USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 590 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 Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.626) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 23 ASN : amide:sc= -3.36 X(o=-3.4,f=-3.2!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.301! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -2.73 K(o=-2.7,f=-4.2!) USER MOD Single : A 35 MET CE :methyl 169:sc= -0.0307 (180deg=-0.328) USER MOD Single : A 37 ASN : amide:sc= -1.85! C(o=-1.9!,f=-3.4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00615 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.816 F(o=-2.2,f=-0.82) USER MOD Single : A 50 MET CE :methyl 162:sc= -0.0126 (180deg=-0.812) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 63 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.2) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -137:sc= -0.232 (180deg=-2.16!) USER MOD Single : A 70 MET CE :methyl -150:sc= -0.412 (180deg=-1.78!) USER MOD Single : A 71 MET CE :methyl 167:sc= -1.4 (180deg=-1.49) USER MOD Single : A 72 MET CE :methyl -164:sc= 0 (180deg=-0.121) USER MOD Single : A 73 THR OG1 : rot 72:sc= 0.147 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 13.951 -1.710 -3.055 1.00 0.00 N ATOM 108 CA GLU A 9 13.776 -0.769 -4.152 1.00 0.00 C ATOM 109 C GLU A 9 12.297 -0.598 -4.474 1.00 0.00 C ATOM 110 O GLU A 9 11.831 0.513 -4.722 1.00 0.00 O ATOM 111 CB GLU A 9 14.518 -1.273 -5.393 1.00 0.00 C ATOM 112 CG GLU A 9 14.409 -0.235 -6.510 1.00 0.00 C ATOM 113 CD GLU A 9 15.245 -0.667 -7.708 1.00 0.00 C ATOM 114 OE1 GLU A 9 16.066 -1.557 -7.542 1.00 0.00 O ATOM 115 OE2 GLU A 9 15.057 -0.105 -8.774 1.00 0.00 O ATOM 0 HA GLU A 9 14.185 0.196 -3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.565 -1.456 -5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.095 -2.222 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.367 -0.117 -6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.750 0.736 -6.150 1.00 0.00 H new ATOM 122 N GLU A 10 11.562 -1.706 -4.468 1.00 0.00 N ATOM 123 CA GLU A 10 10.135 -1.661 -4.764 1.00 0.00 C ATOM 124 C GLU A 10 9.415 -0.749 -3.779 1.00 0.00 C ATOM 125 O GLU A 10 8.623 0.101 -4.174 1.00 0.00 O ATOM 126 CB GLU A 10 9.538 -3.069 -4.673 1.00 0.00 C ATOM 127 CG GLU A 10 8.060 -3.031 -5.073 1.00 0.00 C ATOM 128 CD GLU A 10 7.460 -4.429 -4.989 1.00 0.00 C ATOM 129 OE1 GLU A 10 8.008 -5.325 -5.610 1.00 0.00 O ATOM 130 OE2 GLU A 10 6.460 -4.583 -4.307 1.00 0.00 O ATOM 0 H GLU A 10 11.926 -2.637 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 10 10.006 -1.271 -5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.084 -3.749 -5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.640 -3.453 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.515 -2.353 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.959 -2.644 -6.087 1.00 0.00 H new ATOM 137 N LEU A 11 9.693 -0.933 -2.492 1.00 0.00 N ATOM 138 CA LEU A 11 9.047 -0.122 -1.465 1.00 0.00 C ATOM 139 C LEU A 11 9.348 1.353 -1.688 1.00 0.00 C ATOM 140 O LEU A 11 8.468 2.203 -1.539 1.00 0.00 O ATOM 141 CB LEU A 11 9.554 -0.538 -0.082 1.00 0.00 C ATOM 142 CG LEU A 11 9.417 -2.053 0.081 1.00 0.00 C ATOM 143 CD1 LEU A 11 9.963 -2.475 1.447 1.00 0.00 C ATOM 144 CD2 LEU A 11 7.943 -2.460 -0.035 1.00 0.00 C ATOM 0 H LEU A 11 10.352 -1.627 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 11 7.970 -0.279 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.596 -0.242 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.985 -0.026 0.694 1.00 0.00 H new ATOM 0 HG LEU A 11 9.986 -2.550 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.864 -3.555 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.014 -2.197 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.400 -1.974 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.853 -3.540 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.366 -1.961 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.561 -2.168 -1.013 1.00 0.00 H new ATOM 156 N LYS A 12 10.589 1.657 -2.046 1.00 0.00 N ATOM 157 CA LYS A 12 10.976 3.044 -2.284 1.00 0.00 C ATOM 158 C LYS A 12 10.346 3.581 -3.566 1.00 0.00 C ATOM 159 O LYS A 12 9.671 4.617 -3.558 1.00 0.00 O ATOM 160 CB LYS A 12 12.501 3.129 -2.388 1.00 0.00 C ATOM 161 CG LYS A 12 13.135 2.943 -0.999 1.00 0.00 C ATOM 162 CD LYS A 12 13.183 4.286 -0.263 1.00 0.00 C ATOM 163 CE LYS A 12 13.830 4.096 1.105 1.00 0.00 C ATOM 164 NZ LYS A 12 13.882 5.406 1.809 1.00 0.00 N ATOM 0 H LYS A 12 11.336 0.975 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 12 10.620 3.651 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.870 2.364 -3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.792 4.094 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.558 2.222 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.142 2.538 -1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.749 5.012 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.175 4.685 -0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.260 3.376 1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.835 3.691 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.323 5.281 2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.443 6.079 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.917 5.775 1.928 1.00 0.00 H new ATOM 178 N GLU A 13 10.564 2.871 -4.665 1.00 0.00 N ATOM 179 CA GLU A 13 10.019 3.291 -5.947 1.00 0.00 C ATOM 180 C GLU A 13 8.496 3.300 -5.901 1.00 0.00 C ATOM 181 O GLU A 13 7.855 4.249 -6.352 1.00 0.00 O ATOM 182 CB GLU A 13 10.500 2.352 -7.060 1.00 0.00 C ATOM 183 CG GLU A 13 11.981 2.609 -7.347 1.00 0.00 C ATOM 184 CD GLU A 13 12.433 1.767 -8.538 1.00 0.00 C ATOM 185 OE1 GLU A 13 11.628 0.995 -9.031 1.00 0.00 O ATOM 186 OE2 GLU A 13 13.576 1.910 -8.940 1.00 0.00 O ATOM 0 H GLU A 13 11.109 2.010 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 13 10.370 4.301 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.352 1.314 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.911 2.512 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.142 3.667 -7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.579 2.363 -6.469 1.00 0.00 H new ATOM 193 N ALA A 14 7.923 2.242 -5.344 1.00 0.00 N ATOM 194 CA ALA A 14 6.472 2.141 -5.240 1.00 0.00 C ATOM 195 C ALA A 14 5.924 3.296 -4.410 1.00 0.00 C ATOM 196 O ALA A 14 4.950 3.942 -4.798 1.00 0.00 O ATOM 197 CB ALA A 14 6.085 0.810 -4.592 1.00 0.00 C ATOM 0 H ALA A 14 8.434 1.447 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 14 6.045 2.189 -6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.000 0.743 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.459 -0.013 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.521 0.751 -3.595 1.00 0.00 H new ATOM 203 N PHE A 15 6.553 3.552 -3.267 1.00 0.00 N ATOM 204 CA PHE A 15 6.109 4.630 -2.393 1.00 0.00 C ATOM 205 C PHE A 15 6.039 5.938 -3.170 1.00 0.00 C ATOM 206 O PHE A 15 5.062 6.683 -3.064 1.00 0.00 O ATOM 207 CB PHE A 15 7.088 4.780 -1.221 1.00 0.00 C ATOM 208 CG PHE A 15 6.766 6.040 -0.446 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.533 6.164 0.205 1.00 0.00 C ATOM 210 CD2 PHE A 15 7.697 7.087 -0.385 1.00 0.00 C ATOM 211 CE1 PHE A 15 5.231 7.332 0.916 1.00 0.00 C ATOM 212 CE2 PHE A 15 7.394 8.253 0.325 1.00 0.00 C ATOM 213 CZ PHE A 15 6.163 8.375 0.975 1.00 0.00 C ATOM 0 H PHE A 15 7.363 3.033 -2.928 1.00 0.00 H new ATOM 0 HA PHE A 15 5.117 4.390 -2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.022 3.911 -0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.112 4.822 -1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.815 5.359 0.159 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.649 6.993 -0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.280 7.428 1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.111 9.059 0.371 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.930 9.276 1.524 1.00 0.00 H new ATOM 223 N LYS A 16 7.077 6.217 -3.945 1.00 0.00 N ATOM 224 CA LYS A 16 7.113 7.443 -4.730 1.00 0.00 C ATOM 225 C LYS A 16 5.997 7.444 -5.773 1.00 0.00 C ATOM 226 O LYS A 16 5.432 8.490 -6.092 1.00 0.00 O ATOM 227 CB LYS A 16 8.462 7.568 -5.431 1.00 0.00 C ATOM 228 CG LYS A 16 8.598 8.968 -6.049 1.00 0.00 C ATOM 229 CD LYS A 16 9.722 8.966 -7.100 1.00 0.00 C ATOM 230 CE LYS A 16 9.161 8.538 -8.458 1.00 0.00 C ATOM 231 NZ LYS A 16 10.246 8.572 -9.474 1.00 0.00 N ATOM 0 H LYS A 16 7.897 5.619 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 16 6.969 8.289 -4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.270 7.394 -4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.551 6.807 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.656 9.265 -6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.816 9.700 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.164 9.960 -7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.517 8.286 -6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.742 7.534 -8.391 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.349 9.203 -8.