM 265 CG GLN A 17 -7.304 3.634 -3.468 1.00 0.00 C ATOM 266 CD GLN A 17 -8.356 3.922 -4.520 1.00 0.00 C ATOM 267 OE1 GLN A 17 -8.091 4.586 -5.521 1.00 0.00 O ATOM 268 NE2 GLN A 17 -9.565 3.425 -4.301 1.00 0.00 N ATOM 0 H GLN A 17 -6.927 4.899 -0.975 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.852 3.506 -2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.761 5.690 -3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.708 4.802 -4.292 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.808 2.693 -3.706 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.791 3.502 -2.502 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.747 2.879 -3.459 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.313 3.589 -4.975 1.00 0.00 H new ATOM 277 N GLU A 18 -4.392 6.739 -1.863 1.00 0.00 N ATOM 278 CA GLU A 18 -3.369 7.778 -1.829 1.00 0.00 C ATOM 279 C GLU A 18 -2.208 7.359 -0.934 1.00 0.00 C ATOM 280 O GLU A 18 -1.049 7.398 -1.348 1.00 0.00 O ATOM 281 CB GLU A 18 -3.982 9.098 -1.342 1.00 0.00 C ATOM 282 CG GLU A 18 -2.974 10.191 -1.004 1.00 0.00 C ATOM 283 CD GLU A 18 -2.038 10.529 -2.147 1.00 0.00 C ATOM 284 OE1 GLU A 18 -2.522 10.835 -3.255 1.00 0.00 O ATOM 285 OE2 GLU A 18 -0.806 10.494 -1.936 1.00 0.00 O ATOM 0 H GLU A 18 -5.310 7.042 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.981 7.923 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.658 9.473 -2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.586 8.896 -0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.513 11.091 -0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.384 9.876 -0.144 1.00 0.00 H new ATOM 292 N GLN A 19 -2.528 6.925 0.281 1.00 0.00 N ATOM 293 CA GLN A 19 -1.508 6.551 1.250 1.00 0.00 C ATOM 294 C GLN A 19 -0.669 5.381 0.743 1.00 0.00 C ATOM 295 O GLN A 19 0.558 5.403 0.851 1.00 0.00 O ATOM 296 CB GLN A 19 -2.142 6.195 2.593 1.00 0.00 C ATOM 297 CG GLN A 19 -1.129 6.052 3.716 1.00 0.00 C ATOM 298 CD GLN A 19 -0.333 7.323 3.928 1.00 0.00 C ATOM 299 OE1 GLN A 19 0.776 7.454 3.214 1.00 0.00 O flip ATOM 300 NE2 GLN A 19 -0.712 8.186 4.722 1.00 0.00 N flip ATOM 0 H GLN A 19 -3.486 6.824 0.616 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.852 7.411 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.865 6.965 2.861 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.694 5.261 2.490 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.646 5.790 4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.448 5.232 3.488 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.572 8.048 5.253 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.166 9.038 4.848 1.00 0.00 H new ATOM 309 N ASN A 20 -1.334 4.375 0.182 1.00 0.00 N ATOM 310 CA ASN A 20 -0.649 3.192 -0.336 1.00 0.00 C ATOM 311 C ASN A 20 0.347 3.562 -1.424 1.00 0.00 C ATOM 312 O ASN A 20 1.514 3.184 -1.356 1.00 0.00 O ATOM 313 CB ASN A 20 -1.651 2.170 -0.891 1.00 0.00 C ATOM 314 CG ASN A 20 -2.121 1.173 0.153 1.00 0.00 C ATOM 315 OD1 ASN A 20 -1.516 0.119 0.335 1.00 0.00 O ATOM 316 ND2 ASN A 20 -3.203 1.493 0.846 1.00 0.00 N ATOM 0 H ASN A 20 -2.348 4.354 0.074 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.110 2.745 0.499 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.514 2.698 -1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.191 1.631 -1.719 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.560 0.856 1.558 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.680 2.377 0.668 1.00 0.00 H new ATOM 323 N TYR A 21 -0.113 4.313 -2.415 1.00 0.00 N ATOM 324 CA TYR A 21 0.726 4.681 -3.548 1.00 0.00 C ATOM 325 C TYR A 21 1.860 5.605 -3.103 1.00 0.00 C ATOM 326 O TYR A 21 2.998 5.485 -3.564 1.00 0.00 O ATOM 327 CB TYR A 21 -0.122 5.355 -4.627 1.00 0.00 C ATOM 328 CG TYR A 21 0.594 5.518 -5.947 1.00 0.00 C ATOM 329 CD1 TYR A 21 0.702 4.452 -6.835 1.00 0.00 C ATOM 330 CD2 TYR A 21 1.158 6.733 -6.309 1.00 0.00 C ATOM 331 CE1 TYR A 21 1.355 4.594 -8.042 1.00 0.00 C ATOM 332 CE2 TYR A 21 1.811 6.882 -7.517 1.00 0.00 C ATOM 333 CZ TYR A 21 1.905 5.809 -8.380 1.00 0.00 C ATOM 334 OH TYR A 21 2.558 5.953 -9.583 1.00 0.00 O ATOM 0 H TYR A 21 -1.064 4.680 -2.458 1.00 0.00 H new ATOM 0 HA TYR A 21 1.170 3.776 -3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.027 4.769 -4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.436 6.336 -4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.268 3.498 -6.575 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.085 7.575 -5.636 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.434 3.756 -8.718 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.246 7.834 -7.785 1.00 0.00 H new ATOM 0 HH TYR A 21 2.887 6.872 -9.669 1.00 0.00 H new ATOM 344 N HIS A 22 1.540 6.514 -2.191 1.00 0.00 N ATOM 345 CA HIS A 22 2.519 7.455 -1.660 1.00 0.00 C ATOM 346 C HIS A 22 3.634 6.699 -0.942 1.00 0.00 C ATOM 347 O HIS A 22 4.823 6.927 -1.189 1.00 0.00 O ATOM 348 CB HIS A 22 1.837 8.428 -0.696 1.00 0.00 C ATOM 349 CG HIS A 22 2.405 9.814 -0.720 1.00 0.00 C ATOM 350 ND1 HIS A 22 1.738 10.881 -1.281 1.00 0.00 N ATOM 351 CD2 HIS A 22 3.567 10.315 -0.237 1.00 0.00 C ATOM 352 CE1 HIS A 22 2.464 11.975 -1.146 1.00 0.00 C ATOM 353 NE2 HIS A 22 3.575 11.658 -0.516 1.00 0.00 N ATOM 0 H HIS A 22 0.603 6.620 -1.801 1.00 0.00 H new ATOM 0 HA HIS A 22 2.952 8.021 -2.485 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.775 8.478 -0.938 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.915 8.033 0.317 1.00 0.00 H new ATOM 0 HD1 HIS A 22 0.824 10.833 -1.731 1.00 0.00 H new ATOM 0 HD2 HIS A 22 4.342 9.761 0.272 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.193 12.961 -1.493 1.00 0.00 H new ATOM 362 N LEU A 23 3.241 5.778 -0.068 1.00 0.00 N ATOM 363 CA LEU A 23 4.197 4.970 0.676 1.00 0.00 C ATOM 364 C LEU A 23 4.950 4.036 -0.261 1.00 0.00 C ATOM 365 O LEU A 23 6.134 3.783 -0.065 1.00 0.00 O ATOM 366 CB LEU A 23 3.496 4.161 1.769 1.00 0.00 C ATOM 367 CG LEU A 23 2.899 4.985 2.909 1.00 0.00 C ATOM 368 CD1 LEU A 23 2.196 4.080 3.910 1.00 0.00 C ATOM 369 CD2 LEU A 23 3.979 5.807 3.594 1.00 0.00 C ATOM 0 H LEU A 23 2.264 5.573 0.142 1.00 0.00 H new ATOM 0 HA LEU A 23 4.910 5.645 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.700 3.575 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.211 3.453 2.189 1.00 0.00 H new ATOM 0 HG LEU A 23 2.161 5.670 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.777 4.684 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.395 3.537 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.912 3.370 4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.536 6.388 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.741 5.141 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.436 6.483 2.871 1.00 0.00 H new ATOM 381 N GLU A 24 4.257 3.533 -1.280 1.00 0.00 N ATOM 382 CA GLU A 24 4.874 2.667 -2.280 1.00 0.00 C ATOM 383 C GLU A 24 6.111 3.330 -2.870 1.00 0.00 C ATOM 384 O GLU A 24 7.190 2.738 -2.904 1.00 0.00 O ATOM 385 CB GLU A 24 3.893 2.359 -3.411 1.00 0.00 C ATOM 386 CG GLU A 24 4.499 1.512 -4.517 1.00 0.00 C ATOM 387 CD GLU A 24 3.786 1.678 -5.840 1.00 0.00 C ATOM 388 OE1 GLU A 