USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 470 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 39 LYS NZ :NH3+ -130:sc= -0.47 (180deg=0) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -158:sc= -9.16! (180deg=-9.04!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -3.32 K(o=-3.3,f=-1.4) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -2.88! C(o=-2.9!,f=-7.7!) USER MOD Single : A 36 ASN : amide:sc= -8.59! C(o=-8.6!,f=-17!) USER MOD Single : A 40 LYS NZ :NH3+ 140:sc= -3.41! (180deg=-6.67!) USER MOD Single : A 47 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-5.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.1! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= -0.0646 (180deg=-0.125) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.00206! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.187) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 24 -5.887 6.280 -1.603 1.00 0.00 N ATOM 116 CA PRO A 24 -4.975 7.391 -1.890 1.00 0.00 C ATOM 117 C PRO A 24 -4.023 7.456 -0.713 1.00 0.00 C ATOM 118 O PRO A 24 -4.025 8.397 0.055 1.00 0.00 O ATOM 119 CB PRO A 24 -5.890 8.613 -1.956 1.00 0.00 C ATOM 120 CG PRO A 24 -7.083 8.235 -1.141 1.00 0.00 C ATOM 121 CD PRO A 24 -7.244 6.743 -1.286 1.00 0.00 C ATOM 0 HA PRO A 24 -4.391 7.308 -2.806 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.399 9.498 -1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.169 8.844 -2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.942 8.510 -0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.973 8.757 -1.491 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.619 6.289 -0.369 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.949 6.491 -2.078 1.00 0.00 H new ATOM 129 N ILE A 25 -3.237 6.426 -0.546 1.00 0.00 N ATOM 130 CA ILE A 25 -2.288 6.354 0.598 1.00 0.00 C ATOM 131 C ILE A 25 -1.246 7.461 0.517 1.00 0.00 C ATOM 132 O ILE A 25 -0.063 7.227 0.667 1.00 0.00 O ATOM 133 CB ILE A 25 -1.625 4.997 0.431 1.00 0.00 C ATOM 134 CG1 ILE A 25 -0.833 5.003 -0.875 1.00 0.00 C ATOM 135 CG2 ILE A 25 -2.699 3.913 0.366 1.00 0.00 C ATOM 136 CD1 ILE A 25 0.119 3.814 -0.898 1.00 0.00 C ATOM 0 H ILE A 25 -3.214 5.617 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.787 6.475 1.560 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.962 4.797 1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.513 4.954 -1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.272 5.933 -0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.226 2.939 0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.282 3.923 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.357 4.103 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.684 3.818 -1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.808 3.883 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.453 2.889 -0.825 1.00 0.00 H new ATOM 148 N SER A 26 -1.668 8.661 0.289 1.00 0.00 N ATOM 149 CA SER A 26 -0.688 9.771 0.209 1.00 0.00 C ATOM 150 C SER A 26 0.061 9.889 1.537 1.00 0.00 C ATOM 151 O SER A 26 1.231 9.575 1.639 1.00 0.00 O ATOM 152 CB SER A 26 -1.531 11.020 -0.049 1.00 0.00 C ATOM 153 OG SER A 26 -1.655 11.223 -1.452 1.00 0.00 O ATOM 0 H SER A 26 -2.644 8.925 0.154 1.00 0.00 H new ATOM 0 HA SER A 26 0.059 9.620 -0.570 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.517 10.907 0.402 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.066 11.889 0.416 1.00 0.00 H new ATOM 0 HG SER A 26 -2.197 12.022 -1.620 1.00 0.00 H new ATOM 159 N ARG A 27 -0.615 10.327 2.557 1.00 0.00 N ATOM 160 CA ARG A 27 0.042 10.476 3.888 1.00 0.00 C ATOM 161 C ARG A 27 0.092 9.131 4.620 1.00 0.00 C ATOM 162 O ARG A 27 0.830 8.957 5.567 1.00 0.00 O ATOM 163 CB ARG A 27 -0.832 11.470 4.657 1.00 0.00 C ATOM 164 CG ARG A 27 -1.154 12.678 3.771 1.00 0.00 C ATOM 165 CD ARG A 27 0.121 13.486 3.517 1.00 0.00 C ATOM 166 NE ARG A 27 -0.284 14.538 2.544 1.00 0.00 N ATOM 167 CZ ARG A 27 0.430 15.625 2.415 1.00 0.00 C ATOM 168 NH1 ARG A 27 1.516 15.787 3.121 1.00 0.00 N ATOM 169 NH2 ARG A 27 0.058 16.550 1.573 1.00 0.00 N ATOM 0 H ARG A 27 -1.600 10.591 2.530 1.00 0.00 H new ATOM 0 HA ARG A 27 1.072 10.821 3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.755 10.985 4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.317 11.798 5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.579 12.344 2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.904 13.305 4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.501 13.925 4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.914 12.857 3.113 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.122 14.410 1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.811 15.063 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.070 16.637 3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.788 16.424 1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.613 17.399 1.470 1.00 0.00 H new ATOM 183 N LEU A 28 -0.689 8.182 4.196 1.00 0.00 N ATOM 184 CA LEU A 28 -0.680 6.859 4.881 1.00 0.00 C ATOM 185 C LEU A 28 0.735 6.275 4.905 1.00 0.00 C ATOM 186 O LEU A 28 1.410 6.304 5.915 1.00 0.00 O ATOM 187 CB LEU A 28 -1.610 5.981 4.045 1.00 0.00 C ATOM 188 CG LEU A 28 -2.766 5.480 4.915 1.00 0.00 C ATOM 189 CD1 LEU A 28 -2.218 4.589 6.031 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.496 6.675 5.532 1.00 0.00 C ATOM 0 H LEU A 28 -1.332 8.262 3.408 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.004 6.930 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.998 6.548 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.057 5.136 3.636 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.460 4.907 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.042 4.233 6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.698 3.737 5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.524 5.162 6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.319 6.318 6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.801 7.248 6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.888 7.311 4.738 1.00 0.00 H new ATOM 202 N GLU A 29 1.178 5.729 3.809 1.00 0.00 N ATOM 203 CA GLU A 29 2.539 5.118 3.769 1.00 0.00 C ATOM 204 C GLU A 29 3.622 6.140 3.405 1.00 0.00 C ATOM 205 O GLU A 29 4.761 5.996 3.804 1.00 0.00 O ATOM 206 CB GLU A 29 2.442 4.035 2.694 1.00 0.00 C ATOM 207 CG GLU A 29 2.475 4.674 1.305 1.00 0.00 C ATOM 208 CD GLU A 29 3.894 4.594 0.743 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.802 5.045 1.420 1.00 0.00 O ATOM 210 OE2 GLU A 29 4.049 4.082 -0.352 1.00 0.00 O ATOM 0 H GLU A 29 0.656 5.678 2.934 1.00 0.00 H new ATOM 0 HA GLU A 29 2.826 4.725 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.268 3.331 2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.520 3.467 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.779 4.162 0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.153 5.714 1.363 