USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 627 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 33 TYR OH : rot -91:sc= -0.518! USER MOD Set 1.2: A 70 HIS : no HD1:sc= -1.4! C(o=-1.9!,f=-11!) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 23 LYS NZ :NH3+ 144:sc= 1.17 (180deg=-0.7) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.185 X(o=-0.18,f=0.037) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 36 THR OG1 : rot -57:sc= 0.985 USER MOD Single : A 37 MET CE :methyl 173:sc= -0.245 (180deg=-0.42) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.696 K(o=0.7,f=-0.48) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -2.36 K(o=-2.4,f=-7.1!) USER MOD Single : A 74 TYR OH : rot -114:sc= -1.48! USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 28:sc= -0.741 USER MOD ----------------------------------------------------------------- ATOM 78 N VAL A 5 -12.018 3.766 0.883 1.00 0.00 N ATOM 79 CA VAL A 5 -10.993 3.352 -0.069 1.00 0.00 C ATOM 80 C VAL A 5 -10.556 1.914 0.192 1.00 0.00 C ATOM 81 O VAL A 5 -10.096 1.221 -0.717 1.00 0.00 O ATOM 82 CB VAL A 5 -9.758 4.273 -0.013 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.818 3.975 -1.175 1.00 0.00 C ATOM 84 CG2 VAL A 5 -10.177 5.736 -0.014 1.00 0.00 C ATOM 0 HA VAL A 5 -11.437 3.423 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.224 4.077 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.952 4.634 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.489 2.937 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.340 4.140 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.290 6.368 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.737 5.953 -0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.804 5.935 0.855 1.00 0.00 H new ATOM 94 N ALA A 6 -10.701 1.471 1.438 1.00 0.00 N ATOM 95 CA ALA A 6 -10.322 0.113 1.815 1.00 0.00 C ATOM 96 C ALA A 6 -11.040 -0.916 0.949 1.00 0.00 C ATOM 97 O ALA A 6 -10.455 -1.920 0.547 1.00 0.00 O ATOM 98 CB ALA A 6 -10.621 -0.130 3.286 1.00 0.00 C ATOM 0 H ALA A 6 -11.078 2.032 2.202 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.250 0.002 1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.333 -1.147 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.057 0.578 3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.687 0.005 3.468 1.00 0.00 H new ATOM 104 N ARG A 7 -12.310 -0.653 0.663 1.00 0.00 N ATOM 105 CA ARG A 7 -13.108 -1.552 -0.161 1.00 0.00 C ATOM 106 C ARG A 7 -12.503 -1.675 -1.552 1.00 0.00 C ATOM 107 O ARG A 7 -12.211 -2.776 -2.023 1.00 0.00 O ATOM 108 CB ARG A 7 -14.550 -1.047 -0.255 1.00 0.00 C ATOM 109 CG ARG A 7 -15.589 -2.116 0.037 1.00 0.00 C ATOM 110 CD ARG A 7 -16.790 -1.540 0.768 1.00 0.00 C ATOM 111 NE ARG A 7 -17.782 -2.563 1.087 1.00 0.00 N ATOM 112 CZ ARG A 7 -18.735 -2.414 2.005 1.00 0.00 C ATOM 113 NH1 ARG A 7 -18.827 -1.283 2.696 1.00 0.00 N ATOM 114 NH2 ARG A 7 -19.596 -3.395 2.233 1.00 0.00 N ATOM 0 H ARG A 7 -12.809 0.175 0.989 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.112 -2.537 0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.683 -0.222 0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.722 -0.648 -1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.915 -2.573 -0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -15.140 -2.906 0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -16.457 -1.059 1.688 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -17.252 -0.767 0.153 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.743 -3.445 0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.166 -0.525 2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.558 -1.173 3.398 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -19.529 -4.265 1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.326 -3.280 2.936 1.00 0.00 H new ATOM 128 N GLU A 8 -12.307 -0.535 -2.198 1.00 0.00 N ATOM 129 CA GLU A 8 -11.724 -0.503 -3.532 1.00 0.00 C ATOM 130 C GLU A 8 -10.308 -1.061 -3.503 1.00 0.00 C ATOM 131 O GLU A 8 -9.862 -1.704 -4.453 1.00 0.00 O ATOM 132 CB GLU A 8 -11.714 0.928 -4.075 1.00 0.00 C ATOM 133 CG GLU A 8 -12.916 1.256 -4.947 1.00 0.00 C ATOM 134 CD GLU A 8 -12.555 2.127 -6.134 1.00 0.00 C ATOM 135 OE1 GLU A 8 -12.135 1.572 -7.171 1.00 0.00 O ATOM 136 OE2 GLU A 8 -12.690 3.364 -6.026 1.00 0.00 O ATOM 0 H GLU A 8 -12.544 0.382 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.333 -1.123 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.682 1.625 -3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.803 1.082 -4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.365 0.329 -5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.670 1.763 -4.345 1.00 0.00 H new ATOM 143 N PHE A 9 -9.608 -0.814 -2.400 1.00 0.00 N ATOM 144 CA PHE A 9 -8.242 -1.294 -2.235 1.00 0.00 C ATOM 145 C PHE A 9 -8.196 -2.816 -2.313 1.00 0.00 C ATOM 146 O PHE A 9 -7.425 -3.386 -3.084 1.00 0.00 O ATOM 147 CB PHE A 9 -7.671 -0.821 -0.897 1.00 0.00 C ATOM 148 CG PHE A 9 -6.204 -1.100 -0.735 1.00 0.00 C ATOM 149 CD1 PHE A 9 -5.759 -2.374 -0.423 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.273 -0.088 -0.894 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.410 -2.634 -0.274 1.00 0.00 C ATOM 152 CE2 PHE A 9 -3.922 -0.340 -0.744 1.00 0.00 C ATOM 153 CZ PHE A 9 -3.490 -1.616 -0.434 1.00 0.00 C ATOM 0 H PHE A 9 -9.966 -0.283 -1.606 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.635 -0.885 -3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.841 0.251 -0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.216 -1.306 -0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.474 -3.173 -0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.606 0.910 -1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.075 -3.632 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.206 0.458 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.435 -1.817 -0.317 1.00 0.00 H new ATOM 163 N ARG A 10 -9.032 -3.468 -1.511 1.00 0.00 N ATOM 164 CA ARG A 10 -9.093 -4.924 -1.492 1.00 0.00 C ATOM 165 C ARG A 10 -9.410 -5.466 -2.881 1.00 0.00 C ATOM 166 O ARG A 10 -8.820 -6.452 -3.324 1.00 0.00 O ATOM 167 CB ARG A 10 -10.147 -5.401 -0.491 1.00 0.00 C ATOM 168 CG ARG A 10 -9.765 -6.686 0.226 1.00 0.00 C ATOM 169 CD ARG A 10 -10.972 -7.588 0.432 1.00 0.00 C ATOM 170 NE ARG A 10 -10.597 -8.888 0.982 1.00 0.00 N ATOM 171 CZ ARG A 10 -10.223 -9.079 2.245 1.00 0.00 C ATOM 172 NH1 ARG A 10 -10.176 -8.059 3.092 1.00 0.00 N ATOM 173 NH2 ARG A 10 -9.899 -10.295 2.664 1.00 0.00 N ATOM 0 H ARG A 10 -9.676 -3.010 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.118 -5.302 -1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.315 -4.618 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.091 -5.553 -1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.008 -7.216 -0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.319 -6.447 1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.678 -7.100 1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.484 -7.731 -0.520 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.623 -9.697 0.362 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.427 -7.122 2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.889 -8.212 4.059 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.936 -11.084 2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.612 -10.441 3.632 1.00 0.00 H new ATOM 187 N HIS A 11 -10.342 -4.811 -3.565 1.00 0.00 N ATOM 188 CA HIS A 11 -10.735 -5.224 -4.908 1.00 0.00 C ATOM 189 C HIS A 11 -9.607 -4.966 -5.903 1.00 0.00 C ATOM 190 O HIS A 11 -9.391 -5.747 -6.828 1.00 0.00 O ATOM 191 CB HIS A 11 -12.001 -4.482 -5.342 1.00 0.00 C ATOM 192 CG HIS A 11 -13.231 -5.337 -5.325 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.409 -6.416 -6.164 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.348 -5.266 -4.563 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.583 -6.971 -5.920 1.00 0.00 C ATOM 196 NE2 HIS A 11 -15.171 -6.292 -4.954 1.00 0.00 N ATOM 0 H HIS A 11 -10.839 -3.993 -3.212 1.00 0.00 H new ATOM 0 HA HIS A 11 -10.942 -6.294 -4.891 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.154 -3.626 -4.685 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -11.855 -4.089 -6.348 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.553 -4.538 -3.792 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.992 -7.834 -6.425 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -16.090 -6.497 -4.561 1.00 0.00 H new ATOM 205 N LYS A 12 -8.892 -3.863 -5.705 1.00 0.00 N ATOM 206 CA LYS A 12 -7.788 -3.499 -6.584 1.00 0.00 C ATOM 207 C LYS A 12 -6.632 -4.487 -6.446 1.00 0.00 C ATOM 208 O LYS A 12 -6.228 -5.122 -7.419 1.00 0.00 O ATOM 209 CB LYS A 12 -7.303 -2.080 -6.272 1.00 0.00 C ATOM 210 CG LYS A 12 -7.365 -1.140 -7.465 1.00 0.00 C ATOM 211 CD LYS A 12 -6.240 -1.418 -8.446 1.00 0.00 C ATOM 212 CE LYS A 12 -6.321 -0.506 -9.660 1.00 0.00 C ATOM 213 NZ LYS A 12 -5.712 0.828 -9.395 1.00 0.00 N ATOM 0 H LYS A 12 -9.058 -3.206 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.150 -3.533 -7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.907 -1.668 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.276 -2.127 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.325 -1.251 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.303 -0.108 -7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.280 -1.279 -7.949 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.285 -2.458 -8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.813 -0.976 -10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.364 -0.378 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.788 1.420 -10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.213 1.288 -8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.710 0.708 -9.144 1.00 0.00 H new ATOM 227 N VAL A 13 -6.108 -4.611 -5.231 1.00 0.00 N ATOM 228 CA VAL A 13 -4.998 -5.522 -4.965 1.00 0.00 C ATOM 229 C VAL A 13 -5.310 -6.929 -5.464 1.00 0.00 C ATOM 230 O VAL A 13 -4.461 -7.586 -6.067 1.00 0.00 O ATOM 231 CB VAL A 13 -4.666 -5.581 -3.462 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.423 -6.423 -3.219 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.488 -4.179 -2.899 1.00 0.00 C ATOM 0 H VAL A 13 -6.433 -4.093 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.134 -5.133 -5.503 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.501 -6.053 -2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.206 -6.452 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.593 -7.437 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.577 -5.985 -3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.254 -4.241 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.673 -3.678 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.409 -3.612 -3.035 1.00 0.00 H new ATOM 243 N ASP A 14 -6.532 -7.385 -5.210 1.00 0.00 N ATOM 244 CA ASP A 14 -6.952 -8.713 -5.639 1.00 0.00 C ATOM 245 C ASP A 14 -6.892 -8.830 -7.159 1.00 0.00 C ATOM 246 O ASP A 14 -6.466 -9.852 -7.697 1.00 0.00 O ATOM 247 CB ASP A 14 -8.370 -9.006 -5.147 1.00 0.00 C ATOM 248 CG ASP A 14 -8.383 -9.744 -3.823 1.00 0.00 C ATOM 249 OD1 ASP A 14 -8.196 -10.978 -3.829 1.00 0.00 O ATOM 250 OD2 ASP A 14 -8.581 -9.086 -2.780 1.00 0.00 O ATOM 0 H ASP A 14 -7.247 -6.856 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.270 -9.445 -5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.916 -8.068 -5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.896 -9.599 -5.895 1.00 0.00 H new ATOM 255 N PHE A 15 -7.320 -7.774 -7.843 1.00 0.00 N ATOM 256 CA PHE A 15 -7.314 -7.753 -9.300 1.00 0.00 C ATOM 257 C PHE A 15 -5.886 -7.713 -9.839 1.00 0.00 C ATOM 258 O PHE A 15 -5.560 -8.397 -10.808 1.00 0.00 O ATOM 259 CB PHE A 15 -8.099 -6.544 -9.815 1.00 0.00 C ATOM 260 CG PHE A 15 -8.937 -6.842 -11.026 1.00 0.00 C ATOM 261 CD1 PHE A 15 -8.359 -7.355 -12.176 1.00 0.00 C ATOM 262 CD2 PHE A 15 -10.302 -6.609 -11.014 1.00 0.00 C ATOM 263 CE1 PHE A 15 -9.127 -7.630 -13.292 1.00 0.00 C ATOM 264 CE2 PHE A 15 -11.076 -6.881 -12.127 1.00 0.00 C ATOM 265 CZ PHE A 15 -10.488 -7.392 -13.266 1.00 0.00 C ATOM 0 H PHE A 15 -7.676 -6.921 -7.411 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.791 -8.667 -9.654 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.745 -6.175 -9.018 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.400 -5.743 -10.055 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.296 -7.542 -12.201 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -10.767 -6.210 -10.125 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.664 -8.030 -14.182 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.139 -6.694 -12.105 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.091 -7.606 -14.136 1.00 0.00 H new ATOM 275 N LEU A 16 -5.040 -6.908 -9.204 1.00 0.00 N ATOM 276 CA LEU A 16 -3.648 -6.779 -9.621 1.00 0.00 C ATOM 277 C LEU A 16 -2.833 -7.987 -9.174 1.00 0.00 C ATOM 278 O LEU A 16 -2.347 -8.762 -9.997 1.00 0.00 O ATOM 279 CB LEU A 16 -3.033 -5.499 -9.049 1.00 0.00 C ATOM 280 CG LEU A 16 -3.939 -4.265 -9.084 1.00 0.00 C ATOM 281 CD1 LEU A 16 -3.806 -3.463 -7.796 1.00 0.00 C ATOM 282 CD2 LEU A 16 -3.610 -3.398 -10.290 1.00 0.00 C ATOM 0 H LEU A 16 -5.294 -6.335 -8.399 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.628 -6.728 -10.710 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.741 -5.686 -8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.121 -5.275 -9.602 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.972 -4.600 -9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.458 -2.591 -7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.092 -4.086 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.773 -3.138 -7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.263 -2.525 -10.300 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.571 -3.073 -10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.760 -3.973 -11.204 1.00 0.00 H new ATOM 294 N ILE A 17 -2.688 -8.135 -7.865 1.00 0.00 N ATOM 295 CA ILE A 17 -1.931 -9.243 -7.297 1.00 0.00 C ATOM 296 C ILE A 17 -2.740 -10.535 -7.323 1.00 0.00 C ATOM 297 O ILE A 17 -2.420 -11.467 -8.060 1.00 0.00 O ATOM 298 CB ILE A 17 -1.499 -8.947 -5.848 1.00 0.00 C ATOM 299 CG1 ILE A 17 -0.859 -7.560 -5.760 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.539 -10.017 -5.347 1.00 0.00 C ATOM 301 CD1 ILE A 17 -0.409 -7.190 -4.363 1.00 0.00 C ATOM 0 H ILE A 17 -3.086 -7.500 -7.173 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.041 -9.365 -7.914 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.383 -8.960 -5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.001 -7.521 -6.432 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.574 -6.816 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.245 -9.791 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.030 -10.990 -5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.346 -10.038 -5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.035 -6.195 -4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.267 -7.196 -3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.330 -7.912 -4.015 1.00 0.00 H new ATOM 313 N GLU A 18 -3.789 -10.582 -6.510 1.00 0.00 N ATOM 314 CA GLU A 18 -4.656 -11.755 -6.428 1.00 0.00 C ATOM 315 C GLU A 18 -3.995 -12.891 -5.643 1.00 0.00 C ATOM 316 O GLU A 18 -4.572 -13.968 -5.493 1.00 0.00 O ATOM 317 CB GLU A 18 -5.035 -12.245 -7.829 1.00 0.00 C ATOM 318 CG GLU A 18 -6.463 -12.754 -7.931 1.00 0.00 C ATOM 319 CD GLU A 18 -6.544 -14.267 -7.938 1.00 0.00 C ATOM 320 OE1 GLU A 18 -6.082 -14.882 -8.922 1.00 0.00 O ATOM 321 OE2 GLU A 18 -7.070 -14.838 -6.959 1.00 0.00 O ATOM 0 H GLU A 18 -4.062 -9.817 -5.894 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.559 -11.454 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.897 -11.430 -8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.352 -13.042 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.043 -12.367 -7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.919 -12.365 -8.842 1.00 0.00 H new ATOM 328 N ASN A 19 -2.785 -12.651 -5.142 1.00 0.00 N ATOM 329 CA ASN A 19 -2.061 -13.659 -4.378 1.00 0.00 C ATOM 330 C ASN A 19 -2.305 -13.486 -2.882 1.00 0.00 C ATOM 331 O ASN A 19 -2.751 -12.430 -2.434 1.00 0.00 O ATOM 332 CB ASN A 19 -0.563 -13.578 -4.675 1.00 0.00 C ATOM 333 CG ASN A 19 -0.170 -14.395 -5.891 1.00 0.00 C ATOM 334 OD1 ASN A 19 -0.716 -14.212 -6.978 1.00 0.00 O ATOM 335 ND2 ASN A 19 0.784 -15.302 -5.711 1.00 0.00 N ATOM 0 H ASN A 19 -2.287 -11.767 -5.252 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.430 -14.640 -4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.283 -12.537 -4.834 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.004 -13.930 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.091 -15.881 -6.493 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.209 -15.419 -4.791 1.00 0.00 H new ATOM 342 N ASP A 20 -2.008 -14.530 -2.114 1.00 0.00 N ATOM 343 CA ASP A 20 -2.196 -14.490 -0.668 1.00 0.00 C ATOM 344 C ASP A 20 -0.914 -14.062 0.036 1.00 0.00 C ATOM 345 O ASP A 20 -0.951 -13.327 1.023 1.00 0.00 O ATOM 346 CB ASP A 20 -2.643 -15.860 -0.152 1.00 0.00 C ATOM 347 CG ASP A 20 -4.152 -15.994 -0.103 1.00 0.00 C ATOM 348 OD1 ASP A 20 -4.838 -15.270 -0.856 1.00 0.00 O ATOM 349 OD2 ASP A 20 -4.649 -16.823 0.688 1.00 0.00 O ATOM 0 H ASP A 20 -1.637 -15.412 -2.468 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.971 -13.756 -0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.232 -16.639 -0.794 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.234 -16.021 0.845 1.00 0.00 H new ATOM 354 N ALA A 21 0.219 -14.529 -0.477 1.00 0.00 N ATOM 355 CA ALA A 21 1.515 -14.195 0.102 1.00 0.00 C ATOM 356 C ALA A 21 1.828 -12.715 -0.073 1.00 0.00 C ATOM 357 O ALA A 21 2.192 -12.029 0.884 1.00 0.00 O ATOM 358 CB ALA A 21 2.608 -15.049 -0.524 1.00 0.00 C ATOM 0 H ALA A 21 0.266 -15.140 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 21 1.474 -14.405 1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.570 -14.789 -0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.397 -16.102 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.641 -14.868 -1.598 1.00 0.00 H new ATOM 364 N GLU A 22 1.679 -12.230 -1.298 1.00 0.00 N ATOM 365 CA GLU A 22 1.942 -10.828 -1.602 1.00 0.00 C ATOM 366 C GLU A 22 1.067 -9.919 -0.748 1.00 0.00 C ATOM 367 O GLU A 22 1.537 -8.925 -0.194 1.00 0.00 O ATOM 368 CB GLU A 22 1.695 -10.551 -3.086 1.00 0.00 C ATOM 369 CG GLU A 22 2.870 -10.918 -3.977 1.00 0.00 C ATOM 370 CD GLU A 22 3.280 -12.370 -3.832 1.00 0.00 C ATOM 371 OE1 GLU A 22 2.443 -13.255 -4.115 1.00 0.00 O ATOM 372 OE2 GLU A 22 4.437 -12.624 -3.437 1.00 0.00 O ATOM 0 H GLU A 22 1.377 -12.786 -2.098 1.00 0.00 H new ATOM 0 HA GLU A 22 2.987 -10.619 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.816 -11.109 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.467 -9.493 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.609 -10.720 -5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.719 -10.279 -3.734 1.00 0.00 H new ATOM 379 N LYS A 23 -0.208 -10.275 -0.642 1.00 0.00 N ATOM 380 CA LYS A 23 -1.156 -9.499 0.148 1.00 0.00 C ATOM 381 C LYS A 23 -0.693 -9.399 1.597 1.00 0.00 C ATOM 382 O LYS A 23 -0.808 -8.347 2.225 1.00 0.00 O ATOM 383 CB LYS A 23 -2.546 -10.136 0.085 1.00 0.00 C ATOM 384 CG LYS A 23 -3.393 -9.635 -1.073 1.00 0.00 C ATOM 385 CD LYS A 23 -4.871 -9.922 -0.851 1.00 0.00 C ATOM 386 CE LYS A 23 -5.380 -10.995 -1.799 1.00 0.00 C ATOM 387 NZ LYS A 23 -6.810 -11.323 -1.550 1.00 0.00 N ATOM 0 H LYS A 23 -0.609 -11.097 -1.094 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.208 -8.494 -0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.437 -11.218 0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.070 -9.938 1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.244 -8.562 -1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.064 -10.110 -1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.030 -10.241 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.446 -9.007 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.259 -10.657 -2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.776 -11.895 -1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.282 -11.526 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.872 -12.157 -0.