USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 479 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 31 THR OG1 : rot -130:sc= 0.44 USER MOD Set 1.2: A 37 GLN : amide:sc= -6.61 K(o=-6.2,f=-9.3!) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -0.445 X(o=-0.45,f=-0.69) USER MOD Set 2.2: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -6.64! C(o=-6.6!,f=-4.6!) USER MOD Single : A 22 ASN : amide:sc= -0.675 K(o=-0.68,f=-9.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 33 ASN : amide:sc= -0.0375 K(o=-0.037,f=-1.8!) USER MOD Single : A 34 CYS SG : rot 177:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 45 ASN : amide:sc= -2.56 K(o=-2.6,f=-15!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.00087) USER MOD Single : A 54 LYS NZ :NH3+ 150:sc= -0.0744 (180deg=-0.555) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N PRO A 10 -6.917 -7.562 -4.676 1.00 0.00 N ATOM 152 CA PRO A 10 -5.592 -8.137 -4.978 1.00 0.00 C ATOM 153 C PRO A 10 -4.672 -8.127 -3.760 1.00 0.00 C ATOM 154 O PRO A 10 -3.799 -8.982 -3.614 1.00 0.00 O ATOM 155 CB PRO A 10 -5.063 -7.211 -6.065 1.00 0.00 C ATOM 156 CG PRO A 10 -5.784 -5.881 -5.907 1.00 0.00 C ATOM 157 CD PRO A 10 -7.034 -6.134 -5.059 1.00 0.00 C ATOM 0 HA PRO A 10 -5.646 -9.183 -5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.985 -7.079 -5.968 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.245 -7.633 -7.053 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.136 -5.148 -5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.057 -5.475 -6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.061 -5.486 -4.183 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.946 -5.945 -5.625 1.00 0.00 H new ATOM 165 N CYS A 11 -4.887 -7.148 -2.885 1.00 0.00 N ATOM 166 CA CYS A 11 -4.081 -7.029 -1.674 1.00 0.00 C ATOM 167 C CYS A 11 -4.584 -8.000 -0.614 1.00 0.00 C ATOM 168 O CYS A 11 -5.777 -8.294 -0.529 1.00 0.00 O ATOM 169 CB CYS A 11 -4.145 -5.605 -1.117 1.00 0.00 C ATOM 170 SG CYS A 11 -2.976 -4.548 -2.010 1.00 0.00 S ATOM 0 H CYS A 11 -5.606 -6.432 -2.990 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.048 -7.265 -1.931 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.156 -5.210 -1.216 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.907 -5.609 -0.053 1.00 0.00 H new ATOM 175 N ARG A 12 -3.655 -8.491 0.192 1.00 0.00 N ATOM 176 CA ARG A 12 -3.994 -9.434 1.258 1.00 0.00 C ATOM 177 C ARG A 12 -3.313 -9.024 2.558 1.00 0.00 C ATOM 178 O ARG A 12 -3.932 -8.999 3.622 1.00 0.00 O ATOM 179 CB ARG A 12 -3.562 -10.858 0.889 1.00 0.00 C ATOM 180 CG ARG A 12 -2.115 -10.853 0.387 1.00 0.00 C ATOM 181 CD ARG A 12 -1.790 -12.205 -0.248 1.00 0.00 C ATOM 182 NE ARG A 12 -2.662 -12.458 -1.392 1.00 0.00 N ATOM 183 CZ ARG A 12 -2.741 -13.668 -1.939 1.00 0.00 C ATOM 184 NH1 ARG A 12 -1.662 -14.256 -2.381 1.00 0.00 N ATOM 185 NH2 ARG A 12 -3.896 -14.268 -2.033 1.00 0.00 N ATOM 0 H ARG A 12 -2.664 -8.256 0.133 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.076 -9.417 1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.652 -11.511 1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.221 -11.259 0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.974 -10.054 -0.341 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.433 -10.654 1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.748 -12.222 -0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.910 -12.998 0.490 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.219 -11.695 -1.777 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.759 -13.787 -2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.722 -15.184 -2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.739 -13.809 -1.687 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.956 -15.196 -2.453 1.00 0.00 H new ATOM 199 N PHE A 13 -2.032 -8.693 2.456 1.00 0.00 N ATOM 200 CA PHE A 13 -1.265 -8.270 3.621 1.00 0.00 C ATOM 201 C PHE A 13 -0.634 -6.912 3.354 1.00 0.00 C ATOM 202 O PHE A 13 -0.264 -6.597 2.223 1.00 0.00 O ATOM 203 CB PHE A 13 -0.164 -9.281 3.944 1.00 0.00 C ATOM 204 CG PHE A 13 -0.779 -10.525 4.538 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.200 -10.530 5.873 1.00 0.00 C ATOM 206 CD2 PHE A 13 -0.931 -11.675 3.754 1.00 0.00 C ATOM 207 CE1 PHE A 13 -1.771 -11.683 6.424 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.502 -12.829 4.304 1.00 0.00 C ATOM 209 CZ PHE A 13 -1.922 -12.833 5.640 1.00 0.00 C ATOM 0 H PHE A 13 -1.504 -8.709 1.583 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.943 -8.205 4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.390 -9.533 3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.550 -8.846 4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.084 -9.643 6.478 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.607 -11.672 2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.095 -11.686 7.454 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.618 -13.716 3.698 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.362 -13.723 6.065 1.00 0.00 H new ATOM 219 N PHE A 14 -0.522 -6.103 4.401 1.00 0.00 N ATOM 220 CA PHE A 14 0.057 -4.773 4.255 1.00 0.00 C ATOM 221 C PHE A 14 1.313 -4.621 5.099 1.00 0.00 C ATOM 222 O PHE A 14 1.338 -4.969 6.280 1.00 0.00 O ATOM 223 CB PHE A 14 -0.948 -3.702 4.674 1.00 0.00 C ATOM 224 CG PHE A 14 -1.952 -3.512 3.569 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.772 -4.575 3.175 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.056 -2.276 2.934 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.698 -4.395 2.142 1.00 0.00 C ATOM 228 CE2 PHE A 14 -2.979 -2.092 1.902 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.801 -3.152 1.504 1.00 0.00 C ATOM 0 H PHE A 14 -0.820 -6.340 5.347 1.00 0.00 H new ATOM 0 HA PHE A 14 0.316 -4.647 3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.452 -3.998 5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.434 -2.763 4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.690 -5.533 3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.421 -1.458 3.241 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.333 -5.214 1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.058 -1.133 1.412 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.514 -3.012 0.705 1.00 0.00 H new ATOM 239 N GLU A 15 2.350 -4.080 4.474 1.00 0.00 N ATOM 240 CA GLU A 15 3.620 -3.859 5.173 1.00 0.00 C ATOM 241 C GLU A 15 3.793 -2.373 5.493 1.00 0.00 C ATOM 242 O GLU A 15 4.533 -1.655 4.823 1.00 0.00 O ATOM 243 CB GLU A 15 4.836 -4.353 4.356 1.00 0.00 C ATOM 244 CG GLU A 15 4.563 -4.316 2.841 1.00 0.00 C ATOM 245 CD GLU A 15 4.271 -2.886 2.394 1.00 0.00 C ATOM 246 OE1 GLU A 15 3.261 -2.350 2.811 1.00 0.00 O ATOM 247 OE2 GLU A 15 5.057 -2.352 1.633 1.00 0.00 O ATOM 0 H GLU A 15 2.344 -3.787 3.497 1.00 0.00 H new ATOM 0 HA GLU A 15 3.581 -4.439 6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.703 -3.733 4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.085 -5.371 4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.425 -4.706 2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.717 -4.960 2.600 1.00 0.00 H new ATOM 254 N SER A 16 3.088 -1.920 6.527 1.00 0.00 N ATOM 255 CA SER A 16 3.148 -0.516 6.935 1.00 