USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 738 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 79 LYS NZ :NH3+ -111:sc= -0.331 (180deg=0) USER MOD Set 1.2: A 80 THR OG1 : rot 180:sc= 0.0572 USER MOD Set 1.3: A 81 HIS : no HE2:sc= 0.537 K(o=0.26,f=-6.1!) USER MOD Set 2.1: A 57 THR OG1 : rot -25:sc= 0.487 USER MOD Set 2.2: A 94 THR OG1 : rot 76:sc= 0.522 USER MOD Single : A 15 MET CE :methyl -166:sc= -0.804 (180deg=-1.83) USER MOD Single : A 20 ASN : amide:sc= -0.0829 K(o=-0.083,f=-0.82) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 27 ASN : amide:sc= -0.741 K(o=-0.74,f=-0.083) USER MOD Single : A 28 SER OG : rot 180:sc= 0.152 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.018) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -32:sc= 1.22 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.59) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.351 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= 1.3 (180deg=1.08) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -50:sc= 0.0602 USER MOD Single : A 83 MET CE :methyl -145:sc= -4.44! (180deg=-8.37!) USER MOD Single : A 91 SER OG : rot 16:sc= 0.604 USER MOD Single : A 92 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.037) USER MOD Single : A 93 TYR OH : rot -168:sc= 1.63 USER MOD Single : A 96 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.2) USER MOD Single : A 101 ASN : amide:sc= 1.65 K(o=1.6,f=-11!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 100:sc= 0.69 USER MOD Single : A 115 ASN : amide:sc= 0.0427 K(o=0.043,f=-2.4!) USER MOD Single : A 116 THR OG1 : rot -85:sc= 1.9 USER MOD ----------------------------------------------------------------- ATOM 128 N LEU A 13 5.624 -17.285 8.588 1.00 0.00 N ATOM 129 CA LEU A 13 5.303 -16.503 7.398 1.00 0.00 C ATOM 130 C LEU A 13 3.845 -16.706 6.960 1.00 0.00 C ATOM 131 O LEU A 13 3.289 -17.798 7.129 1.00 0.00 O ATOM 132 CB LEU A 13 6.249 -16.822 6.221 1.00 0.00 C ATOM 133 CG LEU A 13 7.611 -16.104 6.256 1.00 0.00 C ATOM 134 CD1 LEU A 13 8.436 -16.525 5.040 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.493 -14.570 6.252 1.00 0.00 C ATOM 0 HA LEU A 13 5.442 -15.458 7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.425 -17.898 6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.744 -16.563 5.290 1.00 0.00 H new ATOM 0 HG LEU A 13 8.091 -16.395 7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.401 -16.018 5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.592 -17.604 5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.904 -16.254 4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.489 -14.128 6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.976 -14.247 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.930 -14.246 7.127 1.00 0.00 H new ATOM 147 N PRO A 14 3.236 -15.664 6.362 1.00 0.00 N ATOM 148 CA PRO A 14 1.834 -15.660 5.964 1.00 0.00 C ATOM 149 C PRO A 14 1.595 -16.393 4.626 1.00 0.00 C ATOM 150 O PRO A 14 2.548 -16.739 3.916 1.00 0.00 O ATOM 151 CB PRO A 14 1.476 -14.174 5.850 1.00 0.00 C ATOM 152 CG PRO A 14 2.770 -13.580 5.335 1.00 0.00 C ATOM 153 CD PRO A 14 3.840 -14.371 6.062 1.00 0.00 C ATOM 0 HA PRO A 14 1.214 -16.192 6.686 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.647 -14.005 5.163 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.185 -13.749 6.811 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.858 -13.687 4.254 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.838 -12.515 5.557 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.730 -14.488 5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.151 -13.863 6.975 1.00 0.00 H new ATOM 161 N MET A 15 0.322 -16.624 4.273 1.00 0.00 N ATOM 162 CA MET A 15 -0.095 -17.611 3.268 1.00 0.00 C ATOM 163 C MET A 15 -1.110 -17.146 2.213 1.00 0.00 C ATOM 164 O MET A 15 -1.103 -17.708 1.118 1.00 0.00 O ATOM 165 CB MET A 15 -0.771 -18.770 4.013 1.00 0.00 C ATOM 166 CG MET A 15 0.177 -19.552 4.923 1.00 0.00 C ATOM 167 SD MET A 15 -0.582 -21.030 5.653 1.00 0.00 S ATOM 168 CE MET A 15 -1.994 -20.252 6.468 1.00 0.00 C ATOM 0 H MET A 15 -0.462 -16.119 4.687 1.00 0.00 H new ATOM 0 HA MET A 15 0.819 -17.856 2.728 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.592 -18.376 4.612 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.207 -19.453 3.284 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.056 -19.849 4.351 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.523 -18.898 5.723 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.440 -20.954 7.172 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.661 -19.363 7.004 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.735 -19.968 5.720 1.00 0.00 H new ATOM 178 N VAL A 16 -2.033 -16.220 2.501 1.00 0.00 N ATOM 179 CA VAL A 16 -2.943 -15.665 1.486 1.00 0.00 C ATOM 180 C VAL A 16 -3.107 -14.160 1.704 1.00 0.00 C ATOM 181 O VAL A 16 -3.013 -13.682 2.837 1.00 0.00 O ATOM 182 CB VAL A 16 -4.307 -16.399 1.416 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.154 -17.900 1.118 1.00 0.00 C ATOM 184 CG2 VAL A 16 -5.209 -16.296 2.650 1.00 0.00 C ATOM 0 H VAL A 16 -2.171 -15.836 3.436 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.486 -15.831 0.510 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.791 -15.859 0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.139 -18.366 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.653 -18.031 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.561 -18.368 1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.131 -16.851 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.693 -16.714 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.446 -15.249 2.841 1.00 0.00 H new ATOM 194 N ALA A 17 -3.288 -13.404 0.624 1.00 0.00 N ATOM 195 CA ALA A 17 -3.567 -11.978 0.644 1.00 0.00 C ATOM 196 C ALA A 17 -5.084 -11.742 0.769 1.00 0.00 C ATOM 197 O ALA A 17 -5.864 -12.702 0.706 1.00 0.00 O ATOM 198 CB ALA A 17 -2.953 -11.324 -0.604 1.00 0.00 C ATOM 0 H ALA A 17 -3.242 -13.785 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.108 -11.508 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.160 -10.254 -0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.875 -11.485 -0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.388 -11.769 -1.499 1.00 0.00 H new ATOM 204 N PRO A 18 -5.508 -10.489 1.027 1.00 0.00 N ATOM 205 CA PRO A 18 -6.881 -10.201 1.403 1.00 0.00 C ATOM 206 C PRO A 18 -7.830 -10.290 0.204 1.00 0.00 C ATOM 207 O PRO A 18 -7.421 -10.227 -0.962 1.00 0.00 O ATOM 208 CB PRO A 18 -6.848 -8.815 2.049 1.00 0.00 C ATOM 209 CG PRO A 18 -5.600 -8.149 1.505 1.00 0.00 C ATOM 210 CD PRO A 18 -4.674 -9.309 1.188 1.00 0.00 C ATOM 0 HA PRO A 18 -7.274 -10.937 2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.741 -8.243 1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.812 -8.889 3.136 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.818 -7.558 0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.157 -7.473 2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.106 -9.111 0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.951 -9.455 1.990 1.00 0.00 H new ATOM 218 N GLY A 19 -9.122 -10.406 0.509 1.00 0.00 N ATOM 219 CA GLY A 19 -10.174 -10.559 -0.483 1.00 0.00 C ATOM 220 C GLY A 19 -10.530 -9.239 -1.147 1.00 0.00 C ATOM 221 O GLY A 19 -10.162 -8.170 -0.659 1.00 0.00 O ATOM 0 H GLY A 19 -9.468 -10.396 1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.854 -11.272 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.062 -10.976 -0.008 1.00 0.00 H new ATOM 225 N ASN A 20 -11.282 -9.352 -2.249 1.00 0.00 N ATOM 226 CA ASN A 20 -11.465 -8.360 -3.308 1.00 0.00 C ATOM 227 C ASN A 20 -11.383 -6.914 -2.833 1.00 0.00 C ATOM 228 O ASN A 20 -12.301 -6.394 -2.193 1.00 0.00 O ATOM 229 CB ASN A 20 -12.769 -8.594 -4.076 1.00 0.00 C ATOM 230 CG ASN A 20 -12.932 -7.570 -5.190 1.00 0.00 C ATOM 231 OD1 ASN A 20 -13.890 -6.807 -5.236 1.00 0.00 O ATOM 232 ND2 ASN A 20 -11.992 -7.537 -6.111 1.00 0.00 N ATOM 0 H ASN A 20 -11.816 -10.201 -2.434 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.619 -8.508 -3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.773 -9.599 -4.497 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -13.615 -8.532 -3.392 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.054 -6.869 -6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -11.202 -8.180 -6.056 1.00 0.00 H new ATOM 239 N VAL A 21 -10.256 -6.283 -3.136 1.00 0.00 N ATOM 240 CA VAL A 21 -9.991 -4.909 -2.769 1.00 0.00 C ATOM 241 C VAL A 21 -10.904 -4.009 -3.602 1.00 0.00 C ATOM 242 O VAL A 21 -11.157 -4.259 -4.782 1.00 0.00 O ATOM 243 CB VAL A 21 -8.493 -4.630 -2.980 1.00 0.00 C ATOM 244 CG1 VAL A 21 -8.083 -3.216 -2.542 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.667 -5.654 -2.180 1.00 0.00 C ATOM 0 H VAL A 21 -9.493 -6.723 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.208 -4.707 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.300 -4.714 -4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.016 -3.077 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.643 -2.480 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.299 -3.087 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.605 -5.459 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.908 -5.568 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.903 -6.661 -2.525 1.00 0.00 H new ATOM 255 N ARG A 22 -11.382 -2.940 -2.980 1.00 0.00 N ATOM 256 CA ARG A 22 -12.159 -1.863 -3.575 1.00 0.00 C ATOM 257 C ARG A 22 -11.401 -0.575 -3.317 1.00 0.00 C ATOM 258 O ARG A 22 -10.556 -0.519 -2.428 1.00 0.00 O ATOM 259 CB ARG A 22 -13.550 -1.762 -2.930 1.00 0.00 C ATOM 260 CG ARG A 22 -14.294 -3.085 -2.734 1.00 0.00 C ATOM 261 CD ARG A 22 -14.417 -3.925 -4.011 1.00 0.00 C ATOM 262 NE ARG A 22 -15.706 -4.628 -4.065 1.00 0.00 N ATOM 263 CZ ARG A 22 -16.873 -4.105 -4.450 1.00 0.00 C ATOM 264 NH1 ARG A 22 -16.957 -2.855 -4.899 1.00 0.00 N ATOM 265 NH2 ARG A 22 -17.977 -4.826 -4.353 1.00 0.00 N ATOM 0 H ARG A 22 -11.227 -2.793 -1.983 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.296 -2.050 -4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.444 -1.280 -1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.168 -1.108 -3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.778 -3.671 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.293 -2.875 -2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.315 -3.281 -4.884 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.603 -4.649 -4.052 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.710 -5.608 -3.782 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.119 -2.276 -4.954 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.859 -2.476 -5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.935 -5.777 -3.986 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.871 -4.432 -4.646 1.00 0.00 H new ATOM 279 N VAL A 23 -11.677 0.467 -4.080 1.00 0.00 N ATOM 280 CA VAL A 23 -11.218 1.810 -3.783 1.00 0.00 C ATOM 281 C VAL A 23 -12.265 2.811 -4.262 1.00 0.00 C ATOM 282 O VAL A 23 -12.914 2.577 -5.284 1.00 0.00 O ATOM 283 CB VAL A 23 -9.771 1.987 -4.300 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.409 1.062 -5.461 1.00 0.00 C ATOM 285 CG2 VAL A 23 -9.265 3.416 -4.487 1.00 0.00 C ATOM 0 H VAL A 23 -12.233 0.403 -4.933 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.134 2.005 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.194 1.648 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.379 1.247 -5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.513 0.024 -5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.076 1.254 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.239 3.394 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.896 3.934 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.298 3.942 -3.533 1.00 0.00 H new ATOM 295 N ASN A 24 -12.420 3.914 -3.540 1.00 0.00 N ATOM 296 CA ASN A 24 -13.244 5.063 -3.890 1.00 0.00 C ATOM 297 C ASN A 24 -12.363 6.304 -3.894 1.00 0.00 C ATOM 298 O ASN A 24 -11.670 6.577 -2.915 1.00 0.00 O ATOM 299 CB ASN A 24 -14.386 5.248 -2.883 1.00 0.00 C ATOM 300 CG ASN A 24 -15.040 6.611 -3.075 1.00 0.00 C ATOM 301 OD1 ASN A 24 -15.407 6.960 -4.191 1.00 0.00 O ATOM 302 ND2 ASN A 24 -15.215 7.393 -2.025 1.00 0.00 N ATOM 0 H ASN A 24 -11.947 4.037 -2.645 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.684 4.901 -4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -15.127 4.459 -3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -14.002 5.160 -1.867 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.662 8.303 -2.136 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.903 7.087 -1.103 1.00 0.00 H new ATOM 309 N VAL A 25 -12.393 7.077 -4.971 1.00 0.00 N ATOM 310 CA VAL A 25 -11.747 8.379 -5.000 1.00 0.00 C ATOM 311 C VAL A 25 -12.658 9.359 -4.266 1.00 0.00 C ATOM 312 O VAL A 25 -13.692 9.781 -4.789 1.00 0.00 O ATOM 313 CB VAL A 25 -11.410 8.785 -6.442 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.812 10.191 -6.478 1.00 0.00 C ATOM 315 CG2 VAL A 25 -10.365 7.799 -6.978 1.00 0.00 C ATOM 0 H VAL A 25 -12.861 6.821 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.785 8.366 -4.487 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.318 8.772 -7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.580 10.461 -7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.530 10.902 -6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.899 10.214 -5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.107 8.064 -8.003 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.471 7.842 -6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.773 6.789 -6.957 1.00 0.00 H new ATOM 325 N VAL A 26 -12.289 9.688 -3.031 1.00 0.00 N ATOM 326 CA VAL A 26 -13.037 10.606 -2.191 1.00 0.00 C ATOM 327 C VAL A 26 -12.970 12.010 -2.777 1.00 0.00 C ATOM 328 O VAL A 26 -13.999 12.684 -2.894 1.00 0.00 O ATOM 329 CB VAL A 26 -12.492 10.574 -0.750 1.00 0.00 C ATOM 330 CG1 VAL A 26 -13.256 11.518 0.181 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.533 9.146 -0.177 1.00 0.00 C ATOM 0 H VAL A 26 -11.451 9.317 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.082 10.298 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.458 10.915 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.834 11.459 1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.172 12.540 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.306 11.228 0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.143 9.151 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.562 8.786 -0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.923 8.488 -0.796 1.00 0.00 H new ATOM 341 N ASN A 27 -11.764 12.451 -3.127 1.00 0.00 N ATOM 342 CA ASN A 27 -11.469 13.789 -3.600 1.00 0.00 C ATOM 343 C ASN A 27 -10.397 13.682 -4.679 1.00 0.00 C ATOM 344 O ASN A 27 -9.886 12.609 -4.978 1.00 0.00 O ATOM 345 CB ASN A 27 -10.929 14.665 -2.467 1.00 0.00 C ATOM 346 CG ASN A 27 -11.774 14.728 -1.215 1.00 0.00 C ATOM 347 OD1 ASN A 27 -12.948 15.092 -1.233 1.00 0.00 O ATOM 348 ND2 ASN A 27 -11.145 14.443 -0.098 1.00 0.00 N ATOM 0 H ASN A 27 -10.936 11.857 -3.085 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.383 14.241 -3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.938 14.301 -2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.803 15.679 -2.847 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.631 14.521 0.795 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.170 14.144 -0.124 1.00 0.00 H new ATOM 355 N SER A 28 -9.965 14.812 -5.213 1.00 0.00 N ATOM 356 CA SER A 28 -8.936 14.844 -6.245 1.00 0.00 C ATOM 357 C SER A 28 -7.601 14.289 -5.740 1.00 0.00 C ATOM 358 O SER A 28 -6.927 13.576 -6.478 1.00 0.00 O ATOM 359 CB SER A 28 -8.760 16.267 -6.780 1.00 0.00 C ATOM 360 OG SER A 28 -9.539 17.209 -6.051 1.00 0.00 O ATOM 0 H SER A 28 -10.315 15.732 -4.946 1.00 0.00 H new ATOM 0 HA SER A 28 -9.268 14.199 -7.059 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.708 16.547 -6.726 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.045 16.297 -7.832 1.00 0.00 H new ATOM 0 HG SER A 28 -9.399 18.106 -6.421 1.00 0.00 H new ATOM 366 N THR A 29 -7.242 14.590 -4.491 1.00 0.00 N ATOM 367 CA THR A 29 -5.939 14.300 -3.894 1.00 0.00 C ATOM 368 C THR A 29 -6.036 13.253 -2.778 1.00 0.00 C ATOM 369 O THR A 29 -5.045 12.997 -2.087 1.00 0.00 O ATOM 370 CB THR A 29 -5.332 15.625 -3.398 1.00 0.00 C ATOM 371 OG1 THR A 29 -6.212 16.292 -2.511 1.00 0.00 O ATOM 372 CG2 THR A 29 -5.106 16.595 -4.556 1.00 0.00 C ATOM 0 H THR A 29 -7.875 15.060 -3.844 1.00 0.00 H new ATOM 0 HA THR A 29 -5.283 13.860 -4.645 1.00 0.00 H new ATOM 0 HB THR A 29 -4.395 15.360 -2.908 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.801 17.129 -2.210 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.677 17.522 -4.176 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.422 16.147 -5.277 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.058 16.809 -5.043 1.00 0.00 H new ATOM 380 N LEU A 30 -7.230 12.673 -2.595 1.00 0.00 N ATOM 381 CA LEU A 30 -7.557 11.704 -1.568 1.00 0.00 C ATOM 382 C LEU A 30 -8.341 10.563 -2.205 1.00 0.00 C ATOM 383 O LEU A 30 -9.332 10.809 -2.896 1.00 0.00 O ATOM 384 CB LEU A 30 -8.389 12.389 -0.465 1.00 0.00 C ATOM 385 CG LEU A 30 -8.472 11.646 0.870 1.00 0.00 C ATOM 386 CD1 LEU A 30 -9.440 10.496 0.860 1.00 0.00 C ATOM 387 CD2 LEU A 30 -7.112 11.198 1.406 1.00 0.00 C ATOM 0 H LEU A 30 -8.027 12.885 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.649 11.305 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.969 13.378 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.402 12.537 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.863 12.393 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.446 10.017 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.440 10.864 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.137 9.772 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.248 10.678 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.641 10.526 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.476 12.070 1.558 1.00 0.00 H new ATOM 399 N ALA A 31 -8.023 9.325 -1.837 1.00 0.00 N ATOM 400 CA ALA A 31 -8.814 8.146 -2.150 1.00 0.00 C ATOM 401 C ALA A 31 -8.886 7.305 -0.879 1.00 0.00 C ATOM 402 O ALA A 31 -8.067 7.472 0.027 1.00 0.00 O ATOM 403 CB ALA A 31 -8.209 7.380 -3.333 1.00 0.00 C ATOM 0 H ALA A 31 -7.184 9.112 -1.298 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.822 8.417 -2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.818 6.502 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.182 8.027 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.196 7.066 -3.083 1.00 0.00 H new ATOM 409 N GLU A 32 -9.848 6.397 -0.809 1.00 0.00 N ATOM 410 CA GLU A 32 -10.064 5.433 0.235 1.00 0.00 C ATOM 411 C GLU A 32 -9.973 4.061 -0.421 1.00 0.00 C ATOM 412 O GLU A 32 -10.622 3.828 -1.435 1.00 0.00 O ATOM 413 CB GLU A 32 -11.460 5.673 0.833 1.00 0.00 C ATOM 414 CG GLU A 32 -11.486 4.945 2.167 1.00 0.00 C ATOM 415 CD GLU A 32 -12.758 5.093 2.999 1.00 0.00 C ATOM 416 OE1 GLU A 32 -13.752 5.722 2.564 1.00 0.00 O ATOM 417 OE2 GLU A 32 -12.736 4.600 4.149 1.00 0.00 O ATOM 0 H GLU A 32 -10.549 6.317 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.333 5.510 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.647 