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.276 -10.516 -1.089 1.00 0.00 H new ATOM 401 N ASP A 24 -0.163 -10.500 2.119 1.00 0.00 N ATOM 402 CA ASP A 24 0.325 -10.533 3.492 1.00 0.00 C ATOM 403 C ASP A 24 1.502 -9.579 3.663 1.00 0.00 C ATOM 404 O ASP A 24 1.643 -8.929 4.699 1.00 0.00 O ATOM 405 CB ASP A 24 0.741 -11.954 3.876 1.00 0.00 C ATOM 406 CG ASP A 24 -0.392 -12.738 4.506 1.00 0.00 C ATOM 407 OD1 ASP A 24 -0.910 -12.297 5.553 1.00 0.00 O ATOM 408 OD2 ASP A 24 -0.761 -13.795 3.953 1.00 0.00 O ATOM 0 H ASP A 24 -0.061 -11.380 1.613 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.482 -10.213 4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.092 -12.479 2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.579 -11.909 4.572 1.00 0.00 H new ATOM 413 N TYR A 25 2.342 -9.499 2.635 1.00 0.00 N ATOM 414 CA TYR A 25 3.504 -8.621 2.669 1.00 0.00 C ATOM 415 C TYR A 25 3.073 -7.164 2.799 1.00 0.00 C ATOM 416 O TYR A 25 3.656 -6.402 3.571 1.00 0.00 O ATOM 417 CB TYR A 25 4.348 -8.806 1.406 1.00 0.00 C ATOM 418 CG TYR A 25 5.834 -8.673 1.646 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.373 -7.496 2.149 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.699 -9.725 1.369 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.732 -7.370 2.372 1.00 0.00 C ATOM 422 CE2 TYR A 25 8.058 -9.607 1.589 1.00 0.00 C ATOM 423 CZ TYR A 25 8.570 -8.428 2.090 1.00 0.00 C ATOM 424 OH TYR A 25 9.923 -8.307 2.308 1.00 0.00 O ATOM 0 H TYR A 25 2.239 -10.031 1.771 1.00 0.00 H new ATOM 0 HA TYR A 25 4.106 -8.885 3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.143 -9.790 0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.041 -8.070 0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.720 -6.665 2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.303 -10.649 0.976 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.135 -6.448 2.765 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.717 -10.434 1.370 1.00 0.00 H new ATOM 0 HH TYR A 25 10.370 -9.143 2.059 1.00 0.00 H new ATOM 434 N LEU A 26 2.047 -6.785 2.045 1.00 0.00 N ATOM 435 CA LEU A 26 1.537 -5.417 2.084 1.00 0.00 C ATOM 436 C LEU A 26 1.036 -5.077 3.482 1.00 0.00 C ATOM 437 O LEU A 26 1.362 -4.026 4.033 1.00 0.00 O ATOM 438 CB LEU A 26 0.404 -5.220 1.069 1.00 0.00 C ATOM 439 CG LEU A 26 0.500 -6.069 -0.201 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.563 -5.646 -1.204 1.00 0.00 C ATOM 441 CD2 LEU A 26 1.890 -5.965 -0.816 1.00 0.00 C ATOM 0 H LEU A 26 1.553 -7.403 1.401 1.00 0.00 H new ATOM 0 HA LEU A 26 2.357 -4.749 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.543 -5.440 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.377 -4.169 0.781 1.00 0.00 H new ATOM 0 HG LEU A 26 0.325 -7.111 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.481 -6.259 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.551 -5.777 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.419 -4.598 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.936 -6.576 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.098 -4.926 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.632 -6.318 -0.100 1.00 0.00 H new ATOM 453 N TYR A 27 0.244 -5.978 4.046 1.00 0.00 N ATOM 454 CA TYR A 27 -0.308 -5.786 5.383 1.00 0.00 C ATOM 455 C TYR A 27 0.807 -5.589 6.405 1.00 0.00 C ATOM 456 O TYR A 27 0.660 -4.823 7.360 1.00 0.00 O ATOM 457 CB TYR A 27 -1.175 -6.982 5.778 1.00 0.00 C ATOM 458 CG TYR A 27 -2.620 -6.847 5.352 1.00 0.00 C ATOM 459 CD1 TYR A 27 -2.952 -6.557 4.035 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.652 -7.011 6.268 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.272 -6.433 3.643 1.00 0.00 C ATOM 462 CE2 TYR A 27 -4.973 -6.890 5.884 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.278 -6.601 4.571 1.00 0.00 C ATOM 464 OH TYR A 27 -6.593 -6.478 4.185 1.00 0.00 O ATOM 0 H TYR A 27 -0.032 -6.852 3.598 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.928 -4.889 5.369 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.757 -7.886 5.335 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.134 -7.109 6.860 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.166 -6.426 3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.417 -7.237 7.298 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.514 -6.206 2.615 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.763 -7.021 6.609 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.176 -6.627 4.958 1.00 0.00 H new ATOM 474 N ASP A 28 1.920 -6.284 6.199 1.00 0.00 N ATOM 475 CA ASP A 28 3.061 -6.186 7.101 1.00 0.00 C ATOM 476 C ASP A 28 3.738 -4.824 6.972 1.00 0.00 C ATOM 477 O ASP A 28 4.146 -4.226 7.967 1.00 0.00 O ATOM 478 CB ASP A 28 4.068 -7.301 6.806 1.00 0.00 C ATOM 479 CG ASP A 28 3.999 -8.423 7.823 1.00 0.00 C ATOM 480 OD1 ASP A 28 3.678 -8.143 8.997 1.00 0.00 O ATOM 481 OD2 ASP A 28 4.266 -9.584 7.445 1.00 0.00 O ATOM 0 H ASP A 28 2.056 -6.922 5.415 1.00 0.00 H new ATOM 0 HA ASP A 28 2.698 -6.296 8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.879 -7.704 5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.075 -6.884 6.796 1.00 0.00 H new ATOM 486 N VAL A 29 3.850 -4.339 5.739 1.00 0.00 N ATOM 487 CA VAL A 29 4.474 -3.049 5.479 1.00 0.00 C ATOM 488 C VAL A 29 3.704 -1.921 6.157 1.00 0.00 C ATOM 489 O VAL A 29 4.296 -1.023 6.756 1.00 0.00 O ATOM 490 CB VAL A 29 4.562 -2.759 3.968 1.00 0.00 C ATOM 491 CG1 VAL A 29 5.403 -1.518 3.708 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.122 -3.962 3.224 1.00 0.00 C ATOM 0 H VAL A 29 3.516 -4.821 4.905 1.00 0.00 H new ATOM 0 HA VAL A 29 5.482 -3.098 5.890 1.00 0.00 H new ATOM 0 HB VAL A 29 3.556 -2.569 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.453 -1.330 2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.950 -0.661 4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.410 -1.673 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.176 -3.738 2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.120 -4.189 3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.471 -4.822 3.381 1.00 0.00 H new ATOM 502 N LEU A 30 2.380 -1.975 6.060 1.00 0.00 N ATOM 503 CA LEU A 30 1.526 -0.959 6.664 1.00 0.00 C ATOM 504 C LEU A 30 1.515 -1.092 8.183 1.00 0.00 C ATOM 505 O LEU A 30 1.523 -0.096 8.904 1.00 0.00 O ATOM 506 CB LEU A 30 0.101 -1.071 6.118 1.00 0.00 C ATOM 507 CG LEU A 30 -0.116 -0.450 4.737 1.00 0.00 C ATOM 508 CD1 LEU A 30 -1.290 -1.112 4.032 1.00 0.00 C ATOM 509 CD2 LEU A 30 -0.341 1.049 4.858 1.00 0.00 C ATOM 0 H LEU A 30 1.875 -2.712 5.568 1.00 0.00 H new ATOM 0 HA LEU A 30 1.929 0.020 6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.172 -2.125 6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.580 -0.596 6.824 1.00 0.00 H new ATOM 0 HG LEU A 30 0.780 -0.617 4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.429 -0.657 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.090 -2.177 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.194 -0.977 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.494 1.475 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.221 1.236 5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.530 1.511 5.321 1.00 0.00 H new ATOM 521 N ARG A 31 1.496 -2.332 8.663 1.00 0.00 N ATOM 522 CA ARG A 31 1.484 -2.596 10.097 1.00 0.00 C ATOM 523 C ARG A 31 2.721 -2.010 10.767 1.00 0.00 C ATOM 524 O ARG A 31 2.653 -1.505 11.888 1.00 0.00 O ATOM 525 CB ARG A 31 1.410 -4.101 10.360 1.00 0.00 C ATOM 526 CG ARG A 31 1.024 -4.451 11.788 1.00 0.00 C ATOM 527 CD ARG A 31 1.025 -5.955 12.015 1.00 0.00 C ATOM 528 NE ARG A 31 2.162 -6.384 12.827 1.00 0.00 N ATOM 529 CZ ARG A 31 2.255 -6.178 14.138 1.00 0.00 C ATOM 530 NH1 ARG A 31 1.284 -5.550 14.790 1.00 0.00 N ATOM 531 NH2 ARG A 31 3.323 -6.601 14.801 1.00 0.00 N ATOM 0 H ARG A 31 1.489 -3.169 8.080 1.00 0.00 H new ATOM 0 HA ARG A 31 0.602 -2.118 10.522 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.686 -4.545 9.677 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.378 -4.549 10.134 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.720 -3.977 12.480 