0.00 C ATOM 256 C SER A 16 4.567 -0.107 7.336 1.00 0.00 C ATOM 257 O SER A 16 4.932 1.066 7.250 1.00 0.00 O ATOM 258 CB SER A 16 2.213 -0.269 8.118 1.00 0.00 C ATOM 259 OG SER A 16 2.695 -0.978 9.253 1.00 0.00 O ATOM 0 H SER A 16 2.471 -2.500 7.096 1.00 0.00 H new ATOM 0 HA SER A 16 2.838 0.083 6.079 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.159 0.797 8.337 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.203 -0.596 7.872 1.00 0.00 H new ATOM 0 HG SER A 16 2.099 -0.821 10.015 1.00 0.00 H new ATOM 265 N HIS A 17 5.362 -1.078 7.784 1.00 0.00 N ATOM 266 CA HIS A 17 6.739 -0.796 8.207 1.00 0.00 C ATOM 267 C HIS A 17 7.537 -0.106 7.098 1.00 0.00 C ATOM 268 O HIS A 17 8.490 0.627 7.364 1.00 0.00 O ATOM 269 CB HIS A 17 7.450 -2.092 8.608 1.00 0.00 C ATOM 270 CG HIS A 17 7.465 -3.060 7.455 1.00 0.00 C ATOM 271 ND1 HIS A 17 6.799 -4.274 7.501 1.00 0.00 N ATOM 272 CD2 HIS A 17 8.073 -3.013 6.224 1.00 0.00 C ATOM 273 CE1 HIS A 17 7.019 -4.902 6.332 1.00 0.00 C ATOM 274 NE2 HIS A 17 7.790 -4.178 5.518 1.00 0.00 N ATOM 0 H HIS A 17 5.084 -2.056 7.864 1.00 0.00 H new ATOM 0 HA HIS A 17 6.685 -0.125 9.064 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.471 -1.873 8.920 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.945 -2.542 9.463 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.678 -2.196 5.860 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.620 -5.874 6.082 1.00 0.00 H new ATOM 0 HE2 HIS A 17 8.104 -4.426 4.580 1.00 0.00 H new ATOM 282 N VAL A 18 7.138 -0.354 5.854 1.00 0.00 N ATOM 283 CA VAL A 18 7.812 0.234 4.697 1.00 0.00 C ATOM 284 C VAL A 18 7.906 1.755 4.825 1.00 0.00 C ATOM 285 O VAL A 18 7.145 2.392 5.554 1.00 0.00 O ATOM 286 CB VAL A 18 7.052 -0.139 3.409 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.626 0.594 2.186 1.00 0.00 C ATOM 288 CG2 VAL A 18 7.179 -1.642 3.184 1.00 0.00 C ATOM 0 H VAL A 18 6.351 -0.959 5.619 1.00 0.00 H new ATOM 0 HA VAL A 18 8.826 -0.164 4.652 1.00 0.00 H new ATOM 0 HB VAL A 18 6.009 0.154 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.067 0.308 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.544 1.671 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.674 0.324 2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.645 -1.920 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.231 -1.907 3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.751 -2.174 4.033 1.00 0.00 H new ATOM 298 N ALA A 19 8.852 2.313 4.084 1.00 0.00 N ATOM 299 CA ALA A 19 9.070 3.749 4.071 1.00 0.00 C ATOM 300 C ALA A 19 9.461 4.189 2.666 1.00 0.00 C ATOM 301 O ALA A 19 10.195 3.496 1.963 1.00 0.00 O ATOM 302 CB ALA A 19 10.178 4.137 5.050 1.00 0.00 C ATOM 0 H ALA A 19 9.484 1.787 3.480 1.00 0.00 H new ATOM 0 HA ALA A 19 8.147 4.244 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.325 5.217 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.896 3.833 6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.105 3.638 4.767 1.00 0.00 H new ATOM 308 N ARG A 20 8.949 5.348 2.263 1.00 0.00 N ATOM 309 CA ARG A 20 9.219 5.903 0.928 1.00 0.00 C ATOM 310 C ARG A 20 10.692 5.768 0.522 1.00 0.00 C ATOM 311 O ARG A 20 11.013 5.679 -0.664 1.00 0.00 O ATOM 312 CB ARG A 20 8.835 7.377 0.892 1.00 0.00 C ATOM 313 CG ARG A 20 8.484 7.782 -0.541 1.00 0.00 C ATOM 314 CD ARG A 20 7.743 9.121 -0.528 1.00 0.00 C ATOM 315 NE ARG A 20 6.766 9.179 -1.612 1.00 0.00 N ATOM 316 CZ ARG A 20 7.114 9.594 -2.827 1.00 0.00 C ATOM 317 NH1 ARG A 20 7.561 10.807 -2.999 1.00 0.00 N ATOM 318 NH2 ARG A 20 7.008 8.786 -3.846 1.00 0.00 N ATOM 0 H ARG A 20 8.341 5.928 2.841 1.00 0.00 H new ATOM 0 HA ARG A 20 8.620 5.330 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.985 7.558 1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.659 7.987 1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.391 7.863 -1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.863 7.016 -1.005 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.240 9.255 0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.457 9.939 -0.630 1.00 0.00 H new ATOM 0 HE ARG A 20 5.802 8.897 -1.435 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.644 11.438 -2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.828 11.125 -3.931 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.659 7.837 -3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.274 9.103 -4.778 1.00 0.00 H new ATOM 332 N ALA A 21 11.581 5.760 1.511 1.00 0.00 N ATOM 333 CA ALA A 21 13.012 5.643 1.237 1.00 0.00 C ATOM 334 C ALA A 21 13.323 4.347 0.492 1.00 0.00 C ATOM 335 O ALA A 21 13.801 4.365 -0.642 1.00 0.00 O ATOM 336 CB ALA A 21 13.811 5.669 2.541 1.00 0.00 C ATOM 0 H ALA A 21 11.341 5.832 2.500 1.00 0.00 H new ATOM 0 HA ALA A 21 13.297 6.491 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.874 5.581 2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.626 6.608 3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.503 4.836 3.173 1.00 0.00 H new ATOM 342 N ASN A 22 13.053 3.225 1.147 1.00 0.00 N ATOM 343 CA ASN A 22 13.312 1.919 0.545 1.00 0.00 C ATOM 344 C ASN A 22 12.268 1.567 -0.517 1.00 0.00 C ATOM 345 O ASN A 22 12.423 0.581 -1.236 1.00 0.00 O ATOM 346 CB ASN A 22 13.323 0.833 1.621 1.00 0.00 C ATOM 347 CG ASN A 22 12.021 0.871 2.412 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.711 1.866 3.065 1.00 0.00 O ATOM 349 ND2 ASN A 22 11.237 -0.173 2.398 1.00 0.00 N ATOM 0 H ASN A 22 12.658 3.190 2.087 1.00 0.00 H new ATOM 0 HA ASN A 22 14.288 1.972 0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.450 -0.146 1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.170 0.982 2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.366 -0.164 2.929 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.495 -0.998 1.856 1.00 0.00 H new ATOM 356 N VAL A 23 11.212 2.375 -0.630 1.00 0.00 N ATOM 357 CA VAL A 23 10.185 2.108 -1.634 1.00 0.00 C ATOM 358 C VAL A 23 10.722 2.489 -3.011 1.00 0.00 C ATOM 359 O VAL A 23 11.366 3.526 -3.176 1.00 0.00 O ATOM 360 CB VAL A 23 8.910 2.903 -1.332 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.815 2.534 -2.339 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.425 2.574 0.089 1.00 0.00 C ATOM 0 H VAL A 23 11.048 3.200 -0.053 1.00 0.00 H new ATOM 0 HA VAL A 23 9.936 1.047 -1.614 1.00 0.00 H new ATOM 0 HB VAL A 23 9.127 3.968 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.912 3.103 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.154 2.769 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.599 1.468 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.518 3.139 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.214 1.507 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.199 2.842 0.809 1.00 0.00 H new ATOM 372 N LYS A 24 10.472 1.630 -3.991 1.00 0.00 N ATOM 373 CA LYS A 24 10.958 1.876 -5.346 1.00 0.00 C ATOM 374 C LYS A 24 9.945 2.678 -6.155 1.00 0.00 C ATOM 375 O LYS A 24 10.266 3.731 -6.706 1.00 0.00 O ATOM 376 CB LYS A 24 11.226 0.552 -6.063 1.00 0.00 C ATOM 377 CG LYS A 24 12.195 0.787 -7.223 1.00 0.00 C ATOM 378 CD LYS A 24 13.634 0.673 -6.719 1.00 0.00 C ATOM 379 CE LYS A 24 14.528 1.644 -7.495 1.00 0.00 C ATOM 380 NZ LYS A 24 15.148 0.933 -8.648 1.00 0.00 N ATOM 0 H LYS