24 4.138 2.614 -6.593 1.00 0.00 O ATOM 389 OE2 GLU A 24 2.893 0.865 -6.147 1.00 0.00 O ATOM 0 H GLU A 24 3.265 3.711 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 24 5.157 1.739 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.026 1.842 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.533 3.296 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.549 1.779 -4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.469 0.463 -4.223 1.00 0.00 H new ATOM 396 N ASN A 25 5.947 4.563 -3.333 1.00 0.00 N ATOM 397 CA ASN A 25 7.040 5.291 -3.965 1.00 0.00 C ATOM 398 C ASN A 25 8.137 5.600 -2.946 1.00 0.00 C ATOM 399 O ASN A 25 9.325 5.508 -3.258 1.00 0.00 O ATOM 400 CB ASN A 25 6.523 6.582 -4.609 1.00 0.00 C ATOM 401 CG ASN A 25 7.451 7.116 -5.691 1.00 0.00 C ATOM 402 OD1 ASN A 25 8.669 6.961 -5.622 1.00 0.00 O ATOM 403 ND2 ASN A 25 6.875 7.732 -6.714 1.00 0.00 N ATOM 0 H ASN A 25 5.069 5.079 -3.283 1.00 0.00 H new ATOM 0 HA ASN A 25 7.466 4.663 -4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.539 6.399 -5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.397 7.342 -3.838 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.446 8.095 -7.477 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.861 7.842 -6.738 1.00 0.00 H new ATOM 410 N GLU A 26 7.739 5.942 -1.724 1.00 0.00 N ATOM 411 CA GLU A 26 8.701 6.248 -0.668 1.00 0.00 C ATOM 412 C GLU A 26 9.509 5.007 -0.276 1.00 0.00 C ATOM 413 O GLU A 26 10.733 5.069 -0.149 1.00 0.00 O ATOM 414 CB GLU A 26 7.991 6.835 0.554 1.00 0.00 C ATOM 415 CG GLU A 26 8.945 7.258 1.659 1.00 0.00 C ATOM 416 CD GLU A 26 8.262 8.060 2.744 1.00 0.00 C ATOM 417 OE1 GLU A 26 8.195 9.298 2.615 1.00 0.00 O ATOM 418 OE2 GLU A 26 7.796 7.462 3.739 1.00 0.00 O ATOM 0 H GLU A 26 6.762 6.014 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 26 9.397 6.992 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.401 7.697 0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.293 6.097 0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.400 6.371 2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.753 7.850 1.229 1.00 0.00 H new ATOM 425 N VAL A 27 8.828 3.881 -0.100 1.00 0.00 N ATOM 426 CA VAL A 27 9.502 2.629 0.226 1.00 0.00 C ATOM 427 C VAL A 27 10.409 2.199 -0.924 1.00 0.00 C ATOM 428 O VAL A 27 11.518 1.710 -0.704 1.00 0.00 O ATOM 429 CB VAL A 27 8.494 1.502 0.558 1.00 0.00 C ATOM 430 CG1 VAL A 27 9.205 0.173 0.767 1.00 0.00 C ATOM 431 CG2 VAL A 27 7.683 1.866 1.794 1.00 0.00 C ATOM 0 H VAL A 27 7.814 3.808 -0.177 1.00 0.00 H new ATOM 0 HA VAL A 27 10.107 2.806 1.115 1.00 0.00 H new ATOM 0 HB VAL A 27 7.818 1.394 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.472 -0.599 0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.743 -0.098 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.910 0.264 1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.978 1.065 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.354 2.004 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.135 2.790 1.611 1.00 0.00 H new ATOM 441 N ALA A 28 9.940 2.403 -2.150 1.00 0.00 N ATOM 442 CA ALA A 28 10.738 2.098 -3.333 1.00 0.00 C ATOM 443 C ALA A 28 11.984 2.979 -3.382 1.00 0.00 C ATOM 444 O ALA A 28 13.056 2.535 -3.794 1.00 0.00 O ATOM 445 CB ALA A 28 9.913 2.271 -4.596 1.00 0.00 C ATOM 0 H ALA A 28 9.013 2.778 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 28 11.055 1.057 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.527 2.039 -5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.056 1.598 -4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.563 3.301 -4.664 1.00 0.00 H new ATOM 451 N ARG A 29 11.835 4.224 -2.949 1.00 0.00 N ATOM 452 CA ARG A 29 12.957 5.144 -2.862 1.00 0.00 C ATOM 453 C ARG A 29 13.982 4.617 -1.863 1.00 0.00 C ATOM 454 O ARG A 29 15.187 4.653 -2.111 1.00 0.00 O ATOM 455 CB ARG A 29 12.479 6.531 -2.423 1.00 0.00 C ATOM 456 CG ARG A 29 12.921 7.655 -3.347 1.00 0.00 C ATOM 457 CD ARG A 29 11.899 7.941 -4.446 1.00 0.00 C ATOM 458 NE ARG A 29 11.574 6.757 -5.248 1.00 0.00 N ATOM 459 CZ ARG A 29 12.220 6.408 -6.366 1.00 0.00 C ATOM 460 NH1 ARG A 29 13.260 7.117 -6.789 1.00 0.00 N ATOM 461 NH2 ARG A 29 11.822 5.347 -7.063 1.00 0.00 N ATOM 0 H ARG A 29 10.943 4.620 -2.652 1.00 0.00 H new ATOM 0 HA ARG A 29 13.417 5.225 -3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.391 6.528 -2.365 1.00 0.00 H new ATOM 0 HB3 ARG A 29 12.851 6.732 -1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.084 8.560 -2.762 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.876 7.393 -3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.986 8.329 -3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.287 8.721 -5.101 1.00 0.00 H new ATOM 0 HE ARG A 29 10.807 6.162 -4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.570 7.932 -6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.749 6.846 -7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.023 4.798 -6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.316 5.082 -7.915 1.00 0.00 H new ATOM 475 N LEU A 30 13.479 4.108 -0.742 1.00 0.00 N ATOM 476 CA LEU A 30 14.322 3.583 0.325 1.00 0.00 C ATOM 477 C LEU A 30 15.134 2.376 -0.144 1.00 0.00 C ATOM 478 O LEU A 30 16.354 2.340 0.025 1.00 0.00 O ATOM 479 CB LEU A 30 13.456 3.196 1.526 1.00 0.00 C ATOM 480 CG LEU A 30 14.213 2.645 2.737 1.00 0.00 C ATOM 481 CD1 LEU A 30 15.157 3.692 3.304 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.234 2.172 3.804 1.00 0.00 C ATOM 0 H LEU A 30 12.479 4.048 -0.549 1.00 0.00 H new ATOM 0 HA LEU A 30 15.024 4.364 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.891 4.073 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.731 2.449 1.203 1.00 0.00 H new ATOM 0 HG LEU A 30 14.809 1.792 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.684 3.279 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.879 3.983 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.586 4.567 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.787 1.783 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.613 3.008 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.600 1.386 3.394 1.00 0.00 H new ATOM 494 N LYS A 31 14.460 1.394 -0.739 1.00 0.00 N ATOM 495 CA LYS A 31 15.133 0.172 -1.182 1.00 0.00 C ATOM 496 C LYS A 31 16.106 0.465 -2.323 1.00 0.00 C ATOM 497 O LYS A 31 17.146 -0.185 -2.450 1.00 0.00 O ATOM 498 CB LYS A 31 14.114 -0.921 -1.567 1.00 0.00 C ATOM 499 CG LYS A 31 13.050 -0.502 -2.575 1.00 0.00 C ATOM 500 CD LYS A 31 13.554 -0.555 -4.011 1.00 0.00 C ATOM 501 CE LYS A 31 13.827 -1.981 -4.459 1.00 0.00 C ATOM 502 NZ LYS A 31 14.411 -2.031 -5.828 1.00 0.00 N ATOM 0 H LYS A 31 13.457 1.418 -0.925 1.00 0.00 H new ATOM 0 HA LYS A 31 15.716 -0.212 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.658 -1.774 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.615 -1.264 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.182 -1.153 -2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.717 0.511 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.816 -0.101 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.466 