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.866 8.281 -10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.626 9.538 -9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.006 7.921 -9.192 1.00 0.00 H new ATOM 245 N VAL A 17 5.685 6.264 -6.301 1.00 0.00 N ATOM 246 CA VAL A 17 4.626 6.141 -7.300 1.00 0.00 C ATOM 247 C VAL A 17 3.249 6.311 -6.665 1.00 0.00 C ATOM 248 O VAL A 17 2.379 6.990 -7.210 1.00 0.00 O ATOM 249 CB VAL A 17 4.717 4.779 -7.990 1.00 0.00 C ATOM 250 CG1 VAL A 17 3.517 4.594 -8.924 1.00 0.00 C ATOM 251 CG2 VAL A 17 6.017 4.710 -8.804 1.00 0.00 C ATOM 0 H VAL A 17 6.145 5.387 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 17 4.760 6.932 -8.038 1.00 0.00 H new ATOM 0 HB VAL A 17 4.713 3.989 -7.239 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.584 3.623 -9.415 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.594 4.646 -8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.517 5.382 -9.677 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.086 3.741 -9.298 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.019 5.500 -9.555 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.870 4.840 -8.138 1.00 0.00 H new ATOM 261 N PHE A 18 3.056 5.679 -5.512 1.00 0.00 N ATOM 262 CA PHE A 18 1.777 5.757 -4.814 1.00 0.00 C ATOM 263 C PHE A 18 1.455 7.198 -4.447 1.00 0.00 C ATOM 264 O PHE A 18 0.327 7.654 -4.625 1.00 0.00 O ATOM 265 CB PHE A 18 1.817 4.889 -3.544 1.00 0.00 C ATOM 266 CG PHE A 18 1.443 3.464 -3.883 1.00 0.00 C ATOM 267 CD1 PHE A 18 0.129 3.166 -4.259 1.00 0.00 C ATOM 268 CD2 PHE A 18 2.401 2.447 -3.823 1.00 0.00 C ATOM 269 CE1 PHE A 18 -0.230 1.852 -4.574 1.00 0.00 C ATOM 270 CE2 PHE A 18 2.042 1.131 -4.138 1.00 0.00 C ATOM 271 CZ PHE A 18 0.729 0.835 -4.514 1.00 0.00 C ATOM 0 H PHE A 18 3.762 5.111 -5.044 1.00 0.00 H new ATOM 0 HA PHE A 18 0.997 5.385 -5.478 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.814 4.918 -3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.129 5.287 -2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.610 3.953 -4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.416 2.676 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.245 1.623 -4.863 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.780 0.344 -4.090 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.454 -0.180 -4.759 1.00 0.00 H new ATOM 281 N ASP A 19 2.450 7.909 -3.929 1.00 0.00 N ATOM 282 CA ASP A 19 2.251 9.297 -3.535 1.00 0.00 C ATOM 283 C ASP A 19 2.410 10.221 -4.738 1.00 0.00 C ATOM 284 O ASP A 19 3.422 10.903 -4.881 1.00 0.00 O ATOM 285 CB ASP A 19 3.267 9.683 -2.458 1.00 0.00 C ATOM 286 CG ASP A 19 2.850 10.987 -1.785 1.00 0.00 C ATOM 287 OD1 ASP A 19 1.674 11.314 -1.841 1.00 0.00 O ATOM 288 OD2 ASP A 19 3.712 11.638 -1.221 1.00 0.00 O ATOM 0 H ASP A 19 3.393 7.552 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 19 1.241 9.403 -3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.340 8.889 -1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.256 9.795 -2.903 1.00 0.00 H new ATOM 293 N LYS A 20 1.401 10.233 -5.602 1.00 0.00 N ATOM 294 CA LYS A 20 1.441 11.066 -6.796 1.00 0.00 C ATOM 295 C LYS A 20 1.569 12.531 -6.405 1.00 0.00 C ATOM 296 O LYS A 20 2.349 13.275 -6.999 1.00 0.00 O ATOM 297 CB LYS A 20 0.163 10.865 -7.618 1.00 0.00 C ATOM 298 CG LYS A 20 0.142 9.447 -8.194 1.00 0.00 C ATOM 299 CD LYS A 20 -1.130 9.250 -9.021 1.00 0.00 C ATOM 300 CE LYS A 20 -1.164 7.825 -9.577 1.00 0.00 C ATOM 301 NZ LYS A 20 -2.401 7.635 -10.385 1.00 0.00 N ATOM 0 H LYS A 20 0.551 9.679 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 20 2.304 10.778 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.714 11.027 -6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.118 11.597 -8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.022 9.283 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.181 8.715 -7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.009 9.431 -8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.160 9.971 -9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.283 7.643 -10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.136 7.104 -8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.736 6.656 -10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.137 8.290 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.195 7.827 -11.386 1.00 0.00 H new ATOM 315 N ASP A 21 0.801 12.941 -5.401 1.00 0.00 N ATOM 316 CA ASP A 21 0.838 14.319 -4.940 1.00 0.00 C ATOM 317 C ASP A 21 2.218 14.651 -4.387 1.00 0.00 C ATOM 318 O ASP A 21 2.690 15.776 -4.529 1.00 0.00 O ATOM 319 CB ASP A 21 -0.206 14.529 -3.847 1.00 0.00 C ATOM 320 CG ASP A 21 -1.501 13.824 -4.214 1.00 0.00 C ATOM 321 OD1 ASP A 21 -1.925 13.950 -5.351 1.00 0.00 O ATOM 322 OD2 ASP A 21 -2.050 13.161 -3.345 1.00 0.00 O ATOM 0 H ASP A 21 0.150 12.341 -4.895 1.00 0.00 H new ATOM 0 HA ASP A 21 0.621 14.975 -5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.169 14.146 -2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.390 15.595 -3.710 1.00 0.00 H new ATOM 327 N GLN A 22 2.850 13.662 -3.757 1.00 0.00 N ATOM 328 CA GLN A 22 4.184 13.849 -3.181 1.00 0.00 C ATOM 329 C GLN A 22 4.102 14.622 -1.866 1.00 0.00 C ATOM 330 O GLN A 22 5.007 15.384 -1.523 1.00 0.00 O ATOM 331 CB GLN A 22 5.082 14.609 -4.172 1.00 0.00 C ATOM 332 CG GLN A 22 6.552 14.322 -3.867 1.00 0.00 C ATOM 333 CD GLN A 22 7.440 15.069 -4.854 1.00 0.00 C ATOM 334 OE1 GLN A 22 6.991 15.434 -5.941 1.00 0.00 O ATOM 335 NE2 GLN A 22 8.677 15.326 -4.535 1.00 0.00 N ATOM 0 H GLN A 22 2.463 12.726 -3.632 1.00 0.00 H new ATOM 0 HA GLN A 22 4.612 12.867 -2.982 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.848 14.308 -5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.890 15.680 -4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.788 14.628 -2.848 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.743 13.251 -3.930 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.045 15.022 -3.634 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.277 15.831 -5.187 1.00 0.00 H new ATOM 344 N ASN A 23 3.013 14.423 -1.131 1.00 0.00 N ATOM 345 CA ASN A 23 2.827 15.112 0.140 1.00 0.00 C ATOM 346 C ASN A 23 3.583 14.388 1.248 1.00 0.00 C ATOM 347 O ASN A 23 3.654 14.868 2.377 1.00 0.00 O ATOM 348 CB ASN A 23 1.339 15.161 0.495 1.00 0.00 C ATOM 349 CG ASN A 23 0.516 15.480 -0.744 1.00 0.00 C ATOM 350 OD1 ASN A 23 -0.577 14.933 -0.915 1.00 0.00 O ATOM 351 ND2 ASN A 23 0.977 16.329 -1.623 1.00 0.00 N ATOM 0 H ASN A 23 2.252 13.796 -1.391 1.00 0.00 H new ATOM 0 HA ASN A 23 3.213 16.127 0.044 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.025 14.205 0.913 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.165 15.916 1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.433 16.544 -2.458 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.881 16.777 -1.474 1.00 0.00 H new ATOM 358 N GLY A 24 4.145 13.229 0.917 1.00 0.00 N ATOM 359 CA GLY A 24 4.891 12.438 1.894 1.00 0.00 C ATOM 360 C GLY A 24 4.017 11.332 2.469 1.00 0.00 C ATOM 361 O GLY A 24 4.521 10.359 3.023 1.00 0.00 O ATOM 0 H GLY A 24 4.099 12.817 -0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.772 12.004 1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.246 13.083 2.698 1.00 0.00 H new ATOM 365 N TYR A 25 2.699 11.490 2.339 1.00 0.00 N ATOM 366 CA TYR A 25 1.756 10.494 2.849 1.00 0.00 C ATOM 367 C TYR A 25 0.742 10.120 1.770 1.00 0.00 C ATOM 368 O TYR A 25 0.241 10.981 1.031 1.00 0.00 O ATOM 369 CB TYR A 25 1.020 11.054 4.073 1.00 0.00 C ATOM 370 CG TYR A 25 1.992 11.821 4.939 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.423 13.094 4.545 1.00 0.00 C ATOM 372 CD2 TYR A 25 2.463 11.264 6.136 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.321 13.809 5.345 1.00 0.00 C ATOM 374 CE2 TYR A 25 3.361 11.980 6.936 1.00 0.00 C ATOM 375 CZ TYR A 25 3.789 13.252 6.541 1.00 0.00 C ATOM 376 OH TYR A 25 4.675 13.959 7.330 1.00 0.00 O ATOM 0 H TYR A 25 2.262 12.294 1.887 1.00 0.00 H new ATOM 0 HA TYR A 25 2.312 9.602 3.136 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.207 11.707 3.755 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.571 10.241 4.644 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.062 13.524 3.623 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.133 10.282 6.441 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.653 14.790 5.040 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.724 11.551 7.858 1.00 0.00 H new ATOM 0 HH TYR A 25 4.899 13.431 8.124 1.00 0.00 H new ATOM 386 N ILE A 26 0.449 8.825 1.680 1.00 0.00 N ATOM 387 CA ILE A 26 -0.502 8.339 0.688 1.00 0.00 C ATOM 388 C ILE A 26 -1.927 8.564 1.173 1.00 0.00 C ATOM 389 O ILE A 26 -2.271 8.219 2.303 1.00 0.00 O ATOM 390 CB ILE A 26 -0.278 6.850 0.425 1.00 0.00 C ATOM 391 CG1 ILE A 26 1.115 6.642 -0.169 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.335 6.341 -0.557 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.447 5.148 -0.175 1.00 0.00 C ATOM 0 H ILE A 26 0.852 8.102 2.275 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.348 8.891 -0.239 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.359 6.299 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.153 7.038 -1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.856 7.188 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.176 5.279 