A 24 9.942 0.766 -3.877 1.00 0.00 H new ATOM 0 HA LYS A 24 11.883 2.447 -5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.646 -0.173 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.292 0.132 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.017 0.057 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.028 1.773 -7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.676 0.897 -5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.994 -0.348 -6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.941 2.492 -7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.303 2.044 -6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.756 1.592 -9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.721 0.138 -8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.401 0.572 -9.276 1.00 0.00 H new ATOM 394 N HIS A 25 8.721 2.169 -6.226 1.00 0.00 N ATOM 395 CA HIS A 25 7.675 2.853 -6.981 1.00 0.00 C ATOM 396 C HIS A 25 6.311 2.604 -6.351 1.00 0.00 C ATOM 397 O HIS A 25 6.171 1.784 -5.445 1.00 0.00 O ATOM 398 CB HIS A 25 7.651 2.361 -8.430 1.00 0.00 C ATOM 399 CG HIS A 25 7.173 3.467 -9.331 1.00 0.00 C ATOM 400 ND1 HIS A 25 7.841 4.677 -9.433 1.00 0.00 N ATOM 401 CD2 HIS A 25 6.096 3.562 -10.176 1.00 0.00 C ATOM 402 CE1 HIS A 25 7.166 5.441 -10.311 1.00 0.00 C ATOM 403 NE2 HIS A 25 6.093 4.808 -10.794 1.00 0.00 N ATOM 0 H HIS A 25 8.430 1.300 -5.779 1.00 0.00 H new ATOM 0 HA HIS A 25 7.893 3.921 -6.963 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.647 2.038 -8.731 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.994 1.496 -8.520 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.362 2.787 -10.337 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.456 6.443 -10.591 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.417 5.162 -11.471 1.00 0.00 H new ATOM 411 N LEU A 26 5.305 3.322 -6.843 1.00 0.00 N ATOM 412 CA LEU A 26 3.953 3.166 -6.317 1.00 0.00 C ATOM 413 C LEU A 26 2.972 2.833 -7.430 1.00 0.00 C ATOM 414 O LEU A 26 3.099 3.301 -8.563 1.00 0.00 O ATOM 415 CB LEU A 26 3.479 4.448 -5.630 1.00 0.00 C ATOM 416 CG LEU A 26 3.911 4.463 -4.159 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.446 5.773 -3.514 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.282 3.277 -3.410 1.00 0.00 C ATOM 0 H LEU A 26 5.397 4.007 -7.593 1.00 0.00 H new ATOM 0 HA LEU A 26 3.985 2.351 -5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.891 5.316 -6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.394 4.523 -5.697 1.00 0.00 H new ATOM 0 HG LEU A 26 4.997 4.383 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.750 5.791 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.897 6.616 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.360 5.845 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.596 3.298 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.196 3.348 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.608 2.343 -3.868 1.00 0.00 H new ATOM 430 N LYS A 27 1.982 2.029 -7.078 1.00 0.00 N ATOM 431 CA LYS A 27 0.947 1.630 -8.029 1.00 0.00 C ATOM 432 C LYS A 27 -0.348 1.319 -7.284 1.00 0.00 C ATOM 433 O LYS A 27 -0.335 1.085 -6.079 1.00 0.00 O ATOM 434 CB LYS A 27 1.387 0.392 -8.817 1.00 0.00 C ATOM 435 CG LYS A 27 2.025 0.824 -10.139 1.00 0.00 C ATOM 436 CD LYS A 27 2.644 -0.392 -10.833 1.00 0.00 C ATOM 437 CE LYS A 27 4.135 -0.469 -10.501 1.00 0.00 C ATOM 438 NZ LYS A 27 4.913 0.259 -11.543 1.00 0.00 N ATOM 0 H LYS A 27 1.870 1.638 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 27 0.783 2.453 -8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.099 -0.190 -8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.529 -0.253 -9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.275 1.281 -10.784 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.790 1.579 -9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.141 -1.303 -10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.505 -0.318 -11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.323 -0.033 -9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.455 -1.510 -10.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.927 0.207 -11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.741 -0.176 -12.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.614 1.255 -11.567 1.00 0.00 H new ATOM 452 N ILE A 28 -1.466 1.320 -8.008 1.00 0.00 N ATOM 453 CA ILE A 28 -2.756 1.035 -7.394 1.00 0.00 C ATOM 454 C ILE A 28 -3.612 0.186 -8.330 1.00 0.00 C ATOM 455 O ILE A 28 -3.466 0.241 -9.552 1.00 0.00 O ATOM 456 CB ILE A 28 -3.498 2.336 -7.079 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.606 3.235 -6.220 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.786 2.022 -6.318 1.00 0.00 C ATOM 459 CD1 ILE A 28 -1.825 4.193 -7.121 1.00 0.00 C ATOM 0 H ILE A 28 -1.503 1.513 -9.009 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.577 0.488 -6.468 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.744 2.847 -8.010 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.214 3.799 -5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.917 2.627 -5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.312 2.950 -6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.422 1.382 -6.929 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.543 1.510 -5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.190 4.833 -6.508 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.205 3.620 -7.810 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.523 4.810 -7.687 1.00 0.00 H new ATOM 471 N LEU A 29 -4.513 -0.593 -7.740 1.00 0.00 N ATOM 472 CA LEU A 29 -5.400 -1.446 -8.525 1.00 0.00 C ATOM 473 C LEU A 29 -6.851 -1.039 -8.295 1.00 0.00 C ATOM 474 O LEU A 29 -7.372 -1.141 -7.184 1.00 0.00 O ATOM 475 CB LEU A 29 -5.228 -2.918 -8.131 1.00 0.00 C ATOM 476 CG LEU A 29 -3.968 -3.510 -8.782 1.00 0.00 C ATOM 477 CD1 LEU A 29 -4.085 -3.441 -10.307 1.00 0.00 C ATOM 478 CD2 LEU A 29 -2.730 -2.727 -8.330 1.00 0.00 C ATOM 0 H LEU A 29 -4.648 -0.652 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.142 -1.325 -9.577 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.158 -3.004 -7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.105 -3.487 -8.440 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.870 -4.551 -8.475 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.188 -3.863 -10.760 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.957 -4.009 -10.631 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.194 -2.402 -10.617 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.841 -3.152 -8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.831 -1.683 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.637 -2.788 -7.246 1.00 0.00 H new ATOM 490 N ASN A 30 -7.497 -0.572 -9.357 1.00 0.00 N ATOM 491 CA ASN A 30 -8.890 -0.147 -9.261 1.00 0.00 C ATOM 492 C ASN A 30 -9.825 -1.292 -9.644 1.00 0.00 C ATOM 493 O ASN A 30 -10.395 -1.316 -10.735 1.00 0.00 O ATOM 494 CB ASN A 30 -9.151 1.048 -10.182 1.00 0.00 C ATOM 495 CG ASN A 30 -10.404 1.782 -9.720 1.00 0.00 C ATOM 496 OD1 ASN A 30 -10.463 2.276 -8.593 1.00 0.00 O ATOM 497 ND2 ASN A 30 -11.422 1.886 -10.531 1.00 0.00 N ATOM 0 H ASN A 30 -7.085 -0.478 -10.285 