6.738 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.237 5.295 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.322 3.884 1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.645 5.297 2.764 1.00 0.00 H new ATOM 424 N VAL A 33 -9.168 3.154 0.113 1.00 0.00 N ATOM 425 CA VAL A 33 -9.079 1.773 -0.331 1.00 0.00 C ATOM 426 C VAL A 33 -9.777 0.935 0.738 1.00 0.00 C ATOM 427 O VAL A 33 -9.625 1.224 1.929 1.00 0.00 O ATOM 428 CB VAL A 33 -7.603 1.382 -0.519 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.513 -0.027 -1.108 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.844 2.333 -1.463 1.00 0.00 C ATOM 0 H VAL A 33 -8.541 3.366 0.889 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.561 1.612 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.144 1.438 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.466 -0.300 -1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.991 -0.735 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.018 -0.051 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.809 2.005 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.316 2.324 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.869 3.345 -1.058 1.00 0.00 H new ATOM 440 N HIS A 34 -10.508 -0.102 0.327 1.00 0.00 N ATOM 441 CA HIS A 34 -11.203 -1.027 1.231 1.00 0.00 C ATOM 442 C HIS A 34 -10.781 -2.453 0.864 1.00 0.00 C ATOM 443 O HIS A 34 -10.595 -2.734 -0.319 1.00 0.00 O ATOM 444 CB HIS A 34 -12.739 -0.872 1.134 1.00 0.00 C ATOM 445 CG HIS A 34 -13.293 0.497 0.787 1.00 0.00 C ATOM 446 ND1 HIS A 34 -14.337 0.743 -0.078 1.00 0.00 N ATOM 447 CD2 HIS A 34 -12.896 1.705 1.291 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.525 2.073 -0.132 1.00 0.00 C ATOM 449 NE2 HIS A 34 -13.664 2.703 0.681 1.00 0.00 N ATOM 0 H HIS A 34 -10.638 -0.329 -0.659 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.929 -0.802 2.262 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -13.100 -1.578 0.386 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.167 -1.174 2.090 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.125 1.861 2.031 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -15.266 2.565 -0.744 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.585 3.710 0.826 1.00 0.00 H new ATOM 457 N TRP A 35 -10.631 -3.369 1.817 1.00 0.00 N ATOM 458 CA TRP A 35 -10.283 -4.764 1.558 1.00 0.00 C ATOM 459 C TRP A 35 -10.937 -5.652 2.604 1.00 0.00 C ATOM 460 O TRP A 35 -11.320 -5.186 3.675 1.00 0.00 O ATOM 461 CB TRP A 35 -8.757 -4.929 1.544 1.00 0.00 C ATOM 462 CG TRP A 35 -8.001 -4.456 2.751 1.00 0.00 C ATOM 463 CD1 TRP A 35 -7.662 -5.213 3.818 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.489 -3.117 3.038 1.00 0.00 C ATOM 465 NE1 TRP A 35 -6.960 -4.443 4.724 1.00 0.00 N ATOM 466 CE2 TRP A 35 -6.790 -3.151 4.278 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.559 -1.871 2.384 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.140 -2.023 4.804 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.963 -0.719 2.927 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.227 -0.799 4.120 1.00 0.00 C ATOM 0 H TRP A 35 -10.750 -3.159 2.808 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.655 -5.065 0.579 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.534 -5.986 1.399 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.369 -4.399 0.674 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.903 -6.258 3.943 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.609 -4.790 5.617 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -8.083 -1.799 1.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -5.579 -2.096 5.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.072 0.231 2.425 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.730 0.077 4.510 1.00 0.00 H new ATOM 481 N ASP A 36 -11.074 -6.939 2.289 1.00 0.00 N ATOM 482 CA ASP A 36 -11.611 -7.883 3.261 1.00 0.00 C ATOM 483 C ASP A 36 -10.570 -8.087 4.367 1.00 0.00 C ATOM 484 O ASP A 36 -9.382 -8.183 4.050 1.00 0.00 O ATOM 485 CB ASP A 36 -11.905 -9.246 2.633 1.00 0.00 C ATOM 486 CG ASP A 36 -13.154 -9.348 1.767 1.00 0.00 C ATOM 487 OD1 ASP A 36 -13.932 -8.378 1.605 1.00 0.00 O ATOM 488 OD2 ASP A 36 -13.375 -10.453 1.216 1.00 0.00 O ATOM 0 H ASP A 36 -10.826 -7.344 1.386 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.543 -7.472 3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.046 -9.533 2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.987 -9.979 3.435 1.00 0.00 H new ATOM 493 N PRO A 37 -10.983 -8.230 5.636 1.00 0.00 N ATOM 494 CA PRO A 37 -10.092 -8.583 6.729 1.00 0.00 C ATOM 495 C PRO A 37 -9.560 -9.986 6.501 1.00 0.00 C ATOM 496 O PRO A 37 -10.344 -10.943 6.560 1.00 0.00 O ATOM 497 CB PRO A 37 -10.938 -8.540 7.998 1.00 0.00 C ATOM 498 CG PRO A 37 -12.390 -8.606 7.527 1.00 0.00 C ATOM 499 CD PRO A 37 -12.359 -8.131 6.084 1.00 0.00 C ATOM 0 HA PRO A 37 -9.243 -7.904 6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.701 -9.376 8.656 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.750 -7.627 8.563 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.783 -9.620 7.600 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.032 -7.971 8.138 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.012 -8.743 5.462 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.717 -7.104 6.008 1.00 0.00 H new ATOM 507 N VAL A 38 -8.257 -10.127 6.246 1.00 0.00 N ATOM 508 CA VAL A 38 -7.750 -11.458 5.969 1.00 0.00 C ATOM 509 C VAL A 38 -7.746 -12.275 7.273 1.00 0.00 C ATOM 510 O VAL A 38 -7.633 -11.732 8.374 1.00 0.00 O ATOM 511 CB VAL A 38 -6.421 -11.346 5.222 1.00 0.00 C ATOM 512 CG1 VAL A 38 -5.253 -10.969 6.117 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.949 -12.207 4.058 1.00 0.00 C ATOM 0 H VAL A 38 -7.570 -9.374 6.227 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.392 -12.023 5.293 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.842 -10.562 4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.343 -10.908 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.448 -10.003 6.582 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.129 -11.726 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.958 -11.881 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.905 -13.250 4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.646 -12.107 3.226 1.00 0.00 H new ATOM 523 N PRO A 39 -7.932 -13.582 7.171 1.00 0.00 N ATOM 524 CA PRO A 39 -8.161 -14.487 8.274 1.00 0.00 C ATOM 525 C PRO A 39 -6.870 -14.630 9.069 1.00 0.00 C ATOM 526 O PRO A 39 -5.812 -14.827 8.464 1.00 0.00 O ATOM 527 CB PRO A 39 -8.587 -15.785 7.580 1.00 0.00 C ATOM 528 CG PRO A 39 -8.025 -15.716 6.152 1.00 0.00 C ATOM 529 CD PRO A 39 -8.006 -14.212 5.892 1.00 0.00 C ATOM 0 HA PRO A 39 -8.914 -14.162 8.992 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.198 -16.655 8.109 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.673 -15.880 7.566 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.030 -16.155 6.083 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.657 -16.246 5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.152 -13.936 5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.902 -13.899 5.356 1.00 0.00 H new ATOM 537 N LEU A 40 -6.935 -14.627 10.406 1.00 0.00 N ATOM 538 CA LEU A 40 -5.751 -14.770 11.263 1.00 0.00 C ATOM 539 C LEU A 40 -4.969 -16.047 10.953 1.00 0.00 C ATOM 540 O LEU A 40 -3.746 -16.072 11.097 1.00 0.00 O ATOM 541 CB LEU A 40 -6.103 -14.743 12.759 1.00 0.00 C ATOM 542 CG LEU A 40 -6.283 -13.322 13.328 1.00 0.00 C ATOM 543 CD1 LEU A 40 -7.762 -12.925 13.384 1.00 0.00 C ATOM 544 CD2 LEU A 40 -5.672 -13.234 14.727 1.00 0.00 C ATOM 0 H LEU A 40 -7.808 -14.526 10.924 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.124 -13.907 11.039 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.022 -15.307 12.917 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.317 -15.251 13.317 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.769 -12.629 12.662 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.853 -11.918 13.790 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.184 -12.951 12.379 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.302 -13.624 14.023 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.805 -12.226 15.119 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.167 -13.948 15.386 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.608 -13.466 14.675 1.00 0.00 H new ATOM 556 N LYS A 41 -5.654 -17.088 10.471 1.00 0.00 N ATOM 557 CA LYS A 41 -5.008 -18.312 10.018 1.00 0.00 C ATOM 558 C LYS A 41 -3.996 -18.034 8.911 1.00 0.00 C ATOM 559 O LYS A 41 -2.909 -18.595 8.940 1.00 0.00 O ATOM 560 CB LYS A 41 -6.058 -19.348 9.569 1.00 0.00 C ATOM 561 CG LYS A 41 -5.623 -20.771 9.945 1.00 0.00 C ATOM 562 CD LYS A 41 -5.849 -21.011 11.445 1.00 0.00 C ATOM 563 CE LYS A 41 -5.035 -22.199 11.959 1.00 0.00 C ATOM 564 NZ LYS A 41 -5.039 -22.217 13.433 1.00 0.00 N ATOM 0 H LYS A 41 -6.670 -17.101 10.386 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.458 -18.731 10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.018 -19.123 10.034 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.202 -19.281 8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.188 -21.499 9.363 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.571 -20.915 9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.575 -20.115 12.002 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.908 -21.189 11.629 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.453 -23.130 11.575 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.011 -22.134 11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.483 -23.028 13.