1.00 0.00 H new ATOM 217 N GLN A 30 3.311 7.162 2.647 1.00 0.00 N ATOM 218 CA GLN A 30 4.386 8.130 2.293 1.00 0.00 C ATOM 219 C GLN A 30 4.766 8.952 3.529 1.00 0.00 C ATOM 220 O GLN A 30 5.898 9.366 3.687 1.00 0.00 O ATOM 221 CB GLN A 30 3.810 8.996 1.155 1.00 0.00 C ATOM 222 CG GLN A 30 3.619 10.452 1.607 1.00 0.00 C ATOM 223 CD GLN A 30 3.032 11.276 0.460 1.00 0.00 C ATOM 224 OE1 GLN A 30 3.602 11.338 -0.612 1.00 0.00 O ATOM 225 NE2 GLN A 30 1.910 11.915 0.642 1.00 0.00 N ATOM 0 H GLN A 30 2.385 7.363 2.268 1.00 0.00 H new ATOM 0 HA GLN A 30 5.304 7.645 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.480 8.964 0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.854 8.585 0.830 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.956 10.490 2.471 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.574 10.874 1.919 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.433 11.862 1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.509 12.468 -0.116 1.00 0.00 H new ATOM 234 N CYS A 31 3.836 9.175 4.415 1.00 0.00 N ATOM 235 CA CYS A 31 4.161 9.949 5.642 1.00 0.00 C ATOM 236 C CYS A 31 4.869 9.029 6.634 1.00 0.00 C ATOM 237 O CYS A 31 5.488 9.473 7.581 1.00 0.00 O ATOM 238 CB CYS A 31 2.815 10.419 6.196 1.00 0.00 C ATOM 239 SG CYS A 31 3.046 11.947 7.138 1.00 0.00 S ATOM 0 H CYS A 31 2.870 8.856 4.342 1.00 0.00 H new ATOM 0 HA CYS A 31 4.820 10.796 5.448 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.113 10.586 5.379 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.384 9.648 6.835 1.00 0.00 H new ATOM 0 HG CYS A 31 1.901 12.346 7.606 1.00 0.00 H new ATOM 245 N GLY A 32 4.798 7.743 6.410 1.00 0.00 N ATOM 246 CA GLY A 32 5.483 6.792 7.325 1.00 0.00 C ATOM 247 C GLY A 32 4.477 5.821 7.948 1.00 0.00 C ATOM 248 O GLY A 32 4.231 5.857 9.139 1.00 0.00 O ATOM 0 H GLY A 32 4.295 7.314 5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.242 6.235 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.999 7.343 8.111 1.00 0.00 H new ATOM 252 N ILE A 33 3.913 4.927 7.174 1.00 0.00 N ATOM 253 CA ILE A 33 2.962 3.948 7.767 1.00 0.00 C ATOM 254 C ILE A 33 3.784 2.848 8.451 1.00 0.00 C ATOM 255 O ILE A 33 4.604 3.125 9.302 1.00 0.00 O ATOM 256 CB ILE A 33 2.110 3.414 6.583 1.00 0.00 C ATOM 257 CG1 ILE A 33 0.933 2.555 7.095 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.979 2.569 5.634 1.00 0.00 C ATOM 259 CD1 ILE A 33 0.467 3.038 8.474 1.00 0.00 C ATOM 0 H ILE A 33 4.070 4.836 6.170 1.00 0.00 H new ATOM 0 HA ILE A 33 2.301 4.373 8.522 1.00 0.00 H new ATOM 0 HB ILE A 33 1.713 4.274 6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.105 2.606 6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.238 1.510 7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.367 2.202 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.789 3.182 5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.397 1.723 6.180 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.363 2.419 8.815 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.291 2.963 9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.141 4.076 8.405 1.00 0.00 H new ATOM 271 N ASN A 34 3.593 1.622 8.090 1.00 0.00 N ATOM 272 CA ASN A 34 4.388 0.530 8.724 1.00 0.00 C ATOM 273 C ASN A 34 5.682 0.302 7.924 1.00 0.00 C ATOM 274 O ASN A 34 6.486 1.200 7.776 1.00 0.00 O ATOM 275 CB ASN A 34 3.477 -0.700 8.686 1.00 0.00 C ATOM 276 CG ASN A 34 2.312 -0.497 9.656 1.00 0.00 C ATOM 277 OD1 ASN A 34 1.170 -0.431 9.248 1.00 0.00 O ATOM 278 ND2 ASN A 34 2.556 -0.393 10.933 1.00 0.00 N ATOM 0 H ASN A 34 2.922 1.319 7.384 1.00 0.00 H new ATOM 0 HA ASN A 34 4.690 0.761 9.745 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.100 -0.857 7.675 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.040 -1.593 8.958 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.788 -0.256 11.590 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.515 -0.449 11.275 1.00 0.00 H new ATOM 285 N ALA A 35 5.894 -0.879 7.404 1.00 0.00 N ATOM 286 CA ALA A 35 7.138 -1.133 6.618 1.00 0.00 C ATOM 287 C ALA A 35 6.991 -0.585 5.205 1.00 0.00 C ATOM 288 O ALA A 35 7.958 -0.276 4.535 1.00 0.00 O ATOM 289 CB ALA A 35 7.256 -2.653 6.543 1.00 0.00 C ATOM 0 H ALA A 35 5.263 -1.676 7.489 1.00 0.00 H new ATOM 0 HA ALA A 35 8.006 -0.659 7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.149 -2.921 5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.327 -3.063 7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.376 -3.062 6.046 1.00 0.00 H new ATOM 295 N ASN A 36 5.784 -0.508 4.734 1.00 0.00 N ATOM 296 CA ASN A 36 5.553 -0.031 3.348 1.00 0.00 C ATOM 297 C ASN A 36 6.463 1.134 2.985 1.00 0.00 C ATOM 298 O ASN A 36 7.331 1.000 2.151 1.00 0.00 O ATOM 299 CB ASN A 36 4.101 0.430 3.304 1.00 0.00 C ATOM 300 CG ASN A 36 3.173 -0.783 3.328 1.00 0.00 C ATOM 301 OD1 ASN A 36 3.283 -1.659 2.497 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.260 -0.871 4.257 1.00 0.00 N ATOM 0 H ASN A 36 4.941 -0.756 5.252 1.00 0.00 H new ATOM 0 HA ASN A 36 5.766 -0.828 2.636 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.890 1.078 4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.923 1.018 2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.637 -1.678 4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.170 -0.133 4.955 1.00 0.00 H new ATOM 309 N ASP A 37 6.239 2.277 3.575 1.00 0.00 N ATOM 310 CA ASP A 37 7.057 3.482 3.246 1.00 0.00 C ATOM 311 C ASP A 37 8.444 3.087 2.729 1.00 0.00 C ATOM 312 O ASP A 37 8.820 3.409 1.620 1.00 0.00 O ATOM 313 CB ASP A 37 7.179 4.243 4.569 1.00 0.00 C ATOM 314 CG ASP A 37 8.215 5.360 4.427 1.00 0.00 C ATOM 315 OD1 ASP A 37 7.899 6.359 3.802 1.00 0.00 O ATOM 316 OD2 ASP A 37 9.307 5.198 4.948 1.00 0.00 O ATOM 0 H ASP A 37 5.517 2.430 4.279 1.00 0.00 H new ATOM 0 HA ASP A 37 6.597 4.080 2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.213 4.663 4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.473 3.561 5.367 1.00 0.00 H new ATOM 321 N VAL A 38 9.195 2.390 3.528 1.00 0.00 N ATOM 322 CA VAL A 38 10.565 1.974 3.118 1.00 0.00 C ATOM 323 C VAL A 38 10.585 1.162 1.814 1.00 0.00 C ATOM 324 O VAL A 38 11.111 1.603 0.810 1.00 0.00 O ATOM 325 CB VAL A 38 11.061 1.101 4.267 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.548 0.800 4.076 1.00 0.00 C ATOM 327 CG2 VAL A 38 10.856 1.838 5.593 1.00 0.00 C ATOM 0 H VAL A 38 8.916 2.085 4.461 1.00 0.00 H new ATOM 0 HA VAL A 38 11.185 2.850 2.927 1.00 0.00 H new ATOM 0 HB VAL A 38 10.501 0.166 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.901 0.176 4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.695 0.275 3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.109 1.734 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.210 1.215 6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.416 2.773 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.796 2.051 5.731 1.00 0.00 H new ATOM 