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.034 -4.050 12.007 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.097 -6.248 12.506 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.052 -6.467 11.053 1.00 0.00 H new ATOM 0 HE ARG A 31 2.929 -6.870 12.361 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.460 -5.222 14.286 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.362 -5.395 15.795 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.073 -7.084 14.306 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.395 -6.443 15.806 1.00 0.00 H new ATOM 545 N MET A 32 3.850 -2.080 10.073 1.00 0.00 N ATOM 546 CA MET A 32 5.105 -1.555 10.598 1.00 0.00 C ATOM 547 C MET A 32 5.231 -0.063 10.310 1.00 0.00 C ATOM 548 O MET A 32 5.844 0.680 11.077 1.00 0.00 O ATOM 549 CB MET A 32 6.292 -2.307 9.992 1.00 0.00 C ATOM 550 CG MET A 32 6.828 -3.418 10.881 1.00 0.00 C ATOM 551 SD MET A 32 7.882 -2.800 12.206 1.00 0.00 S ATOM 552 CE MET A 32 7.953 -4.231 13.279 1.00 0.00 C ATOM 0 H MET A 32 3.923 -2.496 9.144 1.00 0.00 H new ATOM 0 HA MET A 32 5.108 -1.700 11.678 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.991 -2.733 9.035 1.00 0.00 H new ATOM 0 HB3 MET A 32 7.094 -1.598 9.788 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.992 -3.967 11.314 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.393 -4.124 10.272 1.00 0.00 H new ATOM 0 HE1 MET A 32 8.572 -4.004 14.147 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.946 -4.489 13.608 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.384 -5.072 12.736 1.00 0.00 H new ATOM 562 N TYR A 33 4.644 0.371 9.199 1.00 0.00 N ATOM 563 CA TYR A 33 4.687 1.775 8.807 1.00 0.00 C ATOM 564 C TYR A 33 4.002 2.650 9.853 1.00 0.00 C ATOM 565 O TYR A 33 4.407 3.789 10.085 1.00 0.00 O ATOM 566 CB TYR A 33 4.019 1.964 7.443 1.00 0.00 C ATOM 567 CG TYR A 33 3.922 3.408 7.004 1.00 0.00 C ATOM 568 CD1 TYR A 33 5.039 4.235 7.019 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.714 3.944 6.578 1.00 0.00 C ATOM 570 CE1 TYR A 33 4.953 5.555 6.617 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.621 5.263 6.176 1.00 0.00 C ATOM 572 CZ TYR A 33 3.743 6.064 6.198 1.00 0.00 C ATOM 573 OH TYR A 33 3.654 7.376 5.799 1.00 0.00 O ATOM 0 H TYR A 33 4.132 -0.231 8.554 1.00 0.00 H new ATOM 0 HA TYR A 33 5.731 2.079 8.735 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.579 1.404 6.694 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.017 1.537 7.478 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.988 3.841 7.350 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.833 3.320 6.561 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.830 6.185 6.631 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.674 5.664 5.846 1.00 0.00 H new ATOM 0 HH TYR A 33 3.415 7.936 6.567 1.00 0.00 H new ATOM 583 N HIS A 34 2.962 2.111 10.480 1.00 0.00 N ATOM 584 CA HIS A 34 2.220 2.845 11.500 1.00 0.00 C ATOM 585 C HIS A 34 3.018 2.934 12.797 1.00 0.00 C ATOM 586 O HIS A 34 3.083 3.990 13.426 1.00 0.00 O ATOM 587 CB HIS A 34 0.872 2.170 11.762 1.00 0.00 C ATOM 588 CG HIS A 34 -0.184 2.538 10.767 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.367 3.153 11.117 1.00 0.00 N ATOM 590 CD2 HIS A 34 -0.230 2.376 9.422 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.097 3.352 10.032 1.00 0.00 C ATOM 592 NE2 HIS A 34 -1.429 2.890 8.992 1.00 0.00 N ATOM 0 H HIS A 34 2.614 1.169 10.300 1.00 0.00 H new ATOM 0 HA HIS A 34 2.048 3.856 11.132 1.00 0.00 H new ATOM 0 HB2 HIS A 34 1.008 1.089 11.752 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.528 2.439 12.761 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.533 1.927 8.804 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.073 3.814 10.002 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -1.751 2.911 8.024 1.00 0.00 H new ATOM 601 N GLN A 35 3.624 1.819 13.191 1.00 0.00 N ATOM 602 CA GLN A 35 4.417 1.772 14.415 1.00 0.00 C ATOM 603 C GLN A 35 5.758 2.473 14.224 1.00 0.00 C ATOM 604 O GLN A 35 6.237 3.175 15.115 1.00 0.00 O ATOM 605 CB GLN A 35 4.640 0.320 14.846 1.00 0.00 C ATOM 606 CG GLN A 35 3.813 -0.090 16.053 1.00 0.00 C ATOM 607 CD GLN A 35 4.473 0.284 17.366 1.00 0.00 C ATOM 608 OE1 GLN A 35 4.482 1.450 17.760 1.00 0.00 O ATOM 609 NE2 GLN A 35 5.032 -0.707 18.051 1.00 0.00 N ATOM 0 H GLN A 35 3.582 0.936 12.681 1.00 0.00 H new ATOM 0 HA GLN A 35 3.866 2.295 15.197 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.401 -0.339 14.011 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.696 0.175 15.074 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.833 0.384 15.995 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.648 -1.167 16.027 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.001 -1.659 17.687 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.492 -0.516 18.941 1.00 0.00 H new ATOM 618 N THR A 36 6.357 2.278 13.055 1.00 0.00 N ATOM 619 CA THR A 36 7.643 2.891 12.743 1.00 0.00 C ATOM 620 C THR A 36 7.470 4.355 12.352 1.00 0.00 C ATOM 621 O THR A 36 8.256 5.213 12.751 1.00 0.00 O ATOM 622 CB THR A 36 8.334 2.129 11.612 1.00 0.00 C ATOM 623 OG1 THR A 36 7.623 2.280 10.397 1.00 0.00 O ATOM 624 CG2 THR A 36 8.468 0.646 11.885 1.00 0.00 C ATOM 0 H THR A 36 5.973 1.700 12.307 1.00 0.00 H new ATOM 0 HA THR A 36 8.264 2.844 13.637 1.00 0.00 H new ATOM 0 HB THR A 36 9.332 2.561 11.541 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.700 1.972 10.517 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.967 0.165 11.044 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.056 0.494 12.790 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.478 0.210 12.018 1.00 0.00 H new ATOM 632 N MET A 37 6.433 4.633 11.567 1.00 0.00 N ATOM 633 CA MET A 37 6.156 5.994 11.120 1.00 0.00 C ATOM 634 C MET A 37 7.304 6.531 10.270 1.00 0.00 C ATOM 635 O MET A 37 7.941 7.525 10.622 1.00 0.00 O ATOM 636 CB MET A 37 5.919 6.910 12.323 1.00 0.00 C ATOM 637 CG MET A 37 4.860 7.974 12.078 1.00 0.00 C ATOM 638 SD MET A 37 3.301 7.610 12.907 1.00 0.00 S ATOM 639 CE MET A 37 2.528 6.521 11.714 1.00 0.00 C ATOM 0 H MET A 37 5.772 3.935 11.228 1.00 0.00 H new ATOM 0 HA MET A 37 5.255 5.974 10.507 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.622 6.303 13.178 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.857 7.397 12.589 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.233 8.938 12.423 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.684 8.065 11.006 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.611 6.111 12.136 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.292 7.081 10.809 1.00 0.00 H new ATOM 0 HE3 MET A 37 3.210 5.707 11.469 1.00 0.00 H new ATOM 649 N ASP A 38 7.561 5.868 9.147 1.00 0.00 N ATOM 650 CA ASP A 38 8.631 6.280 8.246 1.00 0.00 C ATOM 651 C ASP A 38 8.296 5.914 6.803 1.00 0.00 C ATOM 652 O ASP A 38 8.327 4.743 6.426 1.00 0.00 O ATOM 653 CB ASP A 38 9.953 5.628 8.660 1.00 0.00 C ATOM 654 CG ASP A 38 10.925 6.626 9.257 1.00 0.00 C ATOM 655 OD1 ASP A 38 11.032 7.747 8.718 1.00 0.00 O ATOM 656 OD2 ASP A 38 11.582 6.285 10.264 1.00 0.00 O ATOM 0 H ASP A 38 7.044 5.044 8.840 1.00 0.00 H new ATOM 0 HA ASP A 38 8.734 7.363 8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.755 4.839 9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.410 5.155 7.791 1.00 0.00 H new ATOM 661 N VAL A 39 7.975 6.924 6.002 1.00 0.00 N ATOM 662 CA VAL A 39 7.634 6.710 4.601 1.00 0.00 C ATOM 663 C VAL A 39 8.779 6.036 3.853 1.00 0.00 C ATOM 664 O VAL A 39 8.554 5.229 2.951 1.00 0.00 O ATOM 665 CB VAL A 39 7.289 8.036 3.898 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.740 7.776 2.503 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.297 8.838 4.728 1.00 0.00 C ATOM 0 H VAL A 39 7.944 7.899 6.299 1.00 0.00 H new ATOM 0 HA VAL A 39 6.759 6.060 4.585 1.00 0.00 H new ATOM 0 HB VAL A 39 8.203 8.621 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.502 8.725 2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.487 7.247 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.837 7.169 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.065 9.772 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.383 8.260 4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.732 9.058 5.703 1.00 0.00 H new ATOM 677 N ALA A 40 10.007 6.373 4.234 1.00 0.00 N ATOM 678 CA ALA A 40 11.189 5.799 3.598 1.00 0.00 C ATOM 679 C ALA A 40 11.176 4.278 3.687 1.00 0.00 C ATOM 680 O ALA A 40 11.489 3.588 2.716 1.00 0.00 O ATOM 681 CB ALA A 40 12.452 6.357 4.238 1.00 0.00 C ATOM 0 H ALA A 40 10.210 7.040 4.979 1.00 0.00 H new ATOM 0 HA ALA A 40 11.176 6.074 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.327 5.922 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.473 7.440 4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.462 6.109 5.299 1.00 0.00 H new ATOM 687 N VAL A 41 10.812 3.760 4.855 1.00 0.00 N ATOM 688 CA VAL A 41 10.757 2.318 5.068 1.00 0.00 C ATOM 689 C VAL A 41 9.557 1.704 4.356 1.00 0.00 C ATOM 690 O VAL A 41 9.632 0.591 3.837 1.00 0.00 O ATOM 691 CB VAL A 41 10.682 1.973 6.567 1.00 0.00 C ATOM 692 CG1 VAL A 41 10.802 0.471 6.777 1.00 0.00 C ATOM 693 CG2 VAL A 41 11.761 2.715 7.343 1.00 0.00 C ATOM 0 H VAL A 41 10.551 4.317 5.669 1.00 0.00 H new ATOM 0 HA VAL A 41 11.675 1.902 4.654 1.00 0.00 H new ATOM 0 HB VAL A 41 9.711 2.293 6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.747 0.247 7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.989 -0.035 6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.757 