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 -80:sc= -0.467 USER MOD Set 1.2: A 37 GLN : amide:sc= -4.27! C(o=-4.7!,f=-7.4!) USER MOD Single : A 16 SER OG : rot 180:sc=0.000754 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.00072) USER MOD Single : A 22 ASN : amide:sc= -1.12 K(o=-1.1,f=-10!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.682 X(o=-0.68,f=-0.89) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.08! C(o=-2.1!,f=-3.6!) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= -0.172 (180deg=-1.05) USER MOD Single : A 44 ASN : amide:sc= -0.0117 X(o=-0.012,f=0.044) USER MOD Single : A 45 ASN : amide:sc= -0.657 K(o=-0.66,f=0) USER MOD Single : A 46 ASN : amide:sc= -5.02! C(o=-5!,f=-5.5!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.23) 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 -6.460 -7.658 -5.693 1.00 0.00 N ATOM 152 CA PRO A 10 -4.998 -7.837 -5.794 1.00 0.00 C ATOM 153 C PRO A 10 -4.302 -7.823 -4.438 1.00 0.00 C ATOM 154 O PRO A 10 -3.482 -8.690 -4.135 1.00 0.00 O ATOM 155 CB PRO A 10 -4.572 -6.640 -6.632 1.00 0.00 C ATOM 156 CG PRO A 10 -5.640 -5.570 -6.460 1.00 0.00 C ATOM 157 CD PRO A 10 -6.900 -6.261 -5.929 1.00 0.00 C ATOM 0 HA PRO A 10 -4.731 -8.803 -6.223 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.600 -6.269 -6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.473 -6.920 -7.681 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.303 -4.800 -5.766 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.845 -5.076 -7.410 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.257 -5.793 -5.012 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.717 -6.214 -6.650 1.00 0.00 H new ATOM 165 N CYS A 11 -4.632 -6.825 -3.628 1.00 0.00 N ATOM 166 CA CYS A 11 -4.027 -6.701 -2.306 1.00 0.00 C ATOM 167 C CYS A 11 -4.668 -7.676 -1.325 1.00 0.00 C ATOM 168 O CYS A 11 -5.844 -8.023 -1.441 1.00 0.00 O ATOM 169 CB CYS A 11 -4.183 -5.278 -1.770 1.00 0.00 C ATOM 170 SG CYS A 11 -2.870 -4.231 -2.449 1.00 0.00 S ATOM 0 H CYS A 11 -5.308 -6.096 -3.859 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.967 -6.934 -2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.160 -4.879 -2.045 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.135 -5.281 -0.681 1.00 0.00 H new ATOM 175 N ARG A 12 -3.871 -8.105 -0.354 1.00 0.00 N ATOM 176 CA ARG A 12 -4.342 -9.040 0.667 1.00 0.00 C ATOM 177 C ARG A 12 -3.721 -8.694 2.015 1.00 0.00 C ATOM 178 O ARG A 12 -4.409 -8.615 3.033 1.00 0.00 O ATOM 179 CB ARG A 12 -3.982 -10.487 0.300 1.00 0.00 C ATOM 180 CG ARG A 12 -2.520 -10.571 -0.151 1.00 0.00 C ATOM 181 CD ARG A 12 -2.267 -11.925 -0.815 1.00 0.00 C ATOM 182 NE ARG A 12 -0.878 -12.337 -0.632 1.00 0.00 N ATOM 183 CZ ARG A 12 -0.577 -13.527 -0.120 1.00 0.00 C ATOM 184 NH1 ARG A 12 -0.921 -14.616 -0.752 1.00 0.00 N ATOM 185 NH2 ARG A 12 0.061 -13.606 1.015 1.00 0.00 N ATOM 0 H ARG A 12 -2.896 -7.822 -0.250 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.427 -8.955 0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.143 -11.138 1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.637 -10.841 -0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.297 -9.764 -0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.857 -10.444 0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.933 -12.675 -0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.496 -11.863 -1.879 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.127 -11.702 -0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.421 -14.555 -1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.690 -15.528 -0.359 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.329 -12.755 1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.292 -14.519 1.408 1.00 0.00 H new ATOM 199 N PHE A 13 -2.411 -8.470 2.004 1.00 0.00 N ATOM 200 CA PHE A 13 -1.692 -8.110 3.221 1.00 0.00 C ATOM 201 C PHE A 13 -0.989 -6.774 3.017 1.00 0.00 C ATOM 202 O PHE A 13 -0.560 -6.450 1.911 1.00 0.00 O ATOM 203 CB PHE A 13 -0.654 -9.176 3.574 1.00 0.00 C ATOM 204 CG PHE A 13 -1.355 -10.409 4.092 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.837 -10.440 5.406 1.00 0.00 C ATOM 206 CD2 PHE A 13 -1.526 -11.522 3.259 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.488 -11.582 5.886 1.00 0.00 C ATOM 208 CE2 PHE A 13 -2.176 -12.664 3.739 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.658 -12.694 5.053 1.00 0.00 C ATOM 0 H PHE A 13 -1.828 -8.531 1.170 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.409 -8.036 4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.059 -9.425 2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.035 -8.793 4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.706 -9.582 6.049 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.156 -11.499 2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.859 -11.605 6.900 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.306 -13.522 3.096 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.161 -13.575 5.424 1.00 0.00 H new ATOM 219 N PHE A 14 -0.889 -5.992 4.086 1.00 0.00 N ATOM 220 CA PHE A 14 -0.249 -4.683 3.991 1.00 0.00 C ATOM 221 C PHE A 14 0.993 -4.605 4.867 1.00 0.00 C ATOM 222 O PHE A 14 0.977 -4.989 6.036 1.00 0.00 O ATOM 223 CB PHE A 14 -1.217 -3.581 4.416 1.00 0.00 C ATOM 224 CG PHE A 14 -2.178 -3.313 3.289 1.00 0.00 C ATOM 225 CD1 PHE A 14 -3.030 -4.325 2.835 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.208 -2.052 2.695 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.914 -4.072 1.782 1.00 0.00 C ATOM 228 CE2 PHE A 14 -3.091 -1.795 1.643 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.946 -2.805 1.184 1.00 0.00 C ATOM 0 H PHE A 14 -1.236 -6.235 5.014 1.00 0.00 H new ATOM 0 HA PHE A 14 0.041 -4.543 2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.761 -3.882 5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.668 -2.673 4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.005 -5.301 3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.548 -1.273 3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.572 -4.853 1.430 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.114 -0.818 1.184 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.629 -2.608 0.371 1.00 0.00 H new ATOM 239 N GLU A 15 2.067 -4.086 4.283 1.00 0.00 N ATOM 240 CA GLU A 15 3.320 -3.938 5.014 1.00 0.00 C ATOM 241 C GLU A 15 3.498 -2.485 5.452 1.00 0.00 C ATOM 242 O GLU A 15 4.272 -1.732 4.862 1.00 0.00 O ATOM 243 CB GLU A 15 4.506 -4.353 4.138 1.00 0.00 C ATOM 244 CG GLU A 15 5.733 -4.592 5.020 1.00 0.00 C ATOM 245 CD GLU A 15 6.924 -4.964 4.145 1.00 0.00 C ATOM 246 OE1 GLU A 15 7.078 -6.140 3.856 1.00 0.00 O ATOM 247 OE2 GLU A 15 7.666 -4.069 3.777 1.00 0.00 O ATOM 0 H GLU A 15 2.096 -3.764 3.316 1.00 0.00 H new ATOM 0 HA GLU A 15 3.285 -4.583 5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.262 -5.259 3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.719 -3.576 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.959 -3.696 5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.530 -5.389 5.735 1.00 0.00 H new ATOM 254 N SER A 16 2.763 -2.096 6.493 1.00 0.00 N ATOM 255 CA SER A 16 2.841 -0.725 7.003 1.00 0.00 C ATOM 256 C SER A 16 4.279 -0.364 7.381 