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.083 0.146 -8.229 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.296 1.724 -10.170 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.274 0.708 -11.210 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.265 2.376 -10.231 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.374 1.477 -11.464 1.00 0.00 H new ATOM 504 N THR A 31 -9.975 -2.241 -8.726 1.00 0.00 N ATOM 505 CA THR A 31 -10.841 -3.392 -8.958 1.00 0.00 C ATOM 506 C THR A 31 -12.307 -2.981 -8.768 1.00 0.00 C ATOM 507 O THR A 31 -12.602 -2.109 -7.951 1.00 0.00 O ATOM 508 CB THR A 31 -10.493 -4.515 -7.970 1.00 0.00 C ATOM 509 OG1 THR A 31 -9.170 -4.329 -7.482 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.584 -5.874 -8.667 1.00 0.00 C ATOM 0 H THR A 31 -9.510 -2.237 -7.818 1.00 0.00 H new ATOM 0 HA THR A 31 -10.692 -3.750 -9.977 1.00 0.00 H new ATOM 0 HB THR A 31 -11.200 -4.486 -7.141 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.669 -5.167 -7.569 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.335 -6.664 -7.958 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.598 -6.025 -9.038 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.884 -5.902 -9.502 1.00 0.00 H new ATOM 518 N PRO A 32 -13.247 -3.593 -9.509 1.00 0.00 N ATOM 519 CA PRO A 32 -14.679 -3.254 -9.383 1.00 0.00 C ATOM 520 C PRO A 32 -15.305 -3.873 -8.141 1.00 0.00 C ATOM 521 O PRO A 32 -16.033 -3.214 -7.399 1.00 0.00 O ATOM 522 CB PRO A 32 -15.282 -3.826 -10.658 1.00 0.00 C ATOM 523 CG PRO A 32 -14.346 -4.923 -11.137 1.00 0.00 C ATOM 524 CD PRO A 32 -12.975 -4.656 -10.509 1.00 0.00 C ATOM 0 HA PRO A 32 -14.851 -2.184 -9.270 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.279 -4.225 -10.468 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.388 -3.050 -11.417 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.720 -5.903 -10.842 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.277 -4.922 -12.225 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.568 -5.552 -10.040 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.250 -4.329 -11.254 1.00 0.00 H new ATOM 532 N ASN A 33 -14.993 -5.143 -7.911 1.00 0.00 N ATOM 533 CA ASN A 33 -15.508 -5.841 -6.741 1.00 0.00 C ATOM 534 C ASN A 33 -15.012 -5.159 -5.463 1.00 0.00 C ATOM 535 O ASN A 33 -15.669 -5.203 -4.422 1.00 0.00 O ATOM 536 CB ASN A 33 -15.048 -7.300 -6.739 1.00 0.00 C ATOM 537 CG ASN A 33 -15.883 -8.097 -7.736 1.00 0.00 C ATOM 538 OD1 ASN A 33 -16.271 -7.580 -8.783 1.00 0.00 O ATOM 539 ND2 ASN A 33 -16.185 -9.338 -7.470 1.00 0.00 N ATOM 0 H ASN A 33 -14.392 -5.705 -8.513 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.597 -5.809 -6.777 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.992 -7.360 -7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.152 -7.724 -5.740 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.743 -9.880 -8.130 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.863 -9.766 -6.602 1.00 0.00 H new ATOM 546 N CYS A 34 -13.844 -4.523 -5.562 1.00 0.00 N ATOM 547 CA CYS A 34 -13.257 -3.823 -4.423 1.00 0.00 C ATOM 548 C CYS A 34 -13.261 -2.318 -4.684 1.00 0.00 C ATOM 549 O CYS A 34 -13.792 -1.857 -5.694 1.00 0.00 O ATOM 550 CB CYS A 34 -11.821 -4.299 -4.196 1.00 0.00 C ATOM 551 SG CYS A 34 -11.842 -5.875 -3.308 1.00 0.00 S ATOM 0 H CYS A 34 -13.289 -4.479 -6.417 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.849 -4.039 -3.534 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -11.309 -4.414 -5.152 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.266 -3.555 -3.625 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.626 -6.317 -3.179 1.00 0.00 H new ATOM 556 N ALA A 35 -12.670 -1.554 -3.769 1.00 0.00 N ATOM 557 CA ALA A 35 -12.628 -0.103 -3.928 1.00 0.00 C ATOM 558 C ALA A 35 -11.236 0.362 -4.371 1.00 0.00 C ATOM 559 O ALA A 35 -10.999 0.592 -5.556 1.00 0.00 O ATOM 560 CB ALA A 35 -13.017 0.593 -2.618 1.00 0.00 C ATOM 0 H ALA A 35 -12.221 -1.907 -2.924 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.346 0.168 -4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.980 1.674 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.027 0.297 -2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.320 0.303 -1.831 1.00 0.00 H new ATOM 566 N LEU A 36 -10.322 0.500 -3.411 1.00 0.00 N ATOM 567 CA LEU A 36 -8.962 0.945 -3.716 1.00 0.00 C ATOM 568 C LEU A 36 -7.950 0.114 -2.930 1.00 0.00 C ATOM 569 O LEU A 36 -8.147 -0.182 -1.751 1.00 0.00 O ATOM 570 CB LEU A 36 -8.792 2.431 -3.350 1.00 0.00 C ATOM 571 CG LEU A 36 -8.726 3.297 -4.617 1.00 0.00 C ATOM 572 CD1 LEU A 36 -7.536 2.866 -5.481 1.00 0.00 C ATOM 573 CD2 LEU A 36 -10.023 3.148 -5.418 1.00 0.00 C ATOM 0 H LEU A 36 -10.496 0.312 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.788 0.815 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.624 2.754 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.883 2.565 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.601 4.340 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.495 3.484 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.613 2.987 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.653 1.820 -5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.969 3.765 -6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.157 2.104 -5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.867 3.469 -4.807 1.00 0.00 H new ATOM 585 N GLN A 37 -6.864 -0.250 -3.599 1.00 0.00 N ATOM 586 CA GLN A 37 -5.813 -1.041 -2.969 1.00 0.00 C ATOM 587 C GLN A 37 -4.454 -0.556 -3.453 1.00 0.00 C ATOM 588 O GLN A 37 -3.948 -1.017 -4.477 1.00 0.00 O ATOM 589 CB GLN A 37 -5.964 -2.524 -3.319 1.00 0.00 C ATOM 590 CG GLN A 37 -7.393 -2.985 -3.023 1.00 0.00 C ATOM 591 CD GLN A 37 -8.227 -2.923 -4.299 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.259 -1.903 -4.987 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.913 -3.970 -4.661 1.00 0.00 N ATOM 0 H GLN A 37 -6.687 -0.012 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.894 -0.922 -1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.732 -2.684 -4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.254 -3.117 -2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.384 -4.002 -2.632 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.838 -2.352 -2.255 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.889 -4.817 -4.093 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.474 -3.943 -5.512 1.00 0.00 H new ATOM 602 N ILE A 38 -3.871 0.387 -2.718 1.00 0.00 N ATOM 603 CA ILE A 38 -2.574 0.924 -3.111 1.00 0.00 C ATOM 604 C ILE A 38 -1.493 -0.139 -2.983 1.00 0.00 C ATOM 605 O ILE A 38 -1.182 -0.623 -1.891 1.00 0.00 O ATOM 606 CB ILE A 38 -2.180 2.140 -2.269 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.315 3.169 -2.287 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.915 2.768 -2.870 1.00 0.00 C ATOM 609 CD1 ILE A 38 -2.971 4.325 -1.346 1.00 0.00 C ATOM 0 H ILE A 38 -4.265 0.787 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.664 1.238 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.992 1.831 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.465 3.543 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.250 2.701 -1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.624 