337 N LYS A 39 10.066 -0.037 1.831 1.00 0.00 N ATOM 338 CA LYS A 39 10.133 -0.884 0.602 1.00 0.00 C ATOM 339 C LYS A 39 8.983 -0.610 -0.362 1.00 0.00 C ATOM 340 O LYS A 39 9.128 -0.742 -1.560 1.00 0.00 O ATOM 341 CB LYS A 39 10.066 -2.318 1.121 1.00 0.00 C ATOM 342 CG LYS A 39 11.456 -2.756 1.584 1.00 0.00 C ATOM 343 CD LYS A 39 11.628 -2.427 3.067 1.00 0.00 C ATOM 344 CE LYS A 39 10.813 -3.415 3.906 1.00 0.00 C ATOM 345 NZ LYS A 39 11.322 -3.259 5.298 1.00 0.00 N ATOM 0 H LYS A 39 9.603 -0.464 2.633 1.00 0.00 H new ATOM 0 HA LYS A 39 11.039 -0.677 0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.358 -2.385 1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.705 -2.984 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.585 -3.826 1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.222 -2.250 0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.681 -2.481 3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.299 -1.407 3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.747 -3.194 3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.946 -4.437 3.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.548 -4.195 5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.179 -2.670 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.594 -2.803 5.885 1.00 0.00 H new ATOM 359 N LYS A 40 7.842 -0.250 0.128 1.00 0.00 N ATOM 360 CA LYS A 40 6.712 -0.004 -0.798 1.00 0.00 C ATOM 361 C LYS A 40 6.941 1.264 -1.625 1.00 0.00 C ATOM 362 O LYS A 40 7.011 1.217 -2.833 1.00 0.00 O ATOM 363 CB LYS A 40 5.493 0.174 0.085 1.00 0.00 C ATOM 364 CG LYS A 40 4.424 -0.844 -0.314 1.00 0.00 C ATOM 365 CD LYS A 40 3.356 -0.161 -1.171 1.00 0.00 C ATOM 366 CE LYS A 40 2.849 1.090 -0.452 1.00 0.00 C ATOM 367 NZ LYS A 40 1.494 1.348 -1.019 1.00 0.00 N ATOM 0 H LYS A 40 7.640 -0.116 1.119 1.00 0.00 H new ATOM 0 HA LYS A 40 6.598 -0.827 -1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.766 0.040 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.102 1.187 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.879 -1.665 -0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.968 -1.275 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.771 0.108 -2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.530 -0.847 -1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.801 0.932 0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.514 1.937 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.851 1.648 -0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.555 2.098 -1.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.130 0.478 -1.457 1.00 0.00 H new ATOM 381 N LEU A 41 7.025 2.402 -0.987 1.00 0.00 N ATOM 382 CA LEU A 41 7.190 3.671 -1.758 1.00 0.00 C ATOM 383 C LEU A 41 8.622 3.891 -2.268 1.00 0.00 C ATOM 384 O LEU A 41 8.831 4.653 -3.191 1.00 0.00 O ATOM 385 CB LEU A 41 6.778 4.779 -0.772 1.00 0.00 C ATOM 386 CG LEU A 41 8.014 5.417 -0.124 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.529 6.553 -1.010 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.642 5.973 1.252 1.00 0.00 C ATOM 0 H LEU A 41 6.987 2.508 0.027 1.00 0.00 H new ATOM 0 HA LEU A 41 6.582 3.656 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.201 5.542 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.131 4.363 -0.000 1.00 0.00 H new ATOM 0 HG LEU A 41 8.793 4.662 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.407 7.005 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.797 6.157 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.750 7.307 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.521 6.426 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.862 6.726 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.278 5.164 1.885 1.00 0.00 H new ATOM 400 N GLU A 42 9.616 3.287 -1.680 1.00 0.00 N ATOM 401 CA GLU A 42 10.996 3.561 -2.171 1.00 0.00 C ATOM 402 C GLU A 42 11.377 2.672 -3.357 1.00 0.00 C ATOM 403 O GLU A 42 12.184 3.048 -4.184 1.00 0.00 O ATOM 404 CB GLU A 42 11.916 3.290 -0.982 1.00 0.00 C ATOM 405 CG GLU A 42 13.231 4.047 -1.179 1.00 0.00 C ATOM 406 CD GLU A 42 14.197 3.699 -0.046 1.00 0.00 C ATOM 407 OE1 GLU A 42 14.252 2.539 0.326 1.00 0.00 O ATOM 408 OE2 GLU A 42 14.868 4.601 0.431 1.00 0.00 O ATOM 0 H GLU A 42 9.539 2.633 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 42 11.077 4.586 -2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.436 3.606 -0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.108 2.221 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.673 3.785 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.045 5.121 -1.195 1.00 0.00 H new ATOM 415 N GLU A 43 10.820 1.502 -3.454 1.00 0.00 N ATOM 416 CA GLU A 43 11.178 0.611 -4.596 1.00 0.00 C ATOM 417 C GLU A 43 10.417 1.026 -5.855 1.00 0.00 C ATOM 418 O GLU A 43 10.451 0.354 -6.867 1.00 0.00 O ATOM 419 CB GLU A 43 10.756 -0.777 -4.146 1.00 0.00 C ATOM 420 CG GLU A 43 11.358 -1.055 -2.768 1.00 0.00 C ATOM 421 CD GLU A 43 12.882 -1.149 -2.882 1.00 0.00 C ATOM 422 OE1 GLU A 43 13.494 -0.152 -3.228 1.00 0.00 O ATOM 423 OE2 GLU A 43 13.412 -2.216 -2.618 1.00 0.00 O ATOM 0 H GLU A 43 10.136 1.122 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 43 12.238 0.658 -4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.669 -0.845 -4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.094 -1.525 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.084 -0.261 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.955 -1.984 -2.365 1.00 0.00 H new ATOM 430 N ALA A 44 9.729 2.129 -5.798 1.00 0.00 N ATOM 431 CA ALA A 44 8.961 2.598 -6.983 1.00 0.00 C ATOM 432 C ALA A 44 8.231 3.891 -6.639 1.00 0.00 C ATOM 433 O ALA A 44 8.310 4.873 -7.351 1.00 0.00 O ATOM 434 CB ALA A 44 7.957 1.488 -7.267 1.00 0.00 C ATOM 0 H ALA A 44 9.665 2.730 -4.977 1.00 0.00 H new ATOM 0 HA ALA A 44 9.601 2.799 -7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.350 1.759 -8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.490 0.560 -7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.312 1.350 -6.399 1.00 0.00 H new ATOM 440 N GLY A 45 7.525 3.901 -5.544 1.00 0.00 N ATOM 441 CA GLY A 45 6.798 5.134 -5.148 1.00 0.00 C ATOM 442 C GLY A 45 5.288 4.934 -5.293 1.00 0.00 C ATOM 443 O GLY A 45 4.602 5.765 -5.853 1.00 0.00 O ATOM 0 H GLY A 45 7.421 3.110 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.040 5.391 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.122 5.970 -5.769 1.00 0.00 H new ATOM 447 N PHE A 46 4.748 3.860 -4.772 1.00 0.00 N ATOM 448 CA PHE A 46 3.254 3.677 -4.884 1.00 0.00 C ATOM 449 C PHE A 46 2.546 4.463 -3.779 1.00 0.00 C ATOM 450 O PHE A 46 1.408 4.194 -3.451 1.00 0.00 O ATOM 451 CB PHE A 46 2.952 2.187 -4.706 1.00 0.00 C ATOM 452 CG PHE A 46 3.930 1.360 -5.482 1.00 0.00 C ATOM 453 CD1 PHE A 46 5.141 1.035 -4.897 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.628 0.915 -6.773 1.00 0.00 C ATOM 455 CE1 