1.00 0.00 C ATOM 257 O SER A 16 4.662 0.804 7.364 1.00 0.00 O ATOM 258 CB SER A 16 1.944 -0.554 8.229 1.00 0.00 C ATOM 259 OG SER A 16 2.165 -1.634 9.127 1.00 0.00 O ATOM 0 H SER A 16 2.114 -2.701 6.996 1.00 0.00 H new ATOM 0 HA SER A 16 2.502 -0.059 6.210 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.159 0.394 8.722 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.897 -0.526 7.927 1.00 0.00 H new ATOM 0 HG SER A 16 1.593 -1.526 9.915 1.00 0.00 H new ATOM 265 N HIS A 17 5.073 -1.381 7.714 1.00 0.00 N ATOM 266 CA HIS A 17 6.469 -1.155 8.084 1.00 0.00 C ATOM 267 C HIS A 17 7.233 -0.466 6.949 1.00 0.00 C ATOM 268 O HIS A 17 8.277 0.146 7.174 1.00 0.00 O ATOM 269 CB HIS A 17 7.156 -2.482 8.410 1.00 0.00 C ATOM 270 CG HIS A 17 6.886 -2.847 9.844 1.00 0.00 C ATOM 271 ND1 HIS A 17 5.978 -3.834 10.197 1.00 0.00 N ATOM 272 CD2 HIS A 17 7.396 -2.367 11.025 1.00 0.00 C ATOM 273 CE1 HIS A 17 5.969 -3.915 11.541 1.00 0.00 C ATOM 274 NE2 HIS A 17 6.816 -3.043 12.094 1.00 0.00 N ATOM 0 H HIS A 17 4.778 -2.357 7.735 1.00 0.00 H new ATOM 0 HA HIS A 17 6.477 -0.511 8.963 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.788 -3.266 7.748 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.230 -2.399 8.240 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.135 -1.584 11.111 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.352 -4.601 12.103 1.00 0.00 H new ATOM 0 HE2 HIS A 17 6.999 -2.903 13.088 1.00 0.00 H new ATOM 282 N VAL A 18 6.702 -0.569 5.725 1.00 0.00 N ATOM 283 CA VAL A 18 7.341 0.048 4.565 1.00 0.00 C ATOM 284 C VAL A 18 7.528 1.548 4.789 1.00 0.00 C ATOM 285 O VAL A 18 6.831 2.173 5.588 1.00 0.00 O ATOM 286 CB VAL A 18 6.486 -0.178 3.307 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.153 0.459 2.082 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.331 -1.680 3.064 1.00 0.00 C ATOM 0 H VAL A 18 5.838 -1.070 5.517 1.00 0.00 H new ATOM 0 HA VAL A 18 8.318 -0.415 4.428 1.00 0.00 H new ATOM 0 HB VAL A 18 5.510 0.282 3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.534 0.289 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.266 1.531 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.134 0.011 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.725 -1.844 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.314 -2.129 2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.843 -2.139 3.924 1.00 0.00 H new ATOM 298 N ALA A 19 8.479 2.104 4.055 1.00 0.00 N ATOM 299 CA ALA A 19 8.777 3.526 4.141 1.00 0.00 C ATOM 300 C ALA A 19 9.240 4.032 2.782 1.00 0.00 C ATOM 301 O ALA A 19 9.994 3.359 2.080 1.00 0.00 O ATOM 302 CB ALA A 19 9.868 3.789 5.178 1.00 0.00 C ATOM 0 H ALA A 19 9.059 1.591 3.391 1.00 0.00 H new ATOM 0 HA ALA A 19 7.872 4.052 4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.075 4.858 5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.533 3.440 6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.776 3.256 4.894 1.00 0.00 H new ATOM 308 N ARG A 20 8.768 5.223 2.415 1.00 0.00 N ATOM 309 CA ARG A 20 9.112 5.839 1.123 1.00 0.00 C ATOM 310 C ARG A 20 10.596 5.674 0.771 1.00 0.00 C ATOM 311 O ARG A 20 10.964 5.613 -0.402 1.00 0.00 O ATOM 312 CB ARG A 20 8.778 7.327 1.146 1.00 0.00 C ATOM 313 CG ARG A 20 8.452 7.801 -0.272 1.00 0.00 C ATOM 314 CD ARG A 20 8.264 9.319 -0.271 1.00 0.00 C ATOM 315 NE ARG A 20 8.618 9.882 -1.571 1.00 0.00 N ATOM 316 CZ ARG A 20 9.631 10.736 -1.696 1.00 0.00 C ATOM 317 NH1 ARG A 20 9.453 12.001 -1.427 1.00 0.00 N ATOM 318 NH2 ARG A 20 10.800 10.309 -2.084 1.00 0.00 N ATOM 0 H ARG A 20 8.144 5.786 2.993 1.00 0.00 H new ATOM 0 HA ARG A 20 8.523 5.324 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.930 7.510 1.806 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.620 7.893 1.545 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.256 7.524 -0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.547 7.312 -0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.228 9.562 -0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.883 9.767 0.506 1.00 0.00 H new ATOM 0 HE ARG A 20 8.080 9.617 -2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.538 12.334 -1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.228 12.657 -1.522 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.938 9.320 -2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.576 10.964 -2.180 1.00 0.00 H new ATOM 332 N ALA A 21 11.439 5.603 1.797 1.00 0.00 N ATOM 333 CA ALA A 21 12.876 5.447 1.578 1.00 0.00 C ATOM 334 C ALA A 21 13.173 4.156 0.821 1.00 0.00 C ATOM 335 O ALA A 21 13.714 4.178 -0.285 1.00 0.00 O ATOM 336 CB ALA A 21 13.621 5.425 2.913 1.00 0.00 C ATOM 0 H ALA A 21 11.159 5.650 2.777 1.00 0.00 H new ATOM 0 HA ALA A 21 13.215 6.296 0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.689 5.308 2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.443 6.360 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.262 4.591 3.516 1.00 0.00 H new ATOM 342 N ASN A 22 12.821 3.033 1.433 1.00 0.00 N ATOM 343 CA ASN A 22 13.058 1.732 0.816 1.00 0.00 C ATOM 344 C ASN A 22 12.054 1.442 -0.304 1.00 0.00 C ATOM 345 O ASN A 22 12.211 0.472 -1.043 1.00 0.00 O ATOM 346 CB ASN A 22 12.967 0.626 1.868 1.00 0.00 C ATOM 347 CG ASN A 22 11.626 0.707 2.586 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.353 1.672 3.301 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.763 -0.262 2.441 1.00 0.00 N ATOM 0 H ASN A 22 12.374 2.995 2.349 1.00 0.00 H new ATOM 0 HA ASN A 22 14.058 1.756 0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.078 -0.349 1.394 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.781 0.726 2.586 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.863 -0.220 2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.988 -1.061 1.849 1.00 0.00 H new ATOM 356 N VAL A 23 11.030 2.289 -0.442 1.00 0.00 N ATOM 357 CA VAL A 23 10.043 2.083 -1.501 1.00 0.00 C ATOM 358 C VAL A 23 10.653 2.486 -2.840 1.00 0.00 C ATOM 359 O VAL A 23 11.310 3.521 -2.953 1.00 0.00 O ATOM 360 CB VAL A 23 8.777 2.908 -1.237 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.719 2.594 -2.301 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.217 2.564 0.151 1.00 0.00 C ATOM 0 H VAL A 23 10.866 3.103 0.150 1.00 0.00 H new ATOM 0 HA VAL A 23 9.764 1.029 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 23 9.029 3.968 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.823 3.183 -2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.110 2.842 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.471 1.533 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.318 3.151 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.972 1.503 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.963 2.794 0.912 1.00 0.00 H new ATOM 372 N LYS A 24 10.446 1.646 -3.848 1.00 0.00 N ATOM 373 CA LYS A 24 10.998 1.913 -5.174 1.00 0.00 C ATOM 374 C LYS A 24 10.027 2.730 -6.017 1.00 0.00 C ATOM 375 O LYS A 24 10.381 3.783 -6.549 1.00 0.00 O ATOM 376 CB LYS A 24 11.302 0.601 -5.899 1.00 0.00 C ATOM 377 CG LYS A 24 12.178 0.883 -7.121 1.00 0.00 C ATOM 378 CD LYS A 24 12.645 -0.439 -7.732 1.00 0.00 C ATOM 379 CE LYS A 24 13.977 -0.850 -7.101 1.00 0.00 C ATOM 380 NZ LYS A 24 14.746 -1.686 -8.066 1.00 0.00 N ATOM 