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.328 6.489 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.256 6.891 -1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.440 4.998 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.426 4.767 0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.711 4.614 -0.777 1.00 0.00 H new ATOM 405 N SER A 27 -2.754 9.153 0.312 1.00 0.00 N ATOM 406 CA SER A 27 -4.148 9.430 0.658 1.00 0.00 C ATOM 407 C SER A 27 -5.076 8.402 0.014 1.00 0.00 C ATOM 408 O SER A 27 -4.622 7.478 -0.658 1.00 0.00 O ATOM 409 CB SER A 27 -4.533 10.831 0.185 1.00 0.00 C ATOM 410 OG SER A 27 -5.915 11.047 0.441 1.00 0.00 O ATOM 0 H SER A 27 -2.485 9.447 -0.627 1.00 0.00 H new ATOM 0 HA SER A 27 -4.253 9.369 1.741 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.934 11.580 0.702 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.327 10.938 -0.880 1.00 0.00 H new ATOM 0 HG SER A 27 -6.167 11.945 0.141 1.00 0.00 H new ATOM 416 N ALA A 28 -6.375 8.574 0.228 1.00 0.00 N ATOM 417 CA ALA A 28 -7.365 7.664 -0.340 1.00 0.00 C ATOM 418 C ALA A 28 -7.508 7.896 -1.838 1.00 0.00 C ATOM 419 O ALA A 28 -7.654 6.950 -2.610 1.00 0.00 O ATOM 420 CB ALA A 28 -8.715 7.868 0.347 1.00 0.00 C ATOM 0 H ALA A 28 -6.767 9.331 0.788 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.028 6.640 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.449 7.185 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.614 7.668 1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.046 8.896 0.200 1.00 0.00 H new ATOM 426 N SER A 29 -7.472 9.163 -2.241 1.00 0.00 N ATOM 427 CA SER A 29 -7.613 9.514 -3.650 1.00 0.00 C ATOM 428 C SER A 29 -6.540 8.826 -4.487 1.00 0.00 C ATOM 429 O SER A 29 -6.813 8.316 -5.579 1.00 0.00 O ATOM 430 CB SER A 29 -7.501 11.028 -3.828 1.00 0.00 C ATOM 431 OG SER A 29 -8.576 11.661 -3.146 1.00 0.00 O ATOM 0 H SER A 29 -7.347 9.959 -1.616 1.00 0.00 H new ATOM 0 HA SER A 29 -8.594 9.179 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.548 11.382 -3.436 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.526 11.284 -4.887 1.00 0.00 H new ATOM 0 HG SER A 29 -8.507 12.632 -3.256 1.00 0.00 H new ATOM 437 N GLU A 30 -5.317 8.810 -3.969 1.00 0.00 N ATOM 438 CA GLU A 30 -4.208 8.187 -4.676 1.00 0.00 C ATOM 439 C GLU A 30 -4.358 6.672 -4.698 1.00 0.00 C ATOM 440 O GLU A 30 -4.069 6.025 -5.704 1.00 0.00 O ATOM 441 CB GLU A 30 -2.892 8.554 -3.989 1.00 0.00 C ATOM 442 CG GLU A 30 -2.643 10.057 -4.128 1.00 0.00 C ATOM 443 CD GLU A 30 -1.481 10.479 -3.231 1.00 0.00 C ATOM 444 OE1 GLU A 30 -1.414 9.990 -2.116 1.00 0.00 O ATOM 445 OE2 GLU A 30 -0.683 11.292 -3.662 1.00 0.00 O ATOM 0 H GLU A 30 -5.071 9.219 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.208 8.552 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.930 8.277 -2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.069 7.996 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.420 10.302 -5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.542 10.610 -3.856 1.00 0.00 H new ATOM 452 N LEU A 31 -4.796 6.105 -3.580 1.00 0.00 N ATOM 453 CA LEU A 31 -4.947 4.661 -3.486 1.00 0.00 C ATOM 454 C LEU A 31 -5.946 4.147 -4.518 1.00 0.00 C ATOM 455 O LEU A 31 -5.680 3.172 -5.226 1.00 0.00 O ATOM 456 CB LEU A 31 -5.432 4.288 -2.077 1.00 0.00 C ATOM 457 CG LEU A 31 -5.077 2.822 -1.772 1.00 0.00 C ATOM 458 CD1 LEU A 31 -3.604 2.712 -1.346 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.965 2.299 -0.640 1.00 0.00 C ATOM 0 H LEU A 31 -5.050 6.618 -2.736 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.979 4.200 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.971 4.944 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.510 4.433 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.239 2.229 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.364 1.670 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.964 3.074 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.438 3.313 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.710 1.261 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.807 2.902 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.011 2.362 -0.940 1.00 0.00 H new ATOM 471 N ARG A 32 -7.088 4.812 -4.602 1.00 0.00 N ATOM 472 CA ARG A 32 -8.112 4.414 -5.552 1.00 0.00 C ATOM 473 C ARG A 32 -7.646 4.679 -6.981 1.00 0.00 C ATOM 474 O ARG A 32 -7.995 3.948 -7.905 1.00 0.00 O ATOM 475 CB ARG A 32 -9.416 5.173 -5.280 1.00 0.00 C ATOM 476 CG ARG A 32 -9.216 6.672 -5.523 1.00 0.00 C ATOM 477 CD ARG A 32 -10.566 7.362 -5.578 1.00 0.00 C ATOM 478 NE ARG A 32 -11.306 7.135 -4.338 1.00 0.00 N ATOM 479 CZ ARG A 32 -11.456 8.087 -3.417 1.00 0.00 C ATOM 480 NH1 ARG A 32 -10.934 9.268 -3.596 1.00 0.00 N ATOM 481 NH2 ARG A 32 -12.127 7.835 -2.326 1.00 0.00 N ATOM 0 H ARG A 32 -7.327 5.622 -4.029 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.293 3.346 -5.433 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.207 4.795 -5.927 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.736 5.003 -4.252 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.608 7.102 -4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.677 6.831 -6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.428 8.432 -5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.139 6.986 -6.425 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.721 6.218 -4.172 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.406 9.469 -4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.053 9.991 -2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.535 6.912 -2.180 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.243 8.561 -1.620 1.00 0.00 H new ATOM 495 N HIS A 33 -6.867 5.747 -7.155 1.00 0.00 N ATOM 496 CA HIS A 33 -6.382 6.114 -8.477 1.00 0.00 C ATOM 497 C HIS A 33 -5.456 5.035 -9.013 1.00 0.00 C ATOM 498 O HIS A 33 -5.554 4.636 -10.174 1.00 0.00 O ATOM 499 CB HIS A 33 -5.638 7.452 -8.405 1.00 0.00 C ATOM 500 CG HIS A 33 -6.628 8.576 -8.250 1.00 0.00 C ATOM 501 ND1 HIS A 33 -7.996 8.359 -8.233 1.00 0.00 N ATOM 502 CD2 HIS A 33 -6.461 9.933 -8.113 1.00 0.00 C ATOM 503 CE1 HIS A 33 -8.595 9.556 -8.090 1.00 0.00 C ATOM 504 NE2 HIS A 33 -7.705 10.549 -8.012 1.00 0.00 N ATOM 0 H HIS A 33 -6.563 6.365 -6.403 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.233 6.214 -9.151 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.943 7.448 -7.565 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.045 7.599 -9.308 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -5.510 10.444 -8.088 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -9.665 9.696 -8.044 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.896 11.545 -7.902 1.00 0.00 H new ATOM 512 N VAL A 34 -4.562 4.560 -8.157 1.00 0.00 N ATOM 513 CA VAL A 34 -3.627 3.514 -8.543 1.00 0.00 C ATOM 514 C VAL A 34 -4.371 2.208 -8.812 1.00 0.00 C ATOM 515 O VAL A 34 -4.054 1.479 -9.760 1.00 0.00 O ATOM 516 CB VAL A 34 -2.583 3.302 -7.441 1.00 0.00 C ATOM 517 CG1 VAL A 34 -1.723 2.077 -7.772 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.685 4.539 -7.346 1.00 0.00 C ATOM 0 H VAL A 34 -4.465 4.881 -7.194 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.120 3.825 -9.456 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.091 3.142 -6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.982 1.930 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.359 1.194 -7.842 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.216 2.235 -8.724 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.942 4.390 -6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.181 4.697 -8.299 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.292 5.412 -7.108 1.00 0.00 H new ATOM 528 N MET A 35 -5.356 1.908 -7.969 1.00 0.00 N ATOM 529 CA MET A 35 -6.126 0.681 -8.122 1.00 0.00 C ATOM 530 C MET A 35 -6.906 0.695 -9.432 1.00 0.00 C ATOM 531 O MET A 35 -6.990 -0.315 -10.127 1.00 0.00 O ATOM 532 CB MET A 35 -7.094 0.537 -6.945 1.00 0.00 C ATOM 533 CG MET A 35 -6.308 0.160 -5.686 1.00 0.00 C ATOM 534 SD MET A 35 -5.727 -1.548 -5.814 1.00 0.00 S ATOM 535 CE MET A 35 -5.648 -1.902 -4.039 1.00 0.00 C ATOM 0 H MET A 35 -5.636 2.492 -7.181 1.00 0.00 H new ATOM 0 HA MET A 35 -5.439 -0.165 -8.138 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.632 1.471 -6.785 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.840 -0.227 -7.164 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.460 0.834 -5.560 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.939 0.274 -4.805 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.497 -2.971 -3.888 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.819 -1.352 -3.595 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.581 -1.597 -3.565 1.00 0.00 H new ATOM 545 N ILE A 36 -7.471 1.847 -9.766 1.00 0.00 N ATOM 546 CA ILE A 36 -8.236 1.979 -10.999 1.00 0.00 C ATOM 547 C ILE A 36 -7.325 1.847 -12.213 1.00 0.00 C ATOM 548 O ILE A 36 -7.666 1.177 -13.187 1.00 0.00 O ATOM 549 CB ILE A 36 -8.967 3.327 -11.022 1.00 0.00 C ATOM 550 CG1 ILE A 36 -10.050 3.343 -9.922 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.625 3.542 -12.393 1.00 0.00 C ATOM 552 CD1 ILE A 36 -11.330 2.646 -10.411 1.00 0.00 C ATOM 0 H ILE A 36 -7.415 2.698 -9.206 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.974 1.178 -11.038 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.249 4.127 -10.841 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.676 2.843 -9.029 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.275 4.372 -9.641 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.142 4.501 -12.402 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.860 3.535 -13.169 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.341 2.742 -12.582 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.081 2.668 -9.621 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.713 3.164 -11.290 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.105 1.611 -10.669 1.00 0.00 H new ATOM 564 N ASN A 37 -6.172 2.497 -12.143 1.00 0.00 N ATOM 565 CA ASN A 37 -5.215 2.453 -13.238 1.00 0.00 C ATOM 566 C ASN A 37 -4.735 1.020 -13.449 1.00 0.00 C ATOM 567 O ASN A 37 -4.335 0.642 -14.549 1.00 0.00 O ATOM 568 CB ASN A 37 -4.023 3.357 -12.933 1.00 0.00 C ATOM 569 CG ASN A 37 -3.054 3.356 -14.110 1.00 0.00 C ATOM 570 OD1 ASN A 37 -3.292 2.682 -15.113 1.00 0.00 O ATOM 571 ND2 ASN A 37 -1.965 4.073 -14.048 1.00 0.00 N ATOM 0 H ASN A 37 -5.878 3.058 -11.344 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.703 2.806 -14.146 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.367 4.372 -12.735 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.515 3.012 -12.033 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.311 4.075 -14.830 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.768 4.631 -13.217 1.00 0.00 H new ATOM 578 N LEU A 38 -4.785 0.227 -12.382 1.00 0.00 N ATOM 579 CA LEU A 38 -4.356 -1.168 -12.458 1.00 0.00 C ATOM 580 C LEU A 38 -5.453 -2.039 -13.058 1.00 0.00 C ATOM 581 O LEU A 38 -5.313 -3.258 -13.141 1.00 0.00 O ATOM 582 CB LEU A 38 -3.998 -1.679 -11.060 1.00 0.00 C ATOM 583 CG LEU A 38 -2.639 -1.104 -10.633 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.461 -1.291 -9.123 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.494 -1.823 -11.379 1.00 0.00 C ATOM 0 H LEU A 38 -5.115 0.522 -11.463 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.478 -1.223 -13.102 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.768 -1.386 -10.347 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.960 -2.768 -11.059 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.609 -0.043 -10.881 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.497 -0.884 -8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.259 -0.769 -8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.499 -2.353 -8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.537 -1.405 -11.066 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.519 -2.887 -11.145 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.617 -1.685 -12.453 1.00 0.00 H new ATOM 597 N GLY A 39 -6.540 -1.406 -13.479 1.00 0.00 N ATOM 598 CA GLY A 39 -7.650 -2.137 -14.073 1.00 0.00 C ATOM 599 C GLY A 39 -8.484 -2.825 -13.003 1.00 0.00 C ATOM 600 O GLY A 39 -9.133 -3.835 -13.269 1.00 0.00 O ATOM 0 H GLY A 39 -6.676 -0.397 -13.421 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.277 -1.452 -14.644 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.268 -2.879 -14.774 1.00 0.00 H new ATOM 604 N GLU A 40 -8.462 -2.273 -11.790 1.00 0.00 N ATOM 605 CA GLU A 40 -9.225 -2.841 -10.676 1.00 0.00 C ATOM 606 C GLU A 40 -10.251 -1.835 -10.175 1.00 0.00 C ATOM 607 O GLU A 40 -9.944 -0.660 -9.997 1.00 0.00 O ATOM 608 CB GLU A 40 -8.277 -3.220 -9.539 1.00 0.00 C ATOM 609 CG GLU A 40 -7.363 -4.359 -9.995 1.00 0.00 C ATOM 610 CD GLU A 40 -6.354 -4.686 -8.900 1.00 0.00 C ATOM 611 OE1 GLU A 40 -6.431 -4.072 -7.848 1.00 0.00 O ATOM 612 OE2 GLU A 40 -5.517 -5.543 -9.130 1.00 0.00 O ATOM 0 H GLU A 40 -7.927 -1.437 -11.553 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.745 -3.733 -11.024 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.681 -2.356 -9.245 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.848 -3.526 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.957 -5.242 -10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.841 -4.074 -10.909 1.00 0.00 H new ATOM 619 N LYS A 41 -11.475 -2.308 -9.949 1.00 0.00 N ATOM 620 CA LYS A 41 -12.552 -1.441 -9.469 1.00 0.00 C ATOM 621 C LYS A 41 -12.879 -1.757 -8.019 1.00 0.00 C ATOM 622 O LYS A 41 -13.613 -2.701 -7.731 1.00 0.00 O ATOM 623 CB LYS A 41 -13.801 -1.644 -10.326 1.00 0.00 C ATOM 624 CG LYS A 41 -14.877 -0.645 -9.895 1.00 0.00 C ATOM 625 CD LYS A 41 -16.103 -0.797 -10.794 1.00 0.00 C ATOM 626 CE LYS A 41 -17.171 0.216 -10.375 1.00 0.00 C ATOM 627 NZ LYS A 41 -18.346 0.102 -11.285 1.00 0.00 N ATOM 0 H LYS A 41 -11.746 -3.281 -10.089 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.223 -0.405 -9.542 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.560 -1.504 -11.380 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.170 -2.664 -10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.152 -0.817 -8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.490 0.372 -9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.825 -0.639 -11.836 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.498 -1.810 -10.720 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.476 0.034 -9.345 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.764 1.227 -10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -19.073 0.790 -11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.048 0.296 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.738 -0.860 -11.227 1.00 0.00 H new ATOM 641 N LEU A 42 -12.328 -0.960 -7.103 1.00 0.00 N ATOM 642 CA LEU A 42 -12.562 -1.157 -5.671 1.00 0.00 C ATOM 643 C LEU A 42 -13.444 -0.046 -5.122 1.00 0.00 C ATOM 644 O LEU A 42 -13.353 1.105 -5.550 1.00 0.00 O ATOM 645 CB LEU A 42 -11.220 -1.175 -4.921 1.00 0.00 C ATOM 646 CG LEU A 42 -10.605 -2.576 -4.993 1.00 0.00 C ATOM 647 CD1 LEU A 42 -10.346 -2.963 -6.453 1.00 0.00 C ATOM 648 CD2 LEU A 42 -9.291 -2.590 -4.215 1.00 0.00 C ATOM 0 H LEU A 42 -11.718 -0.174 -7.326 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.068 -2.111 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.538 -0.446 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.370 -0.887 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.297 -3.296 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.909 -3.961 -6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.287 -2.957 -7.003 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.658 -2.247 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.850 -3.586 -4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.602 -1.866 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.482 -2.328 -3.174 1.00 0.00 H new ATOM 660 N THR A 43 -14.300 -0.403 -4.173 1.00 0.00 N ATOM 661 CA THR A 43 -15.201 0.568 -3.571 1.00 0.00 C ATOM 662 C THR A 43 -14.476 1.378 -2.500 1.00 0.00 C ATOM 663 O THR A 43 -13.451 0.949 -1.967 1.00 0.00 O ATOM 664 CB THR A 43 -16.408 -0.153 -2.944 1.00 0.00 C ATOM 665 OG1 THR A 43 -16.693 -1.327 -3.689 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.628 0.770 -2.954 1.00 0.00 C ATOM 0 H THR A 43 -14.388 -1.351 -3.807 1.00 0.00 H new ATOM 0 HA THR A 43 -15.549 1.246 -4.350 1.00 0.00 H new ATOM 0 HB THR A 43 -16.173 -0.421 -1.914 1.00 0.00 H new ATOM 0 HG1 THR A 43 -17.460 -1.789 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.479 0.254 -2.509 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.408 1.670 -2.379 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.868 1.045 -3.981 1.00 0.00 H new ATOM 674 N ASP A 44 -15.014 2.548 -2.192 1.00 0.00 N ATOM 675 CA ASP A 44 -14.414 3.414 -1.186 1.00 0.00 C ATOM 676 C ASP A 44 -14.182 2.647 0.111 1.00 0.00 C ATOM 677 O ASP A 44 -13.194 2.874 0.811 1.00 0.00 O ATOM 678 CB ASP A 44 -15.327 4.614 -0.912 1.00 0.00 C ATOM 679 CG ASP A 44 -16.709 4.131 -0.488 1.00 0.00 C ATOM 680 OD1 ASP A 44 -16.945 2.935 -0.551 1.00 0.00 O ATOM 681 OD2 ASP A 44 -17.515 4.965 -0.107 1.00 0.00 O ATOM 0 H ASP A 44 -15.861 2.920 -2.621 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.455 3.767 -1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -14.895 5.239 -0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.407 5.232 -1.806 1.00 0.00 H new ATOM 686 N GLU A 45 -15.097 1.737 0.427 1.00 0.00 N ATOM 687 CA GLU A 45 -14.982 0.946 1.645 1.00 0.00 C ATOM 688 C GLU A 45 -13.633 0.237 1.692 1.00 0.00 C ATOM 689 O GLU A 45 -12.983 0.195 2.736 1.00 0.00 O ATOM 690 CB GLU A 45 -16.110 -0.090 1.700 1.00 0.00 C ATOM 691 CG GLU A 45 -16.030 -0.866 3.018 1.00 0.00 C ATOM 692 CD GLU A 45 -17.184 -1.856 3.110 1.00 0.00 C ATOM 693 OE1 GLU A 45 -18.125 -1.714 2.348 1.00 0.00 O ATOM 694 OE2 GLU A 45 -17.111 -2.743 3.945 1.00 0.00 O ATOM 0 H GLU A 45 -15.920 1.530 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.060 1.613 2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.077 0.406 1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.029 -0.776 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.080 -1.396 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.065 -0.174 3.860 1.00 0.00 H new ATOM 701 N GLU A 46 -13.220 -0.319 0.559 1.00 0.00 N ATOM 702 CA GLU A 46 -11.944 -1.025 0.490 1.00 0.00 C ATOM 703 C GLU A 46 -10.793 -0.094 0.882 1.00 0.00 C ATOM 704 O GLU A 46 -9.845 -0.492 1.564 1.00 0.00 O ATOM 705 CB GLU A 46 -11.720 -1.546 -0.929 1.00 0.00 C ATOM 706 CG GLU A 46 -12.773 -2.604 -1.263 1.00 0.00 C ATOM 707 CD GLU A 46 -12.543 -3.857 -0.423 1.00 0.00 C ATOM 708 OE1 GLU A 46 -11.507 -3.936 0.217 1.00 0.00 O ATOM 709 OE2 GLU A 46 -13.398 -4.727 -0.445 1.00 0.00 O ATOM 0 H GLU A 46 -13.743 -0.296 -0.316 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.971 -1.862 1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.778 -0.724 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.721 -1.973 -1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.771 -2.208 -1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.725 -2.854 -2.323 1.00 0.00 H new ATOM 716 N VAL A 47 -10.884 1.150 0.446 1.00 0.00 N ATOM 717 CA VAL A 47 -9.855 2.131 0.753 1.00 0.00 C ATOM 718 C VAL A 47 -9.870 2.486 2.237 1.00 0.00 C ATOM 719 O VAL A 47 -8.819 2.669 2.849 1.00 0.00 O ATOM 720 CB VAL A 47 -10.055 3.394 -0.086 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.961 4.415 0.249 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.984 3.032 -1.573 1.00 0.00 C ATOM 0 H VAL A 47 -11.655 1.505 -0.119 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.887 1.693 0.510 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.030 3.828 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.106 5.314 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.015 4.672 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.983 3.986 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.126 3.931 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.009 2.597 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.766 2.310 -1.809 1.00 0.00 H new ATOM 732 N GLU A 48 -11.066 2.611 2.808 1.00 0.00 N ATOM 733 CA GLU A 48 -11.198 2.968 4.208 1.00 0.00 C ATOM 734 C GLU A 48 -10.655 1.875 5.119 1.00 0.00 C ATOM 735 O GLU A 48 -9.863 2.142 6.024 1.00 0.00 O ATOM 736 CB GLU A 48 -12.675 3.205 4.531 1.00 0.00 C ATOM 737 CG GLU A 48 -12.808 3.691 5.971 1.00 0.00 C ATOM 738 CD GLU A 48 -14.264 4.020 6.287 1.00 0.00 C ATOM 739 OE1 GLU A 48 -15.118 3.661 5.492 1.00 0.00 O ATOM 740 OE2 GLU A 48 -14.504 4.622 7.320 1.00 0.00 O ATOM 0 H GLU A 48 -11.951 2.470 2.321 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.618 3.874 4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.094 3.942 3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.241 2.284 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.445 2.925 6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.187 4.574 6.123 1.00 0.00 H new ATOM 747 N GLN A 49 -11.093 0.645 4.882 1.00 0.00 N ATOM 748 CA GLN A 49 -10.656 -0.479 5.704 1.00 0.00 C ATOM 749 C GLN A 49 -9.147 -0.660 5.603 1.00 0.00 C ATOM 750 O GLN A 49 -8.490 -1.035 6.573 1.00 0.00 O ATOM 751 CB GLN A 49 -11.367 -1.763 5.275 1.00 0.00 C ATOM 752 CG GLN A 49 -10.981 -2.094 3.841 1.00 0.00 C ATOM 753 CD GLN A 49 -11.788 -3.284 3.336 1.00 0.00 C ATOM 754 OE1 GLN A 49 -13.046 -3.124 3.037 1.00 0.00 O flip ATOM 755 NE2 GLN A 49 -11.255 -4.385 3.206 1.00 0.00 N flip ATOM 0 H GLN A 49 -11.744 0.400 4.136 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.914 -0.264 6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.091 -2.584 5.937 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.447 -1.639 5.354 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.157 -1.229 3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.916 -2.319 3.787 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.270 -4.506 3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.798 -5.177 2.863 1.00 0.00 H new ATOM 764 N MET A 50 -8.597 -0.402 4.423 1.00 0.00 N ATOM 765 CA MET A 50 -7.157 -0.532 4.230 1.00 0.00 C ATOM 766 C MET A 50 -6.401 0.564 4.984 1.00 0.00 C ATOM 767 O MET A 50 -5.375 0.301 5.612 1.00 0.00 O ATOM 768 CB MET A 50 -6.837 -0.426 2.738 1.00 0.00 C ATOM 769 CG MET A 50 -7.215 -1.729 2.037 1.00 0.00 C ATOM 770 SD MET A 50 -7.003 -1.535 0.249 1.00 0.00 S ATOM 771 CE MET A 50 -5.196 -1.624 0.210 1.00 0.00 C ATOM 0 H MET A 50 -9.116 -0.106 3.596 1.00 0.00 H new ATOM 0 HA MET A 50 -6.843 -1.501 4.618 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.384 0.407 2.297 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.776 -0.221 2.597 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.591 -2.545 2.402 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.248 -1.991 2.265 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.864 -1.845 -0.805 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.778 -0.669 0.529 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.856 -2.412 0.882 1.00 0.00 H new ATOM 781 N ILE A 51 -6.914 1.792 4.918 1.00 0.00 N ATOM 782 CA ILE A 51 -6.269 2.911 5.597 1.00 0.00 C ATOM 783 C ILE A 51 -6.380 2.769 7.111 1.00 0.00 C ATOM 784 O ILE A 51 -5.405 2.960 7.830 1.00 0.00 O ATOM 785 CB ILE A 51 -6.905 4.232 5.151 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.537 4.503 3.690 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.392 5.379 6.029 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.400 5.642 3.154 1.00 0.00 C ATOM 0 H ILE A 51 -7.763 2.034 4.408 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.213 2.909 5.328 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.988 4.163 5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.481 4.763 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.689 3.604 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.848 6.315 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.655 5.186 7.069 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.308 5.452 5.936 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.140 5.837 2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.452 5.363 3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.226 6.540 3.746 1.00 0.00 H new ATOM 800 N LYS A 52 -7.572 2.444 7.586 1.00 0.00 N ATOM 801 CA LYS A 52 -7.791 2.291 9.016 1.00 0.00 C ATOM 802 C LYS A 52 -6.966 1.119 9.550 1.00 0.00 C ATOM 803 O LYS A 52 -6.327 1.214 10.598 1.00 0.00 O ATOM 804 CB LYS A 52 -9.297 2.075 9.293 1.00 0.00 C ATOM 805 CG LYS A 52 -9.640 0.578 9.291 1.00 0.00 C ATOM 806 CD LYS A 52 -11.132 0.384 9.468 1.00 0.00 C ATOM 807 CE LYS A 52 -11.426 -1.115 9.515 1.00 0.00 C ATOM 808 NZ LYS A 52 -12.894 -1.320 9.619 1.00 0.00 N ATOM 0 H LYS A 52 -8.397 2.282 7.008 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.470 3.197 9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.561 2.512 10.256 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.889 2.590 8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.315 0.124 8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.102 0.073 10.093 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.470 0.865 10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.674 0.850 8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.041 -1.602 8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.921 -1.571 10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.101 -2.339 9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.247 -0.867 10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.363 -0.898 8.792 1.00 0.00 H new ATOM 822 N GLU A 53 -7.016 0.000 8.825 1.00 0.00 N ATOM 823 CA GLU A 53 -6.303 -1.187 9.230 1.00 0.00 C ATOM 824 C GLU A 53 -4.811 -0.928 9.187 1.00 0.00 C ATOM 825 O GLU A 53 -4.055 -1.477 9.988 1.00 0.00 O ATOM 826 CB GLU A 53 -6.668 -2.357 8.303 1.00 0.00 C ATOM 827 CG GLU A 53 -5.834 -3.586 8.656 1.00 0.00 C ATOM 828 CD GLU A 53 -6.226 -4.109 10.039 1.00 0.00 C ATOM 829 OE1 GLU A 53 -7.233 -3.657 10.560 1.00 0.00 O ATOM 830 OE2 GLU A 53 -5.506 -4.943 10.564 1.00 0.00 O ATOM 0 H GLU A 53 -7.545 -0.097 7.958 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.586 -1.447 10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.729 -2.589 8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.494 -2.076 7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.985 -4.364 7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.774 -3.332 8.642 1.00 0.00 H new ATOM 837 N ALA A 54 -4.392 -0.108 8.235 1.00 0.00 N ATOM 838 CA ALA A 54 -2.978 0.204 8.089 1.00 0.00 C ATOM 839 C ALA A 54 -2.555 1.290 9.070 1.00 0.00 C ATOM 840 O ALA A 54 -1.533 1.169 9.745 1.00 0.00 O ATOM 841 CB ALA A 54 -2.694 0.673 6.660 1.00 0.00 C ATOM 0 H ALA A 54 -5.003 0.349 7.558 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.407 -0.700 8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.634 0.905 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.963 -0.116 5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.283 1.565 6.446 1.00 0.00 H new ATOM 847 N ASP A 55 -3.349 2.351 9.144 1.00 0.00 N ATOM 848 CA ASP A 55 -3.050 3.457 10.043 1.00 0.00 C ATOM 849 C ASP A 55 -3.360 3.078 11.484 1.00 0.00 C ATOM 850 O ASP A 55 -4.398 2.486 11.770 1.00 0.00 O ATOM 851 CB ASP A 55 -3.876 4.684 9.658 1.00 0.00 C ATOM 852 CG ASP A 55 -3.423 5.212 8.301 1.00 0.00 C ATOM 853 OD1 ASP A 55 -2.869 4.435 7.541 1.00 0.00 O ATOM 854 OD2 ASP A 55 -3.640 6.383 8.045 1.00 0.00 O ATOM 0 H ASP A 55 -4.201 2.468 8.595 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.988 