PHE A 46 6.070 0.270 -5.585 1.00 0.00 C ATOM 456 CE2 PHE A 46 4.558 0.137 -7.474 1.00 0.00 C ATOM 457 CZ PHE A 46 5.783 -0.184 -6.879 1.00 0.00 C ATOM 0 H PHE A 46 5.253 3.118 -4.287 1.00 0.00 H new ATOM 0 HA PHE A 46 2.904 4.036 -5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.001 1.923 -3.650 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.937 1.972 -5.042 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.364 1.380 -3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.682 1.170 -7.227 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.015 0.024 -5.124 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.330 -0.214 -8.470 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.506 -0.780 -7.416 1.00 0.00 H new ATOM 467 N HIS A 47 3.214 5.417 -3.192 1.00 0.00 N ATOM 468 CA HIS A 47 2.587 6.214 -2.096 1.00 0.00 C ATOM 469 C HIS A 47 1.361 6.981 -2.609 1.00 0.00 C ATOM 470 O HIS A 47 1.351 8.195 -2.643 1.00 0.00 O ATOM 471 CB HIS A 47 3.678 7.187 -1.648 1.00 0.00 C ATOM 472 CG HIS A 47 4.253 7.881 -2.852 1.00 0.00 C ATOM 473 ND1 HIS A 47 5.386 7.417 -3.503 1.00 0.00 N ATOM 474 CD2 HIS A 47 3.864 9.008 -3.534 1.00 0.00 C ATOM 475 CE1 HIS A 47 5.637 8.253 -4.527 1.00 0.00 C ATOM 476 NE2 HIS A 47 4.741 9.240 -4.592 1.00 0.00 N ATOM 0 H HIS A 47 4.171 5.681 -3.424 1.00 0.00 H new ATOM 0 HA HIS A 47 2.236 5.581 -1.281 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.265 7.920 -0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.463 6.650 -1.114 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.009 9.621 -3.288 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.463 8.139 -5.213 1.00 0.00 H new ATOM 0 HE2 HIS A 47 4.706 10.001 -5.270 1.00 0.00 H new ATOM 484 N THR A 48 0.326 6.284 -2.998 1.00 0.00 N ATOM 485 CA THR A 48 -0.896 6.982 -3.493 1.00 0.00 C ATOM 486 C THR A 48 -1.979 5.967 -3.875 1.00 0.00 C ATOM 487 O THR A 48 -1.800 4.771 -3.755 1.00 0.00 O ATOM 488 CB THR A 48 -0.439 7.769 -4.726 1.00 0.00 C ATOM 489 OG1 THR A 48 0.859 7.337 -5.111 1.00 0.00 O ATOM 490 CG2 THR A 48 -0.402 9.263 -4.401 1.00 0.00 C ATOM 0 H THR A 48 0.274 5.265 -2.994 1.00 0.00 H new ATOM 0 HA THR A 48 -1.329 7.632 -2.732 1.00 0.00 H new ATOM 0 HB THR A 48 -1.139 7.595 -5.543 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.150 7.840 -5.900 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.077 9.819 -5.280 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.398 9.597 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.295 9.440 -3.582 1.00 0.00 H new ATOM 498 N VAL A 49 -3.107 6.445 -4.333 1.00 0.00 N ATOM 499 CA VAL A 49 -4.223 5.530 -4.725 1.00 0.00 C ATOM 500 C VAL A 49 -3.691 4.273 -5.421 1.00 0.00 C ATOM 501 O VAL A 49 -4.323 3.236 -5.411 1.00 0.00 O ATOM 502 CB VAL A 49 -5.084 6.348 -5.688 1.00 0.00 C ATOM 503 CG1 VAL A 49 -6.064 5.423 -6.412 1.00 0.00 C ATOM 504 CG2 VAL A 49 -5.865 7.400 -4.899 1.00 0.00 C ATOM 0 H VAL A 49 -3.305 7.438 -4.454 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.784 5.185 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.444 6.840 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.677 6.008 -7.098 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.508 4.671 -6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.706 4.930 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.480 7.985 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.505 6.906 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.167 8.060 -4.383 1.00 0.00 H new ATOM 514 N GLU A 50 -2.536 4.351 -6.020 1.00 0.00 N ATOM 515 CA GLU A 50 -1.968 3.159 -6.711 1.00 0.00 C ATOM 516 C GLU A 50 -2.090 1.893 -5.847 1.00 0.00 C ATOM 517 O GLU A 50 -1.965 0.793 -6.345 1.00 0.00 O ATOM 518 CB GLU A 50 -0.497 3.504 -6.939 1.00 0.00 C ATOM 519 CG GLU A 50 -0.242 3.696 -8.436 1.00 0.00 C ATOM 520 CD GLU A 50 -0.973 4.949 -8.921 1.00 0.00 C ATOM 521 OE1 GLU A 50 -1.856 5.407 -8.214 1.00 0.00 O ATOM 522 OE2 GLU A 50 -0.639 5.430 -9.991 1.00 0.00 O ATOM 0 H GLU A 50 -1.959 5.191 -6.061 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.499 2.945 -7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.238 4.413 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.138 2.708 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.827 3.790 -8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.588 2.823 -8.990 1.00 0.00 H new ATOM 529 N ALA A 51 -2.324 2.021 -4.563 1.00 0.00 N ATOM 530 CA ALA A 51 -2.439 0.799 -3.719 1.00 0.00 C ATOM 531 C ALA A 51 -3.662 -0.021 -4.141 1.00 0.00 C ATOM 532 O ALA A 51 -4.782 0.447 -4.093 1.00 0.00 O ATOM 533 CB ALA A 51 -2.602 1.319 -2.293 1.00 0.00 C ATOM 0 H ALA A 51 -2.438 2.908 -4.072 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.573 0.144 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.694 0.477 -1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.731 1.915 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.498 1.937 -2.231 1.00 0.00 H new ATOM 539 N VAL A 52 -3.452 -1.241 -4.557 1.00 0.00 N ATOM 540 CA VAL A 52 -4.597 -2.095 -4.987 1.00 0.00 C ATOM 541 C VAL A 52 -5.375 -1.408 -6.113 1.00 0.00 C ATOM 542 O VAL A 52 -6.452 -0.883 -5.908 1.00 0.00 O ATOM 543 CB VAL A 52 -5.471 -2.247 -3.742 1.00 0.00 C ATOM 544 CG1 VAL A 52 -6.780 -2.947 -4.116 1.00 0.00 C ATOM 545 CG2 VAL A 52 -4.729 -3.085 -2.698 1.00 0.00 C ATOM 0 H VAL A 52 -2.535 -1.684 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.270 -3.061 -5.372 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.690 -1.261 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.402 -3.055 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.310 -2.353 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.561 -3.932 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.351 -3.194 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.510 -4.070 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.797 -2.589 -2.429 1.00 0.00 H new ATOM 555 N ALA A 53 -4.838 -1.413 -7.303 1.00 0.00 N ATOM 556 CA ALA A 53 -5.542 -0.762 -8.446 1.00 0.00 C ATOM 557 C ALA A 53 -4.638 -0.742 -9.683 1.00 0.00 C ATOM 558 O ALA A 53 -5.042 -1.115 -10.765 1.00 0.00 O ATOM 559 CB ALA A 53 -5.835 0.662 -7.973 1.00 0.00 C ATOM 0 H ALA A 53 -3.941 -1.840 -7.534 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.452 -1.293 -8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.354 1.208 -8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.462 0.628 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.898 1.167 -7.738 1.00 0.00 H new ATOM 565 N TYR A 54 -3.415 -0.311 -9.528 1.00 0.00 N ATOM 566 CA TYR A 54 -2.486 -0.268 -10.693 1.00 0.00 C ATOM 567 C TYR A 54 -1.553 -1.482 -10.672 1.00 0.00 C ATOM 568 O TYR A 54 -1.576 -2.310 -11.562 1.00 0.00 O ATOM 569 CB TYR A 54 -1.685 1.021 -10.513 1.00 0.00 C ATOM 570 CG TYR A 54 -2.009 1.980 -11.634 1.00 0.00 C ATOM 571 CD1 TYR A 54 -1.782 1.607 -12.965 1.00 0.00 C ATOM 