3.636 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.107 2.036 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.115 3.078 -3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.778 5.057 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.843 3.944 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.046 4.799 -1.675 1.00 0.00 H new ATOM 621 N VAL A 39 -0.905 -0.466 -4.121 1.00 0.00 N ATOM 622 CA VAL A 39 0.168 -1.444 -4.162 1.00 0.00 C ATOM 623 C VAL A 39 1.493 -0.710 -4.269 1.00 0.00 C ATOM 624 O VAL A 39 1.526 0.513 -4.407 1.00 0.00 O ATOM 625 CB VAL A 39 0.006 -2.395 -5.352 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.275 -3.213 -5.180 1.00 0.00 C ATOM 627 CG2 VAL A 39 -0.079 -1.589 -6.650 1.00 0.00 C ATOM 0 H VAL A 39 -1.152 -0.069 -5.028 1.00 0.00 H new ATOM 0 HA VAL A 39 0.137 -2.041 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 39 0.865 -3.064 -5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.391 -3.890 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.216 -3.792 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.132 -2.541 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.194 -2.269 -7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.936 -0.917 -6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.833 -1.005 -6.776 1.00 0.00 H new ATOM 637 N ALA A 40 2.583 -1.454 -4.186 1.00 0.00 N ATOM 638 CA ALA A 40 3.896 -0.836 -4.256 1.00 0.00 C ATOM 639 C ALA A 40 4.968 -1.848 -4.601 1.00 0.00 C ATOM 640 O ALA A 40 4.700 -3.034 -4.769 1.00 0.00 O ATOM 641 CB ALA A 40 4.248 -0.219 -2.909 1.00 0.00 C ATOM 0 H ALA A 40 2.587 -2.468 -4.072 1.00 0.00 H new ATOM 0 HA ALA A 40 3.857 -0.075 -5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.234 0.243 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.507 0.538 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.256 -0.995 -2.144 1.00 0.00 H new ATOM 647 N ARG A 41 6.194 -1.347 -4.678 1.00 0.00 N ATOM 648 CA ARG A 41 7.349 -2.185 -4.972 1.00 0.00 C ATOM 649 C ARG A 41 8.539 -1.702 -4.145 1.00 0.00 C ATOM 650 O ARG A 41 9.057 -0.604 -4.360 1.00 0.00 O ATOM 651 CB ARG A 41 7.688 -2.131 -6.462 1.00 0.00 C ATOM 652 CG ARG A 41 8.860 -3.077 -6.770 1.00 0.00 C ATOM 653 CD ARG A 41 8.499 -3.985 -7.949 1.00 0.00 C ATOM 654 NE ARG A 41 8.895 -3.372 -9.214 1.00 0.00 N ATOM 655 CZ ARG A 41 8.023 -2.678 -9.940 1.00 0.00 C ATOM 656 NH1 ARG A 41 7.043 -3.291 -10.545 1.00 0.00 N ATOM 657 NH2 ARG A 41 8.149 -1.384 -10.048 1.00 0.00 N ATOM 0 H ARG A 41 6.415 -0.361 -4.540 1.00 0.00 H new ATOM 0 HA ARG A 41 7.117 -3.218 -4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.816 -2.415 -7.052 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.948 -1.112 -6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.754 -2.499 -7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.092 -3.680 -5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.994 -4.950 -7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.426 -4.176 -7.952 1.00 0.00 H new ATOM 0 HE ARG A 41 9.854 -3.478 -9.545 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.945 -4.303 -10.461 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.375 -2.758 -11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.916 -0.905 -9.576 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.481 -0.851 -10.605 1.00 0.00 H new ATOM 671 N LEU A 42 8.942 -2.523 -3.175 1.00 0.00 N ATOM 672 CA LEU A 42 10.045 -2.165 -2.288 1.00 0.00 C ATOM 673 C LEU A 42 11.400 -2.399 -2.946 1.00 0.00 C ATOM 674 O LEU A 42 11.522 -3.139 -3.924 1.00 0.00 O ATOM 675 CB LEU A 42 9.976 -2.982 -0.996 1.00 0.00 C ATOM 676 CG LEU A 42 8.561 -2.944 -0.405 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.547 -3.731 0.906 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.146 -1.493 -0.129 1.00 0.00 C ATOM 0 H LEU A 42 8.524 -3.434 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 42 9.944 -1.103 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.264 -4.014 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.689 -2.587 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 42 7.862 -3.386 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.544 -3.709 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.837 -4.764 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.250 -3.282 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.140 -1.476 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.842 -1.044 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.160 -0.927 -1.060 1.00 0.00 H new ATOM 690 N LYS A 43 12.413 -1.739 -2.382 1.00 0.00 N ATOM 691 CA LYS A 43 13.779 -1.833 -2.890 1.00 0.00 C ATOM 692 C LYS A 43 14.637 -2.734 -2.004 1.00 0.00 C ATOM 693 O LYS A 43 15.427 -3.540 -2.496 1.00 0.00 O ATOM 694 CB LYS A 43 14.410 -0.437 -2.919 1.00 0.00 C ATOM 695 CG LYS A 43 15.446 -0.346 -4.039 1.00 0.00 C ATOM 696 CD LYS A 43 16.592 -1.324 -3.770 1.00 0.00 C ATOM 697 CE LYS A 43 17.864 -0.819 -4.454 1.00 0.00 C ATOM 698 NZ LYS A 43 18.523 0.201 -3.590 1.00 0.00 N ATOM 0 H LYS A 43 12.310 -1.131 -1.569 1.00 0.00 H new ATOM 0 HA LYS A 43 13.737 -2.258 -3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.636 0.316 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.882 -0.224 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.979 -0.574 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.833 0.671 -4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.757 -1.421 -2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.334 -2.315 -4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 43 18.545 -1.650 -4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.620 -0.386 -5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.388 0.544 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.873 0.998 -3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 18.769 -0.226 -2.674 1.00 0.00 H new ATOM 712 N ASN A 44 14.485 -2.573 -0.690 1.00 0.00 N ATOM 713 CA ASN A 44 15.261 -3.357 0.282 1.00 0.00 C ATOM 714 C ASN A 44 15.297 -4.842 -0.082 1.00 0.00 C ATOM 715 O ASN A 44 16.304 -5.520 0.116 1.00 0.00 O ATOM 716 CB ASN A 44 14.661 -3.207 1.681 1.00 0.00 C ATOM 717 CG ASN A 44 15.754 -3.403 2.726 1.00 0.00 C ATOM 718 OD1 ASN A 44 16.343 -4.480 2.824 1.00 0.00 O ATOM 719 ND2 ASN A 44 16.063 -2.416 3.521 1.00 0.00 N ATOM 0 H ASN A 44 13.834 -1.909 -0.270 1.00 0.00 H new ATOM 0 HA ASN A 44 16.280 -2.971 0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.210 -2.221 1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.867 -3.939 1.828 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.792 -2.536 4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.575 -1.524 3.440 1.00 0.00 H new ATOM 726 N ASN A 45 14.183 -5.335 -0.609 1.00 0.00 N ATOM 727 CA ASN A 45 14.093 -6.746 -0.993 1.00 0.00 C ATOM 728 C ASN A 45 13.816 -6.906 -2.490 1.00 0.00 C ATOM 729 O ASN A 45 14.106 -7.949 -3.076 1.00 0.00 O ATOM 730 CB ASN A 45 12.983 -7.440 -0.197 1.00 0.00 C ATOM 731 CG ASN A 45 11.633 -6.775 -0.468 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.556 -5.769 -1.169 1.00 0.00 O ATOM 733 ND2 ASN A 45 10.553 -7.285 0.057 1.00 0.00 N ATOM 0 H ASN A 45 13.338 -4.791 -0.780 1.00 0.00 H new ATOM 0 HA