0.035 -4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.509 -2.458 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.899 -2.552 -4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.582 -3.021 -6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.749 -1.599 -6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.310 -1.508 -5.841 1.00 0.00 H new ATOM 516 N LYS A 32 15.787 1.461 -3.137 1.00 0.00 N ATOM 517 CA LYS A 32 16.672 1.843 -4.221 1.00 0.00 C ATOM 518 C LYS A 32 17.910 2.524 -3.657 1.00 0.00 C ATOM 519 O LYS A 32 19.025 2.250 -4.086 1.00 0.00 O ATOM 520 CB LYS A 32 15.964 2.769 -5.213 1.00 0.00 C ATOM 521 CG LYS A 32 16.725 2.935 -6.519 1.00 0.00 C ATOM 522 CD LYS A 32 16.832 1.608 -7.256 1.00 0.00 C ATOM 523 CE LYS A 32 17.727 1.706 -8.479 1.00 0.00 C ATOM 524 NZ LYS A 32 17.245 2.720 -9.452 1.00 0.00 N ATOM 0 H LYS A 32 14.931 2.012 -3.067 1.00 0.00 H new ATOM 0 HA LYS A 32 16.968 0.942 -4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.971 2.373 -5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.826 3.747 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.219 3.666 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.723 3.325 -6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 32 17.224 0.849 -6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.838 1.281 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.740 1.959 -8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.778 0.733 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.827 2.680 -10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.253 2.524 -9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.317 3.668 -9.030 1.00 0.00 H new ATOM 538 N LEU A 33 17.702 3.388 -2.668 1.00 0.00 N ATOM 539 CA LEU A 33 18.793 4.124 -2.037 1.00 0.00 C ATOM 540 C LEU A 33 19.789 3.172 -1.379 1.00 0.00 C ATOM 541 O LEU A 33 21.001 3.307 -1.556 1.00 0.00 O ATOM 542 CB LEU A 33 18.236 5.105 -1.001 1.00 0.00 C ATOM 543 CG LEU A 33 19.274 6.001 -0.323 1.00 0.00 C ATOM 544 CD1 LEU A 33 19.965 6.892 -1.347 1.00 0.00 C ATOM 545 CD2 LEU A 33 18.616 6.841 0.759 1.00 0.00 C ATOM 0 H LEU A 33 16.780 3.597 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 33 19.319 4.683 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.495 5.740 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.713 4.537 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 33 20.030 5.367 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 33 20.700 7.522 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 33 20.466 6.272 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.224 7.521 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 33 19.365 7.474 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.842 7.466 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.168 6.186 1.506 1.00 0.00 H new ATOM 557 N VAL A 34 19.274 2.199 -0.634 1.00 0.00 N ATOM 558 CA VAL A 34 20.133 1.224 0.033 1.00 0.00 C ATOM 559 C VAL A 34 20.783 0.288 -0.989 1.00 0.00 C ATOM 560 O VAL A 34 21.871 -0.243 -0.763 1.00 0.00 O ATOM 561 CB VAL A 34 19.360 0.403 1.100 1.00 0.00 C ATOM 562 CG1 VAL A 34 18.270 -0.451 0.470 1.00 0.00 C ATOM 563 CG2 VAL A 34 20.314 -0.461 1.912 1.00 0.00 C ATOM 0 H VAL A 34 18.275 2.064 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 34 20.914 1.782 0.549 1.00 0.00 H new ATOM 0 HB VAL A 34 18.877 1.113 1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.751 -1.011 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.559 0.191 -0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.717 -1.146 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 34 19.750 -1.027 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 34 20.835 -1.151 1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 34 21.041 0.175 2.417 1.00 0.00 H new ATOM 573 N GLY A 35 20.112 0.095 -2.119 1.00 0.00 N ATOM 574 CA GLY A 35 20.683 -0.693 -3.192 1.00 0.00 C ATOM 575 C GLY A 35 21.754 0.065 -3.955 1.00 0.00 C ATOM 576 O GLY A 35 22.585 -0.537 -4.637 1.00 0.00 O ATOM 0 H GLY A 35 19.183 0.471 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.111 -1.607 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.893 -0.993 -3.880 1.00 0.00 H new ATOM 580 N GLU A 36 21.738 1.384 -3.832 1.00 0.00 N ATOM 581 CA GLU A 36 22.660 2.241 -4.567 1.00 0.00 C ATOM 582 C GLU A 36 23.794 2.750 -3.679 1.00 0.00 C ATOM 583 O GLU A 36 24.362 3.810 -3.944 1.00 0.00 O ATOM 584 CB GLU A 36 21.908 3.435 -5.163 1.00 0.00 C ATOM 585 CG GLU A 36 20.953 3.063 -6.284 1.00 0.00 C ATOM 586 CD GLU A 36 21.662 2.457 -7.476 1.00 0.00 C ATOM 587 OE1 GLU A 36 22.458 3.170 -8.123 1.00 0.00 O ATOM 588 OE2 GLU A 36 21.412 1.270 -7.777 1.00 0.00 O ATOM 0 H GLU A 36 21.092 1.888 -3.225 1.00 0.00 H new ATOM 0 HA GLU A 36 23.097 1.640 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 36 21.347 3.931 -4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 36 22.633 4.157 -5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 36 20.214 2.356 -5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 36 20.409 3.952 -6.603 1.00 0.00 H new ATOM 595 N ARG A 37 24.133 2.008 -2.633 1.00 0.00 N ATOM 596 CA ARG A 37 25.256 2.388 -1.787 1.00 0.00 C ATOM 597 C ARG A 37 26.536 1.730 -2.295 1.00 0.00 C ATOM 598 O ARG A 37 27.245 2.362 -3.104 1.00 0.00 O ATOM 599 CB ARG A 37 25.008 2.014 -0.318 1.00 0.00 C ATOM 600 CG ARG A 37 26.131 2.465 0.606 1.00 0.00 C ATOM 601 CD ARG A 37 25.836 2.154 2.066 1.00 0.00 C ATOM 602 NE ARG A 37 24.659 2.869 2.560 1.00 0.00 N ATOM 603 CZ ARG A 37 24.699 4.070 3.143 1.00 0.00 C ATOM 604 NH1 ARG A 37 25.858 4.700 3.316 1.00 0.00 N ATOM 605 NH2 ARG A 37 23.576 4.633 3.566 1.00 0.00 N ATOM 606 OXT ARG A 37 26.816 0.578 -1.902 1.00 0.00 O ATOM 0 H ARG A 37 23.655 1.152 -2.353 1.00 0.00 H new ATOM 0 HA ARG A 37 25.365 3.471 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 37 24.071 2.462 0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 37 24.891 0.933 -0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 37 27.059 1.975 0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 37 26.286 3.538 0.489 1.00 0.00 H new ATOM 0 HD2 ARG A 37 25.682 1.081 2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 37 26.701 2.420 2.674 1.00 0.00 H new ATOM 0 HE ARG A 37 23.749 2.421 2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 37 26.726 4.266 3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 37 25.878 5.617 3.762 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.686 4.149 3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.602 5.550 4.012 1.00 0.00 H new TER 620 ARG A 37 ATOM 621 N GLY B 0 -24.594 -8.024 -15.960 1.00 0.00 N ATOM 622 CA GLY B 0 -23.405 -8.399 -15.162 1.00 0.00 C ATOM 623 C GLY B 0 -23.642 -8.233 -13.677 1.00 0.00 C ATOM 624 O GLY B 0 -23.219 -7.242 -13.083 1.00 0.00 O ATOM 0 H1 GLY B 0 -24.388 -8.153 -16.971 1.00 0.00 H new ATOM 0 H2 GLY B 0 -25.397 -8.627 -15.691 1.00 0.00 H new ATOM 0 H3 GLY B 0 -24.833 -7.028 -15.780 1.00 0.00 H new ATOM 0 HA2 GLY B 0 -23.139 -9.435 -15.373 1.00 0.00 H new ATOM 0 HA3 GLY B 0 -22.557 -7.784 -15.464 1.00 0.00 H new ATOM 627 N ALA B 