3.687 9.956 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.934 4.424 9.622 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.764 5.460 10.415 1.00 0.00 H new ATOM 859 N LEU A 56 -2.451 3.427 12.392 1.00 0.00 N ATOM 860 CA LEU A 56 -2.636 3.127 13.813 1.00 0.00 C ATOM 861 C LEU A 56 -3.124 4.361 14.556 1.00 0.00 C ATOM 862 O LEU A 56 -3.380 4.305 15.758 1.00 0.00 O ATOM 863 CB LEU A 56 -1.311 2.645 14.423 1.00 0.00 C ATOM 864 CG LEU A 56 -1.118 1.158 14.120 1.00 0.00 C ATOM 865 CD1 LEU A 56 -1.163 0.930 12.606 1.00 0.00 C ATOM 866 CD2 LEU A 56 0.232 0.700 14.671 1.00 0.00 C ATOM 0 H LEU A 56 -1.583 3.915 12.172 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.384 2.340 13.908 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.480 3.221 14.015 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.314 2.810 15.500 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.916 0.584 14.591 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.025 -0.130 12.393 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.128 1.256 12.218 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.368 1.502 12.128 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.372 -0.359 14.456 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.031 1.274 14.201 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.258 0.858 15.749 1.00 0.00 H new ATOM 878 N ASP A 57 -3.252 5.475 13.838 1.00 0.00 N ATOM 879 CA ASP A 57 -3.714 6.725 14.442 1.00 0.00 C ATOM 880 C ASP A 57 -4.913 7.275 13.680 1.00 0.00 C ATOM 881 O ASP A 57 -5.452 8.325 14.031 1.00 0.00 O ATOM 882 CB ASP A 57 -2.584 7.751 14.431 1.00 0.00 C ATOM 883 CG ASP A 57 -2.015 7.898 13.021 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.395 7.119 12.157 1.00 0.00 O ATOM 885 OD2 ASP A 57 -1.203 8.786 12.825 1.00 0.00 O ATOM 0 H ASP A 57 -3.044 5.539 12.842 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.015 6.525 15.470 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.954 8.714 14.783 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.796 7.442 15.118 1.00 0.00 H new ATOM 890 N GLY A 58 -5.327 6.562 12.637 1.00 0.00 N ATOM 891 CA GLY A 58 -6.467 6.995 11.835 1.00 0.00 C ATOM 892 C GLY A 58 -6.390 8.488 11.545 1.00 0.00 C ATOM 893 O GLY A 58 -7.276 9.250 11.928 1.00 0.00 O ATOM 0 H GLY A 58 -4.896 5.690 12.329 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.490 6.439 10.898 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.394 6.770 12.362 1.00 0.00 H new ATOM 897 N ASP A 59 -5.323 8.904 10.867 1.00 0.00 N ATOM 898 CA ASP A 59 -5.137 10.316 10.529 1.00 0.00 C ATOM 899 C ASP A 59 -5.679 10.611 9.135 1.00 0.00 C ATOM 900 O ASP A 59 -5.577 11.734 8.644 1.00 0.00 O ATOM 901 CB ASP A 59 -3.651 10.674 10.593 1.00 0.00 C ATOM 902 CG ASP A 59 -2.850 9.696 9.747 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.464 8.972 8.984 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.636 9.677 9.878 1.00 0.00 O ATOM 0 H ASP A 59 -4.577 8.289 10.542 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.687 10.920 11.251 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.497 11.691 10.234 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.304 10.645 11.626 1.00 0.00 H new ATOM 909 N GLY A 60 -6.258 9.594 8.501 1.00 0.00 N ATOM 910 CA GLY A 60 -6.819 9.758 7.164 1.00 0.00 C ATOM 911 C GLY A 60 -5.733 9.651 6.100 1.00 0.00 C ATOM 912 O GLY A 60 -6.016 9.723 4.906 1.00 0.00 O ATOM 0 H GLY A 60 -6.350 8.655 8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.581 8.998 6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.313 10.727 7.089 1.00 0.00 H new ATOM 916 N GLN A 61 -4.490 9.476 6.543 1.00 0.00 N ATOM 917 CA GLN A 61 -3.361 9.357 5.618 1.00 0.00 C ATOM 918 C GLN A 61 -2.407 8.258 6.071 1.00 0.00 C ATOM 919 O GLN A 61 -2.181 8.066 7.266 1.00 0.00 O ATOM 920 CB GLN A 61 -2.612 10.689 5.543 1.00 0.00 C ATOM 921 CG GLN A 61 -2.149 11.094 6.943 1.00 0.00 C ATOM 922 CD GLN A 61 -1.450 12.448 6.889 1.00 0.00 C ATOM 923 OE1 GLN A 61 -1.823 13.308 6.091 1.00 0.00 O ATOM 924 NE2 GLN A 61 -0.452 12.690 7.693 1.00 0.00 N ATOM 0 H GLN A 61 -4.238 9.414 7.529 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.747 9.098 4.632 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.754 10.599 4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.260 11.460 5.126 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.004 11.143 7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.470 10.341 7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.145 11.976 8.353 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.021 13.593 7.661 1.00 0.00 H new ATOM 933 N VAL A 62 -1.845 7.536 5.108 1.00 0.00 N ATOM 934 CA VAL A 62 -0.915 6.456 5.422 1.00 0.00 C ATOM 935 C VAL A 62 0.518 6.972 5.361 1.00 0.00 C ATOM 936 O VAL A 62 0.920 7.605 4.381 1.00 0.00 O ATOM 937 CB VAL A 62 -1.089 5.313 4.423 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.385 4.063 4.950 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.577 5.025 4.231 1.00 0.00 C ATOM 0 H VAL A 62 -2.014 7.676 4.112 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.124 6.090 6.427 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.651 5.596 3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.509 3.248 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.677 4.272 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.820 3.777 5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.701 4.210 3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.019 4.742 5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.074 5.917 3.851 1.00 0.00 H new ATOM 949 N ASN A 63 1.282 6.696 6.416 1.00 0.00 N ATOM 950 CA ASN A 63 2.673 7.137 6.485 1.00 0.00 C ATOM 951 C ASN A 63 3.600 6.074 5.905 1.00 0.00 C ATOM 952 O ASN A 63 3.265 4.889 5.883 1.00 0.00 O ATOM 953 CB ASN A 63 3.060 7.410 7.939 1.00 0.00 C ATOM 954 CG ASN A 63 2.177 8.512 8.516 1.00 0.00 C ATOM 955 OD1 ASN A 63 2.620 9.648 8.671 1.00 0.00 O ATOM 956 ND2 ASN A 63 0.942 8.242 8.843 1.00 0.00 N ATOM 0 H ASN A 63 0.963 6.172 7.231 1.00 0.00 H new ATOM 0 HA ASN A 63 2.775 8.052 5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.953 6.500 8.529 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.108 7.705 7.996 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.344 8.974 9.227 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.575 7.299 8.714 1.00 0.00 H new ATOM 963 N TYR A 64 4.760 6.506 5.426 1.00 0.00 N ATOM 964 CA TYR A 64 5.721 5.582 4.837 1.00 0.00 C ATOM 965 C TYR A 64 5.972 4.406 5.776 1.00 0.00 C ATOM 966 O TYR A 64 5.950 3.250 5.353 1.00 0.00 O ATOM 967 CB TYR A 64 7.043 6.311 4.574 1.00 0.00 C ATOM 968 CG TYR A 64 8.087 5.321 4.112 1.00 0.00 C ATOM 969 CD1 TYR A 64 8.160 4.956 2.763 1.00 0.00 C ATOM 970 CD2 TYR A 64 8.978 4.764 5.037 1.00 0.00 C ATOM 971 CE1 TYR A 64 9.124 4.033 2.338 1.00 0.00 C ATOM 972 CE2 TYR A 64 9.942 3.842 4.613 1.00 0.00 C ATOM 973 CZ TYR A 64 10.016 3.476 3.265 1.00 0.00 C ATOM 974 OH TYR A 64 10.965 2.568 2.846 1.00 0.00 O ATOM 0 H TYR A 64 5.057 7.482 5.433 1.00 0.00 H new ATOM 0 HA TYR A 64 5.314 5.207 3.898 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.900 7.083 3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.380 6.813 5.481 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.473 5.386 2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.922 5.046 6.078 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.180 3.751 1.297 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.629 3.413 5.327 1.00 0.00 H new ATOM 0 HH TYR A 64 11.503 2.280 3.613 1.00 0.00 H new ATOM 984 N GLU A 65 6.207 4.704 7.047 1.00 0.00 N ATOM 985 CA GLU A 65 6.461 3.657 8.029 1.00 0.00 C ATOM 986 C GLU A 65 5.271 2.706 8.115 1.00 0.00 C ATOM 987 O GLU A 65 5.439 1.485 8.175 1.00 0.00 O ATOM 988 CB GLU A 65 6.722 4.286 9.400 1.00 0.00 C ATOM 989 CG GLU A 65 5.432 4.918 9.929 1.00 0.00 C ATOM 990 CD GLU A 65 5.741 5.817 11.119 1.00 0.00 C ATOM 991 OE1 GLU A 65 6.713 6.550 11.046 1.00 0.00 O ATOM 992 OE2 GLU A 65 5.000 5.760 12.086 1.00 0.00 O ATOM 0 H GLU A 65 6.227 5.653 7.420 1.00 0.00 H new ATOM 0 HA GLU A 65 7.339 3.091 7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.080 3.528 10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.504 5.042 9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.951 5.497 9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.730 4.138 10.225 1.00 0.00 H new ATOM 999 N GLU A 66 4.068 3.272 8.121 1.00 0.00 N ATOM 1000 CA GLU A 66 2.858 2.465 8.197 1.00 0.00 C ATOM 1001 C GLU A 66 2.761 1.537 6.992 1.00 0.00 C ATOM 1002 O GLU A 66 2.353 0.383 7.111 1.00 0.00 O ATOM 1003 CB GLU A 66 1.625 3.371 8.253 1.00 0.00 C ATOM 1004 CG GLU A 66 1.572 4.085 9.605 1.00 0.00 C ATOM 1005 CD GLU A 66 0.414 5.080 9.628 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.283 5.176 8.629 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.238 5.732 10.643 1.00 0.00 O ATOM 0 H GLU A 66 3.907 4.278 8.075 1.00 0.00 H new ATOM 0 HA GLU A 66 2.901 1.861 9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.662 4.102 7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.721 2.780 8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.451 