ASN A 45 15.055 -7.208 -0.769 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.937 -8.494 -0.470 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.209 -7.396 0.868 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.647 -6.849 -0.115 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.614 -8.120 0.639 1.00 0.00 H new ATOM 740 N ASN A 46 13.242 -5.869 -3.100 1.00 0.00 N ATOM 741 CA ASN A 46 12.911 -5.901 -4.528 1.00 0.00 C ATOM 742 C ASN A 46 11.704 -6.805 -4.759 1.00 0.00 C ATOM 743 O ASN A 46 11.829 -7.926 -5.254 1.00 0.00 O ATOM 744 CB ASN A 46 14.093 -6.403 -5.371 1.00 0.00 C ATOM 745 CG ASN A 46 13.904 -5.973 -6.821 1.00 0.00 C ATOM 746 OD1 ASN A 46 13.945 -4.782 -7.133 1.00 0.00 O ATOM 747 ND2 ASN A 46 13.697 -6.879 -7.737 1.00 0.00 N ATOM 0 H ASN A 46 12.996 -4.997 -2.630 1.00 0.00 H new ATOM 0 HA ASN A 46 12.679 -4.882 -4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.028 -6.001 -4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.162 -7.489 -5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.569 -6.601 -8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.663 -7.866 -7.480 1.00 0.00 H new ATOM 754 N ARG A 47 10.533 -6.301 -4.383 1.00 0.00 N ATOM 755 CA ARG A 47 9.297 -7.067 -4.542 1.00 0.00 C ATOM 756 C ARG A 47 8.087 -6.141 -4.442 1.00 0.00 C ATOM 757 O ARG A 47 8.193 -5.009 -3.973 1.00 0.00 O ATOM 758 CB ARG A 47 9.203 -8.155 -3.458 1.00 0.00 C ATOM 759 CG ARG A 47 9.072 -9.534 -4.113 1.00 0.00 C ATOM 760 CD ARG A 47 8.677 -10.567 -3.056 1.00 0.00 C ATOM 761 NE ARG A 47 9.650 -10.587 -1.968 1.00 0.00 N ATOM 762 CZ ARG A 47 10.283 -11.709 -1.636 1.00 0.00 C ATOM 763 NH1 ARG A 47 9.631 -12.680 -1.057 1.00 0.00 N ATOM 764 NH2 ARG A 47 11.557 -11.838 -1.889 1.00 0.00 N ATOM 0 H ARG A 47 10.411 -5.376 -3.970 1.00 0.00 H new ATOM 0 HA ARG A 47 9.307 -7.540 -5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.089 -8.127 -2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.344 -7.966 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.323 -9.503 -4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.016 -9.818 -4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.688 -10.332 -2.662 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.613 -11.555 -3.512 1.00 0.00 H new ATOM 0 HE ARG A 47 9.847 -9.728 -1.455 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.636 -12.579 -0.859 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.117 -13.540 -0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.067 -11.079 -2.341 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.043 -12.698 -1.635 1.00 0.00 H new ATOM 778 N GLN A 48 6.935 -6.636 -4.893 1.00 0.00 N ATOM 779 CA GLN A 48 5.710 -5.840 -4.855 1.00 0.00 C ATOM 780 C GLN A 48 4.933 -6.098 -3.566 1.00 0.00 C ATOM 781 O GLN A 48 4.798 -7.240 -3.127 1.00 0.00 O ATOM 782 CB GLN A 48 4.815 -6.175 -6.050 1.00 0.00 C ATOM 783 CG GLN A 48 3.653 -5.183 -6.116 1.00 0.00 C ATOM 784 CD GLN A 48 2.514 -5.783 -6.932 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.733 -6.301 -8.027 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.298 -5.745 -6.459 1.00 0.00 N ATOM 0 H GLN A 48 6.825 -7.572 -5.284 1.00 0.00 H new ATOM 0 HA GLN A 48 5.998 -4.790 -4.897 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.394 -6.135 -6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.433 -7.192 -5.957 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.307 -4.945 -5.110 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.985 -4.248 -6.568 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.117 -5.316 -5.552 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.529 -6.145 -6.997 1.00 0.00 H new ATOM 795 N VAL A 49 4.426 -5.023 -2.958 1.00 0.00 N ATOM 796 CA VAL A 49 3.666 -5.160 -1.708 1.00 0.00 C ATOM 797 C VAL A 49 2.473 -4.211 -1.676 1.00 0.00 C ATOM 798 O VAL A 49 2.254 -3.429 -2.595 1.00 0.00 O ATOM 799 CB VAL A 49 4.547 -4.853 -0.491 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.453 -6.043 -0.198 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.404 -3.610 -0.762 1.00 0.00 C ATOM 0 H VAL A 49 4.523 -4.067 -3.299 1.00 0.00 H new ATOM 0 HA VAL A 49 3.317 -6.192 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 49 3.906 -4.664 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.077 -5.821 0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.843 -6.922 0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.088 -6.239 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.026 -3.400 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.041 -3.789 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.755 -2.756 -0.958 1.00 0.00 H new ATOM 811 N CYS A 50 1.720 -4.280 -0.581 1.00 0.00 N ATOM 812 CA CYS A 50 0.562 -3.412 -0.392 1.00 0.00 C ATOM 813 C CYS A 50 0.860 -2.461 0.758 1.00 0.00 C ATOM 814 O CYS A 50 1.015 -2.893 1.901 1.00 0.00 O ATOM 815 CB CYS A 50 -0.682 -4.235 -0.051 1.00 0.00 C ATOM 816 SG CYS A 50 -1.156 -5.246 -1.478 1.00 0.00 S ATOM 0 H CYS A 50 1.891 -4.928 0.188 1.00 0.00 H new ATOM 0 HA CYS A 50 0.371 -2.861 -1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.482 -4.874 0.809 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.503 -3.573 0.227 1.00 0.00 H new ATOM 821 N ILE A 51 0.968 -1.170 0.456 1.00 0.00 N ATOM 822 CA ILE A 51 1.287 -0.203 1.505 1.00 0.00 C ATOM 823 C ILE A 51 0.044 0.232 2.260 1.00 0.00 C ATOM 824 O ILE A 51 -1.069 0.216 1.736 1.00 0.00 O ATOM 825 CB ILE A 51 1.991 1.034 0.945 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.137 0.602 0.025 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.560 1.835 2.119 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.823 1.836 -0.558 1.00 0.00 C ATOM 0 H ILE A 51 0.844 -0.776 -0.477 1.00 0.00 H new ATOM 0 HA ILE A 51 1.963 -0.712 2.192 1.00 0.00 H new ATOM 0 HB ILE A 51 1.286 1.640 0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.857 0.003 0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.754 -0.027 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.067 2.723 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.749 2.135 2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.270 1.218 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.638 1.525 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.100 2.418 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.221 2.448 0.252 1.00 0.00 H new ATOM 840 N ASP A 52 0.261 0.613 3.516 1.00 0.00 N ATOM 841 CA ASP A 52 -0.829 1.045 4.377 1.00 0.00 C ATOM 842 C ASP A 52 -1.212 2.496 4.056 1.00 0.00 C ATOM 843 O ASP A 52 -0.338 3.338 3.853 1.00 0.00 O ATOM 844 CB ASP A 52 -0.404 0.950 5.849 1.00 0.00 C ATOM 845 CG ASP A 52 -1.535 0.346 6.677 1.00 0.00 C ATOM 846 OD1 ASP A 52 -2.002 -0.722 6.315 1.00 0.00 O ATOM 847 OD2 ASP A 52 -1.917 0.959 7.660 1.00 0.00 O ATOM 0 H ASP A 52 1.181 0.630 3.957 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.688 0.396 4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.492 0.336 5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.152 1.940 6.229 1.00 0.00 H new ATOM 852 N PRO A 53 -2.516 2.816 4.013 1.00 0.00 N ATOM 853 CA PRO A 53 -2.973 4.189 3.717 1.00 0.00 C ATOM 854 C PRO A 53 -2.802 5.143 4.902 1.00 0.00 C ATOM 855 O PRO A 53 -3.020 