1 -24.333 -9.192 -13.083 1.00 0.00 N ATOM 628 CA ALA B 1 -24.627 -9.153 -11.660 1.00 0.00 C ATOM 629 C ALA B 1 -24.439 -10.530 -11.048 1.00 0.00 C ATOM 630 O ALA B 1 -24.381 -11.533 -11.764 1.00 0.00 O ATOM 631 CB ALA B 1 -26.044 -8.650 -11.426 1.00 0.00 C ATOM 0 H ALA B 1 -24.702 -10.011 -13.567 1.00 0.00 H new ATOM 0 HA ALA B 1 -23.935 -8.463 -11.177 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -26.250 -8.626 -10.356 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -26.146 -7.646 -11.837 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -26.753 -9.317 -11.917 1.00 0.00 H new ATOM 637 N GLY B 2 -24.352 -10.578 -9.730 1.00 0.00 N ATOM 638 CA GLY B 2 -24.130 -11.836 -9.051 1.00 0.00 C ATOM 639 C GLY B 2 -22.828 -11.837 -8.284 1.00 0.00 C ATOM 640 O GLY B 2 -21.965 -12.686 -8.514 1.00 0.00 O ATOM 0 H GLY B 2 -24.431 -9.767 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY B 2 -24.956 -12.030 -8.366 1.00 0.00 H new ATOM 0 HA3 GLY B 2 -24.123 -12.646 -9.780 1.00 0.00 H new ATOM 644 N SER B 3 -22.689 -10.860 -7.389 1.00 0.00 N ATOM 645 CA SER B 3 -21.506 -10.717 -6.544 1.00 0.00 C ATOM 646 C SER B 3 -20.279 -10.338 -7.373 1.00 0.00 C ATOM 647 O SER B 3 -19.140 -10.554 -6.955 1.00 0.00 O ATOM 648 CB SER B 3 -21.250 -12.001 -5.744 1.00 0.00 C ATOM 649 OG SER B 3 -22.375 -12.332 -4.942 1.00 0.00 O ATOM 0 H SER B 3 -23.397 -10.143 -7.230 1.00 0.00 H new ATOM 0 HA SER B 3 -21.694 -9.908 -5.838 1.00 0.00 H new ATOM 0 HB2 SER B 3 -21.031 -12.822 -6.427 1.00 0.00 H new ATOM 0 HB3 SER B 3 -20.373 -11.871 -5.111 1.00 0.00 H new ATOM 0 HG SER B 3 -22.190 -13.155 -4.442 1.00 0.00 H new ATOM 655 N SER B 4 -20.527 -9.739 -8.532 1.00 0.00 N ATOM 656 CA SER B 4 -19.474 -9.296 -9.414 1.00 0.00 C ATOM 657 C SER B 4 -18.715 -8.159 -8.758 1.00 0.00 C ATOM 658 O SER B 4 -17.521 -8.263 -8.523 1.00 0.00 O ATOM 659 CB SER B 4 -20.076 -8.845 -10.745 1.00 0.00 C ATOM 660 OG SER B 4 -20.944 -9.838 -11.266 1.00 0.00 O ATOM 0 H SER B 4 -21.467 -9.550 -8.880 1.00 0.00 H new ATOM 0 HA SER B 4 -18.782 -10.116 -9.606 1.00 0.00 H new ATOM 0 HB2 SER B 4 -20.624 -7.913 -10.605 1.00 0.00 H new ATOM 0 HB3 SER B 4 -19.279 -8.641 -11.460 1.00 0.00 H new ATOM 0 HG SER B 4 -21.320 -9.530 -12.117 1.00 0.00 H new ATOM 666 N SER B 5 -19.439 -7.103 -8.413 1.00 0.00 N ATOM 667 CA SER B 5 -18.858 -5.941 -7.791 1.00 0.00 C ATOM 668 C SER B 5 -18.346 -6.308 -6.416 1.00 0.00 C ATOM 669 O SER B 5 -17.331 -5.802 -5.988 1.00 0.00 O ATOM 670 CB SER B 5 -19.905 -4.832 -7.691 1.00 0.00 C ATOM 671 OG SER B 5 -20.646 -4.734 -8.897 1.00 0.00 O ATOM 0 H SER B 5 -20.446 -7.037 -8.560 1.00 0.00 H new ATOM 0 HA SER B 5 -18.025 -5.581 -8.394 1.00 0.00 H new ATOM 0 HB2 SER B 5 -20.579 -5.035 -6.859 1.00 0.00 H new ATOM 0 HB3 SER B 5 -19.416 -3.881 -7.480 1.00 0.00 H new ATOM 0 HG SER B 5 -21.313 -4.020 -8.814 1.00 0.00 H new ATOM 677 N LEU B 6 -19.043 -7.233 -5.757 1.00 0.00 N ATOM 678 CA LEU B 6 -18.698 -7.659 -4.414 1.00 0.00 C ATOM 679 C LEU B 6 -17.272 -8.172 -4.367 1.00 0.00 C ATOM 680 O LEU B 6 -16.430 -7.570 -3.725 1.00 0.00 O ATOM 681 CB LEU B 6 -19.652 -8.754 -3.931 1.00 0.00 C ATOM 682 CG LEU B 6 -19.346 -9.313 -2.540 1.00 0.00 C ATOM 683 CD1 LEU B 6 -19.606 -8.263 -1.468 1.00 0.00 C ATOM 684 CD2 LEU B 6 -20.168 -10.564 -2.278 1.00 0.00 C ATOM 0 H LEU B 6 -19.861 -7.704 -6.144 1.00 0.00 H new ATOM 0 HA LEU B 6 -18.788 -6.795 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -20.667 -8.356 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -19.632 -9.575 -4.648 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.290 -9.581 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -19.382 -8.682 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -18.970 -7.396 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -20.652 -7.959 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.938 -10.949 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -21.229 -10.321 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -19.927 -11.321 -3.025 1.00 0.00 H new ATOM 696 N GLU B 7 -17.010 -9.262 -5.084 1.00 0.00 N ATOM 697 CA GLU B 7 -15.714 -9.907 -5.071 1.00 0.00 C ATOM 698 C GLU B 7 -14.629 -8.937 -5.478 1.00 0.00 C ATOM 699 O GLU B 7 -13.581 -8.913 -4.864 1.00 0.00 O ATOM 700 CB GLU B 7 -15.720 -11.123 -5.994 1.00 0.00 C ATOM 701 CG GLU B 7 -16.613 -12.247 -5.497 1.00 0.00 C ATOM 702 CD GLU B 7 -16.081 -12.895 -4.234 1.00 0.00 C ATOM 703 OE1 GLU B 7 -16.116 -12.257 -3.161 1.00 0.00 O ATOM 704 OE2 GLU B 7 -15.629 -14.057 -4.307 1.00 0.00 O ATOM 0 H GLU B 7 -17.694 -9.717 -5.688 1.00 0.00 H new ATOM 0 HA GLU B 7 -15.505 -10.242 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -16.051 -10.816 -6.986 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -14.701 -11.496 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -17.613 -11.856 -5.308 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -16.709 -13.003 -6.277 1.00 0.00 H new ATOM 711 N ALA B 8 -14.907 -8.119 -6.488 1.00 0.00 N ATOM 712 CA ALA B 8 -13.958 -7.135 -6.970 1.00 0.00 C ATOM 713 C ALA B 8 -13.530 -6.212 -5.841 1.00 0.00 C ATOM 714 O ALA B 8 -12.359 -6.151 -5.513 1.00 0.00 O ATOM 715 CB ALA B 8 -14.561 -6.336 -8.118 1.00 0.00 C ATOM 0 H ALA B 8 -15.795 -8.123 -6.991 1.00 0.00 H new ATOM 0 HA ALA B 8 -13.075 -7.656 -7.340 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -13.837 -5.601 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -14.819 -7.010 -8.934 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -15.459 -5.824 -7.773 1.00 0.00 H new ATOM 721 N VAL B 9 -14.495 -5.542 -5.224 1.00 0.00 N ATOM 722 CA VAL B 9 -14.214 -4.590 -4.171 1.00 0.00 C ATOM 723 C VAL B 9 -13.650 -5.299 -2.955 1.00 0.00 C ATOM 724 O VAL B 9 -12.703 -4.829 -2.363 1.00 0.00 O ATOM 725 CB VAL B 9 -15.478 -3.799 -3.770 1.00 0.00 C ATOM 726 CG1 VAL B 9 -15.178 -2.820 -2.645 1.00 0.00 C ATOM 727 CG2 VAL B 9 -16.053 -3.063 -4.973 1.00 0.00 C ATOM 0 H VAL B 9 -15.486 -5.646 -5.441 1.00 0.00 H new ATOM 0 HA VAL B 9 -13.477 -3.885 -4.555 1.00 0.00 H new ATOM 0 HB VAL B 9 -16.219 -4.513 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -16.086 -2.277 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -14.818 -3.367 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -14.414 -2.114 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -16.943 -2.511 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -15.310 -2.367 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -16.318 -3.783 -5.747 1.00 0.00 H new ATOM 737 N ARG B 10 -14.219 -6.452 -2.623 1.00 0.00 N ATOM 738 CA ARG B 10 -13.824 -7.209 -1.450 1.00 0.00 C ATOM 739 C ARG B 10 -12.350 -7.561 -1.533 1.00 0.00 C ATOM 740 O ARG B 10 -11.604 -7.307 -0.608 1.00 0.00 O ATOM 741 CB ARG B 10 -14.663 -8.483 -1.337 1.00 0.00 C ATOM 742 CG ARG B 10 -14.824 -8.992 0.085 1.00 0.00 C ATOM 743 CD ARG B 10 -15.569 -7.983 0.944 1.00 0.00 C ATOM 744 NE ARG B 10 -15.951 -8.530 2.243 1.00 0.00 N ATOM 745 CZ ARG B 10 -16.665 -7.866 3.148 1.00 0.00 C ATOM 746 NH1 ARG B 10 -17.032 -6.609 2.922 1.00 0.00 N ATOM 747 NH2 ARG B 10 -17.007 -8.455 4.283 1.00 0.00 N ATOM 0 H ARG B 10 -14.968 -6.886 -3.163 1.00 0.00 H new ATOM 0 HA ARG B 10 -13.993 -6.599 -0.563 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -15.650 -8.294 -1.758 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -14.202 -9.264 -1.942 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -15.365 -9.938 0.077 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -13.843 -9.189 0.518 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -14.942 -7.104 1.093 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -16.463 -7.651 0.416 1.00 0.00 H new ATOM 0 HE ARG B 10 -15.652 -9.478 2.470 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -16.766 -6.149 2.051 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -17.579 -6.104 3.619 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -16.723 -9.418 4.464 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -17.554 -7.946 4.977 1.00 0.00 H new ATOM 761 N ARG B 11 -11.939 -8.106 -2.671 1.00 0.00 N ATOM 762 CA ARG B 11 -10.566 -8.489 -2.891 1.00 0.00 C ATOM 763 C ARG B 11 -9.689 -7.252 -2.860 1.00 0.00 C ATOM 764 O ARG B 11 -8.622 -7.262 -2.271 1.00 0.00 O ATOM 765 CB ARG B 11 -10.442 -9.198 -4.240 1.00 0.00 C ATOM 766 CG ARG B 11 -9.129 -9.937 -4.447 1.00 0.00 C ATOM 767 CD ARG B 11 -9.119 -10.653 -5.788 1.00 0.00 C ATOM 768 NE ARG B 11 -10.348 -11.420 -5.994 1.00 0.00 N ATOM 769 CZ ARG B 11 -10.911 -11.635 -7.183 1.00 0.00 C ATOM 770 NH1 ARG B 11 -10.297 -11.261 -8.300 1.00 0.00 N ATOM 771 NH2 ARG B 11 -12.078 -12.261 -7.248 1.00 0.00 N ATOM 0 H ARG B 11 -12.555 -8.292 -3.463 1.00 0.00 H new ATOM 0 HA ARG B 11 -10.242 -9.172 -2.106 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -11.263 -9.908 -4.340 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -10.559 -8.462 -5.035 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.298 -9.233 -4.399 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -8.982 -10.658 -3.643 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -9.005 -9.924 -6.590 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -8.259 -11.321 -5.839 1.00 0.00 H new ATOM 0 HE ARG B 11 -10.805 -11.817 -5.173 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -9.386 -10.805 -8.253 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -10.737 -11.430 -9.205 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -12.537 -12.574 -6.393 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -12.516 -12.430 -8.153 1.00 0.00 H new ATOM 785 N LYS B 12 -10.195 -6.180 -3.452 1.00 0.00 N ATOM 786 CA LYS B 12 -9.474 -4.935 -3.587 1.00 0.00 C ATOM 787 C LYS B 12 -9.158 -4.345 -2.223 1.00 0.00 C ATOM 788 O LYS B 12 -8.009 -4.060 -1.936 1.00 0.00 O ATOM 789 CB LYS B 12 -10.311 -3.963 -4.419 1.00 0.00 C ATOM 790 CG LYS B 12 -9.507 -2.915 -5.163 1.00 0.00 C ATOM 791 CD LYS B 12 -10.371 -2.226 -6.204 1.00 0.00 C ATOM 792 CE LYS B 12 -9.570 -1.295 -7.095 1.00 0.00 C ATOM 793 NZ LYS B 12 -10.390 -0.799 -8.233 1.00 0.00 N ATOM 0 H LYS B 12 -11.131 -6.156 -3.856 1.00 0.00 H new ATOM 0 HA LYS B 12 -8.526 -5.119 -4.092 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -10.896 -4.533 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -11.020 -3.459 -3.761 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.118 -2.179 -4.460 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -8.648 -3.381 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -10.864 -2.979 -6.819 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -11.156 -1.659 -5.703 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -9.208 -0.450 -6.509 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -8.693 -1.818 -7.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -9.816 -0.165 -8.824 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -10.715 -1.605 -8.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -11.213 -0.280 -7.867 1.00 0.00 H new ATOM 807 N ILE B 13 -10.174 -4.206 -1.369 1.00 0.00 N ATOM 808 CA ILE B 13 -9.998 -3.595 -0.070 1.00 0.00 C ATOM 809 C ILE B 13 -9.152 -4.480 0.822 1.00 0.00 C ATOM 810 O ILE B 13 -8.461 -3.981 1.684 1.00 0.00 O ATOM 811 CB ILE B 13 -11.350 -3.249 0.615 1.00 0.00 C ATOM 812 CG1 ILE B 13 -12.262 -4.477 0.758 1.00 0.00 C ATOM 813 CG2 ILE B 13 -12.062 -2.155 -0.162 1.00 0.00 C ATOM 814 CD1 ILE B 13 -12.064 -5.249 2.046 1.00 0.00 C ATOM 0 H ILE B 13 -11.127 -4.513 -1.564 1.00 0.00 H new ATOM 0 HA ILE B 13 -9.477 -2.651 -0.228 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.124 -2.896 1.621 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -13.301 -4.153 0.697 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -12.087 -5.146 -0.084 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -13.008 -1.919 0.325 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -11.436 -1.263 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -12.253 -2.497 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -12.745 -6.100 2.069 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -11.036 -5.606 2.102 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -12.269 -4.598 2.896 1.00 0.00 H new ATOM 826 N ARG B 14 -9.190 -5.789 0.585 1.00 0.00 N ATOM 827 CA ARG B 14 -8.359 -6.719 1.316 1.00 0.00 C ATOM 828 C ARG B 14 -6.903 -6.424 1.040 1.00 0.00 C ATOM 829 O ARG B 14 -6.128 -6.281 1.965 1.00 0.00 O ATOM 830 CB ARG B 14 -8.676 -8.165 0.939 1.00 0.00 C ATOM 831 CG ARG B 14 -9.809 -8.783 1.742 1.00 0.00 C ATOM 832 CD ARG B 14 -9.463 -8.881 3.221 1.00 0.00 C ATOM 833 NE ARG B 14 -8.186 -9.561 3.447 1.00 0.00 N ATOM 834 CZ ARG B 14 -7.904 -10.290 4.529 1.00 0.00 C ATOM 835 NH1 ARG B 14 -8.839 -10.512 5.449 1.00 0.00 N ATOM 836 NH2 ARG B 14 -6.692 -10.811 4.676 1.00 0.00 N ATOM 0 H ARG B 14 -9.794 -6.223 -0.113 1.00 0.00 H new ATOM 0 HA ARG B 14 -8.565 -6.596 2.379 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -8.932 -8.205 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -7.779 -8.769 1.073 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -10.711 -8.184 1.618 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -10.030 -9.777 1.353 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -9.420 -7.880 3.649 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -10.256 -9.417 3.743 1.00 0.00 H new ATOM 0 HE ARG B 14 -7.465 -9.472 2.731 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -9.775 -10.125 5.329 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -8.620 -11.070 6.275 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -5.979 -10.654 3.963 1.00 0.00 H new ATOM 0 HH22 ARG B 14 -6.473 -11.369 5.502 1.00 0.00 H new ATOM 850 N SER B 15 -6.563 -6.289 -0.239 1.00 0.00 N ATOM 851 CA SER B 15 -5.201 -6.056 -0.663 1.00 0.00 C ATOM 852 C SER B 15 -4.626 -4.842 0.043 1.00 0.00 C ATOM 853 O SER B 15 -3.485 -4.870 0.458 1.00 0.00 O ATOM 854 CB SER B 15 -5.155 -5.865 -2.181 1.00 0.00 C ATOM 855 OG SER B 15 -3.824 -5.721 -2.649 1.00 0.00 O ATOM 0 H SER B 15 -7.233 -6.340 -1.007 1.00 0.00 H new ATOM 0 HA SER B 15 -4.596 -6.923 -0.398 1.00 0.00 H new ATOM 0 HB2 SER B 15 -5.623 -6.719 -2.670 1.00 0.00 H new ATOM 0 HB3 SER B 15 -5.735 -4.984 -2.455 1.00 0.00 H new ATOM 0 HG SER B 15 -3.830 -5.602 -3.622 1.00 0.00 