3.355 10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.512 4.605 9.787 1.00 0.00 H new ATOM 1014 N PHE A 67 3.140 2.044 5.829 1.00 0.00 N ATOM 1015 CA PHE A 67 3.100 1.240 4.615 1.00 0.00 C ATOM 1016 C PHE A 67 4.092 0.082 4.696 1.00 0.00 C ATOM 1017 O PHE A 67 3.753 -1.062 4.394 1.00 0.00 O ATOM 1018 CB PHE A 67 3.424 2.115 3.404 1.00 0.00 C ATOM 1019 CG PHE A 67 3.542 1.248 2.168 1.00 0.00 C ATOM 1020 CD1 PHE A 67 2.400 0.657 1.617 1.00 0.00 C ATOM 1021 CD2 PHE A 67 4.797 1.033 1.581 1.00 0.00 C ATOM 1022 CE1 PHE A 67 2.511 -0.149 0.476 1.00 0.00 C ATOM 1023 CE2 PHE A 67 4.906 0.228 0.441 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.764 -0.362 -0.111 1.00 0.00 C ATOM 0 H PHE A 67 3.476 2.998 5.699 1.00 0.00 H new ATOM 0 HA PHE A 67 2.097 0.827 4.509 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.643 2.862 3.263 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.356 2.655 3.572 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.434 0.822 2.071 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.679 1.488 2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.630 -0.606 0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.872 0.062 -0.013 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.849 -0.982 -0.991 1.00 0.00 H new ATOM 1034 N VAL A 68 5.323 0.392 5.091 1.00 0.00 N ATOM 1035 CA VAL A 68 6.359 -0.629 5.185 1.00 0.00 C ATOM 1036 C VAL A 68 5.950 -1.738 6.149 1.00 0.00 C ATOM 1037 O VAL A 68 5.792 -2.898 5.754 1.00 0.00 O ATOM 1038 CB VAL A 68 7.667 0.007 5.671 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.695 -1.089 5.970 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.221 0.938 4.591 1.00 0.00 C ATOM 0 H VAL A 68 5.625 1.332 5.348 1.00 0.00 H new ATOM 0 HA VAL A 68 6.500 -1.063 4.195 1.00 0.00 H new ATOM 0 HB VAL A 68 7.470 0.578 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.623 -0.633 6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.306 -1.751 6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.888 -1.664 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.150 1.388 4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.413 0.367 3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.495 1.723 4.380 1.00 0.00 H new ATOM 1050 N LYS A 69 5.788 -1.380 7.416 1.00 0.00 N ATOM 1051 CA LYS A 69 5.421 -2.361 8.427 1.00 0.00 C ATOM 1052 C LYS A 69 4.225 -3.183 7.958 1.00 0.00 C ATOM 1053 O LYS A 69 4.185 -4.400 8.142 1.00 0.00 O ATOM 1054 CB LYS A 69 5.091 -1.647 9.749 1.00 0.00 C ATOM 1055 CG LYS A 69 3.664 -1.089 9.708 1.00 0.00 C ATOM 1056 CD LYS A 69 3.408 -0.224 10.934 1.00 0.00 C ATOM 1057 CE LYS A 69 1.906 0.059 11.041 1.00 0.00 C ATOM 1058 NZ LYS A 69 1.221 -1.149 11.586 1.00 0.00 N ATOM 0 H LYS A 69 5.903 -0.429 7.765 1.00 0.00 H new ATOM 0 HA LYS A 69 6.262 -3.036 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.193 -2.343 10.582 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.801 -0.838 9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.521 -0.501 8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.945 -1.908 9.674 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.760 -0.731 11.832 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.963 0.711 10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.730 0.917 11.690 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.500 0.312 10.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.344 -1.320 11.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.848 -1.974 11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.993 -0.996 12.589 1.00 0.00 H new ATOM 1072 N MET A 70 3.245 -2.506 7.363 1.00 0.00 N ATOM 1073 CA MET A 70 2.055 -3.191 6.887 1.00 0.00 C ATOM 1074 C MET A 70 2.406 -4.170 5.780 1.00 0.00 C ATOM 1075 O MET A 70 1.915 -5.296 5.765 1.00 0.00 O ATOM 1076 CB MET A 70 1.040 -2.160 6.371 1.00 0.00 C ATOM 1077 CG MET A 70 0.282 -1.521 7.544 1.00 0.00 C ATOM 1078 SD MET A 70 -0.724 -2.773 8.385 1.00 0.00 S ATOM 1079 CE MET A 70 -1.832 -3.154 7.006 1.00 0.00 C ATOM 0 H MET A 70 3.254 -1.499 7.203 1.00 0.00 H new ATOM 0 HA MET A 70 1.618 -3.750 7.715 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.555 -1.388 5.799 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.335 -2.642 5.694 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.988 -1.078 8.246 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.355 -0.715 7.180 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.804 -3.459 7.394 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.952 -2.269 6.381 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.408 -3.963 6.412 1.00 0.00 H new ATOM 1089 N MET A 71 3.252 -3.736 4.859 1.00 0.00 N ATOM 1090 CA MET A 71 3.646 -4.585 3.757 1.00 0.00 C ATOM 1091 C MET A 71 4.280 -5.864 4.278 1.00 0.00 C ATOM 1092 O MET A 71 4.167 -6.921 3.657 1.00 0.00 O ATOM 1093 CB MET A 71 4.630 -3.841 2.850 1.00 0.00 C ATOM 1094 CG MET A 71 5.068 -4.750 1.701 1.00 0.00 C ATOM 1095 SD MET A 71 3.623 -5.279 0.750 1.00 0.00 S ATOM 1096 CE MET A 71 3.538 -3.846 -0.352 1.00 0.00 C ATOM 0 H MET A 71 3.674 -2.807 4.856 1.00 0.00 H new ATOM 0 HA MET A 71 2.759 -4.846 3.179 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.163 -2.939 2.454 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.499 -3.523 3.425 1.00 0.00 H new ATOM 0 HG2 MET A 71 5.767 -4.221 1.053 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.594 -5.620 2.094 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.859 -4.061 -1.177 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.172 -2.982 0.203 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.531 -3.631 -0.746 1.00 0.00 H new ATOM 1106 N MET A 72 4.944 -5.765 5.422 1.00 0.00 N ATOM 1107 CA MET A 72 5.586 -6.933 6.018 1.00 0.00 C ATOM 1108 C MET A 72 4.547 -7.828 6.696 1.00 0.00 C ATOM 1109 O MET A 72 4.519 -9.038 6.476 1.00 0.00 O ATOM 1110 CB MET A 72 6.634 -6.480 7.044 1.00 0.00 C ATOM 1111 CG MET A 72 7.943 -6.144 6.326 1.00 0.00 C ATOM 1112 SD MET A 72 7.621 -4.924 5.028 1.00 0.00 S ATOM 1113 CE MET A 72 9.344 -4.639 4.559 1.00 0.00 C ATOM 0 H MET A 72 5.053 -4.900 5.952 1.00 0.00 H new ATOM 0 HA MET A 72 6.075 -7.505 5.229 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.272 -5.608 7.588 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.802 -7.267 7.779 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.670 -5.752 7.037 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.375 -7.046 5.893 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.415 -3.722 3.974 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.955 -4.545 5.457 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.702 -5.478 3.963 1.00 0.00 H new ATOM 1123 N THR A 73 3.699 -7.222 7.522 1.00 0.00 N ATOM 1124 CA THR A 73 2.669 -7.974 8.227 1.00 0.00 C ATOM 1125 C THR A 73 1.897 -8.853 7.255 1.00 0.00 C ATOM 1126 O THR A 73 1.408 -9.922 7.623 1.00 0.00 O ATOM 1127 CB THR A 73 1.705 -7.011 8.924 1.00 0.00 C ATOM 1128 OG1 THR A 73 2.402 -6.286 9.930 1.00 0.00 O ATOM 1129 CG2 THR A 73 0.558 -7.801 9.559 1.00 0.00 C ATOM 0 H THR A 73 3.705 -6.221 7.718 1.00 0.00 H new ATOM 0 HA THR A 73 3.150 -8.608 8.972 1.00 0.00 H new ATOM 0 HB THR A 73 1.298 -6.313 8.192 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.000 -5.634 9.508 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.127 -7.113 10.055 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.023 -8.351 8.785 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.960 -8.502 10.290 1.00 0.00 H new ATOM 1137 N VAL A 74 1.792 -8.397 6.013 1.00 0.00 N ATOM 1138 CA VAL A 74 1.069 -9.155 4.999 1.00 0.00 C ATOM 1139 C VAL A 74 1.691 -10.539 4.823 1.00 0.00 C ATOM 1140 O VAL A 74 0.985 -11.546 4.776 1.00 0.00 O ATOM 1141 CB VAL A 74 1.105 -8.406 3.662 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.580 -9.315 2.543 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.227 -7.153 3.756 1.00 0.00 C ATOM 0 H VAL A 74 2.192 -7.518 5.686 1.00 0.00 H new ATOM 0 HA VAL A 74 0.035 -9.269 5.325 1.00 0.00 H new ATOM 0 HB VAL A 74 2.132 -8.117 3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.608 -8.778 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.205 -10.205 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.446 -9.608 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.252 -6.619 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.799 -7.444 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.603 -6.504 4.547 1.00 0.00 H new ATOM 1205 N GLY A 80 -5.182 -7.768 6.628 1.00 0.00 N ATOM 1206 CA GLY A 80 -5.882 -6.861 5.721 1.00 0.00 C ATOM 1207 C GLY A 80 -6.334 -7.594 4.466 1.00 0.00 C ATOM 1208 O GLY A 80 -5.572 -8.354 3.869 1.00 0.00 O ATOM 0 HA2 GLY A 80 -6.746 -6.429 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.226 -6.034 5.448 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.578 -7.357 4.069 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.125 -7.992 2.875 1.00 0.00 C ATOM 1214 C ASN A 81 -7.690 -7.236 1.617 1.00 0.00 C ATOM 1215 O ASN A 81 -7.411 -7.837 0.572 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.653 -8.023 2.957 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.227 -8.662 1.698 