6.347 4.777 1.00 0.00 O ATOM 856 CB PRO A 53 -4.447 3.997 3.385 1.00 0.00 C ATOM 857 CG PRO A 53 -4.884 2.707 4.058 1.00 0.00 C ATOM 858 CD PRO A 53 -3.628 1.858 4.257 1.00 0.00 C ATOM 0 HA PRO A 53 -2.394 4.647 2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.037 4.840 3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.596 3.940 2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.364 2.915 5.014 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.613 2.179 3.443 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.583 1.439 5.262 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.596 1.020 3.560 1.00 0.00 H new ATOM 866 N LYS A 54 -2.409 4.597 6.055 1.00 0.00 N ATOM 867 CA LYS A 54 -2.213 5.420 7.241 1.00 0.00 C ATOM 868 C LYS A 54 -0.726 5.592 7.557 1.00 0.00 C ATOM 869 O LYS A 54 -0.361 5.946 8.678 1.00 0.00 O ATOM 870 CB LYS A 54 -2.906 4.784 8.448 1.00 0.00 C ATOM 871 CG LYS A 54 -4.351 5.279 8.529 1.00 0.00 C ATOM 872 CD LYS A 54 -4.853 5.163 9.970 1.00 0.00 C ATOM 873 CE LYS A 54 -6.346 4.833 9.966 1.00 0.00 C ATOM 874 NZ LYS A 54 -6.547 3.443 9.468 1.00 0.00 N ATOM 0 H LYS A 54 -2.224 3.603 6.188 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.647 6.399 7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.887 3.698 8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.372 5.039 9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.411 6.315 8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.985 4.692 7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.300 4.386 10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.678 6.097 10.504 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.754 4.933 10.972 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.883 5.539 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.396 3.036 9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.666 3.458 8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.719 2.864 9.712 1.00 0.00 H new ATOM 888 N LEU A 55 0.133 5.351 6.563 1.00 0.00 N ATOM 889 CA LEU A 55 1.570 5.502 6.775 1.00 0.00 C ATOM 890 C LEU A 55 1.916 6.976 6.941 1.00 0.00 C ATOM 891 O LEU A 55 1.129 7.855 6.591 1.00 0.00 O ATOM 892 CB LEU A 55 2.357 4.910 5.603 1.00 0.00 C ATOM 893 CG LEU A 55 2.848 3.506 5.969 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.529 2.865 4.756 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.846 3.589 7.130 1.00 0.00 C ATOM 0 H LEU A 55 -0.136 5.057 5.624 1.00 0.00 H new ATOM 0 HA LEU A 55 1.844 4.962 7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.727 4.866 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.205 5.551 5.361 1.00 0.00 H new ATOM 0 HG LEU A 55 1.995 2.898 6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.877 1.866 5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.817 2.796 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.378 3.476 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.191 2.587 7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.698 4.202 6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.360 4.037 7.997 1.00 0.00 H new ATOM 907 N LYS A 56 3.087 7.236 7.506 1.00 0.00 N ATOM 908 CA LYS A 56 3.512 8.605 7.744 1.00 0.00 C ATOM 909 C LYS A 56 3.904 9.302 6.453 1.00 0.00 C ATOM 910 O LYS A 56 3.614 10.484 6.265 1.00 0.00 O ATOM 911 CB LYS A 56 4.695 8.642 8.715 1.00 0.00 C ATOM 912 CG LYS A 56 4.629 9.922 9.551 1.00 0.00 C ATOM 913 CD LYS A 56 3.738 9.689 10.773 1.00 0.00 C ATOM 914 CE LYS A 56 4.474 8.804 11.780 1.00 0.00 C ATOM 915 NZ LYS A 56 3.491 7.941 12.494 1.00 0.00 N ATOM 0 H LYS A 56 3.753 6.523 7.805 1.00 0.00 H new ATOM 0 HA LYS A 56 2.664 9.132 8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.672 7.768 9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.634 8.604 8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.630 10.214 9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.234 10.741 8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.477 10.642 11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.804 9.215 10.470 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.211 8.186 11.267 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.018 9.422 12.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.991 7.339 13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.804 8.539 12.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.991 7.342 11.806 1.00 0.00 H new ATOM 929 N TRP A 57 4.571 8.578 5.566 1.00 0.00 N ATOM 930 CA TRP A 57 4.981 9.179 4.306 1.00 0.00 C ATOM 931 C TRP A 57 3.868 9.085 3.278 1.00 0.00 C ATOM 932 O TRP A 57 3.754 9.942 2.399 1.00 0.00 O ATOM 933 CB TRP A 57 6.263 8.545 3.759 1.00 0.00 C ATOM 934 CG TRP A 57 6.087 7.085 3.475 1.00 0.00 C ATOM 935 CD1 TRP A 57 6.160 6.088 4.390 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.839 6.442 2.192 1.00 0.00 C ATOM 937 NE1 TRP A 57 6.003 4.876 3.740 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.797 5.043 2.389 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.655 6.933 0.889 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.587 4.163 1.331 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.434 6.049 -0.181 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.403 4.665 0.040 1.00 0.00 C ATOM 0 H TRP A 57 4.834 7.600 5.689 1.00 0.00 H new ATOM 0 HA TRP A 57 5.191 10.230 4.505 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.561 9.059 2.845 1.00 0.00 H new ATOM 0 HB3 TRP A 57 7.070 8.680 4.479 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.315 6.218 5.451 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.036 3.969 4.206 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.684 7.997 0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.566 3.098 1.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.287 6.438 -1.178 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.237 3.989 -0.785 1.00 0.00 H new ATOM 953 N ILE A 58 3.036 8.054 3.393 1.00 0.00 N ATOM 954 CA ILE A 58 1.941 7.912 2.456 1.00 0.00 C ATOM 955 C ILE A 58 0.781 8.830 2.848 1.00 0.00 C ATOM 956 O ILE A 58 -0.073 9.124 2.017 1.00 0.00 O ATOM 957 CB ILE A 58 1.484 6.446 2.336 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.633 5.661 1.643 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.163 6.357 1.529 1.00 0.00 C ATOM 960 CD1 ILE A 58 2.111 4.524 0.750 1.00 0.00 C ATOM 0 H ILE A 58 3.099 7.327 4.106 1.00 0.00 H new ATOM 0 HA ILE A 58 2.297 8.215 1.471 1.00 0.00 H new ATOM 0 HB ILE A 58 1.281 6.016 3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.227 6.348 1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.296 5.247 2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.147 5.315 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.613 6.930 2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.319 6.763 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.953 4.007 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.540 3.820 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.470 4.938 -0.028 1.00 0.00 H new ATOM 972 N GLN A 59 0.751 9.296 4.102 1.00 0.00 N ATOM 973 CA GLN A 59 -0.325 10.188 4.499 1.00 0.00 C ATOM 974 C GLN A 59 -0.171 11.526 3.780 1.00 0.00 C ATOM 975 O GLN A 59 -1.157 12.201 3.487 