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.620 -21.336 13.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.017 -22.300 13.777 1.00 0.00 H new ATOM 578 N SER A 42 -4.332 -17.170 7.949 1.00 0.00 N ATOM 579 CA SER A 42 -3.436 -16.844 6.847 1.00 0.00 C ATOM 580 C SER A 42 -2.218 -16.057 7.315 1.00 0.00 C ATOM 581 O SER A 42 -1.173 -16.162 6.681 1.00 0.00 O ATOM 582 CB SER A 42 -4.176 -16.083 5.751 1.00 0.00 C ATOM 583 OG SER A 42 -4.585 -14.786 6.135 1.00 0.00 O ATOM 0 H SER A 42 -5.227 -16.682 7.916 1.00 0.00 H new ATOM 0 HA SER A 42 -3.078 -17.788 6.436 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.531 -16.006 4.876 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.053 -16.657 5.452 1.00 0.00 H new ATOM 0 HG SER A 42 -4.787 -14.777 7.094 1.00 0.00 H new ATOM 589 N ILE A 43 -2.354 -15.283 8.398 1.00 0.00 N ATOM 590 CA ILE A 43 -1.281 -14.487 8.976 1.00 0.00 C ATOM 591 C ILE A 43 -0.228 -15.434 9.541 1.00 0.00 C ATOM 592 O ILE A 43 0.952 -15.150 9.385 1.00 0.00 O ATOM 593 CB ILE A 43 -1.825 -13.545 10.076 1.00 0.00 C ATOM 594 CG1 ILE A 43 -2.984 -12.680 9.532 1.00 0.00 C ATOM 595 CG2 ILE A 43 -0.727 -12.659 10.695 1.00 0.00 C ATOM 596 CD1 ILE A 43 -3.548 -11.719 10.576 1.00 0.00 C ATOM 0 H ILE A 43 -3.236 -15.195 8.903 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.833 -13.858 8.206 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.205 -14.181 10.876 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.632 -12.109 8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.782 -13.332 9.177 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.165 -12.018 11.461 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.039 -13.290 11.145 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.277 -12.041 9.918 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.359 -11.138 10.136 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.928 -12.287 11.425 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.761 -11.045 10.913 1.00 0.00 H new ATOM 608 N ARG A 44 -0.638 -16.535 10.187 1.00 0.00 N ATOM 609 CA ARG A 44 0.202 -17.458 10.958 1.00 0.00 C ATOM 610 C ARG A 44 0.804 -16.799 12.188 1.00 0.00 C ATOM 611 O ARG A 44 0.407 -17.109 13.313 1.00 0.00 O ATOM 612 CB ARG A 44 1.241 -18.168 10.097 1.00 0.00 C ATOM 613 CG ARG A 44 0.542 -18.979 9.009 1.00 0.00 C ATOM 614 CD ARG A 44 1.373 -20.199 8.667 1.00 0.00 C ATOM 615 NE ARG A 44 1.259 -21.262 9.675 1.00 0.00 N ATOM 616 CZ ARG A 44 0.400 -22.286 9.678 1.00 0.00 C ATOM 617 NH1 ARG A 44 -0.449 -22.463 8.668 1.00 0.00 N ATOM 618 NH2 ARG A 44 0.406 -23.114 10.710 1.00 0.00 N ATOM 0 H ARG A 44 -1.618 -16.819 10.184 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.460 -18.241 11.326 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.913 -17.438 9.645 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.853 -18.824 10.716 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.447 -19.285 9.349 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.398 -18.365 8.120 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.059 -20.587 7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.418 -19.906 8.570 1.00 0.00 H new ATOM 0 HE ARG A 44 1.908 -21.213 10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.448 -21.814 7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.100 -23.248 8.681 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.057 -22.964 11.481 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.240 -23.903 10.735 1.00 0.00 H new ATOM 632 N GLY A 45 1.741 -15.898 11.962 1.00 0.00 N ATOM 633 CA GLY A 45 2.332 -14.997 12.936 1.00 0.00 C ATOM 634 C GLY A 45 1.299 -14.023 13.510 1.00 0.00 C ATOM 635 O GLY A 45 0.086 -14.172 13.317 1.00 0.00 O ATOM 0 H GLY A 45 2.137 -15.767 11.031 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.774 -15.577 13.746 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.140 -14.435 12.468 1.00 0.00 H new ATOM 639 N HIS A 46 1.778 -13.024 14.250 1.00 0.00 N ATOM 640 CA HIS A 46 0.957 -11.935 14.771 1.00 0.00 C ATOM 641 C HIS A 46 0.731 -10.892 13.684 1.00 0.00 C ATOM 642 O HIS A 46 1.673 -10.545 12.967 1.00 0.00 O ATOM 643 CB HIS A 46 1.675 -11.296 15.964 1.00 0.00 C ATOM 644 CG HIS A 46 0.750 -10.629 16.942 1.00 0.00 C ATOM 645 ND1 HIS A 46 -0.055 -11.277 17.851 1.00 0.00 N ATOM 646 CD2 HIS A 46 0.623 -9.284 17.148 1.00 0.00 C ATOM 647 CE1 HIS A 46 -0.653 -10.340 18.603 1.00 0.00 C ATOM 648 NE2 HIS A 46 -0.255 -9.110 18.227 1.00 0.00 N ATOM 0 H HIS A 46 2.762 -12.949 14.508 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.010 -12.325 15.090 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.248 -12.063 16.485 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.390 -10.561 15.595 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.109 -8.501 16.585 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.355 -10.544 19.398 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.537 -8.224 18.646 1.00 0.00 H new ATOM 656 N LEU A 47 -0.495 -10.371 13.596 1.00 0.00 N ATOM 657 CA LEU A 47 -0.866 -9.289 12.690 1.00 0.00 C ATOM 658 C LEU A 47 -0.039 -8.055 13.035 1.00 0.00 C ATOM 659 O LEU A 47 -0.032 -7.634 14.191 1.00 0.00 O ATOM 660 CB LEU A 47 -2.372 -9.003 12.843 1.00 0.00 C ATOM 661 CG LEU A 47 -2.990 -7.940 11.900 1.00 0.00 C ATOM 662 CD1 LEU A 47 -2.927 -6.514 12.450 1.00 0.00 C ATOM 663 CD2 LEU A 47 -2.499 -7.972 10.446 1.00 0.00 C ATOM 0 H LEU A 47 -1.273 -10.700 14.167 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.668 -9.566 11.655 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.910 -9.939 12.696 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.554 -8.689 13.871 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.035 -8.250 11.871 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.379 -5.828 11.734 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.470 -6.464 13.393 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.887 -6.233 12.615 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.996 -7.187 9.877 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.421 -7.811 10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.730 -8.942 10.005 1.00 0.00 H new ATOM 675 N GLN A 48 0.630 -7.469 12.044 1.00 0.00 N ATOM 676 CA GLN A 48 1.338 -6.195 12.183 1.00 0.00 C ATOM 677 C GLN A 48 0.513 -5.020 11.652 1.00 0.00 C ATOM 678 O GLN A 48 0.706 -3.876 12.074 1.00 0.00 O ATOM 679 CB GLN A 48 2.653 -6.286 11.404 1.00 0.00 C ATOM 680 CG GLN A 48 3.721 -7.106 12.128 1.00 0.00 C ATOM 681 CD GLN A 48 4.241 -6.470 13.411 1.00 0.00 C ATOM 682 OE1 GLN A 48 3.950 -5.329 13.760 1.00 0.00 O ATOM 683 NE2 GLN A 48 5.020 -7.224 14.167 1.00 0.00 N ATOM 0 H GLN A 48 0.697 -7.870 11.109 1.00 0.00 H new ATOM 0 HA GLN A 48 1.520 -6.014 13.242 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.461 -6.731 10.428 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.034 -5.280 11.226 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.310 -8.087 12.364 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.560 -7.266 11.451 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.257 -8.171 13.870 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.384 -6.859 15.047 1.00 0.00 H new ATOM 692 N GLY A 49 -0.426 -5.295 10.750 1.00 0.00 N ATOM 693 CA GLY A 49 -1.148 -4.313 9.975 1.00 0.00 C ATOM 694 C GLY A 49 -1.138 -4.772 8.525 1.00 0.00 C ATOM 695 O GLY A 49 -1.017 -5.969 8.253 1.00 0.00 O ATOM 0 H GLY A 49 -0.710 -6.251 10.537 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.171 -4.215 10.338 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.681 -3.333 10.069 1.00 0.00 H new ATOM 699 N TYR A 50 -1.289 -3.831 7.602 1.00 0.00 N ATOM 700 CA TYR A 50 -1.239 -4.066 6.162 1.00 0.00 C ATOM 701 C TYR A 50 -0.245 -3.070 5.554 1.00 0.00 C ATOM 702 O TYR A 50 0.008 -2.003 6.130 1.00 0.00 O ATOM 703 CB TYR A 50 -2.652 -3.915 5.574 1.00 0.00 C ATOM 704 CG TYR A 50 -3.633 -4.981 6.044 1.00 0.00 C ATOM 705 CD1 TYR A 50 -4.286 -4.856 7.287 1.00 0.00 C ATOM 706 CD2 TYR A 50 -3.885 -6.110 5.242 1.00 0.00 C ATOM 707 CE1 TYR A 50 -5.154 -5.866 7.741 1.00 0.00 C ATOM 708 CE2 TYR A 50 -4.795 -7.096 5.662 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.431 -6.981 6.917 1.00 0.00 C ATOM 710 OH TYR A 50 -6.293 -7.953 7.317 1.00 0.00 O ATOM 0 H TYR A 50 -1.455 -2.853 7.840 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.900 -5.076 5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.043 -2.933 5.840 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.588 -3.948 4.486 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.119 -3.979 7.895 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.375 -6.220 4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.608 -5.790 8.718 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.007 -7.941 5.024 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.973 -7.565 7.906 1.00 0.00 H new ATOM 720 N ARG A 51 0.324 -3.385 4.389 1.00 0.00 N ATOM 721 CA ARG A 51 1.239 -2.516 3.649 1.00 0.00 C ATOM 722 C ARG A 51 0.660 -2.378 2.252 1.00 0.00 C ATOM 723 O ARG A 51 0.592 -3.369 1.532 1.00 0.00 O ATOM 724 CB ARG A 51 2.659 -3.112 3.665 1.00 0.00 C ATOM 725 CG ARG A 51 3.728 -2.147 3.129 1.00 0.00 C ATOM 726 CD ARG A 51 5.164 -2.609 3.448 1.00 0.00 C ATOM 727 NE ARG A 51 5.501 -2.428 4.881 1.00 0.00 N ATOM 728 CZ ARG A 51 5.939 -3.352 5.754 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.248 -4.580 5.364 1.00 0.00 N ATOM 730 NH2 ARG A 51 6.058 -3.036 7.041 1.00 0.00 N ATOM 0 H ARG A 51 0.156 -4.276 3.922 1.00 0.00 H new ATOM 0 HA ARG A 51 1.333 -1.527 4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.915 -3.396 4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.670 -4.024 3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.614 -2.049 2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.566 -1.158 3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.275 -3.660 3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.870 -2.047 2.836 1.00 0.00 H new ATOM 0 HE ARG A 51 5.386 -1.484 5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.156 -4.842 4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.578 -5.264 6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.818 -2.098 7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.390 -3.732 7.709 1.00 0.00 H new ATOM 744 N ILE A 52 0.146 -1.204 1.895 1.00 0.00 N ATOM 745 CA ILE A 52 -0.335 -0.965 0.539 1.00 0.00 C ATOM 746 C ILE A 52 0.876 -0.540 -0.286 1.00 0.00 C ATOM 747 O ILE A 52 1.701 0.243 0.198 1.00 0.00 O ATOM 748 CB ILE A 52 -1.505 0.053 0.540 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.774 -0.638 1.071 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.788 0.724 -0.821 1.00 0.00 C ATOM 751 CD1 ILE A 52 -4.011 0.262 1.037 1.00 0.00 C ATOM 0 H ILE A 52 0.052 -0.406 2.524 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.763 -1.860 0.087 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.197 0.869 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.967 -1.532 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.599 -0.966 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.622 1.418 -0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.902 1.268 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.040 -0.039 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.870 -0.286 1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.836 1.145 1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.209 0.569 0.010 1.00 0.00 H new ATOM 763 N TYR A 53 0.940 -0.995 -1.538 1.00 0.00 N ATOM 764 CA TYR A 53 1.953 -0.639 -2.530 1.00 0.00 C ATOM 765 C TYR A 53 1.273 0.037 -3.708 1.00 0.00 C ATOM 766 O TYR A 53 0.439 -0.602 -4.347 1.00 0.00 O ATOM 767 CB TYR A 53 2.690 -1.896 -3.012 1.00 0.00 C ATOM 768 CG TYR A 53 3.788 -2.363 -2.087 1.00 0.00 C ATOM 769 CD1 TYR A 53 3.488 -3.196 -0.991 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.115 -1.958 -2.332 1.00 0.00 C ATOM 771 CE1 TYR A 53 4.514 -3.628 -0.133 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.139 -2.371 -1.467 1.00 0.00 C ATOM 773 CZ TYR A 53 5.841 -3.206 -0.371 1.00 0.00 C ATOM 774 OH TYR A 53 6.844 -3.589 0.457 1.00 0.00 O ATOM 0 H TYR A 53 0.253 -1.654 -1.905 1.00 0.00 H new ATOM 0 HA TYR A 53 2.678 0.039 -2.079 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.967 -2.702 -3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.118 -1.698 -3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.468 -3.503 -0.810 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.343 -1.332 -3.182 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.290 -4.277 0.701 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.155 -2.049 -1.641 1.00 0.00 H new ATOM 0 HH TYR A 53 7.691 -3.208 0.143 1.00 0.00 H new ATOM 784 N TYR A 54 1.581 1.301 -4.006 1.00 0.00 N ATOM 785 CA TYR A 54 1.010 2.040 -5.129 1.00 0.00 C ATOM 786 C TYR A 54 2.074 2.787 -5.939 1.00 0.00 C ATOM 787 O TYR A 54 3.199 2.971 -5.461 1.00 0.00 O ATOM 788 CB TYR A 54 -0.107 2.959 -4.604 1.00 0.00 C ATOM 789 CG TYR A 54 0.368 4.164 -3.813 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.788 5.342 -4.455 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.364 4.093 -2.411 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.198 6.447 -3.687 1.00 0.00 C ATOM 793 CE2 TYR A 54 0.779 5.189 -1.630 1.00 0.00 C ATOM 794 CZ TYR A 54 1.177 6.380 -2.276 1.00 0.00 C ATOM 795 OH TYR A 54 1.562 7.453 -1.540 1.00 0.00 O ATOM 0 H TYR A 54 2.248 1.848 -3.461 1.00 0.00 H new ATOM 0 HA TYR A 54 0.572 1.336 -5.836 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.696 3.310 -5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.774 2.371 -3.974 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.796 5.398 -5.533 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.038 3.185 -1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.530 7.350 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.793 5.120 -0.552 1.00 0.00 H new ATOM 0 HH TYR A 54 1.487 7.240 -0.586 1.00 0.00 H new ATOM 805 N TRP A 55 1.752 3.158 -7.180 1.00 0.00 N ATOM 806 CA TRP A 55 2.554 4.029 -8.039 1.00 0.00 C ATOM 807 C TRP A 55 1.653 4.836 -8.987 1.00 0.00 C ATOM 808 O TRP A 55 0.506 4.450 -9.242 1.00 0.00 O ATOM 809 CB TRP A 55 3.583 3.194 -8.817 1.00 0.00 C ATOM 810 CG TRP A 55 3.059 2.056 -9.645 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.707 2.135 -10.946 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.870 0.655 -9.276 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.348 0.892 -11.417 1.00 0.00 N ATOM 814 CE2 TRP A 55 2.424 -0.062 -10.427 1.00 0.00 C ATOM 815 CE3 TRP A 55 3.037 -0.088 -8.088 1.00 0.00 C ATOM 816 CZ2 TRP A 55 2.154 -1.437 -10.390 1.00 0.00 C ATOM 817 CZ3 TRP A 55 2.802 -1.472 -8.043 1.00 0.00 C ATOM 818 CH2 TRP A 55 2.335 -2.138 -9.188 1.00 0.00 C ATOM 0 H TRP A 55 0.891 2.847 -7.631 1.00 0.00 H new ATOM 0 HA TRP A 55 3.094 4.742 -7.416 1.00 0.00 H new ATOM 0 HB2 TRP A 55 4.134 3.865 -9.476 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.300 2.790 -8.102 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.707 3.042 -11.532 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.062 0.702 -12.377 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.354 0.421 -7.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.811 -1.951 -11.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 2.980 -2.022 -7.131 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.114 -3.194 -9.143 1.00 0.00 H new ATOM 829 N LYS A 56 2.188 5.932 -9.540 1.00 0.00 N ATOM 830 CA LYS A 56 1.588 6.752 -10.598 1.00 0.00 C ATOM 831 C LYS A 56 1.572 5.946 -11.894 1.00 0.00 C ATOM 832 O LYS A 56 2.588 5.328 -12.234 1.00 0.00 O ATOM 833 CB LYS A 56 2.463 8.019 -10.729 1.00 0.00 C ATOM 834 CG LYS A 56 2.025 9.118 -11.717 1.00 0.00 C ATOM 835 CD LYS A 56 0.904 10.027 -11.189 1.00 0.00 C ATOM 836 CE LYS A 56 0.860 11.424 -11.844 1.00 0.00 C ATOM 837 NZ LYS A 56 1.793 12.394 -11.215 1.00 0.00 N ATOM 0 H LYS A 56 3.097 6.288 -9.246 1.00 0.00 H new ATOM 0 HA LYS A 56 0.560 7.037 -10.372 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.539 8.473 -9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.467 7.701 -11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.890 9.733 -11.966 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.691 8.648 -12.642 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.054 9.533 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.025 10.147 -10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.103 11.330 -12.902 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.156 11.815 -11.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.566 13.355 -11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.697 12.348 -10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.770 12.159 -11.482 1.00 0.00 H new ATOM 851 N THR A 57 0.482 5.986 -12.651 1.00 0.00 N ATOM 852 CA THR A 57 0.329 5.267 -13.913 1.00 0.00 C ATOM 853 C THR A 57 -0.100 6.299 -14.956 1.00 0.00 C ATOM 854 O THR A 57 -0.968 7.134 -14.697 1.00 0.00 O ATOM 855 CB THR A 57 -0.650 4.094 -13.717 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.145 3.254 -12.694 1.00 0.00 O ATOM 857 CG2 THR A 57 -0.800 3.242 -14.982 1.00 0.00 C ATOM 0 H THR A 57 -0.341 6.533 -12.399 1.00 0.00 H new ATOM 0 HA THR A 57 1.252 4.805 -14.264 1.00 0.00 H new ATOM 0 HB THR A 57 -1.623 4.516 -13.466 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.828 3.356 -12.638 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.500 2.429 -14.792 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.176 3.862 -15.796 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.170 2.828 -15.259 1.00 0.00 H new ATOM 1096 N LYS A 71 5.891 3.596 -4.323 1.00 0.00 N ATOM 1097 CA LYS A 71 5.683 4.112 -2.990 1.00 0.00 C ATOM 1098 C LYS A 71 5.160 3.012 -2.087 1.00 0.00 C ATOM 1099 O LYS A 71 4.777 1.951 -2.586 1.00 0.00 O ATOM 1100 CB LYS A 71 4.693 5.284 -3.142 1.00 0.00 C ATOM 1101 CG LYS A 71 4.934 6.406 -2.135 1.00 0.00 C ATOM 1102 CD LYS A 71 4.594 7.771 -2.747 1.00 0.00 C ATOM 1103 CE LYS A 71 4.615 8.888 -1.699 1.00 0.00 C ATOM 1104 NZ LYS A 71 4.437 10.226 -2.299 1.00 0.00 N ATOM 0 HA LYS A 71 6.604 4.464 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.769 5.688 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.676 4.910 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.326 6.240 -1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.976 6.396 -1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.307 8.002 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.608 7.726 -3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.825 8.712 -0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.561 8.858 -1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.458 10.948 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.205 10.407 -2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.523 10.266 -2.793 1.00 0.00 H new ATOM 1118 N ILE A 72 5.167 3.257 -0.775 1.00 0.00 N ATOM 1119 CA ILE A 72 4.704 2.324 0.252 1.00 0.00 C ATOM 1120 C ILE A 72 3.847 3.108 1.245 1.00 0.00 C ATOM 1121 O ILE A 72 4.172 4.248 1.585 1.00 0.00 O ATOM 1122 CB ILE A 72 5.889 1.594 0.905 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.613 0.719 -0.136 1.00 0.00 C ATOM 1124 CG2 ILE A 72 5.431 0.688 2.058 1.00 0.00 C ATOM 1125 CD1 ILE A 72 7.969 1.279 -0.510 