0.124 6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.691 2.458 8.400 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.743 2.430 6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.623 3.789 7.221 1.00 0.00 H new ATOM 703 N LEU A 42 8.450 2.438 4.339 1.00 0.00 N ATOM 704 CA LEU A 42 7.229 1.967 3.693 1.00 0.00 C ATOM 705 C LEU A 42 7.466 1.681 2.213 1.00 0.00 C ATOM 706 O LEU A 42 7.150 0.598 1.723 1.00 0.00 O ATOM 707 CB LEU A 42 6.113 3.001 3.852 1.00 0.00 C ATOM 708 CG LEU A 42 4.756 2.581 3.287 1.00 0.00 C ATOM 709 CD1 LEU A 42 4.077 1.587 4.217 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.871 3.798 3.065 1.00 0.00 C ATOM 0 H LEU A 42 8.372 3.362 4.765 1.00 0.00 H new ATOM 0 HA LEU A 42 6.929 1.038 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.994 3.225 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.422 3.925 3.364 1.00 0.00 H new ATOM 0 HG LEU A 42 4.918 2.095 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.112 1.299 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.705 0.702 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.927 2.047 5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.909 3.480 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.715 4.313 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.353 4.475 2.360 1.00 0.00 H new ATOM 722 N VAL A 43 8.024 2.660 1.508 1.00 0.00 N ATOM 723 CA VAL A 43 8.301 2.512 0.085 1.00 0.00 C ATOM 724 C VAL A 43 9.250 1.348 -0.174 1.00 0.00 C ATOM 725 O VAL A 43 9.088 0.605 -1.141 1.00 0.00 O ATOM 726 CB VAL A 43 8.910 3.798 -0.507 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.015 3.694 -2.020 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.090 5.014 -0.101 1.00 0.00 C ATOM 0 H VAL A 43 8.293 3.563 1.899 1.00 0.00 H new ATOM 0 HA VAL A 43 7.346 2.313 -0.402 1.00 0.00 H new ATOM 0 HB VAL A 43 9.916 3.919 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.447 4.612 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.651 2.849 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.022 3.547 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.535 5.912 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.070 4.904 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.077 5.097 0.986 1.00 0.00 H new ATOM 738 N GLY A 44 10.245 1.197 0.695 1.00 0.00 N ATOM 739 CA GLY A 44 11.208 0.122 0.541 1.00 0.00 C ATOM 740 C GLY A 44 10.557 -1.248 0.550 1.00 0.00 C ATOM 741 O GLY A 44 10.681 -2.007 -0.411 1.00 0.00 O ATOM 0 H GLY A 44 10.401 1.800 1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.751 0.256 -0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.941 0.177 1.346 1.00 0.00 H new ATOM 745 N ASP A 45 9.866 -1.566 1.639 1.00 0.00 N ATOM 746 CA ASP A 45 9.195 -2.854 1.771 1.00 0.00 C ATOM 747 C ASP A 45 8.172 -3.056 0.657 1.00 0.00 C ATOM 748 O ASP A 45 8.153 -4.098 0.001 1.00 0.00 O ATOM 749 CB ASP A 45 8.508 -2.957 3.134 1.00 0.00 C ATOM 750 CG ASP A 45 9.487 -3.242 4.256 1.00 0.00 C ATOM 751 OD1 ASP A 45 10.675 -2.883 4.112 1.00 0.00 O ATOM 752 OD2 ASP A 45 9.066 -3.824 5.278 1.00 0.00 O ATOM 0 H ASP A 45 9.756 -0.949 2.444 1.00 0.00 H new ATOM 0 HA ASP A 45 9.950 -3.636 1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.981 -2.026 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.758 -3.747 3.101 1.00 0.00 H new ATOM 757 N LEU A 46 7.322 -2.056 0.452 1.00 0.00 N ATOM 758 CA LEU A 46 6.293 -2.125 -0.581 1.00 0.00 C ATOM 759 C LEU A 46 6.916 -2.339 -1.959 1.00 0.00 C ATOM 760 O LEU A 46 6.324 -2.986 -2.824 1.00 0.00 O ATOM 761 CB LEU A 46 5.451 -0.848 -0.577 1.00 0.00 C ATOM 762 CG LEU A 46 4.106 -0.961 0.142 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.679 0.389 0.696 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.047 -1.515 -0.798 1.00 0.00 C ATOM 0 H LEU A 46 7.325 -1.188 0.987 1.00 0.00 H new ATOM 0 HA LEU A 46 5.648 -2.976 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.030 -0.051 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.270 -0.547 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 46 4.219 -1.651 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.720 0.287 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.428 0.745 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.583 1.104 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.096 -1.589 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.937 -0.850 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.349 -2.504 -1.143 1.00 0.00 H new ATOM 776 N LYS A 47 8.109 -1.790 -2.157 1.00 0.00 N ATOM 777 CA LYS A 47 8.807 -1.923 -3.430 1.00 0.00 C ATOM 778 C LYS A 47 9.361 -3.333 -3.605 1.00 0.00 C ATOM 779 O LYS A 47 9.279 -3.913 -4.688 1.00 0.00 O ATOM 780 CB LYS A 47 9.940 -0.899 -3.524 1.00 0.00 C ATOM 781 CG LYS A 47 9.519 0.419 -4.155 1.00 0.00 C ATOM 782 CD LYS A 47 9.449 0.315 -5.671 1.00 0.00 C ATOM 783 CE LYS A 47 10.583 1.079 -6.337 1.00 0.00 C ATOM 784 NZ LYS A 47 10.725 0.720 -7.775 1.00 0.00 N ATOM 0 H LYS A 47 8.612 -1.249 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 47 8.090 -1.735 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.328 -0.706 -2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.757 -1.326 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.546 0.716 -3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.226 1.200 -3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.493 -0.733 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.493 0.705 -6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.402 2.150 -6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.517 0.869 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.508 1.262 -8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.923 -0.297 -7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.843 0.944 -8.278 1.00 0.00 H new ATOM 798 N LEU A 48 9.926 -3.878 -2.531 1.00 0.00 N ATOM 799 CA LEU A 48 10.495 -5.223 -2.564 1.00 0.00 C ATOM 800 C LEU A 48 9.453 -6.244 -3.005 1.00 0.00 C ATOM 801 O LEU A 48 9.679 -7.010 -3.942 1.00 0.00 O ATOM 802 CB LEU A 48 11.042 -5.602 -1.186 1.00 0.00 C ATOM 803 CG LEU A 48 12.255 -4.792 -0.724 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.322 -4.751 0.795 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.536 -5.374 -1.300 1.00 0.00 C ATOM 0 H LEU A 48 10.002 -3.410 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 48 11.311 -5.227 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.245 -5.485 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.313 -6.658 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 48 12.147 -3.771 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.191 -4.171 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.417 -4.287 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.406 -5.766 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.388 -4.785 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.651 -6.405 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.489 -5.350 -2.389 1.00 0.00 H new ATOM 817 N VAL A 49 8.309 -6.247 -2.328 1.00 0.00 N ATOM 818 CA VAL A 49 7.232 -7.172 -2.654 1.00 0.00 C ATOM 819 C VAL A 49 6.728 -6.931 -4.072 1.00 0.00 C ATOM 820 O VAL A 49 6.551 -7.866 -4.853 1.00 0.00 O ATOM 821 CB VAL A 49 6.062 -7.046 -1.649 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.142 -5.881 -1.990 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.279 -8.349 -1.575 1.00 0.00 C ATOM 0 H VAL A 49 8.105 -5.619 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 49 7.634 -8.183 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 49 6.493 -6.841 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.335 -5.829 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.710 -4.951 -1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.722 -6.028 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.460 -8.242 -0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.876 -8.587 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.940 -9.152 -1.249 1.00 0.00 H new ATOM 833 N ILE A 50 6.506 -5.664 -4.392 1.00 0.00 N ATOM 834 CA ILE A 50 6.029 -5.277 -5.713 1.00 0.00 C ATOM 835 C ILE A 50 7.043 -5.670 -6.790 1.00 0.00 C ATOM 836 O ILE A 50 6.950 -6.746 -7.380 1.00 0.00 O ATOM 837 CB ILE A 50 5.743 -3.756 -5.772 1.00 0.00 C ATOM 838 CG1 ILE A 50 4.547 -3.412 -4.883 1.00 0.00 C ATOM 839 CG2 ILE A 50 5.491 -3.299 -7.204 1.00 0.00 C ATOM 840 CD1 ILE A 50 4.455 -1.942 -4.537 1.00 0.00 C ATOM 0 H ILE A 50 6.649 -4.883 -3.752 1.00 0.00 H new ATOM 0 HA ILE A 50 5.097 -5.809 -5.904 1.00 0.00 H new ATOM 0 HB ILE A 50 6.623 -3.229 -5.403 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.630 -3.716 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.611 -3.991 -3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.293 -2.227 -7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.369 -3.512 -7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.630 -3.831 -7.609 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.584 -1.771 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.356 -1.637 -4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.359 -1.358 -5.452 1.00 0.00 H new ATOM 852 N ASN A 51 8.014 -4.795 -7.030 1.00 0.00 N ATOM 853 CA ASN A 51 9.058 -5.045 -8.022 1.00 0.00 C ATOM 854 C ASN A 51 8.474 -5.433 -9.381 1.00 0.00 C ATOM 855 O ASN A 51 9.126 -6.117 -10.169 1.00 0.00 O ATOM 856 CB ASN A 51 9.999 -6.147 -7.530 1.00 0.00 C ATOM 857 CG ASN A 51 11.229 -5.591 -6.838 1.00 0.00 C ATOM 