H new ATOM 861 N LEU B 16 -5.439 -3.800 0.198 1.00 0.00 N ATOM 862 CA LEU B 16 -5.013 -2.574 0.852 1.00 0.00 C ATOM 863 C LEU B 16 -4.524 -2.867 2.261 1.00 0.00 C ATOM 864 O LEU B 16 -3.366 -2.643 2.565 1.00 0.00 O ATOM 865 CB LEU B 16 -6.164 -1.566 0.895 1.00 0.00 C ATOM 866 CG LEU B 16 -6.701 -1.126 -0.470 1.00 0.00 C ATOM 867 CD1 LEU B 16 -7.912 -0.222 -0.300 1.00 0.00 C ATOM 868 CD2 LEU B 16 -5.617 -0.421 -1.270 1.00 0.00 C ATOM 0 H LEU B 16 -6.406 -3.785 -0.126 1.00 0.00 H new ATOM 0 HA LEU B 16 -4.191 -2.145 0.278 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -6.984 -2.000 1.467 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -5.830 -0.682 1.438 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.009 -2.015 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -8.280 0.081 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -8.696 -0.761 0.232 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -7.629 0.663 0.270 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.018 -0.116 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -5.276 0.459 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -4.778 -1.100 -1.423 1.00 0.00 H new ATOM 880 N GLN B 17 -5.409 -3.409 3.090 1.00 0.00 N ATOM 881 CA GLN B 17 -5.100 -3.685 4.476 1.00 0.00 C ATOM 882 C GLN B 17 -3.997 -4.715 4.560 1.00 0.00 C ATOM 883 O GLN B 17 -3.126 -4.614 5.402 1.00 0.00 O ATOM 884 CB GLN B 17 -6.350 -4.185 5.204 1.00 0.00 C ATOM 885 CG GLN B 17 -7.532 -3.234 5.104 1.00 0.00 C ATOM 886 CD GLN B 17 -8.771 -3.760 5.801 1.00 0.00 C ATOM 887 OE1 GLN B 17 -8.682 -4.490 6.787 1.00 0.00 O ATOM 888 NE2 GLN B 17 -9.937 -3.393 5.293 1.00 0.00 N ATOM 0 H GLN B 17 -6.357 -3.667 2.815 1.00 0.00 H new ATOM 0 HA GLN B 17 -4.762 -2.766 4.956 1.00 0.00 H new ATOM 0 HB2 GLN B 17 -6.637 -5.153 4.793 1.00 0.00 H new ATOM 0 HB3 GLN B 17 -6.109 -4.343 6.255 1.00 0.00 H new ATOM 0 HG2 GLN B 17 -7.257 -2.273 5.539 1.00 0.00 H new ATOM 0 HG3 GLN B 17 -7.760 -3.055 4.053 1.00 0.00 H new ATOM 0 HE21 GLN B 17 -9.968 -2.786 4.474 1.00 0.00 H new ATOM 0 HE22 GLN B 17 -10.804 -3.717 5.721 1.00 0.00 H new ATOM 897 N GLU B 18 -4.039 -5.680 3.649 1.00 0.00 N ATOM 898 CA GLU B 18 -3.060 -6.746 3.576 1.00 0.00 C ATOM 899 C GLU B 18 -1.662 -6.167 3.462 1.00 0.00 C ATOM 900 O GLU B 18 -0.788 -6.500 4.245 1.00 0.00 O ATOM 901 CB GLU B 18 -3.363 -7.625 2.361 1.00 0.00 C ATOM 902 CG GLU B 18 -2.490 -8.861 2.240 1.00 0.00 C ATOM 903 CD GLU B 18 -2.803 -9.906 3.288 1.00 0.00 C ATOM 904 OE1 GLU B 18 -3.947 -10.405 3.309 1.00 0.00 O ATOM 905 OE2 GLU B 18 -1.897 -10.259 4.071 1.00 0.00 O ATOM 0 H GLU B 18 -4.764 -5.741 2.934 1.00 0.00 H new ATOM 0 HA GLU B 18 -3.113 -7.347 4.484 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -4.407 -7.937 2.406 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -3.248 -7.026 1.458 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -2.620 -9.296 1.249 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -1.443 -8.570 2.325 1.00 0.00 H new ATOM 912 N GLN B 19 -1.472 -5.272 2.499 1.00 0.00 N ATOM 913 CA GLN B 19 -0.175 -4.700 2.232 1.00 0.00 C ATOM 914 C GLN B 19 0.191 -3.718 3.325 1.00 0.00 C ATOM 915 O GLN B 19 1.329 -3.675 3.738 1.00 0.00 O ATOM 916 CB GLN B 19 -0.166 -4.010 0.865 1.00 0.00 C ATOM 917 CG GLN B 19 1.214 -3.535 0.429 1.00 0.00 C ATOM 918 CD GLN B 19 2.227 -4.665 0.353 1.00 0.00 C ATOM 919 OE1 GLN B 19 2.926 -4.959 1.323 1.00 0.00 O ATOM 920 NE2 GLN B 19 2.310 -5.314 -0.799 1.00 0.00 N ATOM 0 H GLN B 19 -2.214 -4.930 1.889 1.00 0.00 H new ATOM 0 HA GLN B 19 0.566 -5.499 2.216 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -0.556 -4.700 0.117 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -0.842 -3.156 0.894 1.00 0.00 H new ATOM 0 HG2 GLN B 19 1.137 -3.056 -0.547 1.00 0.00 H new ATOM 0 HG3 GLN B 19 1.571 -2.779 1.128 1.00 0.00 H new ATOM 0 HE21 GLN B 19 1.715 -5.042 -1.581 1.00 0.00 H new ATOM 0 HE22 GLN B 19 2.969 -6.085 -0.903 1.00 0.00 H new ATOM 929 N ASN B 20 -0.795 -2.966 3.809 1.00 0.00 N ATOM 930 CA ASN B 20 -0.577 -1.960 4.838 1.00 0.00 C ATOM 931 C ASN B 20 0.071 -2.565 6.059 1.00 0.00 C ATOM 932 O ASN B 20 1.101 -2.088 6.497 1.00 0.00 O ATOM 933 CB ASN B 20 -1.889 -1.278 5.237 1.00 0.00 C ATOM 934 CG ASN B 20 -2.157 -0.020 4.434 1.00 0.00 C ATOM 935 OD1 ASN B 20 -1.688 0.008 3.197 1.00 0.00 O flip ATOM 936 ND2 ASN B 20 -2.783 0.920 4.922 1.00 0.00 N flip ATOM 0 H ASN B 20 -1.764 -3.039 3.498 1.00 0.00 H new ATOM 0 HA ASN B 20 0.092 -1.210 4.417 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -2.714 -1.976 5.099 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -1.857 -1.028 6.298 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -3.128 0.860 5.880 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -2.957 1.759 4.369 1.00 0.00 H new ATOM 943 N TYR B 21 -0.513 -3.643 6.574 1.00 0.00 N ATOM 944 CA TYR B 21 -0.021 -4.285 7.777 1.00 0.00 C ATOM 945 C TYR B 21 1.428 -4.686 7.579 1.00 0.00 C ATOM 946 O TYR B 21 2.261 -4.432 8.431 1.00 0.00 O ATOM 947 CB TYR B 21 -0.875 -5.508 8.116 1.00 0.00 C ATOM 948 CG TYR B 21 -0.859 -5.872 9.584 1.00 0.00 C ATOM 949 CD1 TYR B 21 -1.782 -5.313 10.458 1.00 0.00 C ATOM 950 CD2 TYR B 21 0.073 -6.767 10.094 1.00 0.00 C ATOM 951 CE1 TYR B 21 -1.781 -5.639 11.799 1.00 0.00 C ATOM 952 CE2 TYR B 21 0.080 -7.096 11.437 1.00 0.00 C ATOM 953 CZ TYR B 21 -0.848 -6.528 12.286 1.00 0.00 C ATOM 954 OH TYR B 21 -0.848 -6.852 13.624 1.00 0.00 O ATOM 0 H TYR B 21 -1.335 -4.090 6.168 1.00 0.00 H new ATOM 0 HA TYR B 21 -0.086 -3.585 8.610 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -1.904 -5.319 7.809 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -0.521 -6.360 7.536 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -2.512 -4.612 10.082 1.00 0.00 H new ATOM 0 HD2 TYR B 21 0.802 -7.212 9.433 1.00 0.00 H new ATOM 0 HE1 TYR B 21 -2.509 -5.199 12.464 1.00 0.00 H new ATOM 0 HE2 TYR B 21 0.809 -7.795 11.820 1.00 0.00 H new ATOM 0 HH TYR B 21 -0.129 -7.492 13.806 1.00 0.00 H new ATOM 964 N HIS B 22 1.713 -5.277 6.427 1.00 0.00 N ATOM 965 CA HIS B 22 3.059 -5.675 6.072 1.00 0.00 C ATOM 966 C HIS B 22 3.969 -4.459 6.005 1.00 0.00 C ATOM 967 O HIS B 22 5.004 -4.448 6.637 1.00 0.00 O ATOM 968 CB HIS B 22 3.046 -6.414 4.731 1.00 0.00 C ATOM 969 CG HIS B 22 4.405 -6.638 4.132 1.00 0.00 C ATOM 970 ND1 HIS B 22 4.722 -6.246 2.854 1.00 0.00 N ATOM 971 CD2 HIS B 22 5.523 -7.214 4.633 1.00 0.00 C ATOM 972 CE1 HIS B 22 5.972 -6.569 2.593 1.00 0.00 C ATOM 973 NE2 HIS B 22 6.484 -7.157 3.655 1.00 0.00 N ATOM 0 H HIS B 22 1.015 -5.492 5.715 1.00 0.00 H new ATOM 0 HA HIS B 22 3.445 -6.347 6.838 1.00 0.00 H new ATOM 0 HB2 HIS B 22 2.559 -7.380 4.867 1.00 0.00 H new ATOM 0 HB3 HIS B 22 2.440 -5.848 4.024 1.00 0.00 H new ATOM 0 HD1 HIS B 22 4.088 -5.777 2.207 1.00 0.00 H new ATOM 0 HD2 HIS B 22 5.637 -7.639 5.619 1.00 0.00 H new ATOM 0 HE1 HIS B 22 6.490 -6.383 1.664 1.00 0.00 H new ATOM 0 HE2 HIS B 22 7.437 -7.511 3.737 1.00 0.00 H new ATOM 982 N LEU B 23 3.549 -3.441 5.260 1.00 0.00 N ATOM 983 CA LEU B 23 4.357 -2.258 5.020 1.00 0.00 C ATOM 984 C LEU B 23 4.765 -1.614 6.332 1.00 0.00 C