0 H LYS A 24 9.906 0.783 -3.776 1.00 0.00 H new ATOM 0 HA LYS A 24 11.918 2.481 -5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.810 -0.089 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.374 0.120 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.618 1.458 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.039 1.487 -6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.897 -1.214 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.759 -0.333 -8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.553 0.035 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.799 -1.407 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.652 -1.966 -7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.197 -2.537 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.927 -1.139 -8.932 1.00 0.00 H new ATOM 394 N HIS A 25 8.800 2.236 -6.138 1.00 0.00 N ATOM 395 CA HIS A 25 7.791 2.934 -6.929 1.00 0.00 C ATOM 396 C HIS A 25 6.401 2.696 -6.354 1.00 0.00 C ATOM 397 O HIS A 25 6.183 1.757 -5.588 1.00 0.00 O ATOM 398 CB HIS A 25 7.819 2.450 -8.380 1.00 0.00 C ATOM 399 CG HIS A 25 7.053 3.412 -9.246 1.00 0.00 C ATOM 400 ND1 HIS A 25 7.344 4.766 -9.283 1.00 0.00 N ATOM 401 CD2 HIS A 25 6.002 3.231 -10.112 1.00 0.00 C ATOM 402 CE1 HIS A 25 6.486 5.342 -10.144 1.00 0.00 C ATOM 403 NE2 HIS A 25 5.646 4.452 -10.678 1.00 0.00 N ATOM 0 H HIS A 25 8.482 1.368 -5.706 1.00 0.00 H new ATOM 0 HA HIS A 25 8.019 3.999 -6.896 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.849 2.372 -8.728 1.00 0.00 H new ATOM 0 HB3 HIS A 25 7.382 1.454 -8.451 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.525 2.285 -10.322 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.478 6.397 -10.375 1.00 0.00 H new ATOM 0 HE2 HIS A 25 4.904 4.629 -11.355 1.00 0.00 H new ATOM 411 N LEU A 26 5.461 3.558 -6.732 1.00 0.00 N ATOM 412 CA LEU A 26 4.091 3.429 -6.244 1.00 0.00 C ATOM 413 C LEU A 26 3.141 3.085 -7.382 1.00 0.00 C ATOM 414 O LEU A 26 3.319 3.512 -8.522 1.00 0.00 O ATOM 415 CB LEU A 26 3.612 4.731 -5.599 1.00 0.00 C ATOM 416 CG LEU A 26 3.955 4.756 -4.106 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.479 6.079 -3.502 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.252 3.601 -3.390 1.00 0.00 C ATOM 0 H LEU A 26 5.619 4.342 -7.365 1.00 0.00 H new ATOM 0 HA LEU A 26 4.090 2.629 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.076 5.582 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.535 4.833 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 26 5.033 4.655 -3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.721 6.102 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.976 6.908 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.401 6.171 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.501 3.625 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.173 3.700 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.580 2.654 -3.818 1.00 0.00 H new ATOM 430 N LYS A 27 2.118 2.317 -7.040 1.00 0.00 N ATOM 431 CA LYS A 27 1.107 1.915 -8.015 1.00 0.00 C ATOM 432 C LYS A 27 -0.211 1.622 -7.306 1.00 0.00 C ATOM 433 O LYS A 27 -0.235 1.370 -6.105 1.00 0.00 O ATOM 434 CB LYS A 27 1.559 0.666 -8.775 1.00 0.00 C ATOM 435 CG LYS A 27 2.397 1.079 -9.986 1.00 0.00 C ATOM 436 CD LYS A 27 2.227 0.045 -11.101 1.00 0.00 C ATOM 437 CE LYS A 27 2.718 0.636 -12.424 1.00 0.00 C ATOM 438 NZ LYS A 27 4.188 0.424 -12.549 1.00 0.00 N ATOM 0 H LYS A 27 1.963 1.959 -6.098 1.00 0.00 H new ATOM 0 HA LYS A 27 0.970 2.732 -8.723 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.143 0.020 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.692 0.091 -9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.087 2.063 -10.338 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.447 1.157 -9.705 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.789 -0.858 -10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.180 -0.245 -11.186 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.200 0.165 -13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.489 1.701 -12.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.521 0.826 -13.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.675 0.893 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.395 -0.595 -12.527 1.00 0.00 H new ATOM 452 N ILE A 28 -1.310 1.663 -8.056 1.00 0.00 N ATOM 453 CA ILE A 28 -2.622 1.400 -7.477 1.00 0.00 C ATOM 454 C ILE A 28 -3.431 0.479 -8.387 1.00 0.00 C ATOM 455 O ILE A 28 -3.254 0.473 -9.604 1.00 0.00 O ATOM 456 CB ILE A 28 -3.391 2.708 -7.278 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.535 3.683 -6.464 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.694 2.428 -6.531 1.00 0.00 C ATOM 459 CD1 ILE A 28 -1.745 4.585 -7.414 1.00 0.00 C ATOM 0 H ILE A 28 -1.318 1.873 -9.054 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.474 0.917 -6.511 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.619 3.146 -8.250 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.170 4.287 -5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.852 3.132 -5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.240 3.361 -6.390 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.304 1.734 -7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.469 1.989 -5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.136 5.279 -6.835 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.099 3.973 -8.043 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.437 5.147 -8.042 1.00 0.00 H new ATOM 471 N LEU A 29 -4.326 -0.295 -7.778 1.00 0.00 N ATOM 472 CA LEU A 29 -5.166 -1.216 -8.537 1.00 0.00 C ATOM 473 C LEU A 29 -6.639 -0.899 -8.302 1.00 0.00 C ATOM 474 O LEU A 29 -7.130 -0.960 -7.175 1.00 0.00 O ATOM 475 CB LEU A 29 -4.894 -2.667 -8.118 1.00 0.00 C ATOM 476 CG LEU A 29 -3.669 -3.225 -8.862 1.00 0.00 C ATOM 477 CD1 LEU A 29 -3.930 -3.225 -10.370 1.00 0.00 C ATOM 478 CD2 LEU A 29 -2.434 -2.368 -8.557 1.00 0.00 C ATOM 0 H LEU A 29 -4.487 -0.303 -6.771 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.928 -1.097 -9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.726 -2.715 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.768 -3.283 -8.332 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.490 -4.246 -8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.058 -3.621 -10.890 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.797 -3.848 -10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.121 -2.206 -10.706 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.572 -2.771 -9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.613 -1.343 -8.881 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.238 -2.381 -7.485 1.00 0.00 H new ATOM 490 N ASN A 30 -7.338 -0.555 -9.380 1.00 0.00 N ATOM 491 CA ASN A 30 -8.758 -0.225 -9.283 1.00 0.00 C ATOM 492 C ASN A 30 -9.610 -1.483 -9.417 1.00 0.00 C ATOM 493 O ASN A 30 -10.031 -1.853 -10.513 1.00 0.00 O ATOM 494 CB ASN A 30 -9.154 0.765 -10.381 1.00 0.00 C ATOM 495 CG ASN A 30 -10.318 1.623 -9.898 1.00 0.00 C ATOM 496 OD1 ASN A 30 -10.112 2.672 -9.288 1.00 0.00 O ATOM 497 ND2 ASN A 30 -11.541 1.237 -10.138 1.00 0.00 N ATOM 0 H ASN A 30 -6.950 -0.497 -10.322 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.931 0.227 -8.307 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.305 1.398 -10.638 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.436 0.227 -11.286 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.327 1.805 -9.820 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.711 0.368 -10.644 1.00 0.00 H new ATOM 504 N THR A 31 -9.860 -2.135 -8.285 1.00 0.00 N ATOM 505 CA THR A 31 -10.667 -3.352 -8.277 1.00 0.00 C ATOM 506 C THR A 31 -12.100 -3.029 -7.841 1.00 0.00 C ATOM 507 O THR A 31 -12.311 -2.147 -7.009 1.00 0.00 O ATOM 508 CB THR A 31 -10.066 -4.379 -7.311 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.672 -4.139 -7.171 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.288 -5.792 -7.853 1.00 0.00 C ATOM 0 H THR A 31 -9.519 -1.845 -7.369 1.00 0.00 H new ATOM 0 HA THR A 31 -10.678 -3.767 -9.285 1.00 0.00 H new ATOM 0 HB THR A 31 -10.552 -4.286 -6.340 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.196 -4.521 -7.938 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.859 -6.518 -7.163 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.357 -5.978 -7.957 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.807 -5.888 -8.826 1.00 0.00 H new ATOM 518 N PRO A 32 -13.108 -3.730 -8.390 1.00 0.00 N ATOM 519 CA PRO A 32 -14.519 -3.487 -8.031 1.00 0.00 C ATOM 520 C PRO A 32 -14.918 -4.196 -6.740 1.00 0.00 C ATOM 521 O PRO A 32 -15.583 -3.621 -5.878 1.00 0.00 O ATOM 522 CB PRO A 32 -15.274 -4.057 -9.224 1.00 0.00 C ATOM 523 CG PRO A 32 -14.363 -5.085 -9.879 1.00 0.00 C ATOM 524 CD PRO A 32 -12.936 -4.808 -9.398 1.00 0.00 C ATOM 0 HA PRO A 32 -14.727 -2.434 -7.841 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.208 -4.518 -8.904 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.533 -3.267 -9.929 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.669 -6.096 -9.609 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.422 -5.013 -10.965 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.481 -5.697 -8.960 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.291 -4.491 -10.218 1.00 0.00 H new ATOM 532 N ASN A 33 -14.497 -5.449 -6.618 1.00 0.00 N ATOM 533 CA ASN A 33 -14.803 -6.236 -5.430 1.00 0.00 C ATOM 534 C ASN A 33 -14.236 -5.565 -4.179 1.00 0.00 C ATOM 535 O ASN A 33 -14.762 -5.727 -3.078 1.00 0.00 O ATOM 536 CB ASN A 33 -14.209 -7.642 -5.552 1.00 0.00 C ATOM 537 CG ASN A 33 -15.136 -8.516 -6.390 1.00 0.00 C ATOM 538 OD1 ASN A 33 -15.913 -8.012 -7.201 1.00 0.00 O ATOM 539 ND2 ASN A 33 -15.100 -9.812 -6.241 1.00 0.00 N ATOM 0 H ASN A 33 -13.946 -5.940 -7.322 1.00 0.00 H new ATOM 0 HA ASN A 33 -15.888 -6.304 -5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.223 -7.593 -6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.076 -8.079 -4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.715 -10.406 -6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.456 -10.230 -5.569 1.00 0.00 H new ATOM 546 N CYS A 34 -13.154 -4.808 -4.363 1.00 0.00 N ATOM 547 CA CYS A 34 -12.520 -4.114 -3.245 1.00 0.00 C ATOM 548 C CYS A 34 -12.433 -2.618 -3.532 1.00 0.00 C ATOM 549 O CYS A 34 -12.867 -2.145 -4.582 1.00 0.00 O ATOM 550 CB CYS A 34 -11.105 -4.650 -3.016 1.00 0.00 C ATOM 551 SG CYS A 34 -11.188 -6.299 -2.278 1.00 0.00 S ATOM 0 H CYS A 34 -12.703 -4.661 -5.266 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.126 -4.286 -2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.564 -4.691 -3.961 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.552 -3.976 -2.362 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.984 -6.750 -2.088 1.00 0.00 H new ATOM 556 N ALA A 35 -11.853 -1.884 -2.588 1.00 0.00 N ATOM 557 CA ALA A 35 -11.696 -0.443 -2.744 1.00 0.00 C ATOM 558 C ALA A 35 -10.363 -0.143 -3.435 1.00 0.00 C ATOM 559 O ALA A 35 -9.771 -1.023 -4.061 1.00 0.00 O ATOM 560 CB ALA A 35 -11.737 0.245 -1.375 1.00 0.00 C ATOM 0 H ALA A 35 -11.487 -2.260 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.514 -0.061 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.619 1.321 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.693 0.041 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.928 -0.136 -0.752 1.00 0.00 H new ATOM 566 N LEU A 36 -9.891 1.098 -3.318 1.00 0.00 N ATOM 567 CA LEU A 36 -8.624 1.472 -3.940 1.00 0.00 C ATOM 568 C LEU A 36 -7.463 0.976 -3.085 1.00 0.00 C ATOM 569 O LEU A 36 -7.087 1.604 -2.096 1.00 0.00 O ATOM 570 CB LEU A 36 -8.523 2.997 -4.081 1.00 0.00 C ATOM 571 CG LEU A 36 -9.335 3.483 -5.292 1.00 0.00 C ATOM 572 CD1 LEU A 36 -8.787 2.855 -6.576 1.00 0.00 C ATOM 573 CD2 LEU A 36 -10.809 3.096 -5.123 1.00 0.00 C ATOM 0 H LEU A 36 -10.358 1.848 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.579 1.016 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.890 3.477 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.479 3.289 -4.195 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.252 4.568 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.368 3.205 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.744 3.143 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.858 1.769 -6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.378 3.444 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.894 2.012 -5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.205 3.556 -4.218 1.00 0.00 H new ATOM 585 N GLN A 37 -6.899 -0.160 -3.485 1.00 0.00 N ATOM 586 CA GLN A 37 -5.776 -0.740 -2.757 1.00 0.00 C ATOM 587 C GLN A 37 -4.465 -0.259 -3.362 1.00 0.00 C ATOM 588 O GLN A 37 -4.080 -0.684 -4.453 1.00 0.00 O ATOM 589 CB GLN A 37 -5.822 -2.271 -2.823 1.00 0.00 C ATOM 590 CG GLN A 37 -7.176 -2.774 -2.315 1.00 0.00 C ATOM 591 CD GLN A 37 -7.622 -3.977 -3.142 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.223 -5.108 -2.870 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.435 -3.795 -4.145 1.00 0.00 N ATOM 0 H GLN A 37 -7.198 -0.693 -4.302 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.844 -0.424 -1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.662 -2.604 -3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.018 -2.694 -2.221 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.100 -3.051 -1.264 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.919 -1.979 -2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.765 -2.857 -4.370 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.741 -4.591 -4.705 1.00 0.00 H new ATOM 602 N ILE A 38 -3.783 0.635 -2.653 1.00 0.00 N ATOM 603 CA ILE A 38 -2.518 1.160 -3.152 1.00 0.00 C ATOM 604 C ILE A 38 -1.430 0.099 -3.064 1.00 0.00 C ATOM 605 O ILE A 38 -1.068 -0.370 -1.981 1.00 0.00 O ATOM 606 CB ILE A 38 -2.070 2.395 -2.370 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.210 3.417 -2.330 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.853 3.016 -3.066 1.00 0.00 C ATOM 609 CD1 ILE A 38 -2.953 4.427 -1.211 1.00 0.00 C ATOM 0 H ILE A 38 -4.077 1.005 -1.749 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.678 1.445 -4.192 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.806 2.108 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.285 3.931 -3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.161 2.910 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.528 3.898 -2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.042 