858 OD1 ASN A 51 11.941 -4.753 -7.391 1.00 0.00 O ATOM 859 ND2 ASN A 51 11.485 -6.058 -5.622 1.00 0.00 N ATOM 0 H ASN A 51 8.101 -3.900 -6.548 1.00 0.00 H new ATOM 0 HA ASN A 51 9.615 -4.117 -8.151 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.462 -6.799 -6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.308 -6.762 -8.376 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.299 -5.722 -5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.867 -6.753 -5.202 1.00 0.00 H new ATOM 866 N GLU A 52 7.252 -4.988 -9.652 1.00 0.00 N ATOM 867 CA GLU A 52 6.597 -5.289 -10.921 1.00 0.00 C ATOM 868 C GLU A 52 5.715 -4.124 -11.369 1.00 0.00 C ATOM 869 O GLU A 52 4.792 -3.730 -10.657 1.00 0.00 O ATOM 870 CB GLU A 52 5.752 -6.560 -10.797 1.00 0.00 C ATOM 871 CG GLU A 52 6.568 -7.842 -10.841 1.00 0.00 C ATOM 872 CD GLU A 52 6.686 -8.409 -12.242 1.00 0.00 C ATOM 873 OE1 GLU A 52 6.604 -7.624 -13.209 1.00 0.00 O ATOM 874 OE2 GLU A 52 6.861 -9.639 -12.370 1.00 0.00 O ATOM 0 H GLU A 52 6.696 -4.420 -9.013 1.00 0.00 H new ATOM 0 HA GLU A 52 7.372 -5.447 -11.671 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.195 -6.526 -9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.019 -6.578 -11.603 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.565 -7.647 -10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.107 -8.585 -10.190 1.00 0.00 H new ATOM 881 N PRO A 53 5.985 -3.557 -12.560 1.00 0.00 N ATOM 882 CA PRO A 53 5.204 -2.434 -13.090 1.00 0.00 C ATOM 883 C PRO A 53 3.703 -2.705 -13.064 1.00 0.00 C ATOM 884 O PRO A 53 2.896 -1.777 -13.020 1.00 0.00 O ATOM 885 CB PRO A 53 5.698 -2.308 -14.533 1.00 0.00 C ATOM 886 CG PRO A 53 7.079 -2.865 -14.509 1.00 0.00 C ATOM 887 CD PRO A 53 7.065 -3.962 -13.479 1.00 0.00 C ATOM 0 HA PRO A 53 5.339 -1.530 -12.497 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.059 -2.863 -15.220 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.695 -1.269 -14.863 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.361 -3.252 -15.488 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.806 -2.095 -14.250 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.865 -4.934 -13.930 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.022 -4.041 -12.964 1.00 0.00 H new ATOM 895 N SER A 54 3.336 -3.981 -13.091 1.00 0.00 N ATOM 896 CA SER A 54 1.930 -4.372 -13.070 1.00 0.00 C ATOM 897 C SER A 54 1.288 -4.035 -11.727 1.00 0.00 C ATOM 898 O SER A 54 0.081 -3.807 -11.645 1.00 0.00 O ATOM 899 CB SER A 54 1.789 -5.867 -13.354 1.00 0.00 C ATOM 900 OG SER A 54 1.600 -6.108 -14.737 1.00 0.00 O ATOM 0 H SER A 54 3.991 -4.762 -13.127 1.00 0.00 H new ATOM 0 HA SER A 54 1.414 -3.811 -13.849 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.680 -6.391 -13.009 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.945 -6.269 -12.793 1.00 0.00 H new ATOM 0 HG SER A 54 1.514 -7.072 -14.892 1.00 0.00 H new ATOM 906 N ARG A 55 2.099 -4.012 -10.673 1.00 0.00 N ATOM 907 CA ARG A 55 1.607 -3.711 -9.333 1.00 0.00 C ATOM 908 C ARG A 55 1.713 -2.219 -9.016 1.00 0.00 C ATOM 909 O ARG A 55 1.225 -1.763 -7.982 1.00 0.00 O ATOM 910 CB ARG A 55 2.379 -4.515 -8.283 1.00 0.00 C ATOM 911 CG ARG A 55 2.755 -5.919 -8.732 1.00 0.00 C ATOM 912 CD ARG A 55 3.836 -6.516 -7.846 1.00 0.00 C ATOM 913 NE ARG A 55 4.033 -7.940 -8.105 1.00 0.00 N ATOM 914 CZ ARG A 55 3.231 -8.896 -7.644 1.00 0.00 C ATOM 915 NH1 ARG A 55 2.178 -8.586 -6.899 1.00 0.00 N ATOM 916 NH2 ARG A 55 3.484 -10.167 -7.928 1.00 0.00 N ATOM 0 H ARG A 55 3.101 -4.198 -10.722 1.00 0.00 H new ATOM 0 HA ARG A 55 0.555 -3.993 -9.304 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.288 -3.973 -8.021 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.776 -4.583 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.872 -6.558 -8.711 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.104 -5.891 -9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.773 -5.985 -8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.567 -6.372 -6.800 1.00 0.00 H new ATOM 0 HE ARG A 55 4.833 -8.218 -8.673 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.980 -7.610 -6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.567 -9.323 -6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.293 -10.411 -8.499 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.870 -10.901 -7.575 1.00 0.00 H new ATOM 930 N LEU A 56 2.353 -1.458 -9.903 1.00 0.00 N ATOM 931 CA LEU A 56 2.519 -0.020 -9.700 1.00 0.00 C ATOM 932 C LEU A 56 1.191 0.648 -9.340 1.00 0.00 C ATOM 933 O LEU A 56 1.108 1.389 -8.361 1.00 0.00 O ATOM 934 CB LEU A 56 3.111 0.631 -10.954 1.00 0.00 C ATOM 935 CG LEU A 56 4.635 0.766 -10.955 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.132 1.196 -12.326 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.081 1.755 -9.889 1.00 0.00 C ATOM 0 H LEU A 56 2.764 -1.812 -10.767 1.00 0.00 H new ATOM 0 HA LEU A 56 3.207 0.121 -8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.813 0.046 -11.824 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.673 1.622 -11.071 1.00 0.00 H new ATOM 0 HG LEU A 56 5.068 -0.207 -10.724 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.218 1.287 -12.307 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.843 0.452 -13.068 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.692 2.158 -12.587 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.168 1.839 -9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.639 2.731 -10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.757 1.405 -8.909 1.00 0.00 H new ATOM 949 N PRO A 57 0.128 0.394 -10.128 1.00 0.00 N ATOM 950 CA PRO A 57 -1.193 0.977 -9.877 1.00 0.00 C ATOM 951 C PRO A 57 -1.653 0.783 -8.435 1.00 0.00 C ATOM 952 O PRO A 57 -2.473 1.547 -7.927 1.00 0.00 O ATOM 953 CB PRO A 57 -2.106 0.208 -10.834 1.00 0.00 C ATOM 954 CG PRO A 57 -1.213 -0.228 -11.942 1.00 0.00 C ATOM 955 CD PRO A 57 0.132 -0.479 -11.318 1.00 0.00 C ATOM 0 HA PRO A 57 -1.196 2.056 -10.033 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.569 -0.646 -10.339 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.915 0.839 -11.202 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.596 -1.130 -12.419 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.148 0.538 -12.715 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.259 -1.527 -11.047 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.944 -0.225 -11.999 1.00 0.00 H new ATOM 963 N LEU A 58 -1.119 -0.244 -7.779 1.00 0.00 N ATOM 964 CA LEU A 58 -1.476 -0.541 -6.396 1.00 0.00 C ATOM 965 C LEU A 58 -1.254 0.673 -5.497 1.00 0.00 C ATOM 966 O LEU A 58 -2.087 0.986 -4.645 1.00 0.00 O ATOM 967 CB LEU A 58 -0.657 -1.725 -5.880 1.00 0.00 C ATOM 968 CG LEU A 58 -1.146 -2.321 -4.557 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.703 -3.721 -4.770 1.00 0.00 C ATOM 970 CD2 LEU A 58 -0.019 -2.345 -3.533 1.00 0.00 C ATOM 0 H LEU A 58 -0.437 -0.885 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.535 -0.798 -6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.661 -2.508 -6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.378 -1.406 -5.757 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.947 -1.689 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.045 -4.126 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.540 -3.677 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.924 -4.364 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.385 -2.772 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.804 -2.952 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.332 -1.329 -3.354 1.00 0.00 H new ATOM 982 N PHE A 59 -0.128 1.354 -5.690 1.00 0.00 N ATOM 983 CA PHE A 59 0.206 2.533 -4.894 1.00 0.00 C ATOM 984 C PHE A 59 -0.958 3.520 -4.858 1.00 0.00 C ATOM 985 O PHE A 59 -1.139 4.249 -3.880 1.00 0.00 O ATOM 986 CB PHE A 59 1.448 3.222 -5.461 1.00 0.00 C ATOM 987 CG PHE A 59 2.710 2.425 -5.291 1.00 0.00 C ATOM 988 CD1 PHE A 59 2.989 1.790 -4.091 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.619 2.314 -6.331 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.152 1.059 -3.932 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.783 1.585 -6.178 1.00 0.00 C ATOM 992 CZ PHE A 59 5.049 0.957 -4.977 1.00 0.00 C ATOM 0 H PHE A 59 0.570 1.110 -6.392 1.00 0.00 H new ATOM 0 HA PHE A 59 0.410 2.202 -3.876 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.292 3.417 -6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.571 4.189 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.290 1.867 -3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.415 2.803 -7.272 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.358 0.569 -2.992 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.484 1.506 -6.996 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.958 0.387 -4.855 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.744 3.540 -5.930 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.888 4.440 -6.023 1.00 0.00 C ATOM 1004 C ASP A 60 -3.810 4.281 -4.821 1.00 0.00 C ATOM 1005 O ASP A 60 -4.146 5.255 -4.155 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.666 4.178 -7.314 1.00 0.00 C ATOM 1007 CG ASP A 60 -4.232 5.448 -7.917 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -3.444 6.382 -8.179 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -5.462 5.511 -8.126 1.00 0.00 O ATOM 0 H ASP A 60 -1.610 2.943 -6.746 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.511 5.463 -6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.010 