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -10.557 -7.963 0.740 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -10.366 -9.958 1.639 1.00 0.00 N ATOM 0 H ASN A 81 -8.225 -6.734 4.553 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.744 -9.012 2.819 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.967 -8.585 3.836 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.040 -7.011 3.071 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.748 -10.392 0.799 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.092 -10.537 2.433 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.614 -5.913 1.729 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.208 -5.088 0.602 1.00 0.00 C ATOM 1228 C GLY A 82 -5.694 -5.112 0.416 1.00 0.00 C ATOM 1229 O GLY A 82 -5.193 -5.157 -0.713 1.00 0.00 O ATOM 0 H GLY A 82 -7.827 -5.395 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.694 -5.444 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.541 -4.062 0.760 1.00 0.00 H new ATOM 1233 N TRP A 83 -4.969 -5.080 1.531 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.512 -5.096 1.476 1.00 0.00 C ATOM 1235 C TRP A 83 -3.023 -6.400 0.857 1.00 0.00 C ATOM 1236 O TRP A 83 -2.118 -6.402 0.026 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.934 -4.933 2.881 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.156 -3.532 3.355 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.967 -3.179 4.377 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.581 -2.295 2.842 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -3.922 -1.805 4.531 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.084 -1.214 3.605 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.681 -2.009 1.800 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.706 0.104 3.346 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.300 -0.685 1.534 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.811 0.370 2.305 1.00 0.00 C ATOM 0 H TRP A 83 -5.361 -5.043 2.472 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.174 -4.266 0.856 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.408 -5.638 3.564 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.868 -5.161 2.876 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.555 -3.859 4.976 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.444 -1.291 5.241 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.281 -2.813 1.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.101 0.912 3.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.609 -0.477 0.731 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.513 1.387 2.095 1.00 0.00 H new ATOM 1257 N SER A 84 -3.638 -7.506 1.267 1.00 0.00 N ATOM 1258 CA SER A 84 -3.271 -8.816 0.744 1.00 0.00 C ATOM 1259 C SER A 84 -3.656 -8.924 -0.728 1.00 0.00 C ATOM 1260 O SER A 84 -2.933 -9.524 -1.528 1.00 0.00 O ATOM 1261 CB SER A 84 -3.962 -9.917 1.543 1.00 0.00 C ATOM 1262 OG SER A 84 -3.808 -11.157 0.865 1.00 0.00 O ATOM 0 H SER A 84 -4.389 -7.520 1.957 1.00 0.00 H new ATOM 0 HA SER A 84 -2.192 -8.936 0.837 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.533 -9.980 2.543 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.020 -9.685 1.664 1.00 0.00 H new ATOM 0 HG SER A 84 -4.250 -11.867 1.377 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.803 -8.340 -1.083 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.262 -8.383 -2.465 1.00 0.00 C ATOM 1270 C ARG A 85 -4.232 -7.748 -3.392 1.00 0.00 C ATOM 1271 O ARG A 85 -3.911 -8.293 -4.448 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.591 -7.636 -2.589 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.113 -7.749 -4.023 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.493 -7.099 -4.117 1.00 0.00 C ATOM 1275 NE ARG A 85 -9.446 -7.826 -3.285 1.00 0.00 N ATOM 1276 CZ ARG A 85 -10.017 -8.947 -3.716 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -9.725 -9.416 -4.898 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -10.867 -9.580 -2.954 1.00 0.00 N ATOM 0 H ARG A 85 -5.419 -7.841 -0.442 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.398 -9.425 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.319 -8.051 -1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.457 -6.588 -2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.423 -7.262 -4.712 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.172 -8.797 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.437 -6.059 -3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.832 -7.094 -5.153 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.678 -7.469 -2.358 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.058 -8.923 -5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.163 -10.276 -5.228 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.093 -9.215 -2.029 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.305 -10.440 -3.284 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.711 -6.598 -2.986 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.707 -5.908 -3.784 1.00 0.00 C ATOM 1294 C LEU A 86 -1.376 -6.653 -3.753 1.00 0.00 C ATOM 1295 O LEU A 86 -0.669 -6.733 -4.757 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.523 -4.485 -3.267 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.464 -3.745 -4.127 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -1.946 -2.327 -4.443 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -0.135 -3.671 -3.363 1.00 0.00 C ATOM 0 H LEU A 86 -3.964 -6.127 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.053 -5.875 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.472 -3.950 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.208 -4.505 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.319 -4.293 -5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.197 -1.814 -5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.885 -2.376 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.099 -1.779 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.605 -3.151 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.282 -3.130 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.217 -4.680 -3.147 1.00 0.00 H new ATOM 1311 N ARG A 87 -1.041 -7.186 -2.587 1.00 0.00 N ATOM 1312 CA ARG A 87 0.207 -7.922 -2.420 1.00 0.00 C ATOM 1313 C ARG A 87 0.141 -9.257 -3.148 1.00 0.00 C ATOM 1314 O ARG A 87 1.168 -9.878 -3.421 1.00 0.00 O ATOM 1315 CB ARG A 87 0.495 -8.134 -0.917 1.00 0.00 C ATOM 1316 CG ARG A 87 1.616 -7.186 -0.468 1.00 0.00 C ATOM 1317 CD ARG A 87 2.974 -7.708 -0.991 1.00 0.00 C ATOM 1318 NE ARG A 87 3.725 -6.622 -1.600 1.00 0.00 N ATOM 1319 CZ ARG A 87 5.031 -6.725 -1.802 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.658 -7.815 -1.453 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.689 -5.744 -2.354 1.00 0.00 N ATOM 0 H ARG A 87 -1.613 -7.124 -1.744 1.00 0.00 H new ATOM 0 HA ARG A 87 1.020 -7.340 -2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.407 -7.948 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.785 -9.169 -0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.430 -6.181 -0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.635 -7.118 0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.546 -8.141 -0.171 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.811 -8.502 -1.720 1.00 0.00 H new ATOM 0 HE ARG A 87 3.240 -5.768 -1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.143 -8.585 -1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.663 -7.897 -1.607 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.199 -4.894 -2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.694 -5.827 -2.508 1.00 0.00 H new ATOM 1335 N ARG A 88 -1.069 -9.692 -3.452 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.255 -10.953 -4.149 1.00 0.00 C ATOM 1337 C ARG A 88 -1.000 -10.789 -5.642 1.00 0.00 C ATOM 1338 O ARG A 88 -0.335 -11.615 -6.266 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.675 -11.476 -3.918 1.00 0.00 C ATOM 1340 CG ARG A 88 -2.884 -12.785 -4.693 1.00 0.00 C ATOM 1341 CD ARG A 88 -1.844 -13.825 -4.253 1.00 0.00 C ATOM 1342 NE ARG A 88 -2.352 -15.168 -4.485 1.00 0.00 N ATOM 1343 CZ ARG A 88 -2.196 -15.772 -5.657 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -1.581 -15.155 -6.632 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -2.656 -16.976 -5.835 1.00 0.00 N ATOM 0 H ARG A 88 -1.932 -9.195 -3.229 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.538 -11.672 -3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.841 -11.643 -2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.403 -10.732 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.890 -13.166 -4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.797 -12.602 -5.764 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.916 -13.678 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.611 -13.693 -3.196 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.838 -15.656 -3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.222 -14.211 -6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.460 -15.618 -7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.137 -17.456 -5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.536 -17.440 -6.735 1.00 0.00 H new