1.00 0.00 O ATOM 976 CB GLN A 59 -0.364 10.403 6.018 1.00 0.00 C ATOM 977 CG GLN A 59 0.956 11.009 6.509 1.00 0.00 C ATOM 978 CD GLN A 59 0.672 12.175 7.452 1.00 0.00 C ATOM 979 OE1 GLN A 59 1.201 13.272 7.269 1.00 0.00 O ATOM 980 NE2 GLN A 59 -0.140 12.002 8.459 1.00 0.00 N ATOM 0 H GLN A 59 1.433 9.077 4.828 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.269 9.722 4.215 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.192 11.063 6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.544 9.453 6.521 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.546 10.250 7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.547 11.352 5.660 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.578 11.093 8.611 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.336 12.775 9.094 1.00 0.00 H new ATOM 989 N GLU A 60 1.076 11.890 3.467 1.00 0.00 N ATOM 990 CA GLU A 60 1.332 13.133 2.750 1.00 0.00 C ATOM 991 C GLU A 60 1.105 12.909 1.258 1.00 0.00 C ATOM 992 O GLU A 60 0.614 13.785 0.546 1.00 0.00 O ATOM 993 CB GLU A 60 2.773 13.599 2.978 1.00 0.00 C ATOM 994 CG GLU A 60 2.813 15.127 3.062 1.00 0.00 C ATOM 995 CD GLU A 60 4.188 15.575 3.545 1.00 0.00 C ATOM 996 OE1 GLU A 60 5.157 15.296 2.856 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.254 16.190 4.597 1.00 0.00 O ATOM 0 H GLU A 60 1.909 11.348 3.696 1.00 0.00 H new ATOM 0 HA GLU A 60 0.652 13.900 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.165 13.164 3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.411 13.253 2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.600 15.561 2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.042 15.484 3.745 1.00 0.00 H new ATOM 1004 N TYR A 61 1.463 11.711 0.803 1.00 0.00 N ATOM 1005 CA TYR A 61 1.294 11.344 -0.600 1.00 0.00 C ATOM 1006 C TYR A 61 -0.195 11.243 -0.930 1.00 0.00 C ATOM 1007 O TYR A 61 -0.669 11.802 -1.918 1.00 0.00 O ATOM 1008 CB TYR A 61 2.009 9.993 -0.867 1.00 0.00 C ATOM 1009 CG TYR A 61 1.433 9.269 -2.071 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.209 9.954 -3.269 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.113 7.913 -1.968 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.668 9.277 -4.370 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.571 7.236 -3.063 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.348 7.916 -4.266 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.187 7.249 -5.349 1.00 0.00 O ATOM 0 H TYR A 61 1.871 10.979 1.384 1.00 0.00 H new ATOM 0 HA TYR A 61 1.737 12.108 -1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.072 10.172 -1.027 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.921 9.357 0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.453 11.003 -3.346 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.285 7.387 -1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.498 9.803 -5.298 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.324 6.188 -2.981 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.350 6.313 -5.109 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.916 10.511 -0.099 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.341 10.329 -0.313 1.00 0.00 C ATOM 1027 C LEU A 62 -3.085 11.648 -0.120 1.00 0.00 C ATOM 1028 O LEU A 62 -4.156 11.862 -0.688 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.878 9.287 0.666 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.861 8.356 -0.049 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.765 6.952 0.552 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.285 8.888 0.128 1.00 0.00 C ATOM 0 H LEU A 62 -0.543 10.037 0.723 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.500 9.986 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.054 8.708 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.374 9.782 1.501 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.615 8.314 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.465 6.290 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.751 6.572 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.011 6.993 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.986 8.226 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.529 8.929 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.355 9.888 -0.299 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.501 12.533 0.686 1.00 0.00 N ATOM 1045 CA GLU A 63 -3.120 13.832 0.943 1.00 0.00 C ATOM 1046 C GLU A 63 -2.856 14.787 -0.220 1.00 0.00 C ATOM 1047 O GLU A 63 -3.750 15.512 -0.658 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.569 14.446 2.236 1.00 0.00 C ATOM 1049 CG GLU A 63 -3.329 15.738 2.567 1.00 0.00 C ATOM 1050 CD GLU A 63 -2.483 16.949 2.181 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -1.754 16.854 1.208 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -2.577 17.954 2.867 1.00 0.00 O ATOM 0 H GLU A 63 -1.614 12.379 1.166 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.194 13.678 1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.667 13.736 3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.506 14.658 2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.278 15.760 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.563 15.771 3.631 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.621 14.782 -0.713 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.256 15.658 -1.825 1.00 0.00 C ATOM 1061 C LYS A 64 -1.717 15.063 -3.157 1.00 0.00 C ATOM 1062 O LYS A 64 -1.985 15.789 -4.114 1.00 0.00 O ATOM 1063 CB LYS A 64 0.261 15.891 -1.864 1.00 0.00 C ATOM 1064 CG LYS A 64 1.000 14.562 -2.061 1.00 0.00 C ATOM 1065 CD LYS A 64 1.298 14.357 -3.548 1.00 0.00 C ATOM 1066 CE LYS A 64 2.705 14.869 -3.863 1.00 0.00 C ATOM 1067 NZ LYS A 64 2.925 14.844 -5.337 1.00 0.00 N ATOM 0 H LYS A 64 -0.865 14.191 -0.367 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.756 16.614 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.510 16.576 -2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.587 16.362 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.929 14.562 -1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.394 13.738 -1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.219 13.300 -3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.563 14.887 -4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.828 15.883 -3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.449 14.249 -3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.881 15.192 -5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.825 13.870 -5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.223 15.453 -5.803 1.00 0.00 H new ATOM 1081 N ALA A 65 -1.804 13.735 -3.209 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.235 13.060 -4.430 1.00 0.00 C ATOM 1083 C ALA A 65 -3.751 13.137 -4.573 1.00 0.00 C ATOM 1084 O ALA A 65 -4.278 13.313 -5.672 1.00 0.00 O ATOM 1085 CB ALA A 65 -1.811 11.590 -4.408 1.00 0.00 C ATOM 0 H ALA A 65 -1.585 13.113 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.763 13.561 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.140 11.103 -5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.726 11.526 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.265 11.093 -3.550 1.00 0.00 H new