ATOM 985 O LEU B 23 5.943 -1.402 6.556 1.00 0.00 O ATOM 986 CB LEU B 23 3.581 -1.265 4.135 1.00 0.00 C ATOM 987 CG LEU B 23 4.384 -0.073 3.591 1.00 0.00 C ATOM 988 CD1 LEU B 23 3.714 0.480 2.344 1.00 0.00 C ATOM 989 CD2 LEU B 23 4.512 1.027 4.637 1.00 0.00 C ATOM 0 H LEU B 23 2.636 -3.417 4.806 1.00 0.00 H new ATOM 0 HA LEU B 23 5.267 -2.551 4.497 1.00 0.00 H new ATOM 0 HB2 LEU B 23 3.164 -1.812 3.289 1.00 0.00 H new ATOM 0 HB3 LEU B 23 2.740 -0.878 4.710 1.00 0.00 H new ATOM 0 HG LEU B 23 5.384 -0.426 3.341 1.00 0.00 H new ATOM 0 HD11 LEU B 23 4.290 1.324 1.966 1.00 0.00 H new ATOM 0 HD12 LEU B 23 3.666 -0.297 1.582 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.705 0.810 2.589 1.00 0.00 H new ATOM 0 HD21 LEU B 23 5.085 1.857 4.224 1.00 0.00 H new ATOM 0 HD22 LEU B 23 3.519 1.377 4.921 1.00 0.00 H new ATOM 0 HD23 LEU B 23 5.024 0.635 5.516 1.00 0.00 H new ATOM 1001 N GLU B 24 3.790 -1.344 7.199 1.00 0.00 N ATOM 1002 CA GLU B 24 4.035 -0.672 8.462 1.00 0.00 C ATOM 1003 C GLU B 24 5.098 -1.398 9.264 1.00 0.00 C ATOM 1004 O GLU B 24 5.983 -0.770 9.814 1.00 0.00 O ATOM 1005 CB GLU B 24 2.741 -0.563 9.272 1.00 0.00 C ATOM 1006 CG GLU B 24 1.701 0.341 8.629 1.00 0.00 C ATOM 1007 CD GLU B 24 0.415 0.418 9.431 1.00 0.00 C ATOM 1008 OE1 GLU B 24 0.472 0.783 10.624 1.00 0.00 O ATOM 1009 OE2 GLU B 24 -0.664 0.141 8.864 1.00 0.00 O ATOM 0 H GLU B 24 2.812 -1.587 7.041 1.00 0.00 H new ATOM 0 HA GLU B 24 4.397 0.333 8.245 1.00 0.00 H new ATOM 0 HB2 GLU B 24 2.317 -1.559 9.401 1.00 0.00 H new ATOM 0 HB3 GLU B 24 2.975 -0.185 10.267 1.00 0.00 H new ATOM 0 HG2 GLU B 24 2.116 1.343 8.518 1.00 0.00 H new ATOM 0 HG3 GLU B 24 1.478 -0.025 7.627 1.00 0.00 H new ATOM 1016 N ASN B 25 5.025 -2.720 9.292 1.00 0.00 N ATOM 1017 CA ASN B 25 5.986 -3.518 10.023 1.00 0.00 C ATOM 1018 C ASN B 25 7.309 -3.534 9.290 1.00 0.00 C ATOM 1019 O ASN B 25 8.344 -3.341 9.895 1.00 0.00 O ATOM 1020 CB ASN B 25 5.474 -4.951 10.219 1.00 0.00 C ATOM 1021 CG ASN B 25 4.473 -5.058 11.351 1.00 0.00 C ATOM 1022 OD1 ASN B 25 4.843 -5.300 12.499 1.00 0.00 O ATOM 1023 ND2 ASN B 25 3.197 -4.894 11.037 1.00 0.00 N ATOM 0 H ASN B 25 4.305 -3.261 8.813 1.00 0.00 H new ATOM 0 HA ASN B 25 6.126 -3.069 11.006 1.00 0.00 H new ATOM 0 HB2 ASN B 25 5.012 -5.298 9.295 1.00 0.00 H new ATOM 0 HB3 ASN B 25 6.318 -5.611 10.421 1.00 0.00 H new ATOM 0 HD21 ASN B 25 2.481 -4.967 11.759 1.00 0.00 H new ATOM 0 HD22 ASN B 25 2.931 -4.694 10.073 1.00 0.00 H new ATOM 1030 N GLU B 26 7.246 -3.710 7.976 1.00 0.00 N ATOM 1031 CA GLU B 26 8.425 -3.845 7.146 1.00 0.00 C ATOM 1032 C GLU B 26 9.320 -2.632 7.284 1.00 0.00 C ATOM 1033 O GLU B 26 10.484 -2.768 7.623 1.00 0.00 O ATOM 1034 CB GLU B 26 8.027 -4.026 5.679 1.00 0.00 C ATOM 1035 CG GLU B 26 9.133 -4.602 4.813 1.00 0.00 C ATOM 1036 CD GLU B 26 9.321 -6.086 5.036 1.00 0.00 C ATOM 1037 OE1 GLU B 26 9.714 -6.488 6.153 1.00 0.00 O ATOM 1038 OE2 GLU B 26 9.051 -6.867 4.092 1.00 0.00 O ATOM 0 H GLU B 26 6.369 -3.763 7.458 1.00 0.00 H new ATOM 0 HA GLU B 26 8.973 -4.726 7.480 1.00 0.00 H new ATOM 0 HB2 GLU B 26 7.158 -4.681 5.626 1.00 0.00 H new ATOM 0 HB3 GLU B 26 7.724 -3.061 5.272 1.00 0.00 H new ATOM 0 HG2 GLU B 26 8.902 -4.421 3.763 1.00 0.00 H new ATOM 0 HG3 GLU B 26 10.067 -4.083 5.028 1.00 0.00 H new ATOM 1045 N VAL B 27 8.758 -1.447 7.059 1.00 0.00 N ATOM 1046 CA VAL B 27 9.524 -0.220 7.071 1.00 0.00 C ATOM 1047 C VAL B 27 10.200 -0.036 8.417 1.00 0.00 C ATOM 1048 O VAL B 27 11.349 0.356 8.466 1.00 0.00 O ATOM 1049 CB VAL B 27 8.650 1.018 6.724 1.00 0.00 C ATOM 1050 CG1 VAL B 27 7.536 1.226 7.740 1.00 0.00 C ATOM 1051 CG2 VAL B 27 9.515 2.267 6.603 1.00 0.00 C ATOM 0 H VAL B 27 7.765 -1.319 6.865 1.00 0.00 H new ATOM 0 HA VAL B 27 10.287 -0.302 6.297 1.00 0.00 H new ATOM 0 HB VAL B 27 8.177 0.828 5.760 1.00 0.00 H new ATOM 0 HG11 VAL B 27 6.948 2.101 7.462 1.00 0.00 H new ATOM 0 HG12 VAL B 27 6.892 0.347 7.759 1.00 0.00 H new ATOM 0 HG13 VAL B 27 7.969 1.379 8.728 1.00 0.00 H new ATOM 0 HG21 VAL B 27 8.886 3.123 6.360 1.00 0.00 H new ATOM 0 HG22 VAL B 27 10.026 2.449 7.549 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.253 2.123 5.814 1.00 0.00 H new ATOM 1061 N ALA B 28 9.500 -0.387 9.496 1.00 0.00 N ATOM 1062 CA ALA B 28 10.029 -0.255 10.835 1.00 0.00 C ATOM 1063 C ALA B 28 11.296 -1.070 10.982 1.00 0.00 C ATOM 1064 O ALA B 28 12.293 -0.569 11.470 1.00 0.00 O ATOM 1065 CB ALA B 28 8.995 -0.679 11.865 1.00 0.00 C ATOM 0 H ALA B 28 8.555 -0.768 9.457 1.00 0.00 H new ATOM 0 HA ALA B 28 10.270 0.793 11.010 1.00 0.00 H new ATOM 0 HB1 ALA B 28 9.413 -0.572 12.866 1.00 0.00 H new ATOM 0 HB2 ALA B 28 8.110 -0.050 11.772 1.00 0.00 H new ATOM 0 HB3 ALA B 28 8.719 -1.720 11.696 1.00 0.00 H new ATOM 1071 N ARG B 29 11.244 -2.309 10.509 1.00 0.00 N ATOM 1072 CA ARG B 29 12.373 -3.217 10.562 1.00 0.00 C ATOM 1073 C ARG B 29 13.551 -2.616 9.821 1.00 0.00 C ATOM 1074 O ARG B 29 14.617 -2.444 10.388 1.00 0.00 O ATOM 1075 CB ARG B 29 11.998 -4.555 9.920 1.00 0.00 C ATOM 1076 CG ARG B 29 10.771 -5.214 10.528 1.00 0.00 C ATOM 1077 CD ARG B 29 10.244 -6.329 9.637 1.00 0.00 C ATOM 1078 NE ARG B 29 9.037 -6.944 10.189 1.00 0.00 N ATOM 1079 CZ ARG B 29 8.129 -7.596 9.462 1.00 0.00 C ATOM 1080 NH1 ARG B 29 8.241 -7.665 8.138 1.00 0.00 N ATOM 1081 NH2 ARG B 29 7.090 -8.161 10.066 1.00 0.00 N ATOM 0 H ARG B 29 10.412 -2.710 10.077 1.00 0.00 H new ATOM 0 HA ARG B 29 12.645 -3.381 11.605 1.00 0.00 H new ATOM 0 HB2 ARG B 29 11.823 -4.398 8.856 1.00 0.00 H new ATOM 0 HB3 ARG B 29 12.844 -5.237 10.007 1.00 0.00 H new ATOM 0 HG2 ARG B 29 11.021 -5.617 11.509 1.00 0.00 H new ATOM 0 HG3 ARG B 29 9.992 -4.467 10.679 1.00 0.00 H new ATOM 0 HD2 ARG B 29 10.027 -5.930 8.646 1.00 0.00 H new ATOM 0 HD3 ARG B 29 11.015 -7.090 9.513 1.00 0.00 H new ATOM 0 HE ARG B 29 8.880 -6.869 11.194 1.00 0.00 H new ATOM 0 HH11 ARG B 29 9.028 -7.216 7.669 1.00 0.00 H new ATOM 0 HH12 ARG B 29 7.540 -8.167 7.592 1.00 0.00 H new ATOM 0 HH21 ARG B 29 6.991 -8.094 11.079 1.00 0.00 H new ATOM 0 HH22 ARG B 29 6.391 -8.661 9.517 1.00 0.00 H new ATOM 1095 N LEU B 30 13.314 -2.261 8.562 1.00 0.00 N ATOM 1096 CA LEU B 30 14.355 -1.786 7.666 1.00 0.00 C ATOM 1097 C LEU B 30 15.125 -0.616 8.252 1.00 0.00 C ATOM 1098 O LEU B 30 16.296 -0.764 8.567 1.00 0.00 O ATOM 1099 CB LEU B 30 13.762 -1.389 6.310 1.00 0.00 C ATOM 1100 CG LEU B 30 13.713 -2.497 5.251 1.00 0.00 C ATOM 1101 CD1 LEU B 30 12.882 -3.677 5.727 1.00 0.00 C ATOM 1102 CD2 LEU B 30 13.162 -1.949 3.947 1.00 0.00 C ATOM 0 H LEU B 30 12.388 -2.296 8.135 1.00 0.00 H new ATOM 0 HA LEU B 30 15.054 -2.611 7.528 1.00 0.00 H new ATOM 0 HB2 LEU B 30 12.748 -1.022 6.472 1.00 0.00 H new ATOM 0 HB3 LEU B 30 14.342 -0.557 5.911 1.00 0.00 H new ATOM 0 HG LEU B 30 14.730 -2.853 5.083 1.00 0.00 H new ATOM 0 HD11 LEU B 30 12.866 -4.446 4.955 1.00 0.00 H new ATOM 0 HD12 LEU B 30 13.319 -4.086 6.638 1.00 0.00 H new ATOM 0 HD13 LEU B 30 11.864 -3.346 5.931 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.132 -2.744 3.202 1.00 0.00 H new ATOM 0 HD22 LEU B 30 12.155 -1.566 4.110 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.804 -1.143 3.591 1.00 0.00 H new ATOM 1114 N LYS B 31 14.461 0.524 8.435 1.00 0.00 N ATOM 1115 CA LYS B 31 15.145 1.756 8.766 1.00 0.00 C ATOM 1116 C LYS B 31 15.883 1.667 10.085 1.00 0.00 C ATOM 1117 O LYS B 31 16.919 2.280 10.223 1.00 0.00 O ATOM 1118 CB LYS B 31 14.197 2.970 8.727 1.00 0.00 C ATOM 1119 CG LYS B 31 12.831 2.771 9.378 1.00 0.00 C ATOM 1120 CD LYS B 31 12.882 2.816 10.900 1.00 0.00 C ATOM 1121 CE LYS B 31 11.480 2.770 11.488 1.00 0.00 C ATOM 1122 NZ LYS B 31 11.484 2.738 12.974 1.00 0.00 N ATOM 0 H LYS B 31 13.448 0.612 8.358 1.00 0.00 H new ATOM 0 HA LYS B 31 15.898 1.909 7.992 1.00 0.00 H new ATOM 0 HB2 LYS B 31 14.692 3.809 9.216 1.00 0.00 H new ATOM 0 HB3 LYS B 31 14.044 3.253 7.686 1.00 0.00 H new ATOM 0 HG2 LYS B 31 12.149 3.542 9.020 1.00 0.00 H new ATOM 0 HG3 LYS B 31 12.421 1.812 9.062 1.00 0.00 H new ATOM 0 HD2 LYS B 31 13.466 1.975 11.274 1.00 0.00 H new ATOM 0 HD3 LYS B 31 13.388 3.725 11.225 1.00 0.00 H new ATOM 0 HE2 LYS B 31 10.919 3.641 11.149 1.00 0.00 H new ATOM 0 HE3 LYS B 31 10.961 1.889 11.