1.00 0.00 C ATOM 0 H ILE A 72 5.506 4.137 -0.387 1.00 0.00 H new ATOM 0 HA ILE A 72 4.090 1.535 -0.183 1.00 0.00 H new ATOM 0 HB ILE A 72 6.560 2.359 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.735 -0.289 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.996 0.637 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.296 0.189 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.937 1.291 2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.734 -0.060 1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.441 0.628 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.847 2.276 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.597 1.336 0.379 1.00 0.00 H new ATOM 1137 N LEU A 73 2.760 2.497 1.716 1.00 0.00 N ATOM 1138 CA LEU A 73 1.775 3.025 2.644 1.00 0.00 C ATOM 1139 C LEU A 73 1.584 1.972 3.735 1.00 0.00 C ATOM 1140 O LEU A 73 1.712 0.774 3.465 1.00 0.00 O ATOM 1141 CB LEU A 73 0.485 3.283 1.872 1.00 0.00 C ATOM 1142 CG LEU A 73 -0.419 4.361 2.443 1.00 0.00 C ATOM 1143 CD1 LEU A 73 0.110 5.790 2.517 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -1.584 4.424 1.482 1.00 0.00 C ATOM 0 H LEU A 73 2.533 1.544 1.432 1.00 0.00 H new ATOM 0 HA LEU A 73 2.086 3.964 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.744 3.556 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.079 2.351 1.821 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.603 4.073 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.653 6.439 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.003 5.816 3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.359 6.138 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.292 5.181 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.221 4.682 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.080 3.454 1.447 1.00 0.00 H new ATOM 1156 N THR A 74 1.254 2.391 4.948 1.00 0.00 N ATOM 1157 CA THR A 74 1.228 1.531 6.137 1.00 0.00 C ATOM 1158 C THR A 74 -0.068 1.782 6.902 1.00 0.00 C ATOM 1159 O THR A 74 -0.453 2.938 7.071 1.00 0.00 O ATOM 1160 CB THR A 74 2.506 1.788 6.981 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.434 0.739 6.766 1.00 0.00 O ATOM 1162 CG2 THR A 74 2.318 1.916 8.500 1.00 0.00 C ATOM 0 H THR A 74 0.990 3.357 5.144 1.00 0.00 H new ATOM 0 HA THR A 74 1.238 0.475 5.866 1.00 0.00 H new ATOM 0 HB THR A 74 2.850 2.762 6.633 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.241 0.902 7.297 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.284 2.094 8.973 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.650 2.750 8.715 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.886 0.995 8.892 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.708 0.708 7.381 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.937 0.763 8.161 1.00 0.00 C ATOM 1172 C PHE A 75 -1.906 -0.300 9.247 1.00 0.00 C ATOM 1173 O PHE A 75 -2.212 -1.470 8.999 1.00 0.00 O ATOM 1174 CB PHE A 75 -3.149 0.586 7.254 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.292 1.721 6.267 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.448 3.035 6.746 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -3.121 1.492 4.890 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.397 4.115 5.860 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -3.095 2.581 4.006 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.245 3.890 4.487 1.00 0.00 C ATOM 0 H PHE A 75 -0.372 -0.243 7.230 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.016 1.740 8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.061 -0.356 6.712 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.050 0.520 7.863 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.607 3.209 7.800 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.010 0.485 4.516 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.475 5.125 6.236 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.959 2.410 2.948 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.243 4.723 3.799 1.00 0.00 H new ATOM 1190 N GLN A 76 -1.444 0.077 10.438 1.00 0.00 N ATOM 1191 CA GLN A 76 -1.481 -0.799 11.596 1.00 0.00 C ATOM 1192 C GLN A 76 -2.896 -0.845 12.184 1.00 0.00 C ATOM 1193 O GLN A 76 -3.779 -0.078 11.789 1.00 0.00 O ATOM 1194 CB GLN A 76 -0.392 -0.403 12.603 1.00 0.00 C ATOM 1195 CG GLN A 76 -0.589 0.953 13.299 1.00 0.00 C ATOM 1196 CD GLN A 76 0.705 1.761 13.300 1.00 0.00 C ATOM 1197 OE1 GLN A 76 0.819 2.761 12.595 1.00 0.00 O ATOM 1198 NE2 GLN A 76 1.737 1.332 14.001 1.00 0.00 N ATOM 0 H GLN A 76 -1.037 0.994 10.622 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.249 -1.822 11.298 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.331 -1.178 13.368 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.567 -0.389 12.086 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.373 1.516 12.792 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.923 0.794 14.324 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.646 0.502 14.587 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.626 1.830 13.957 1.00 0.00 H new ATOM 1207 N GLY A 77 -3.123 -1.747 13.137 1.00 0.00 N ATOM 1208 CA GLY A 77 -4.397 -1.833 13.851 1.00 0.00 C ATOM 1209 C GLY A 77 -5.441 -2.680 13.127 1.00 0.00 C ATOM 1210 O GLY A 77 -6.616 -2.647 13.491 1.00 0.00 O ATOM 0 H GLY A 77 -2.433 -2.436 13.436 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.222 -2.253 14.842 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.792 -0.828 13.996 1.00 0.00 H new ATOM 1214 N SER A 78 -5.022 -3.450 12.117 1.00 0.00 N ATOM 1215 CA SER A 78 -5.859 -4.360 11.339 1.00 0.00 C ATOM 1216 C SER A 78 -7.028 -3.658 10.634 1.00 0.00 C ATOM 1217 O SER A 78 -8.005 -4.307 10.249 1.00 0.00 O ATOM 1218 CB SER A 78 -6.317 -5.528 12.221 1.00 0.00 C ATOM 1219 OG SER A 78 -6.634 -6.655 11.441 1.00 0.00 O ATOM 0 H SER A 78 -4.050 -3.454 11.809 1.00 0.00 H new ATOM 0 HA SER A 78 -5.250 -4.759 10.528 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.530 -5.782 12.931 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.188 -5.228 12.804 1.00 0.00 H new ATOM 0 HG SER A 78 -7.237 -6.391 10.715 1.00 0.00 H new ATOM 1225 N LYS A 79 -6.937 -2.339 10.439 1.00 0.00 N ATOM 1226 CA LYS A 79 -7.951 -1.619 9.682 1.00 0.00 C ATOM 1227 C LYS A 79 -8.068 -2.244 8.313 1.00 0.00 C ATOM 1228 O LYS A 79 -7.064 -2.464 7.641 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.626 -0.132 9.536 1.00 0.00 C ATOM 1230 CG LYS A 79 -8.412 0.710 10.535 1.00 0.00 C ATOM 1231 CD LYS A 79 -9.681 1.347 9.956 1.00 0.00 C ATOM 1232 CE LYS A 79 -9.323 2.719 9.370 1.00 0.00 C ATOM 1233 NZ LYS A 79 -10.492 3.392 8.787 1.00 0.00 N ATOM 0 H LYS A 79 -6.177 -1.758 10.793 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.892 -1.691 10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.558 0.025 9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.856 0.194 8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.687 0.084 11.384 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.764 1.499 10.918 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.106 0.706 9.184 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.438 1.454 10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.896 3.347 10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.556 2.597 8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.389 3.433 7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.354 2.862 9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.562 4.358 9.167 1.00 0.00 H new ATOM 1247 N THR A 80 -9.305 -2.457 7.911 1.00 0.00 N ATOM 1248 CA THR A 80 -9.678 -2.993 6.619 1.00 0.00 C ATOM 1249 C THR A 80 -9.872 -1.893 5.575 1.00 0.00 C ATOM 1250 O THR A 80 -10.158 -2.198 4.416 1.00 0.00 O ATOM 1251 CB THR A 80 -10.951 -3.813 6.814 1.00 0.00 C ATOM 1252 OG1 THR A 80 -11.905 -3.080 7.565 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.641 -5.099 7.569 1.00 0.00 C ATOM 0 H THR A 80 -10.111 -2.252 8.501 1.00 0.00 H new ATOM 0 HA THR A 80 -8.876 -3.623 6.234 1.00 0.00 H new ATOM 0 HB THR A 80 -11.352 -4.044 5.827 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.715 -3.619 7.679 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.558 -5.674 7.701 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.921 -5.689 7.002 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.222 -4.856 8.545 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.726 -0.615 5.955 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.827 0.455 4.970 1.00 0.00 C ATOM 1263 C HIS A 81 -8.904 1.584 5.377 1.00 0.00 C ATOM 1264 O HIS A 81 -8.713 1.807 6.573 1.00 0.00 O ATOM 1265 CB HIS A 81 -11.279 0.921 4.788 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.966 1.455 6.020 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -12.546 2.699 6.134 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -12.194 0.782 7.190 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -13.109 2.780 7.349 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -12.872 1.653 8.047 1.00 0.00 N ATOM 0 H HIS A 81 -9.543 -0.309 6.911 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.512 0.083 3.995 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -11.297 1.697 4.022 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.862 0.083 4.406 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -12.547 3.429 5.421 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -11.903 -0.235 7.410 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -13.671 3.627 7.715 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.286 2.255 4.413 1.00 0.00 N ATOM 1279 CA GLY A 82 -7.237 3.240 4.641 1.00 0.00 C ATOM 1280 C GLY A 82 -7.116 4.149 3.430 1.00 0.00 C ATOM 1281 O GLY A 82 -7.606 3.819 