2.289 -3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.123 3.304 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.765 5.154 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.900 3.906 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.011 4.943 -1.396 1.00 0.00 H new ATOM 621 N VAL A 39 -0.896 -0.248 -4.224 1.00 0.00 N ATOM 622 CA VAL A 39 0.172 -1.231 -4.293 1.00 0.00 C ATOM 623 C VAL A 39 1.506 -0.506 -4.371 1.00 0.00 C ATOM 624 O VAL A 39 1.551 0.719 -4.498 1.00 0.00 O ATOM 625 CB VAL A 39 0.006 -2.149 -5.508 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.303 -2.931 -5.382 1.00 0.00 C ATOM 627 CG2 VAL A 39 -0.026 -1.314 -6.789 1.00 0.00 C ATOM 0 H VAL A 39 -1.183 0.134 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 39 0.134 -1.853 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 39 0.846 -2.842 -5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.421 -3.584 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.282 -3.532 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.140 -2.234 -5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.144 -1.972 -7.650 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.863 -0.617 -6.748 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.906 -0.757 -6.884 1.00 0.00 H new ATOM 637 N ALA A 40 2.587 -1.258 -4.272 1.00 0.00 N ATOM 638 CA ALA A 40 3.907 -0.653 -4.311 1.00 0.00 C ATOM 639 C ALA A 40 4.973 -1.678 -4.635 1.00 0.00 C ATOM 640 O ALA A 40 4.691 -2.858 -4.813 1.00 0.00 O ATOM 641 CB ALA A 40 4.233 -0.044 -2.955 1.00 0.00 C ATOM 0 H ALA A 40 2.580 -2.272 -4.166 1.00 0.00 H new ATOM 0 HA ALA A 40 3.896 0.112 -5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.224 0.409 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.493 0.719 -2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.215 -0.823 -2.193 1.00 0.00 H new ATOM 647 N ARG A 41 6.208 -1.198 -4.683 1.00 0.00 N ATOM 648 CA ARG A 41 7.351 -2.061 -4.955 1.00 0.00 C ATOM 649 C ARG A 41 8.534 -1.626 -4.094 1.00 0.00 C ATOM 650 O ARG A 41 9.082 -0.536 -4.273 1.00 0.00 O ATOM 651 CB ARG A 41 7.731 -1.993 -6.435 1.00 0.00 C ATOM 652 CG ARG A 41 8.845 -3.003 -6.730 1.00 0.00 C ATOM 653 CD ARG A 41 8.229 -4.313 -7.222 1.00 0.00 C ATOM 654 NE ARG A 41 7.717 -4.163 -8.582 1.00 0.00 N ATOM 655 CZ ARG A 41 7.278 -5.214 -9.269 1.00 0.00 C ATOM 656 NH1 ARG A 41 8.121 -6.115 -9.692 1.00 0.00 N ATOM 657 NH2 ARG A 41 6.003 -5.344 -9.519 1.00 0.00 N ATOM 0 H ARG A 41 6.445 -0.217 -4.537 1.00 0.00 H new ATOM 0 HA ARG A 41 7.084 -3.090 -4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.860 -2.207 -7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.063 -0.986 -6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.523 -2.602 -7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.436 -3.182 -5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.977 -5.105 -7.195 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.421 -4.614 -6.555 1.00 0.00 H new ATOM 0 HE ARG A 41 7.696 -3.238 -9.011 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.117 -6.014 -9.496 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.784 -6.921 -10.219 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.344 -4.640 -9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.666 -6.150 -10.046 1.00 0.00 H new ATOM 671 N LEU A 42 8.906 -2.483 -3.141 1.00 0.00 N ATOM 672 CA LEU A 42 10.007 -2.176 -2.232 1.00 0.00 C ATOM 673 C LEU A 42 11.357 -2.431 -2.890 1.00 0.00 C ATOM 674 O LEU A 42 11.472 -3.212 -3.840 1.00 0.00 O ATOM 675 CB LEU A 42 9.914 -3.021 -0.962 1.00 0.00 C ATOM 676 CG LEU A 42 8.488 -2.991 -0.402 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.414 -3.878 0.840 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.112 -1.557 -0.020 1.00 0.00 C ATOM 0 H LEU A 42 8.464 -3.388 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 42 9.926 -1.119 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.204 -4.049 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.613 -2.644 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 42 7.796 -3.357 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.401 -3.859 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.679 -4.901 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.109 -3.508 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.097 -1.541 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.804 -1.189 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.166 -0.919 -0.902 1.00 0.00 H new ATOM 690 N LYS A 43 12.375 -1.753 -2.361 1.00 0.00 N ATOM 691 CA LYS A 43 13.739 -1.872 -2.877 1.00 0.00 C ATOM 692 C LYS A 43 14.502 -2.986 -2.167 1.00 0.00 C ATOM 693 O LYS A 43 14.867 -3.992 -2.774 1.00 0.00 O ATOM 694 CB LYS A 43 14.490 -0.552 -2.672 1.00 0.00 C ATOM 695 CG LYS A 43 15.446 -0.306 -3.839 1.00 0.00 C ATOM 696 CD LYS A 43 16.516 -1.402 -3.871 1.00 0.00 C ATOM 697 CE LYS A 43 17.771 -0.871 -4.566 1.00 0.00 C ATOM 698 NZ LYS A 43 18.365 0.226 -3.751 1.00 0.00 N ATOM 0 H LYS A 43 12.280 -1.113 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 43 13.674 -2.109 -3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.780 0.271 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.047 -0.583 -1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.893 -0.297 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.916 0.672 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.756 -1.720 -2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.139 -2.278 -4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 43 18.495 -1.675 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.521 -0.504 -5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.399 0.224 -3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.983 1.140 -4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 18.128 0.081 -2.749 1.00 0.00 H new ATOM 712 N ASN A 44 14.746 -2.788 -0.873 1.00 0.00 N ATOM 713 CA ASN A 44 15.479 -3.771 -0.070 1.00 0.00 C ATOM 714 C ASN A 44 14.890 -5.175 -0.226 1.00 0.00 C ATOM 715 O ASN A 44 15.587 -6.177 -0.057 1.00 0.00 O ATOM 716 CB ASN A 44 15.442 -3.383 1.409 1.00 0.00 C ATOM 717 CG ASN A 44 16.716 -3.865 2.093 1.00 0.00 C ATOM 718 OD1 ASN A 44 17.281 -4.893 1.716 1.00 0.00 O ATOM 719 ND2 ASN A 44 17.209 -3.179 3.088 1.00 0.00 N ATOM 0 H ASN A 44 14.449 -1.960 -0.357 1.00 0.00 H new ATOM 0 HA ASN A 44 16.508 -3.779 -0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.349 -2.302 1.510 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.569 -3.824 1.890 1.00 0.00 H new ATOM 0 HD21 ASN A 44 18.061 -3.494 3.552 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.742 -2.328 3.401 1.00 0.00 H new ATOM 726 N ASN A 45 13.603 -5.235 -0.554 1.00 0.00 N ATOM 727 CA ASN A 45 12.930 -6.519 -0.733 1.00 0.00 C ATOM 728 C ASN A 45 12.781 -6.870 -2.215 1.00 0.00 C ATOM 729 O ASN A 45 12.508 -8.019 -2.561 1.00 0.00 O ATOM 730 CB ASN A 45 11.539 -6.481 -0.109 1.00 0.00 C ATOM 731 CG ASN A 45 11.640 -6.049 1.348 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.964 -6.855 2.222 1.00 0.00 O ATOM 733 ND2 ASN A 45 11.381 -4.810 1.666 1.00 0.00 N ATOM 0 H ASN A 45 13.009 -4.419 -0.700 1.00 0.00 H new ATOM 0 HA ASN A 45 13.545 -7.275 -0.244 