572 CD2 TYR A 54 -2.536 3.243 -11.341 1.00 0.00 C ATOM 573 CE1 TYR A 54 -2.082 2.500 -14.002 1.00 0.00 C ATOM 574 CE2 TYR A 54 -2.835 4.135 -12.378 1.00 0.00 C ATOM 575 CZ TYR A 54 -2.608 3.762 -13.708 1.00 0.00 C ATOM 576 OH TYR A 54 -2.904 4.641 -14.730 1.00 0.00 O ATOM 0 H TYR A 54 -3.020 0.013 -8.645 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.018 -0.291 -11.644 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -1.921 1.477 -9.551 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.618 0.800 -10.507 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.376 0.632 -13.192 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.712 3.530 -10.315 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.907 2.214 -15.029 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.240 5.110 -12.152 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.262 5.472 -14.353 1.00 0.00 H new ATOM 586 N ALA A 55 -0.732 -1.596 -9.663 1.00 0.00 N ATOM 587 CA ALA A 55 0.203 -2.758 -9.588 1.00 0.00 C ATOM 588 C ALA A 55 -0.300 -3.775 -8.561 1.00 0.00 C ATOM 589 O ALA A 55 -0.798 -3.409 -7.515 1.00 0.00 O ATOM 590 CB ALA A 55 1.541 -2.166 -9.137 1.00 0.00 C ATOM 0 H ALA A 55 -0.667 -0.936 -8.888 1.00 0.00 H new ATOM 0 HA ALA A 55 0.287 -3.279 -10.542 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.283 -2.961 -9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.876 -1.428 -9.866 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.418 -1.687 -8.166 1.00 0.00 H new ATOM 596 N PRO A 56 -0.139 -5.027 -8.892 1.00 0.00 N ATOM 597 CA PRO A 56 -0.569 -6.114 -7.981 1.00 0.00 C ATOM 598 C PRO A 56 0.335 -6.143 -6.750 1.00 0.00 C ATOM 599 O PRO A 56 1.510 -6.435 -6.834 1.00 0.00 O ATOM 600 CB PRO A 56 -0.416 -7.376 -8.828 1.00 0.00 C ATOM 601 CG PRO A 56 0.599 -7.021 -9.865 1.00 0.00 C ATOM 602 CD PRO A 56 0.453 -5.545 -10.130 1.00 0.00 C ATOM 0 HA PRO A 56 -1.586 -5.998 -7.605 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.085 -8.220 -8.223 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.363 -7.663 -9.284 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.605 -7.253 -9.516 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.437 -7.595 -10.777 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.416 -5.079 -10.339 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.188 -5.354 -10.991 1.00 0.00 H new ATOM 610 N LYS A 57 -0.217 -5.821 -5.613 1.00 0.00 N ATOM 611 CA LYS A 57 0.578 -5.803 -4.352 1.00 0.00 C ATOM 612 C LYS A 57 1.629 -6.922 -4.349 1.00 0.00 C ATOM 613 O LYS A 57 2.736 -6.737 -3.895 1.00 0.00 O ATOM 614 CB LYS A 57 -0.472 -6.011 -3.247 1.00 0.00 C ATOM 615 CG LYS A 57 0.087 -6.884 -2.116 1.00 0.00 C ATOM 616 CD LYS A 57 0.005 -8.356 -2.522 1.00 0.00 C ATOM 617 CE LYS A 57 -0.593 -9.170 -1.376 1.00 0.00 C ATOM 618 NZ LYS A 57 -1.776 -9.855 -1.967 1.00 0.00 N ATOM 0 H LYS A 57 -1.198 -5.566 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 57 1.139 -4.878 -4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.781 -5.045 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.361 -6.480 -3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.121 -6.610 -1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.478 -6.716 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.608 -8.463 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.998 -8.732 -2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.126 -9.890 -0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.883 -8.527 -0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.119 -10.584 -1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.530 -9.160 -2.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.506 -10.300 -2.867 1.00 0.00 H new ATOM 632 N LYS A 58 1.284 -8.082 -4.832 1.00 0.00 N ATOM 633 CA LYS A 58 2.263 -9.212 -4.826 1.00 0.00 C ATOM 634 C LYS A 58 3.470 -8.909 -5.724 1.00 0.00 C ATOM 635 O LYS A 58 4.541 -9.459 -5.550 1.00 0.00 O ATOM 636 CB LYS A 58 1.479 -10.407 -5.371 1.00 0.00 C ATOM 637 CG LYS A 58 2.311 -11.683 -5.217 1.00 0.00 C ATOM 638 CD LYS A 58 1.729 -12.541 -4.090 1.00 0.00 C ATOM 639 CE LYS A 58 1.457 -13.954 -4.613 1.00 0.00 C ATOM 640 NZ LYS A 58 0.885 -14.691 -3.452 1.00 0.00 N ATOM 0 H LYS A 58 0.370 -8.300 -5.230 1.00 0.00 H new ATOM 0 HA LYS A 58 2.665 -9.393 -3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.535 -10.510 -4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.234 -10.245 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.312 -12.244 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.348 -11.429 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.424 -12.580 -3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.806 -12.095 -3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.761 -13.937 -5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.373 -14.427 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.672 -15.670 -3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.572 -14.696 -2.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.011 -14.222 -3.140 1.00 0.00 H new ATOM 654 N GLU A 59 3.314 -8.037 -6.673 1.00 0.00 N ATOM 655 CA GLU A 59 4.457 -7.714 -7.573 1.00 0.00 C ATOM 656 C GLU A 59 5.325 -6.640 -6.935 1.00 0.00 C ATOM 657 O GLU A 59 6.521 -6.798 -6.795 1.00 0.00 O ATOM 658 CB GLU A 59 3.823 -7.209 -8.867 1.00 0.00 C ATOM 659 CG GLU A 59 4.919 -6.726 -9.819 1.00 0.00 C ATOM 660 CD GLU A 59 5.792 -7.913 -10.233 1.00 0.00 C ATOM 661 OE1 GLU A 59 5.437 -9.029 -9.894 1.00 0.00 O ATOM 662 OE2 GLU A 59 6.801 -7.682 -10.880 1.00 0.00 O ATOM 0 H GLU A 59 2.449 -7.533 -6.868 1.00 0.00 H new ATOM 0 HA GLU A 59 5.099 -8.575 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.245 -8.005 -9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.130 -6.396 -8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.473 -6.264 -10.700 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.528 -5.964 -9.333 1.00 0.00 H new ATOM 669 N LEU A 60 4.740 -5.553 -6.530 1.00 0.00 N ATOM 670 CA LEU A 60 5.552 -4.498 -5.888 1.00 0.00 C ATOM 671 C LEU A 60 6.332 -5.134 -4.730 1.00 0.00 C ATOM 672 O LEU A 60 7.547 -5.174 -4.733 1.00 0.00 O ATOM 673 CB LEU A 60 4.532 -3.448 -5.408 1.00 0.00 C ATOM 674 CG LEU A 60 4.848 -2.974 -3.983 1.00 0.00 C ATOM 675 CD1 LEU A 60 6.309 -2.504 -3.896 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.922 -1.812 -3.622 1.00 0.00 C ATOM 0 H LEU A 60 3.744 -5.353 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 60 6.285 -4.032 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.538 -2.595 -6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.528 -3.872 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 60 4.696 -3.800 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.524 -2.170 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.973 -3.329 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.468 -1.679 