2.350 1.00 0.00 O ATOM 0 H GLY A 82 -8.506 2.126 3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.465 3.830 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.288 2.738 4.827 1.00 0.00 H new ATOM 1285 N MET A 83 -6.483 5.307 3.603 1.00 0.00 N ATOM 1286 CA MET A 83 -6.606 6.414 2.666 1.00 0.00 C ATOM 1287 C MET A 83 -5.266 6.752 2.029 1.00 0.00 C ATOM 1288 O MET A 83 -4.217 6.631 2.668 1.00 0.00 O ATOM 1289 CB MET A 83 -7.220 7.626 3.373 1.00 0.00 C ATOM 1290 CG MET A 83 -8.582 7.258 3.968 1.00 0.00 C ATOM 1291 SD MET A 83 -9.560 8.666 4.518 1.00 0.00 S ATOM 1292 CE MET A 83 -10.703 8.787 3.129 1.00 0.00 C ATOM 0 H MET A 83 -5.872 5.501 4.396 1.00 0.00 H new ATOM 0 HA MET A 83 -7.272 6.116 1.856 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.552 7.973 4.162 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.334 8.449 2.667 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.153 6.704 3.222 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.426 6.587 4.813 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.937 9.835 2.941 1.00 0.00 H new ATOM 0 HE2 MET A 83 -10.244 8.353 2.241 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.620 8.247 3.364 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.326 7.224 0.786 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.223 7.636 -0.075 1.00 0.00 C ATOM 1304 C LEU A 84 -4.226 9.167 -0.123 1.00 0.00 C ATOM 1305 O LEU A 84 -4.955 9.711 -0.948 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.466 7.069 -1.497 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.820 5.727 -1.849 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.317 5.833 -1.995 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -4.099 4.606 -0.852 1.00 0.00 C ATOM 0 H LEU A 84 -6.225 7.337 0.317 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.267 7.269 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.542 6.970 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.116 7.809 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.288 5.471 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.906 4.855 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.078 6.541 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.884 6.180 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.602 3.694 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.721 4.890 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.173 4.432 -0.791 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.512 9.879 0.766 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.423 11.334 0.721 1.00 0.00 C ATOM 1323 C PRO A 85 -2.208 11.828 -0.067 1.00 0.00 C ATOM 1324 O PRO A 85 -1.214 11.111 -0.235 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.274 11.728 2.189 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.405 10.603 2.751 1.00 0.00 C ATOM 1327 CD PRO A 85 -2.962 9.385 2.020 1.00 0.00 C ATOM 0 HA PRO A 85 -4.290 11.769 0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.798 12.702 2.301 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.239 11.785 2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.347 10.759 2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.504 10.511 3.833 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.179 8.649 1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.731 8.892 2.615 1.00 0.00 H new ATOM 1335 N GLY A 86 -2.251 13.102 -0.462 1.00 0.00 N ATOM 1336 CA GLY A 86 -1.163 13.752 -1.179 1.00 0.00 C ATOM 1337 C GLY A 86 -0.955 13.131 -2.556 1.00 0.00 C ATOM 1338 O GLY A 86 0.187 13.013 -3.011 1.00 0.00 O ATOM 0 H GLY A 86 -3.050 13.712 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.380 14.815 -1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.244 13.671 -0.599 1.00 0.00 H new ATOM 1342 N LEU A 87 -2.035 12.675 -3.189 1.00 0.00 N ATOM 1343 CA LEU A 87 -2.035 12.178 -4.556 1.00 0.00 C ATOM 1344 C LEU A 87 -2.263 13.353 -5.491 1.00 0.00 C ATOM 1345 O LEU A 87 -2.741 14.406 -5.066 1.00 0.00 O ATOM 1346 CB LEU A 87 -3.153 11.132 -4.707 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.728 9.716 -4.297 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -1.755 9.059 -5.263 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -2.119 9.646 -2.895 1.00 0.00 C ATOM 0 H LEU A 87 -2.955 12.642 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.084 11.706 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.007 11.436 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.487 11.116 -5.745 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.669 9.166 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.503 8.061 -4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.215 8.984 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.848 9.660 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.841 8.616 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.233 10.279 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.849 9.993 -2.164 1.00 0.00 H new ATOM 1361 N GLU A 88 -1.954 13.163 -6.769 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.109 14.193 -7.786 1.00 0.00 C ATOM 1363 C GLU A 88 -3.357 13.884 -8.617 1.00 0.00 C ATOM 1364 O GLU A 88 -3.579 12.743 -9.017 1.00 0.00 O ATOM 1365 CB GLU A 88 -0.870 14.319 -8.690 1.00 0.00 C ATOM 1366 CG GLU A 88 0.455 14.451 -7.922 1.00 0.00 C ATOM 1367 CD GLU A 88 1.137 13.114 -7.590 1.00 0.00 C ATOM 1368 OE1 GLU A 88 1.279 12.256 -8.495 1.00 0.00 O ATOM 1369 OE2 GLU A 88 1.580 12.910 -6.435 1.00 0.00 O ATOM 0 H GLU A 88 -1.586 12.283 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.221 15.154 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.816 13.445 -9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.992 15.188 -9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 88 1.142 15.058 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.269 14.990 -6.993 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.204 14.885 -8.877 1.00 0.00 N ATOM 1377 CA PRO A 89 -5.416 14.697 -9.647 1.00 0.00 C ATOM 1378 C PRO A 89 -5.121 14.598 -11.157 1.00 0.00 C ATOM 1379 O PRO A 89 -4.030 14.961 -11.614 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.269 15.896 -9.299 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.316 16.991 -8.829 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.048 16.256 -8.436 1.00 0.00 C ATOM 0 HA PRO A 89 -5.922 13.761 -9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.842 16.227 -10.165 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.987 15.646 -8.518 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.124 17.716 -9.620 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.732 17.542 -7.986 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.176 16.715 -8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.894 16.300 -7.358 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.136 14.206 -11.939 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.113 14.019 -13.391 1.00 0.00 C ATOM 1392 C PHE A 90 -4.995 13.057 -13.829 1.00 0.00 C ATOM 1393 O PHE A 90 -4.273 13.285 -14.799 1.00 0.00 O ATOM 1394 CB PHE A 90 -6.137 15.377 -14.123 1.00 0.00 C ATOM 1395 CG PHE A 90 -6.620 15.291 -15.563 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -7.994 15.149 -15.842 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -5.701 15.301 -16.631 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -8.442 14.967 -17.159 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -6.150 15.123 -17.953 1.00 0.00 C ATOM 1400 CZ PHE A 90 -7.518 14.934 -18.213 1.00 0.00 C ATOM 0 H PHE A 90 -7.054 13.998 -11.546 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.029 13.515 -13.698 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.782 16.064 -13.574 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.134 15.803 -14.111 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.710 15.181 -15.034 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -4.649 15.446 -16.435 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.497 14.853 -17.361 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.442 15.132 -18.769 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.857 14.763 -19.224 1.00 0.00 H new ATOM 1410 N SER A 91 -4.829 11.955 -13.102 1.00 0.00 N ATOM 1411 CA SER A 91 -3.925 10.866 -13.442 1.00 0.00 C ATOM 1412 C SER A 91 -4.456 9.527 -12.925 1.00 0.00 C ATOM 1413 O SER A 91 -5.333 9.487 -12.051 1.00 0.00 O ATOM 1414 CB SER A 91 -2.550 11.184 -12.854 1.00 0.00 C ATOM 1415 OG SER A 91 -1.923 12.194 -13.632 1.00 0.00 O ATOM 0 H SER A 91 -5.337 11.793 -12.233 1.00 0.00 H new ATOM 0 HA SER A 91 -3.847 10.774 -14.525 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.653 11.517 -11.821 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.933 10.286 -12.839 1.00 0.00 H new ATOM 0 HG SER A 91 -2.591 12.632 -14.199 1.00 0.00 H new ATOM 1421 N HIS A 92 -3.911 8.443 -13.480 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.235 7.071 -13.123 1.00 0.00 C ATOM 1423 C HIS A 92 -3.221 6.631 -12.067 1.00 0.00 C ATOM 1424 O HIS A 92 -2.101 7.148 -12.012 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.138 6.196 -14.395 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.086 5.024 -14.532 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -5.123 4.190 -15.626 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.138 4.679 -13.724 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -6.181 3.378 -15.491 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -6.819 3.616 -14.333 1.00 0.00 N ATOM 0 H HIS A 92 -3.207 8.504 -14.216 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.244 6.975 -12.722 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.285 