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.902 -5.789 -0.660 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.074 -7.464 -0.175 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.447 -4.509 2.638 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.113 -4.143 0.942 1.00 0.00 H new ATOM 740 N ASN A 46 12.933 -5.859 -3.083 1.00 0.00 N ATOM 741 CA ASN A 46 12.798 -6.037 -4.537 1.00 0.00 C ATOM 742 C ASN A 46 11.566 -6.878 -4.872 1.00 0.00 C ATOM 743 O ASN A 46 11.661 -7.957 -5.456 1.00 0.00 O ATOM 744 CB ASN A 46 14.058 -6.675 -5.150 1.00 0.00 C ATOM 745 CG ASN A 46 14.301 -8.064 -4.570 1.00 0.00 C ATOM 746 OD1 ASN A 46 14.822 -8.199 -3.463 1.00 0.00 O ATOM 747 ND2 ASN A 46 13.959 -9.116 -5.261 1.00 0.00 N ATOM 0 H ASN A 46 13.151 -4.903 -2.801 1.00 0.00 H new ATOM 0 HA ASN A 46 12.675 -5.046 -4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.947 -6.743 -6.232 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.923 -6.040 -4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.123 -10.049 -4.884 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.527 -9.005 -6.178 1.00 0.00 H new ATOM 754 N ARG A 47 10.407 -6.355 -4.486 1.00 0.00 N ATOM 755 CA ARG A 47 9.146 -7.048 -4.734 1.00 0.00 C ATOM 756 C ARG A 47 7.978 -6.077 -4.614 1.00 0.00 C ATOM 757 O ARG A 47 8.143 -4.946 -4.160 1.00 0.00 O ATOM 758 CB ARG A 47 8.953 -8.188 -3.732 1.00 0.00 C ATOM 759 CG ARG A 47 9.662 -9.444 -4.243 1.00 0.00 C ATOM 760 CD ARG A 47 8.977 -10.686 -3.671 1.00 0.00 C ATOM 761 NE ARG A 47 9.288 -10.838 -2.253 1.00 0.00 N ATOM 762 CZ ARG A 47 8.468 -11.497 -1.439 1.00 0.00 C ATOM 763 NH1 ARG A 47 8.589 -12.789 -1.296 1.00 0.00 N ATOM 764 NH2 ARG A 47 7.542 -10.852 -0.783 1.00 0.00 N ATOM 0 H ARG A 47 10.313 -5.461 -4.004 1.00 0.00 H new ATOM 0 HA ARG A 47 9.179 -7.458 -5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.353 -7.902 -2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.891 -8.388 -3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.636 -9.471 -5.332 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.712 -9.427 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.898 -10.607 -3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.303 -11.571 -4.217 1.00 0.00 H new ATOM 0 HE ARG A 47 10.147 -10.433 -1.881 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.312 -13.293 -1.809 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.960 -13.294 -0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.447 -9.843 -0.895 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.913 -11.357 -0.159 1.00 0.00 H new ATOM 778 N GLN A 48 6.798 -6.527 -5.031 1.00 0.00 N ATOM 779 CA GLN A 48 5.608 -5.682 -4.973 1.00 0.00 C ATOM 780 C GLN A 48 4.810 -5.949 -3.698 1.00 0.00 C ATOM 781 O GLN A 48 4.592 -7.100 -3.317 1.00 0.00 O ATOM 782 CB GLN A 48 4.713 -5.941 -6.188 1.00 0.00 C ATOM 783 CG GLN A 48 3.565 -4.928 -6.215 1.00 0.00 C ATOM 784 CD GLN A 48 2.328 -5.575 -6.826 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.387 -6.129 -7.924 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.199 -5.541 -6.172 1.00 0.00 N ATOM 0 H GLN A 48 6.640 -7.461 -5.409 1.00 0.00 H new ATOM 0 HA GLN A 48 5.937 -4.643 -4.975 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.298 -5.865 -7.104 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.314 -6.955 -6.147 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.346 -4.584 -5.204 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.853 -4.051 -6.795 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.150 -5.082 -5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.366 -5.973 -6.571 1.00 0.00 H new ATOM 795 N VAL A 49 4.370 -4.873 -3.040 1.00 0.00 N ATOM 796 CA VAL A 49 3.589 -5.019 -1.805 1.00 0.00 C ATOM 797 C VAL A 49 2.425 -4.038 -1.775 1.00 0.00 C ATOM 798 O VAL A 49 2.256 -3.221 -2.675 1.00 0.00 O ATOM 799 CB VAL A 49 4.451 -4.764 -0.562 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.327 -5.981 -0.284 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.339 -3.533 -0.779 1.00 0.00 C ATOM 0 H VAL A 49 4.536 -3.910 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 49 3.218 -6.044 -1.793 1.00 0.00 H new ATOM 0 HB VAL A 49 3.796 -4.585 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.938 -5.796 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.695 -6.852 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.975 -6.166 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.946 -3.361 0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.990 -3.701 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.712 -2.660 -0.964 1.00 0.00 H new ATOM 811 N CYS A 50 1.640 -4.118 -0.706 1.00 0.00 N ATOM 812 CA CYS A 50 0.505 -3.220 -0.528 1.00 0.00 C ATOM 813 C CYS A 50 0.790 -2.318 0.663 1.00 0.00 C ATOM 814 O CYS A 50 0.865 -2.781 1.802 1.00 0.00 O ATOM 815 CB CYS A 50 -0.781 -4.009 -0.270 1.00 0.00 C ATOM 816 SG CYS A 50 -1.166 -5.031 -1.714 1.00 0.00 S ATOM 0 H CYS A 50 1.768 -4.793 0.048 1.00 0.00 H new ATOM 0 HA CYS A 50 0.368 -2.631 -1.435 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.663 -4.638 0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.605 -3.325 -0.066 1.00 0.00 H new ATOM 821 N ILE A 51 0.979 -1.030 0.396 1.00 0.00 N ATOM 822 CA ILE A 51 1.291 -0.095 1.474 1.00 0.00 C ATOM 823 C ILE A 51 0.029 0.362 2.183 1.00 0.00 C ATOM 824 O ILE A 51 -1.061 0.374 1.611 1.00 0.00 O ATOM 825 CB ILE A 51 2.049 1.123 0.950 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.237 0.662 0.110 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.573 1.934 2.133 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.830 1.859 -0.627 1.00 0.00 C ATOM 0 H ILE A 51 0.924 -0.615 -0.534 1.00 0.00 H new ATOM 0 HA ILE A 51 1.926 -0.625 2.184 1.00 0.00 H new ATOM 0 HB ILE A 51 1.379 1.732 0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.992 0.203 0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.919 -0.098 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.115 2.805 1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.736 2.261 2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.243 1.315 2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.679 1.532 -1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.073 2.298 -1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.163 2.603 0.096 1.00 0.00 H new ATOM 840 N ASP A 52 0.195 0.721 3.450 1.00 0.00 N ATOM 841 CA ASP A 52 -0.928 1.162 4.264 1.00 0.00 C ATOM 842 C ASP A 52 -1.285 2.618 3.940 1.00 0.00 C ATOM 843 O ASP A 52 -0.396 3.440 3.718 1.00 0.00 O ATOM 844 CB ASP A 52 -0.576 1.047 5.754 1.00 0.00 C ATOM 845 CG ASP A 52 -1.767 0.487 6.526 1.00 0.00 C ATOM 846 OD1 ASP A 52 -2.431 -0.389 5.997 1.00 0.00 O ATOM 847 OD2 ASP A 52 -1.998 0.944 7.633 1.00 0.00 O ATOM 0 H ASP A 52 1.093 0.715 3.934 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.784 0.525 4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.290 0.398 5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.303 2.026 6.149 1.00 0.00 H new ATOM 852 N PRO A 53 -2.584 2.962 3.912 1.00 0.00 N ATOM 853 CA PRO A 53 -3.022 4.342 3.613 1.00 0.00 C ATOM 854 C PRO A 53 -2.824 5.288 4.795 1.00 0.00 C ATOM 855 O PRO A 53 -2.768 6.506 4.626 1.00 0.00 O ATOM 