3.696 -8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.480 3.482 -7.109 1.00 0.00 H new ATOM 1014 N ALA A 61 -4.214 3.045 -4.555 1.00 0.00 N ATOM 1015 CA ALA A 61 -5.100 2.745 -3.434 1.00 0.00 C ATOM 1016 C ALA A 61 -4.381 2.880 -2.091 1.00 0.00 C ATOM 1017 O ALA A 61 -5.018 3.077 -1.056 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.677 1.346 -3.586 1.00 0.00 C ATOM 0 H ALA A 61 -3.941 2.229 -5.103 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.911 3.473 -3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.337 1.131 -2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.243 1.285 -4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.866 0.618 -3.606 1.00 0.00 H new ATOM 1024 N ILE A 62 -3.056 2.772 -2.110 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.262 2.879 -0.888 1.00 0.00 C ATOM 1026 C ILE A 62 -2.228 4.313 -0.365 1.00 0.00 C ATOM 1027 O ILE A 62 -2.116 4.539 0.840 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.816 2.387 -1.110 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.822 0.960 -1.662 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -0.021 2.452 0.188 1.00 0.00 C ATOM 1031 CD1 ILE A 62 0.550 0.457 -2.054 1.00 0.00 C ATOM 0 H ILE A 62 -2.509 2.611 -2.956 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.745 2.243 -0.147 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.336 3.041 -1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.245 0.291 -0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.477 0.919 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.995 2.101 0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.008 3.481 0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.497 1.820 0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.469 -0.560 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.967 1.103 -2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.204 0.466 -1.182 1.00 0.00 H new ATOM 1043 N ARG A 63 -2.314 5.280 -1.272 1.00 0.00 N ATOM 1044 CA ARG A 63 -2.282 6.689 -0.888 1.00 0.00 C ATOM 1045 C ARG A 63 -3.501 7.070 -0.043 1.00 0.00 C ATOM 1046 O ARG A 63 -3.359 7.571 1.073 1.00 0.00 O ATOM 1047 CB ARG A 63 -2.210 7.575 -2.133 1.00 0.00 C ATOM 1048 CG ARG A 63 -0.794 7.974 -2.513 1.00 0.00 C ATOM 1049 CD ARG A 63 -0.765 9.320 -3.218 1.00 0.00 C ATOM 1050 NE ARG A 63 -1.293 9.237 -4.577 1.00 0.00 N ATOM 1051 CZ ARG A 63 -0.672 8.619 -5.579 1.00 0.00 C ATOM 1052 NH1 ARG A 63 0.499 8.029 -5.378 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -1.224 8.589 -6.784 1.00 0.00 N ATOM 0 H ARG A 63 -2.406 5.116 -2.275 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.391 6.847 -0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.668 7.049 -2.971 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.799 8.476 -1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.174 8.018 -1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.362 7.213 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.348 10.042 -2.646 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.259 9.691 -3.249 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.192 9.679 -4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.927 8.048 -4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.971 7.557 -6.149 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.125 9.040 -6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.748 8.115 -7.552 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.720 6.846 -0.571 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.969 7.174 0.125 1.00 0.00 C ATOM 1069 C PRO A 64 -5.935 6.860 1.619 1.00 0.00 C ATOM 1070 O PRO A 64 -6.223 7.726 2.446 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.982 6.281 -0.587 1.00 0.00 C ATOM 1072 CG PRO A 64 -6.482 6.199 -1.985 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.978 6.264 -1.901 1.00 0.00 C ATOM 0 HA PRO A 64 -6.190 8.241 0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.036 5.295 -0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.985 6.707 -0.548 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.805 5.273 -2.460 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.874 7.019 -2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.530 5.275 -1.998 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.560 6.883 -2.695 1.00 0.00 H new ATOM 1081 N LEU A 65 -5.579 5.627 1.962 1.00 0.00 N ATOM 1082 CA LEU A 65 -5.508 5.221 3.362 1.00 0.00 C ATOM 1083 C LEU A 65 -4.397 5.977 4.078 1.00 0.00 C ATOM 1084 O LEU A 65 -4.487 6.253 5.275 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.288 3.712 3.490 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.329 3.099 2.466 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -3.202 2.355 3.165 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -5.079 2.169 1.524 1.00 0.00 C ATOM 0 H LEU A 65 -5.336 4.895 1.295 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.461 5.465 3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.909 3.501 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.253 3.213 3.403 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.893 3.907 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.532 1.927 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.647 3.047 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.619 1.557 3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.382 1.742 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.544 1.367 2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.849 2.730 0.995 1.00 0.00 H new ATOM 1100 N ILE A 66 -3.351 6.308 3.333 1.00 0.00 N ATOM 1101 CA ILE A 66 -2.216 7.034 3.881 1.00 0.00 C ATOM 1102 C ILE A 66 -2.552 8.520 4.048 1.00 0.00 C ATOM 1103 O ILE A 66 -3.143 9.132 3.159 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.969 6.860 2.975 1.00 0.00 C ATOM 1105 CG1 ILE A 66 -0.049 5.779 3.545 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -0.211 8.169 2.810 1.00 0.00 C ATOM 1107 CD1 ILE A 66 0.775 5.071 2.491 1.00 0.00 C ATOM 0 H ILE A 66 -3.266 6.083 2.342 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.990 6.621 4.864 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.313 6.551 1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.621 6.232 4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.652 5.044 4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.656 8.009 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.865 8.913 2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.120 8.524 3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.404 4.318 2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.111 4.589 1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.404 5.795 1.974 1.00 0.00 H new ATOM 1119 N PRO A 67 -2.180 9.117 5.195 1.00 0.00 N ATOM 1120 CA PRO A 67 -2.445 10.531 5.476 1.00 0.00 C ATOM 1121 C PRO A 67 -2.017 11.448 4.332 1.00 0.00 C ATOM 1122 O PRO A 67 -1.173 11.086 3.513 1.00 0.00 O ATOM 1123 CB PRO A 67 -1.623 10.825 6.741 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.771 9.618 6.968 1.00 0.00 C ATOM 1125 CD PRO A 67 -1.477 8.469 6.308 1.00 0.00 C ATOM 0 HA PRO A 67 -3.512 10.716 5.602 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.010 11.716 6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.274 11.009 7.595 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.223 9.759 6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.638 9.431 8.034 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.776 7.711 5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.168 7.973 6.990 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.616 12.635 4.284 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.317 13.618 3.238 1.00 0.00 C ATOM 1135 C LEU A 68 -0.810 13.846 3.095 1.00 0.00 C ATOM 1136 O LEU A 68 -0.209 13.451 2.096 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.013 14.964 3.509 1.00 0.00 C ATOM 1138 CG LEU A 68 -3.790 15.078 4.826 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -2.846 15.040 6.020 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -4.611 16.357 4.842 1.00 0.00 C ATOM 0 H LEU A 68 -3.315 12.944 4.959 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.702 13.205 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.257 15.749 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.702 15.164 2.688 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.464 14.225 4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.422 15.123 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.296 14.099 6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.144 15.871 5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.158 16.426 5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.948 17.216 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.317 16.347 4.011 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.214 14.495 4.092 1.00 0.00 N ATOM 1153 CA LYS A 69 1.220 14.790 4.080 1.00 0.00 C ATOM 1154 C LYS A 69 2.029 13.592 3.593 1.00 0.00 C ATOM 1155 O LYS A 69 2.880 13.718 2.710 1.00 0.00 O ATOM 1156 CB LYS A 69 1.682 15.197 5.480 1.00 0.00 C ATOM 1157 CG LYS A 69 2.039 16.670 5.597 1.00 0.00 C ATOM 1158 CD LYS A 69 1.159 17.382 6.612 1.00 0.00 C ATOM 1159 CE LYS A 69 1.822 18.646 7.136 1.00 0.00 C ATOM 1160 NZ LYS A 69 1.258 19.068 8.447 1.00 0.00 N ATOM 0 H LYS A 69 -0.703 14.829 4.923 1.00 0.00 H new ATOM 0 HA LYS A 69 1.388 15.615 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.894 14.965 