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 10.505 2.707 13.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 11.995 1.894 13.302 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 11.955 3.591 13.338 1.00 0.00 H new ATOM 1136 N LYS B 32 15.390 0.877 11.030 1.00 0.00 N ATOM 1137 CA LYS B 32 16.050 0.777 12.327 1.00 0.00 C ATOM 1138 C LYS B 32 17.367 0.016 12.202 1.00 0.00 C ATOM 1139 O LYS B 32 18.360 0.361 12.841 1.00 0.00 O ATOM 1140 CB LYS B 32 15.155 0.081 13.357 1.00 0.00 C ATOM 1141 CG LYS B 32 15.707 0.164 14.776 1.00 0.00 C ATOM 1142 CD LYS B 32 14.972 -0.763 15.730 1.00 0.00 C ATOM 1143 CE LYS B 32 15.217 -2.219 15.383 1.00 0.00 C ATOM 1144 NZ LYS B 32 14.537 -3.137 16.330 1.00 0.00 N ATOM 0 H LYS B 32 14.551 0.306 10.928 1.00 0.00 H new ATOM 0 HA LYS B 32 16.250 1.792 12.670 1.00 0.00 H new ATOM 0 HB2 LYS B 32 14.163 0.531 13.332 1.00 0.00 H new ATOM 0 HB3 LYS B 32 15.037 -0.966 13.079 1.00 0.00 H new ATOM 0 HG2 LYS B 32 16.767 -0.091 14.768 1.00 0.00 H new ATOM 0 HG3 LYS B 32 15.629 1.190 15.136 1.00 0.00 H new ATOM 0 HD2 LYS B 32 15.299 -0.571 16.752 1.00 0.00 H new ATOM 0 HD3 LYS B 32 13.903 -0.553 15.693 1.00 0.00 H new ATOM 0 HE2 LYS B 32 14.864 -2.415 14.371 1.00 0.00 H new ATOM 0 HE3 LYS B 32 16.289 -2.418 15.391 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.730 -4.122 16.058 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 14.892 -2.968 17.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 13.512 -2.965 16.304 1.00 0.00 H new ATOM 1158 N LEU B 33 17.372 -1.010 11.362 1.00 0.00 N ATOM 1159 CA LEU B 33 18.548 -1.853 11.206 1.00 0.00 C ATOM 1160 C LEU B 33 19.533 -1.219 10.228 1.00 0.00 C ATOM 1161 O LEU B 33 20.712 -1.058 10.541 1.00 0.00 O ATOM 1162 CB LEU B 33 18.129 -3.254 10.732 1.00 0.00 C ATOM 1163 CG LEU B 33 19.124 -4.396 11.013 1.00 0.00 C ATOM 1164 CD1 LEU B 33 20.390 -4.256 10.181 1.00 0.00 C ATOM 1165 CD2 LEU B 33 19.468 -4.446 12.495 1.00 0.00 C ATOM 0 H LEU B 33 16.578 -1.278 10.780 1.00 0.00 H new ATOM 0 HA LEU B 33 19.047 -1.948 12.171 1.00 0.00 H new ATOM 0 HB2 LEU B 33 17.179 -3.505 11.203 1.00 0.00 H new ATOM 0 HB3 LEU B 33 17.951 -3.212 9.658 1.00 0.00 H new ATOM 0 HG LEU B 33 18.642 -5.331 10.728 1.00 0.00 H new ATOM 0 HD11 LEU B 33 21.067 -5.080 10.407 1.00 0.00 H new ATOM 0 HD12 LEU B 33 20.134 -4.277 9.122 1.00 0.00 H new ATOM 0 HD13 LEU B 33 20.878 -3.310 10.417 1.00 0.00 H new ATOM 0 HD21 LEU B 33 20.172 -5.258 12.678 1.00 0.00 H new ATOM 0 HD22 LEU B 33 19.919 -3.500 12.796 1.00 0.00 H new ATOM 0 HD23 LEU B 33 18.560 -4.616 13.074 1.00 0.00 H new ATOM 1177 N VAL B 34 19.041 -0.836 9.054 1.00 0.00 N ATOM 1178 CA VAL B 34 19.908 -0.331 7.997 1.00 0.00 C ATOM 1179 C VAL B 34 20.514 1.019 8.377 1.00 0.00 C ATOM 1180 O VAL B 34 21.599 1.375 7.914 1.00 0.00 O ATOM 1181 CB VAL B 34 19.157 -0.215 6.648 1.00 0.00 C ATOM 1182 CG1 VAL B 34 18.144 0.922 6.663 1.00 0.00 C ATOM 1183 CG2 VAL B 34 20.138 -0.045 5.500 1.00 0.00 C ATOM 0 H VAL B 34 18.051 -0.866 8.812 1.00 0.00 H new ATOM 0 HA VAL B 34 20.715 -1.054 7.876 1.00 0.00 H new ATOM 0 HB VAL B 34 18.606 -1.143 6.499 1.00 0.00 H new ATOM 0 HG11 VAL B 34 17.638 0.971 5.699 1.00 0.00 H new ATOM 0 HG12 VAL B 34 17.410 0.745 7.450 1.00 0.00 H new ATOM 0 HG13 VAL B 34 18.658 1.865 6.851 1.00 0.00 H new ATOM 0 HG21 VAL B 34 19.589 0.035 4.561 1.00 0.00 H new ATOM 0 HG22 VAL B 34 20.726 0.860 5.655 1.00 0.00 H new ATOM 0 HG23 VAL B 34 20.803 -0.907 5.459 1.00 0.00 H new ATOM 1193 N GLY B 35 19.820 1.750 9.242 1.00 0.00 N ATOM 1194 CA GLY B 35 20.311 3.035 9.695 1.00 0.00 C ATOM 1195 C GLY B 35 21.506 2.896 10.618 1.00 0.00 C ATOM 1196 O GLY B 35 22.267 3.851 10.807 1.00 0.00 O ATOM 0 H GLY B 35 18.922 1.473 9.638 1.00 0.00 H new ATOM 0 HA2 GLY B 35 20.588 3.641 8.833 1.00 0.00 H new ATOM 0 HA3 GLY B 35 19.512 3.565 10.214 1.00 0.00 H new ATOM 1200 N GLU B 36 21.670 1.696 11.180 1.00 0.00 N ATOM 1201 CA GLU B 36 22.752 1.403 12.118 1.00 0.00 C ATOM 1202 C GLU B 36 22.601 2.234 13.384 1.00 0.00 C ATOM 1203 O GLU B 36 21.529 2.780 13.659 1.00 0.00 O ATOM 1204 CB GLU B 36 24.121 1.666 11.484 1.00 0.00 C ATOM 1205 CG GLU B 36 24.416 0.806 10.271 1.00 0.00 C ATOM 1206 CD GLU B 36 25.782 1.093 9.687 1.00 0.00 C ATOM 1207 OE1 GLU B 36 25.925 2.107 8.975 1.00 0.00 O ATOM 1208 OE2 GLU B 36 26.722 0.315 9.948 1.00 0.00 O ATOM 0 H GLU B 36 21.056 0.902 10.997 1.00 0.00 H new ATOM 0 HA GLU B 36 22.689 0.346 12.376 1.00 0.00 H new ATOM 0 HB2 GLU B 36 24.180 2.715 11.195 1.00 0.00 H new ATOM 0 HB3 GLU B 36 24.895 1.497 12.233 1.00 0.00 H new ATOM 0 HG2 GLU B 36 24.355 -0.246 10.550 1.00 0.00 H new ATOM 0 HG3 GLU B 36 23.654 0.979 9.511 1.00 0.00 H new ATOM 1215 N ARG B 37 23.661 2.307 14.164 1.00 0.00 N ATOM 1216 CA ARG B 37 23.671 3.129 15.358 1.00 0.00 C ATOM 1217 C ARG B 37 24.939 3.972 15.413 1.00 0.00 C ATOM 1218 O ARG B 37 25.878 3.605 16.144 1.00 0.00 O ATOM 1219 CB ARG B 37 23.523 2.258 16.610 1.00 0.00 C ATOM 1220 CG ARG B 37 24.410 1.022 16.619 1.00 0.00 C ATOM 1221 CD ARG B 37 24.203 0.209 17.884 1.00 0.00 C ATOM 1222 NE ARG B 37 24.987 -1.026 17.879 1.00 0.00 N ATOM 1223 CZ ARG B 37 25.809 -1.389 18.862 1.00 0.00 C ATOM 1224 NH1 ARG B 37 25.974 -0.598 19.916 1.00 0.00 N ATOM 1225 NH2 ARG B 37 26.465 -2.542 18.793 1.00 0.00 N ATOM 1226 OXT ARG B 37 24.995 4.994 14.697 1.00 0.00 O ATOM 0 H ARG B 37 24.531 1.804 13.991 1.00 0.00 H new ATOM 0 HA ARG B 37 22.820 3.809 15.324 1.00 0.00 H new ATOM 0 HB2 ARG B 37 23.752 2.862 17.488 1.00 0.00 H new ATOM 0 HB3 ARG B 37 22.483 1.945 16.700 1.00 0.00 H new ATOM 0 HG2 ARG B 37 24.189 0.406 15.747 1.00 0.00 H new ATOM 0 HG3 ARG B 37 25.456 1.320 16.542 1.00 0.00 H new ATOM 0 HD2 ARG B 37 24.480 0.810 18.750 1.00 0.00 H new ATOM 0 HD3 ARG B 37 23.146 -0.034 17.989 1.00 0.00 H new ATOM 0 HE ARG B 37 24.899 -1.646 17.074 1.00 0.00 H new ATOM 0 HH11 ARG B 37 25.471 0.288 19.973 1.00 0.00 H new ATOM 0 HH12 ARG B 37 26.604 -0.876 20.669 1.00 0.00 H new ATOM 0 HH21 ARG B 37 26.340 -3.152 17.985 1.00 0.00 H new ATOM 0 HH22 ARG B 37 27.094 -2.817 19.548 1.00 0.00 H new TER 1240 ARG B 37