856 CB PRO A 53 -4.502 4.171 3.296 1.00 0.00 C ATOM 857 CG PRO A 53 -4.953 2.891 3.979 1.00 0.00 C ATOM 858 CD PRO A 53 -3.708 2.027 4.179 1.00 0.00 C ATOM 0 HA PRO A 53 -2.447 4.791 2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.076 5.025 3.657 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.662 4.112 2.219 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.427 3.111 4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.691 2.369 3.370 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.660 1.621 5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.695 1.179 3.494 1.00 0.00 H new ATOM 866 N LYS A 54 -2.718 4.717 5.992 1.00 0.00 N ATOM 867 CA LYS A 54 -2.525 5.525 7.191 1.00 0.00 C ATOM 868 C LYS A 54 -1.037 5.716 7.506 1.00 0.00 C ATOM 869 O LYS A 54 -0.685 6.193 8.585 1.00 0.00 O ATOM 870 CB LYS A 54 -3.210 4.867 8.394 1.00 0.00 C ATOM 871 CG LYS A 54 -2.648 3.452 8.612 1.00 0.00 C ATOM 872 CD LYS A 54 -1.905 3.389 9.950 1.00 0.00 C ATOM 873 CE LYS A 54 -2.889 3.020 11.064 1.00 0.00 C ATOM 874 NZ LYS A 54 -2.189 3.062 12.379 1.00 0.00 N ATOM 0 H LYS A 54 -2.762 3.711 6.156 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.970 6.501 7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.053 5.471 9.288 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.286 4.818 8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.459 2.723 8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.972 3.190 7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.104 2.652 9.899 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.440 4.351 10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.730 3.713 11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.297 2.024 10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.857 2.811 13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.401 2.384 12.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.820 4.020 12.546 1.00 0.00 H new ATOM 888 N LEU A 55 -0.160 5.346 6.565 1.00 0.00 N ATOM 889 CA LEU A 55 1.275 5.503 6.791 1.00 0.00 C ATOM 890 C LEU A 55 1.621 6.977 6.955 1.00 0.00 C ATOM 891 O LEU A 55 0.861 7.859 6.555 1.00 0.00 O ATOM 892 CB LEU A 55 2.077 4.902 5.632 1.00 0.00 C ATOM 893 CG LEU A 55 2.613 3.520 6.033 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.352 2.883 4.852 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.572 3.661 7.223 1.00 0.00 C ATOM 0 H LEU A 55 -0.413 4.946 5.662 1.00 0.00 H new ATOM 0 HA LEU A 55 1.538 4.970 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.446 4.815 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.904 5.561 5.370 1.00 0.00 H new ATOM 0 HG LEU A 55 1.775 2.883 6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.729 1.903 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.667 2.772 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.186 3.520 4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.950 2.678 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.406 4.304 6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.042 4.101 8.068 1.00 0.00 H new ATOM 907 N LYS A 56 2.764 7.233 7.579 1.00 0.00 N ATOM 908 CA LYS A 56 3.191 8.600 7.831 1.00 0.00 C ATOM 909 C LYS A 56 3.676 9.286 6.565 1.00 0.00 C ATOM 910 O LYS A 56 3.430 10.474 6.364 1.00 0.00 O ATOM 911 CB LYS A 56 4.306 8.633 8.877 1.00 0.00 C ATOM 912 CG LYS A 56 4.332 10.005 9.554 1.00 0.00 C ATOM 913 CD LYS A 56 5.772 10.367 9.922 1.00 0.00 C ATOM 914 CE LYS A 56 6.094 9.831 11.319 1.00 0.00 C ATOM 915 NZ LYS A 56 7.453 10.288 11.724 1.00 0.00 N ATOM 0 H LYS A 56 3.407 6.517 7.917 1.00 0.00 H new ATOM 0 HA LYS A 56 2.320 9.139 8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.145 7.852 9.620 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.268 8.430 8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.916 10.759 8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.709 9.992 10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.462 9.945 9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.904 11.449 9.897 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.352 10.183 12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.049 8.742 11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.673 9.924 12.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.156 9.932 11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.480 11.328 11.737 1.00 0.00 H new ATOM 929 N TRP A 57 4.371 8.545 5.712 1.00 0.00 N ATOM 930 CA TRP A 57 4.868 9.140 4.480 1.00 0.00 C ATOM 931 C TRP A 57 3.808 9.083 3.391 1.00 0.00 C ATOM 932 O TRP A 57 3.768 9.941 2.507 1.00 0.00 O ATOM 933 CB TRP A 57 6.163 8.473 4.007 1.00 0.00 C ATOM 934 CG TRP A 57 5.949 7.037 3.643 1.00 0.00 C ATOM 935 CD1 TRP A 57 5.960 5.992 4.507 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.716 6.473 2.325 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.777 4.823 3.789 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.616 5.070 2.443 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.588 7.041 1.047 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.403 4.257 1.334 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.364 6.226 -0.076 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.275 4.835 0.069 1.00 0.00 C ATOM 0 H TRP A 57 4.598 7.559 5.844 1.00 0.00 H new ATOM 0 HA TRP A 57 5.097 10.185 4.692 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.555 9.012 3.144 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.915 8.540 4.794 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.090 6.060 5.577 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.763 3.892 4.206 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.662 8.112 0.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.337 3.185 1.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.260 6.673 -1.054 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.108 4.211 -0.796 1.00 0.00 H new ATOM 953 N ILE A 58 2.935 8.080 3.464 1.00 0.00 N ATOM 954 CA ILE A 58 1.884 7.967 2.474 1.00 0.00 C ATOM 955 C ILE A 58 0.757 8.957 2.783 1.00 0.00 C ATOM 956 O ILE A 58 -0.040 9.269 1.903 1.00 0.00 O ATOM 957 CB ILE A 58 1.361 6.518 2.365 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.445 5.694 1.618 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.003 6.474 1.614 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.847 4.532 0.808 1.00 0.00 C ATOM 0 H ILE A 58 2.938 7.355 4.181 1.00 0.00 H new ATOM 0 HA ILE A 58 2.301 8.223 1.500 1.00 0.00 H new ATOM 0 HB ILE A 58 1.182 6.098 3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.000 6.352 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.159 5.299 2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.344 5.443 1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.731 7.071 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.130 6.877 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.647 3.989 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.315 3.857 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.154 4.926 0.065 1.00 0.00 H new ATOM 972 N GLN A 59 0.688 9.461 4.021 1.00 0.00 N ATOM 973 CA GLN A 59 -0.360 10.417 4.340 1.00 0.00 C ATOM 974 C GLN A 59 -0.109 11.724 3.589 1.00 0.00 C ATOM 975 O GLN A 59 -1.046 