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.143 -1.472 -2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.077 -0.992 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.885 -2.143 -3.675 1.00 0.00 H new ATOM 688 N ILE A 61 5.639 -5.633 -3.742 1.00 0.00 N ATOM 689 CA ILE A 61 6.337 -6.265 -2.589 1.00 0.00 C ATOM 690 C ILE A 61 7.409 -7.200 -3.115 1.00 0.00 C ATOM 691 O ILE A 61 8.459 -7.353 -2.525 1.00 0.00 O ATOM 692 CB ILE A 61 5.260 -7.043 -1.862 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.642 -8.041 -2.843 1.00 0.00 C ATOM 694 CG2 ILE A 61 4.199 -6.067 -1.350 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.476 -9.325 -2.845 1.00 0.00 C ATOM 0 H ILE A 61 4.621 -5.630 -3.685 1.00 0.00 H new ATOM 0 HA ILE A 61 6.822 -5.542 -1.932 1.00 0.00 H new ATOM 0 HB ILE A 61 5.678 -7.583 -1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.614 -8.261 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.609 -7.612 -3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.420 -6.619 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.660 -5.353 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.760 -5.532 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.041 -10.041 -3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.497 -9.095 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.485 -9.754 -1.843 1.00 0.00 H new ATOM 707 N ASN A 62 7.165 -7.813 -4.240 1.00 0.00 N ATOM 708 CA ASN A 62 8.190 -8.715 -4.813 1.00 0.00 C ATOM 709 C ASN A 62 9.555 -8.015 -4.814 1.00 0.00 C ATOM 710 O ASN A 62 10.577 -8.652 -4.968 1.00 0.00 O ATOM 711 CB ASN A 62 7.724 -8.996 -6.243 1.00 0.00 C ATOM 712 CG ASN A 62 8.094 -10.429 -6.629 1.00 0.00 C ATOM 713 OD1 ASN A 62 8.801 -10.646 -7.592 1.00 0.00 O ATOM 714 ND2 ASN A 62 7.643 -11.422 -5.914 1.00 0.00 N ATOM 0 H ASN A 62 6.305 -7.726 -4.781 1.00 0.00 H new ATOM 0 HA ASN A 62 8.302 -9.636 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.646 -8.854 -6.320 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.188 -8.291 -6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.884 -12.381 -6.164 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.049 -11.240 -5.105 1.00 0.00 H new ATOM 721 N ILE A 63 9.598 -6.710 -4.632 1.00 0.00 N ATOM 722 CA ILE A 63 10.927 -6.036 -4.619 1.00 0.00 C ATOM 723 C ILE A 63 11.781 -6.635 -3.509 1.00 0.00 C ATOM 724 O ILE A 63 12.497 -7.597 -3.706 1.00 0.00 O ATOM 725 CB ILE A 63 10.633 -4.559 -4.357 1.00 0.00 C ATOM 726 CG1 ILE A 63 10.198 -3.888 -5.660 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.897 -3.873 -3.834 1.00 0.00 C ATOM 728 CD1 ILE A 63 9.193 -2.777 -5.352 1.00 0.00 C ATOM 0 H ILE A 63 8.789 -6.103 -4.496 1.00 0.00 H new ATOM 0 HA ILE A 63 11.475 -6.162 -5.553 1.00 0.00 H new ATOM 0 HB ILE A 63 9.837 -4.473 -3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.065 -3.476 -6.176 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.750 -4.623 -6.328 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.688 -2.820 -3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 63 12.213 -4.351 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.691 -3.959 -4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.883 -2.299 -6.281 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.321 -3.202 -4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.657 -2.037 -4.700 1.00 0.00 H new ATOM 740 N LYS A 64 11.693 -6.084 -2.340 1.00 0.00 N ATOM 741 CA LYS A 64 12.481 -6.629 -1.204 1.00 0.00 C ATOM 742 C LYS A 64 12.116 -8.102 -1.004 1.00 0.00 C ATOM 743 O LYS A 64 12.830 -8.854 -0.372 1.00 0.00 O ATOM 744 CB LYS A 64 12.070 -5.795 0.012 1.00 0.00 C ATOM 745 CG LYS A 64 13.318 -5.396 0.805 1.00 0.00 C ATOM 746 CD LYS A 64 14.136 -4.383 0.001 1.00 0.00 C ATOM 747 CE LYS A 64 15.487 -4.156 0.684 1.00 0.00 C ATOM 748 NZ LYS A 64 16.494 -4.728 -0.254 1.00 0.00 N ATOM 0 H LYS A 64 11.109 -5.278 -2.118 1.00 0.00 H new ATOM 0 HA LYS A 64 13.557 -6.576 -1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.531 -4.904 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.391 -6.366 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.029 -4.966 1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.922 -6.278 1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.287 -4.747 -1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.593 -3.441 -0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.668 -3.095 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.526 -4.650 1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.447 -4.610 0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.301 -5.740 -0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.438 -4.234 -1.167 1.00 0.00 H new ATOM 762 N GLY A 65 11.004 -8.519 -1.555 1.00 0.00 N ATOM 763 CA GLY A 65 10.587 -9.941 -1.417 1.00 0.00 C ATOM 764 C GLY A 65 9.433 -10.054 -0.421 1.00 0.00 C ATOM 765 O GLY A 65 9.192 -11.105 0.139 1.00 0.00 O ATOM 0 H GLY A 65 10.368 -7.932 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.281 -10.334 -2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.430 -10.544 -1.080 1.00 0.00 H new ATOM 769 N ILE A 66 8.714 -8.989 -0.184 1.00 0.00 N ATOM 770 CA ILE A 66 7.590 -9.071 0.787 1.00 0.00 C ATOM 771 C ILE A 66 6.331 -9.637 0.118 1.00 0.00 C ATOM 772 O ILE A 66 6.390 -10.537 -0.694 1.00 0.00 O ATOM 773 CB ILE A 66 7.315 -7.642 1.278 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.571 -6.765 1.223 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.849 -7.726 2.722 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.459 -5.774 0.063 1.00 0.00 C ATOM 0 H ILE A 66 8.856 -8.076 -0.617 1.00 0.00 H new ATOM 0 HA ILE A 66 7.852 -9.733 1.613 1.00 0.00 H new ATOM 0 HB ILE A 66 6.562 -7.192 0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.692 -6.227 2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.456 -7.388 1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.646 -6.723 3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.940 -8.325 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.626 -8.190 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.354 -5.153 0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.360 -6.321 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.583 -5.141 0.208 1.00 0.00 H new ATOM 788 N SER A 67 5.192 -9.110 0.481 1.00 0.00 N ATOM 789 CA SER A 67 3.901 -9.584 -0.087 1.00 0.00 C ATOM 790 C SER A 67 2.775 -8.901 0.686 1.00 0.00 C ATOM 791 O SER A 67 2.832 -7.716 0.954 1.00 0.00 O ATOM 792 CB SER A 67 3.892 -11.096 0.142 1.00 0.00 C ATOM 793 OG SER A 67 2.580 -11.600 -0.073 1.00 0.00 O ATOM 0 H SER A 67 5.103 -8.355 1.162 1.00 0.00 H new ATOM 0 HA SER A 67 3.774 -9.357 -1.145 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.595 -11.581 -0.535 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.219 -11.323 1.157 1.00 0.00 H new ATOM 0 HG SER A 67 2.574 -12.569 0.072 1.00 0.00 H new ATOM 799 