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.550 14.598 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.085 16.769 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.933 17.149 4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.204 17.635 6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.945 16.711 7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.894 18.477 7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.695 19.450 6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.737 19.933 8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.240 19.254 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.402 18.312 9.146 1.00 0.00 H new ATOM 1174 N HIS A 70 1.755 12.431 4.173 1.00 0.00 N ATOM 1175 CA HIS A 70 2.456 11.210 3.798 1.00 0.00 C ATOM 1176 C HIS A 70 2.095 10.796 2.376 1.00 0.00 C ATOM 1177 O HIS A 70 2.904 10.196 1.671 1.00 0.00 O ATOM 1178 CB HIS A 70 2.129 10.086 4.780 1.00 0.00 C ATOM 1179 CG HIS A 70 2.553 10.384 6.185 1.00 0.00 C ATOM 1180 ND1 HIS A 70 2.753 9.405 7.136 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.820 11.564 6.798 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.121 9.969 8.273 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.170 11.276 8.093 1.00 0.00 N ATOM 0 H HIS A 70 1.054 12.309 4.904 1.00 0.00 H new ATOM 0 HA HIS A 70 3.528 11.405 3.836 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.055 9.900 4.764 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.616 9.169 4.448 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.767 12.546 6.351 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.344 9.449 9.193 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.427 11.962 8.803 1.00 0.00 H new ATOM 1192 N GLN A 71 0.878 11.129 1.959 1.00 0.00 N ATOM 1193 CA GLN A 71 0.413 10.803 0.616 1.00 0.00 C ATOM 1194 C GLN A 71 1.285 11.493 -0.426 1.00 0.00 C ATOM 1195 O GLN A 71 1.833 10.850 -1.324 1.00 0.00 O ATOM 1196 CB GLN A 71 -1.049 11.224 0.443 1.00 0.00 C ATOM 1197 CG GLN A 71 -1.992 10.062 0.177 1.00 0.00 C ATOM 1198 CD GLN A 71 -3.263 10.492 -0.531 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -3.260 10.748 -1.735 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -4.357 10.573 0.217 1.00 0.00 N ATOM 0 H GLN A 71 0.196 11.625 2.532 1.00 0.00 H new ATOM 0 HA GLN A 71 0.485 9.725 0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.376 11.747 1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.119 11.933 -0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.479 9.314 -0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.251 9.585 1.122 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.312 10.351 1.212 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.242 10.857 -0.203 1.00 0.00 H new ATOM 1209 N VAL A 72 1.413 12.805 -0.290 1.00 0.00 N ATOM 1210 CA VAL A 72 2.222 13.598 -1.208 1.00 0.00 C ATOM 1211 C VAL A 72 3.658 13.093 -1.238 1.00 0.00 C ATOM 1212 O VAL A 72 4.233 12.890 -2.309 1.00 0.00 O ATOM 1213 CB VAL A 72 2.221 15.087 -0.816 1.00 0.00 C ATOM 1214 CG1 VAL A 72 2.926 15.920 -1.877 1.00 0.00 C ATOM 1215 CG2 VAL A 72 0.800 15.582 -0.597 1.00 0.00 C ATOM 0 H VAL A 72 0.965 13.346 0.450 1.00 0.00 H new ATOM 0 HA VAL A 72 1.778 13.493 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 72 2.767 15.196 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.915 16.969 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.957 15.582 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.411 15.806 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.820 16.636 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.226 15.459 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.333 15.006 0.202 1.00 0.00 H new ATOM 1225 N GLU A 73 4.232 12.884 -0.058 1.00 0.00 N ATOM 1226 CA GLU A 73 5.602 12.395 0.043 1.00 0.00 C ATOM 1227 C GLU A 73 5.709 10.982 -0.514 1.00 0.00 C ATOM 1228 O GLU A 73 6.702 10.633 -1.152 1.00 0.00 O ATOM 1229 CB GLU A 73 6.078 12.425 1.497 1.00 0.00 C ATOM 1230 CG GLU A 73 6.052 13.813 2.117 1.00 0.00 C ATOM 1231 CD GLU A 73 6.833 14.828 1.304 1.00 0.00 C ATOM 1232 OE1 GLU A 73 8.081 14.785 1.342 1.00 0.00 O ATOM 1233 OE2 GLU A 73 6.197 15.665 0.631 1.00 0.00 O ATOM 0 H GLU A 73 3.772 13.045 0.838 1.00 0.00 H new ATOM 0 HA GLU A 73 6.241 13.051 -0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.451 11.759 2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.094 12.033 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.018 14.146 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.464 13.765 3.125 1.00 0.00 H new ATOM 1240 N TYR A 74 4.677 10.176 -0.283 1.00 0.00 N ATOM 1241 CA TYR A 74 4.662 8.807 -0.786 1.00 0.00 C ATOM 1242 C TYR A 74 4.902 8.810 -2.288 1.00 0.00 C ATOM 1243 O TYR A 74 5.665 7.998 -2.812 1.00 0.00 O ATOM 1244 CB TYR A 74 3.328 8.131 -0.465 1.00 0.00 C ATOM 1245 CG TYR A 74 3.328 6.640 -0.717 1.00 0.00 C ATOM 1246 CD1 TYR A 74 4.035 5.777 0.112 1.00 0.00 C ATOM 1247 CD2 TYR A 74 2.621 6.095 -1.781 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.038 4.413 -0.115 1.00 0.00 C ATOM 1249 CE2 TYR A 74 2.619 4.733 -2.013 1.00 0.00 C ATOM 1250 CZ TYR A 74 3.328 3.897 -1.178 1.00 0.00 C ATOM 1251 OH TYR A 74 3.328 2.541 -1.406 1.00 0.00 O ATOM 0 H TYR A 74 3.847 10.444 0.245 1.00 0.00 H new ATOM 0 HA TYR A 74 5.457 8.244 -0.297 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.080 8.314 0.580 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.543 8.592 -1.064 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.591 6.178 0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.064 6.747 -2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.594 3.755 0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.064 4.325 -2.845 1.00 0.00 H new ATOM 0 HH TYR A 74 3.780 2.352 -2.255 1.00 0.00 H new ATOM 1261 N ASP A 75 4.254 9.747 -2.968 1.00 0.00 N ATOM 1262 CA ASP A 75 4.400 9.887 -4.410 1.00 0.00 C ATOM 1263 C ASP A 75 5.769 10.469 -4.751 1.00 0.00 C ATOM 1264 O ASP A 75 6.339 10.164 -5.798 1.00 0.00 O ATOM 1265 CB ASP A 75 3.290 10.780 -4.973 1.00 0.00 C ATOM 1266 CG ASP A 75 2.424 10.055 -5.985 1.00 0.00 C ATOM 1267 OD1 ASP A 75 2.907 9.073 -6.585 1.00 0.00 O ATOM 1268 OD2 ASP A 75 1.262 10.472 -6.176 1.00 0.00 O ATOM 0 H ASP A 75 3.620 10.423 -2.542 1.00 0.00 H new ATOM 0 HA ASP A 75 4.318 8.900 -4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.666 11.139 -4.155 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.736 11.657 -5.442 1.00 0.00 H new ATOM 1273 N GLN A 76 6.289 11.313 -3.860 1.00 0.00 N ATOM 1274 CA GLN A 76 7.590 11.938 -4.069 1.00 0.00 C ATOM 1275 C GLN A 76 8.706 10.899 -4.054 1.00 0.00 C ATOM 1276 O GLN A 76 9.725 11.057 -4.726 1.00 0.00 O ATOM 1277 CB GLN A 76 7.846 12.999 -2.996 1.00 0.00 C ATOM 1278 CG GLN A 76 8.257 14.349 -3.559 1.00 0.00 C ATOM 1279 CD GLN A 76 9.713 14.676 -3.285 1.00 0.00 C ATOM 1280 OE1 GLN A 76 10.546 14.657 -4.190 1.00 0.00 O ATOM 1281 NE2 GLN A 76 10.025 14.980 -2.030 1.00 0.00 N ATOM 0 H GLN A 76 5.829 11.578 -2.989 1.00 0.00 H new ATOM 0 HA GLN A 76 7.582 12.416 -5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.943 13.124 -2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.626 12.643 -2.324 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.083 14.358 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.626 15.126 -3.127 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.301 14.983 -1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.988 15.210 -1.785 1.00 0.00 H new ATOM 1290 N LEU A 77 8.509 9.836 -3.278 1.00 0.00 N ATOM 1291 CA LEU A 77 9.502 8.773 -3.173 1.00 0.00 C ATOM 1292 C LEU A 77 9.264 7.694 -4.221 1.00 0.00 C ATOM 1293 O LEU A 77 10.198 7.235 -4.879 1.00 0.00 O ATOM 1294 CB LEU A 77 9.472 8.156 -1.773 1.00 0.00 C ATOM 1295 CG LEU A 77 9.723 9.135 -0.626 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.156 8.589 0.675 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.212 9.418 -0.484 1.00 0.00 C ATOM 0 H LEU A 77 7.672 9.689 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 77 10.484 9.212 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.501 7.685 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.221 7.365 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 77 9.215 10.072 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.344 9.299 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.082 8.437 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.635 7.639 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.373 10.117 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.741 8.488 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.590 9.853 -1.410 1.00 0.00 H new ATOM 1309 N THR A 78 8.009 7.292 -4.369 1.00 0.00 N ATOM 1310 CA THR A 78 7.645 6.262 -5.336 1.00 0.00 C ATOM 1311 C THR A 78 7.929 6.731 -6.764 1.00 0.00 C ATOM 1312 O THR A 78 7.466 7.794 -7.177 1.00 0.00 O ATOM 1313 CB THR A 78 6.167 5.900 -5.192 1.00 0.00 C ATOM 1314 OG1 THR A 78 5.346 7.020 -5.467 1.00 0.00 O ATOM 1315 CG2 THR A 78 5.807 5.394 -3.812 1.00 0.00 C ATOM 0 H THR A 78 7.225 7.663 -3.832 1.00 0.00 H new ATOM 0 HA THR A 78 8.251 5.378 -5.135 1.00 0.00 H new ATOM 0 HB THR A 78 5.995 5.100 -5.912 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.805 7.615 -6.096 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.744 5.155 -3.778 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.387 4.498 -3.590 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.030 6.163 -3.073 1.00 0.00 H new