12.435 3.225 1.00 0.00 O ATOM 976 CB GLN A 59 -0.463 10.680 5.848 1.00 0.00 C ATOM 977 CG GLN A 59 0.841 11.289 6.379 1.00 0.00 C ATOM 978 CD GLN A 59 0.556 12.631 7.048 1.00 0.00 C ATOM 979 OE1 GLN A 59 0.679 12.764 8.267 1.00 0.00 O ATOM 980 NE2 GLN A 59 0.179 13.644 6.317 1.00 0.00 N ATOM 0 H GLN A 59 1.322 9.230 4.786 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.311 9.988 4.024 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.295 11.355 6.049 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.675 9.748 6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.305 10.609 7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.549 11.424 5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.077 13.535 5.308 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.014 14.545 6.755 1.00 0.00 H new ATOM 989 N GLU A 60 1.168 12.017 3.328 1.00 0.00 N ATOM 990 CA GLU A 60 1.520 13.221 2.587 1.00 0.00 C ATOM 991 C GLU A 60 1.316 12.963 1.098 1.00 0.00 C ATOM 992 O GLU A 60 0.869 13.833 0.350 1.00 0.00 O ATOM 993 CB GLU A 60 2.981 13.605 2.838 1.00 0.00 C ATOM 994 CG GLU A 60 3.120 15.129 2.823 1.00 0.00 C ATOM 995 CD GLU A 60 4.289 15.542 3.711 1.00 0.00 C ATOM 996 OE1 GLU A 60 5.419 15.427 3.261 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.040 15.967 4.826 1.00 0.00 O ATOM 0 H GLU A 60 1.961 11.444 3.616 1.00 0.00 H new ATOM 0 HA GLU A 60 0.883 14.040 2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.312 13.209 3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.620 13.164 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.282 15.480 1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.199 15.592 3.177 1.00 0.00 H new ATOM 1004 N TYR A 61 1.639 11.738 0.688 1.00 0.00 N ATOM 1005 CA TYR A 61 1.482 11.331 -0.705 1.00 0.00 C ATOM 1006 C TYR A 61 -0.004 11.318 -1.068 1.00 0.00 C ATOM 1007 O TYR A 61 -0.430 11.944 -2.038 1.00 0.00 O ATOM 1008 CB TYR A 61 2.117 9.928 -0.902 1.00 0.00 C ATOM 1009 CG TYR A 61 1.527 9.190 -2.090 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.408 9.822 -3.332 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.091 7.872 -1.930 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.853 9.132 -4.416 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.536 7.181 -3.010 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.417 7.810 -4.255 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.132 7.129 -5.322 1.00 0.00 O ATOM 0 H TYR A 61 2.010 11.012 1.300 1.00 0.00 H new ATOM 0 HA TYR A 61 1.989 12.037 -1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.193 10.035 -1.041 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.970 9.335 0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.744 10.841 -3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.183 7.387 -0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.761 9.618 -5.376 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.199 6.163 -2.885 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.381 6.224 -5.040 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.780 10.594 -0.273 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.213 10.496 -0.511 1.00 0.00 C ATOM 1027 C LEU A 62 -2.867 11.873 -0.399 1.00 0.00 C ATOM 1028 O LEU A 62 -3.906 12.134 -1.006 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.843 9.544 0.511 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.826 8.603 -0.190 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.885 7.272 0.562 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.217 9.238 -0.208 1.00 0.00 C ATOM 0 H LEU A 62 -0.445 10.070 0.536 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.375 10.110 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.065 8.966 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.360 10.115 1.282 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.492 8.428 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.585 6.603 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.894 6.817 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.217 7.447 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.917 8.568 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.550 9.414 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.177 10.186 -0.745 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.243 12.752 0.384 1.00 0.00 N ATOM 1045 CA GLU A 63 -2.768 14.102 0.569 1.00 0.00 C ATOM 1046 C GLU A 63 -2.653 14.902 -0.726 1.00 0.00 C ATOM 1047 O GLU A 63 -3.558 15.655 -1.087 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.001 14.828 1.680 1.00 0.00 C ATOM 1049 CG GLU A 63 -2.774 14.714 2.998 1.00 0.00 C ATOM 1050 CD GLU A 63 -1.985 15.396 4.110 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -0.837 15.033 4.304 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -2.541 16.270 4.753 1.00 0.00 O ATOM 0 H GLU A 63 -1.382 12.556 0.895 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.818 14.020 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.007 14.396 1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.865 15.877 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.756 15.177 2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.940 13.665 3.245 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.530 14.734 -1.423 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.314 15.451 -2.677 1.00 0.00 C ATOM 1061 C LYS A 64 -1.948 14.695 -3.842 1.00 0.00 C ATOM 1062 O LYS A 64 -2.373 15.294 -4.830 1.00 0.00 O ATOM 1063 CB LYS A 64 0.182 15.637 -2.949 1.00 0.00 C ATOM 1064 CG LYS A 64 0.893 14.281 -2.915 1.00 0.00 C ATOM 1065 CD LYS A 64 2.253 14.403 -3.607 1.00 0.00 C ATOM 1066 CE LYS A 64 3.269 13.502 -2.902 1.00 0.00 C ATOM 1067 NZ LYS A 64 4.623 13.732 -3.481 1.00 0.00 N ATOM 0 H LYS A 64 -0.767 14.117 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.782 16.431 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.327 16.109 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.616 16.303 -2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.025 13.953 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.285 13.526 -3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.166 14.119 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.593 15.439 -3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.278 13.714 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.985 12.456 -3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.314 13.120 -3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.609 13.509 -4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.893 14.728 -3.349 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.011 13.372 -3.716 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.600 12.546 -4.766 1.00 0.00 C ATOM 1083 C ALA A 65 -3.980 12.045 -4.342 1.00 0.00 C ATOM 1084 O ALA A 65 -4.427 10.982 -4.773 1.00 0.00 O ATOM 1085 CB ALA A 65 -1.704 11.343 -5.067 1.00 0.00 C ATOM 0 H ALA A 65 -1.666 12.854 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.696 13.160 -5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.158 10.738 -5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.726 11.692 -5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.589 10.741 -4.166 1.00 0.00 H new