N GLU A 68 1.770 -9.624 1.079 1.00 0.00 N ATOM 800 CA GLU A 68 0.688 -8.982 1.865 1.00 0.00 C ATOM 801 C GLU A 68 1.314 -8.330 3.102 1.00 0.00 C ATOM 802 O GLU A 68 0.751 -7.449 3.717 1.00 0.00 O ATOM 803 CB GLU A 68 -0.237 -10.131 2.272 1.00 0.00 C ATOM 804 CG GLU A 68 -1.633 -9.909 1.687 1.00 0.00 C ATOM 805 CD GLU A 68 -2.531 -11.088 2.062 1.00 0.00 C ATOM 806 OE1 GLU A 68 -2.284 -11.691 3.095 1.00 0.00 O ATOM 807 OE2 GLU A 68 -3.451 -11.371 1.312 1.00 0.00 O ATOM 0 H GLU A 68 1.651 -10.620 0.893 1.00 0.00 H new ATOM 0 HA GLU A 68 0.147 -8.213 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.169 -11.079 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.295 -10.195 3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.056 -8.979 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.574 -9.812 0.603 1.00 0.00 H new ATOM 814 N ALA A 69 2.486 -8.773 3.471 1.00 0.00 N ATOM 815 CA ALA A 69 3.161 -8.207 4.672 1.00 0.00 C ATOM 816 C ALA A 69 2.988 -6.688 4.749 1.00 0.00 C ATOM 817 O ALA A 69 2.155 -6.183 5.480 1.00 0.00 O ATOM 818 CB ALA A 69 4.631 -8.584 4.511 1.00 0.00 C ATOM 0 H ALA A 69 3.006 -9.506 2.989 1.00 0.00 H new ATOM 0 HA ALA A 69 2.735 -8.599 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.200 -8.202 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.726 -9.669 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.019 -8.150 3.589 1.00 0.00 H new ATOM 824 N LYS A 70 3.763 -5.953 4.006 1.00 0.00 N ATOM 825 CA LYS A 70 3.642 -4.474 4.050 1.00 0.00 C ATOM 826 C LYS A 70 2.513 -4.007 3.132 1.00 0.00 C ATOM 827 O LYS A 70 1.753 -3.123 3.471 1.00 0.00 O ATOM 828 CB LYS A 70 5.000 -3.967 3.564 1.00 0.00 C ATOM 829 CG LYS A 70 6.107 -4.683 4.347 1.00 0.00 C ATOM 830 CD LYS A 70 7.460 -4.452 3.668 1.00 0.00 C ATOM 831 CE LYS A 70 8.514 -5.358 4.311 1.00 0.00 C ATOM 832 NZ LYS A 70 8.841 -4.721 5.617 1.00 0.00 N ATOM 0 H LYS A 70 4.475 -6.313 3.370 1.00 0.00 H new ATOM 0 HA LYS A 70 3.400 -4.098 5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.112 -4.154 2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.073 -2.889 3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.137 -4.313 5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.895 -5.751 4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.385 -4.664 2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.754 -3.407 3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.130 -6.368 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.400 -5.439 3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.777 -5.043 5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.850 -3.687 5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.125 -4.988 6.322 1.00 0.00 H new ATOM 846 N ALA A 71 2.395 -4.589 1.971 1.00 0.00 N ATOM 847 CA ALA A 71 1.307 -4.159 1.043 1.00 0.00 C ATOM 848 C ALA A 71 -0.059 -4.241 1.732 1.00 0.00 C ATOM 849 O ALA A 71 -0.772 -3.261 1.824 1.00 0.00 O ATOM 850 CB ALA A 71 1.368 -5.131 -0.131 1.00 0.00 C ATOM 0 H ALA A 71 2.997 -5.336 1.625 1.00 0.00 H new ATOM 0 HA ALA A 71 1.437 -3.125 0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.595 -4.876 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.347 -5.066 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.206 -6.147 0.229 1.00 0.00 H new ATOM 856 N ASP A 72 -0.440 -5.398 2.207 1.00 0.00 N ATOM 857 CA ASP A 72 -1.771 -5.520 2.873 1.00 0.00 C ATOM 858 C ASP A 72 -1.866 -4.552 4.059 1.00 0.00 C ATOM 859 O ASP A 72 -2.851 -3.861 4.227 1.00 0.00 O ATOM 860 CB ASP A 72 -1.882 -6.998 3.309 1.00 0.00 C ATOM 861 CG ASP A 72 -1.748 -7.150 4.832 1.00 0.00 C ATOM 862 OD1 ASP A 72 -2.519 -6.524 5.542 1.00 0.00 O ATOM 863 OD2 ASP A 72 -0.885 -7.897 5.262 1.00 0.00 O ATOM 0 H ASP A 72 0.108 -6.257 2.163 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.595 -5.255 2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.841 -7.402 2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.106 -7.583 2.815 1.00 0.00 H new ATOM 868 N LYS A 73 -0.859 -4.495 4.886 1.00 0.00 N ATOM 869 CA LYS A 73 -0.922 -3.567 6.048 1.00 0.00 C ATOM 870 C LYS A 73 -1.288 -2.154 5.578 1.00 0.00 C ATOM 871 O LYS A 73 -1.791 -1.348 6.335 1.00 0.00 O ATOM 872 CB LYS A 73 0.481 -3.587 6.653 1.00 0.00 C ATOM 873 CG LYS A 73 0.554 -2.576 7.798 1.00 0.00 C ATOM 874 CD LYS A 73 0.120 -3.246 9.103 1.00 0.00 C ATOM 875 CE LYS A 73 -1.087 -2.504 9.681 1.00 0.00 C ATOM 876 NZ LYS A 73 -1.763 -3.496 10.563 1.00 0.00 N ATOM 0 H LYS A 73 -0.004 -5.045 4.809 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.679 -3.866 6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.717 -4.586 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.221 -3.344 5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.570 -2.193 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.089 -1.722 7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.135 -4.290 8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.942 -3.238 9.819 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.777 -1.623 10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.754 -2.159 8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.602 -3.060 10.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.053 -4.321 10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.106 -3.801 11.310 1.00 0.00 H new ATOM 890 N ILE A 74 -1.034 -1.845 4.333 1.00 0.00 N ATOM 891 CA ILE A 74 -1.361 -0.480 3.828 1.00 0.00 C ATOM 892 C ILE A 74 -2.821 -0.413 3.348 1.00 0.00 C ATOM 893 O ILE A 74 -3.583 0.427 3.782 1.00 0.00 O ATOM 894 CB ILE A 74 -0.352 -0.229 2.687 1.00 0.00 C ATOM 895 CG1 ILE A 74 0.341 1.116 2.922 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.040 -0.206 1.314 1.00 0.00 C ATOM 897 CD1 ILE A 74 -0.708 2.184 3.243 1.00 0.00 C ATOM 0 H ILE A 74 -0.617 -2.475 3.648 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.279 0.287 4.599 1.00 0.00 H new ATOM 0 HB ILE A 74 0.372 -1.044 2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.052 1.032 3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.909 1.404 2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.296 -0.027 0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.528 -1.164 1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.785 0.590 1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.214 3.141 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.402 2.275 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.256 1.897 4.140 1.00 0.00 H new ATOM 909 N LEU A 75 -3.216 -1.284 2.459 1.00 0.00 N ATOM 910 CA LEU A 75 -4.625 -1.246 1.969 1.00 0.00 C ATOM 911 C LEU A 75 -5.584 -1.479 3.138 1.00 0.00 C ATOM 912 O LEU A 75 -6.764 -1.200 3.052 1.00 0.00 O ATOM 913 CB LEU A 75 -4.731 -2.375 0.940 1.00 0.00 C ATOM 914 CG LEU A 75 -4.641 -3.730 1.643 1.00 0.00 C ATOM 915 CD1 LEU A 75 -6.004 -4.098 2.233 1.00 0.00 C ATOM 916 CD2 LEU A 75 -4.223 -4.796 0.629 1.00 0.00 C ATOM 0 H LEU A 75 -2.631 -2.014 2.054 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.886 -0.284 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.674 -2.298 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.933 -2.284 0.204 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.905 -3.674 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.935 -5.064 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.306 -3.338 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.743 -4.155 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.157 -5.764 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.962 -4.847 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.251 -4.537 0.209 1.00 0.00 H new ATOM 928 N ALA A 76 -5.083 -1.985 4.231 1.00 0.00 N ATOM 929 CA ALA A 76 -5.959 -2.233 5.410 1.00 0.00 C ATOM 930 C ALA A 76 -6.173 -0.930 6.184 1.00 0.00 C ATOM 931 O ALA A 76 -7.290 -0.534 6.454 1.00 0.00 O ATOM 932 CB ALA A 76 -5.196 -3.246 6.263 1.00 0.00 C ATOM 0 H ALA A 76 -4.103 -2.238 4.358 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.945 -2.602 5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.777 -3.482 7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.031 -4.156 5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.235 -2.823 6.557 1.00 0.00 H new ATOM 938 N GLU A 77 -5.112 -0.258 6.539 1.00 0.00 N ATOM 939 CA GLU A 77 -5.259 1.022 7.291 1.00 0.00 C ATOM 940 C GLU A 77 -5.854 2.100 6.381 1.00 0.00 C ATOM 941 O GLU A 77 -6.642 2.921 6.806 1.00 0.00 O ATOM 942 CB GLU A 77 -3.840 1.399 7.716 1.00 0.00 C ATOM 943 CG GLU A 77 -3.457 0.614 8.970 1.00 0.00 C ATOM 944 CD GLU A 77 -4.417 0.971 10.106 1.00 0.00 C ATOM 945 OE1 GLU A 77 -5.080 1.988 9.996 1.00 0.00 O ATOM 946 OE2 GLU A 77 -4.472 0.221 11.066 1.00 0.00 O ATOM 0 H GLU A 77 -4.151 -0.539 6.342 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.926 0.925 8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.138 1.183 6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.780 2.470 7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.497 -0.456 8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.432 0.846 9.259 1.00 0.00 H new ATOM 953 N ALA A 78 -5.484 2.100 5.128 1.00 0.00 N ATOM 954 CA ALA A 78 -6.028 3.121 4.188 1.00 0.00 C ATOM 955 C ALA A 78 -7.555 3.028 4.131 1.00 0.00 C ATOM 956 O ALA A 78 -8.253 4.010 4.290 1.00 0.00 O ATOM 957 CB ALA A 78 -5.420 2.771 2.828 1.00 0.00 C ATOM 0 H ALA A 78 -4.828 1.437 4.715 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.783 4.137 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.773 3.479 2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.333 2.822 2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.720 1.762 2.544 1.00 0.00 H new ATOM 963 N ALA A 79 -8.083 1.854 3.904 1.00 0.00 N ATOM 964 CA ALA A 79 -9.565 1.704 3.837 1.00 0.00 C ATOM 965 C ALA A 79 -10.196 2.042 5.191 1.00 0.00 C ATOM 966 O ALA A 79 -11.345 2.426 5.270 1.00 0.00 O ATOM 967 CB ALA A 79 -9.801 0.234 3.487 1.00 0.00 C ATOM 0 H ALA A 79 -7.552 0.994 3.762 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.013 2.374 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.872 0.044 3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.331 0.008 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.368 -0.399 4.262 1.00 0.00 H new ATOM 973 N LYS A 80 -9.453 1.904 6.255 1.00 0.00 N ATOM 974 CA LYS A 80 -10.014 2.221 7.600 1.00 0.00 C ATOM 975 C LYS A 80 -9.867 3.717 7.896 1.00 0.00 C ATOM 976 O LYS A 80 -10.519 4.254 8.769 1.00 0.00 O ATOM 977 CB LYS A 80 -9.181 1.396 8.582 1.00 0.00 C ATOM 978 CG LYS A 80 -9.929 0.107 8.931 1.00 0.00 C ATOM 979 CD LYS A 80 -10.368 -0.593 7.642 1.00 0.00 C ATOM 980 CE LYS A 80 -10.113 -2.097 7.764 1.00 0.00 C ATOM 981 NZ LYS A 80 -11.096 -2.573 8.778 1.00 0.00 N ATOM 0 H LYS A 80 -8.484 1.586 6.252 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.076 1.987 7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.212 1.159 8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.989 1.973 9.486 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.287 -0.552 9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.798 0.334 9.548 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.426 -0.407 7.457 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.820 -0.188 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.257 -2.601 6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.090 -2.300 8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.176 -3.609 8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.774 -2.299 9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.024 -2.144 8.590 1.00 0.00 H new ATOM 995 N LEU A 81 -9.014 4.392 7.175 1.00 0.00 N ATOM 996 CA LEU A 81 -8.827 5.852 7.413 1.00 0.00 C ATOM 997 C LEU A 81 -9.281 6.646 6.185 1.00 0.00 C ATOM 998 O LEU A 81 -10.262 7.361 6.224 1.00 0.00 O ATOM 999 CB LEU A 81 -7.324 6.026 7.640 1.00 0.00 C ATOM 1000 CG LEU A 81 -6.877 5.125 8.792 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -5.351 5.008 8.789 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -7.337 5.731 10.120 1.00 0.00 C ATOM 0 H LEU A 81 -8.439 3.996 6.432 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.411 6.213 8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.776 5.773 6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.098 7.067 7.869 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.317 4.135 8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.034 4.366 9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.021 4.578 7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.910 5.997 8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.019 5.090 10.942 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.896 6.721 10.240 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.424 5.815 10.125 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.574 6.526 5.095 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.963 7.273 3.865 1.00 0.00 C ATOM 1016 C VAL A 82 -9.461 6.300 2.792 1.00 0.00 C ATOM 1017 O VAL A 82 -8.721 5.923 1.904 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.684 7.969 3.408 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -7.978 8.810 2.165 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -7.171 8.875 4.529 1.00 0.00 C ATOM 0 H VAL A 82 -7.743 5.942 5.003 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.770 7.983 4.047 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.927 7.222 3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.065 9.307 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.345 8.164 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.734 9.559 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.257 9.373 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.927 9.623 4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.962 8.275 5.415 1.00 0.00 H new