6.846 -15.258 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.121 5.810 -14.457 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.397 5.144 -12.784 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -6.480 2.634 -16.215 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -7.635 3.123 -13.970 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.581 5.643 -11.254 1.00 0.00 N ATOM 1439 CA TYR A 93 -2.665 5.016 -10.318 1.00 0.00 C ATOM 1440 C TYR A 93 -2.990 3.530 -10.233 1.00 0.00 C ATOM 1441 O TYR A 93 -4.109 3.106 -10.554 1.00 0.00 O ATOM 1442 CB TYR A 93 -2.779 5.665 -8.933 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.335 7.108 -8.830 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -3.228 8.150 -9.139 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -1.023 7.403 -8.411 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -2.793 9.483 -9.063 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -0.579 8.737 -8.362 1.00 0.00 C ATOM 1448 CZ TYR A 93 -1.466 9.787 -8.685 1.00 0.00 C ATOM 1449 OH TYR A 93 -1.063 11.081 -8.619 1.00 0.00 O ATOM 0 H TYR A 93 -4.524 5.255 -11.229 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.642 5.150 -10.668 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.818 5.603 -8.611 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.191 5.075 -8.229 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.243 7.926 -9.433 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.356 6.603 -8.127 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.479 10.284 -9.296 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.439 8.958 -8.078 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.087 11.116 -8.537 1.00 0.00 H new ATOM 1459 N THR A 94 -2.024 2.744 -9.769 1.00 0.00 N ATOM 1460 CA THR A 94 -2.194 1.336 -9.425 1.00 0.00 C ATOM 1461 C THR A 94 -1.826 1.212 -7.949 1.00 0.00 C ATOM 1462 O THR A 94 -0.788 1.743 -7.567 1.00 0.00 O ATOM 1463 CB THR A 94 -1.283 0.463 -10.311 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.438 0.784 -11.686 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.583 -1.031 -10.151 1.00 0.00 C ATOM 0 H THR A 94 -1.073 3.079 -9.617 1.00 0.00 H new ATOM 0 HA THR A 94 -3.215 0.994 -9.594 1.00 0.00 H new ATOM 0 HB THR A 94 -0.265 0.671 -9.983 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.978 1.628 -11.879 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.917 -1.607 -10.794 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.428 -1.324 -9.113 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.618 -1.227 -10.432 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.660 0.579 -7.113 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.334 0.175 -5.741 1.00 0.00 C ATOM 1475 C LEU A 95 -2.624 -1.319 -5.552 1.00 0.00 C ATOM 1476 O LEU A 95 -3.376 -1.912 -6.324 1.00 0.00 O ATOM 1477 CB LEU A 95 -3.017 1.048 -4.668 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.549 1.038 -4.483 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.358 0.954 -5.777 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -5.002 -0.111 -3.577 1.00 0.00 C ATOM 0 H LEU A 95 -3.611 0.326 -7.383 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.267 0.341 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.579 0.773 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.727 2.080 -4.866 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.753 2.007 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.422 0.953 -5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.127 1.813 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.103 0.036 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.086 -0.085 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.704 -1.062 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.539 -0.005 -2.596 1.00 0.00 H new ATOM 1492 N ASN A 96 -2.084 -1.919 -4.492 1.00 0.00 N ATOM 1493 CA ASN A 96 -2.480 -3.238 -3.979 1.00 0.00 C ATOM 1494 C ASN A 96 -2.310 -3.254 -2.462 1.00 0.00 C ATOM 1495 O ASN A 96 -1.704 -2.331 -1.919 1.00 0.00 O ATOM 1496 CB ASN A 96 -1.691 -4.387 -4.635 1.00 0.00 C ATOM 1497 CG ASN A 96 -0.207 -4.400 -4.280 1.00 0.00 C ATOM 1498 OD1 ASN A 96 0.176 -4.598 -3.137 1.00 0.00 O ATOM 1499 ND2 ASN A 96 0.671 -4.253 -5.256 1.00 0.00 N ATOM 0 H ASN A 96 -1.336 -1.491 -3.947 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.526 -3.403 -4.235 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.134 -5.337 -4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.795 -4.314 -5.718 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.670 -4.305 -5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.350 -4.088 -6.210 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.826 -4.284 -1.793 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.751 -4.482 -0.353 1.00 0.00 C ATOM 1508 C VAL A 97 -1.903 -5.728 -0.124 1.00 0.00 C ATOM 1509 O VAL A 97 -2.150 -6.772 -0.728 1.00 0.00 O ATOM 1510 CB VAL A 97 -4.166 -4.675 0.244 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -4.116 -4.657 1.778 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -5.187 -3.616 -0.198 1.00 0.00 C ATOM 0 H VAL A 97 -3.330 -5.035 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.310 -3.613 0.136 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.496 -5.641 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.121 -4.794 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.473 -5.463 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.718 -3.701 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.151 -3.825 0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.843 -2.628 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.292 -3.642 -1.283 1.00 0.00 H new ATOM 1522 N ARG A 98 -0.934 -5.651 0.780 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.086 -6.770 1.150 1.00 0.00 C ATOM 1524 C ARG A 98 -0.176 -6.951 2.656 1.00 0.00 C ATOM 1525 O ARG A 98 -0.334 -5.973 3.394 1.00 0.00 O ATOM 1526 CB ARG A 98 1.327 -6.466 0.639 1.00 0.00 C ATOM 1527 CG ARG A 98 2.191 -7.722 0.505 1.00 0.00 C ATOM 1528 CD ARG A 98 3.580 -7.367 -0.041 1.00 0.00 C ATOM 1529 NE ARG A 98 4.190 -8.566 -0.621 1.00 0.00 N ATOM 1530 CZ ARG A 98 4.509 -8.789 -1.899 1.00 0.00 C ATOM 1531 NH1 ARG A 98 4.543 -7.791 -2.781 1.00 0.00 N ATOM 1532 NH2 ARG A 98 4.761 -10.037 -2.266 1.00 0.00 N ATOM 0 H ARG A 98 -0.714 -4.792 1.284 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.395 -7.714 0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.260 -5.972 -0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.813 -5.767 1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.289 -8.207 1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.704 -8.435 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.498 -6.585 -0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.209 -6.975 0.758 1.00 0.00 H new ATOM 0 HE ARG A 98 4.396 -9.323 0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.324 -6.840 -2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.788 -7.978 -3.753 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.708 -10.791 -1.581 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.008 -10.244 -3.234 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.136 -8.199 3.108 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.216 -8.525 4.525 1.00 0.00 C ATOM 1548 C VAL A 99 1.203 -8.483 5.103 1.00 0.00 C ATOM 1549 O VAL A 99 2.187 -8.679 4.379 1.00 0.00 O ATOM 1550 CB VAL A 99 -0.957 -9.873 4.703 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.313 -9.919 3.966 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.117 -11.083 4.307 1.00 0.00 C ATOM 0 H VAL A 99 -0.047 -9.014 2.501 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.804 -7.800 5.088 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.147 -9.933 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.783 -10.889 4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.962 -9.132 4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.152 -9.769 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.697 -11.993 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.166 -11.002 3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.781 -11.120 4.923 1.00 0.00 H new ATOM 1562 N VAL A 100 1.313 -8.214 6.400 1.00 0.00 N ATOM 1563 CA VAL A 100 2.566 -8.110 7.142 1.00 0.00 C ATOM 1564 C VAL A 100 2.336 -8.773 8.492 1.00 0.00 C ATOM 1565 O VAL A 100 1.254 -8.641 9.084 1.00 0.00 O ATOM 1566 CB VAL A 100 2.949 -6.634 7.357 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.271 -6.480 8.135 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.134 -5.856 6.057 1.00 0.00 C ATOM 0 H VAL A 100 0.496 -8.055 6.989 1.00 0.00 H new ATOM 0 HA VAL A 100 3.375 -8.590 6.591 1.00 0.00 H new ATOM 0 HB VAL A 100 2.106 -6.231 7.919 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.498 -5.421 8.261 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.174 -6.949 9.114 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.077 -6.960 7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.403 -4.825 6.285 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.927 -6.316 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.204 -5.871 5.488 1.00 0.00 H new ATOM 1578 N ASN A 101 3.345 -9.472 8.997 1.00 0.00 N ATOM 1579 CA ASN A 101 3.279 -10.127 10.284 1.00 0.00 C ATOM 1580 C ASN A 101 4.634 -10.081 10.997 1.00 0.00 C ATOM 1581 O ASN A 101 5.583 -9.447 10.530 1.00 0.00 O ATOM 1582 CB ASN A 101 2.749 -11.562 10.086 1.00 0.00 C ATOM 1583 CG ASN A 101 3.769 -12.572 9.574 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.942 -12.294 9.361 1.00 0.00 O ATOM 1585 ND2 ASN A 101 3.332 -13.793 9.406 1.00 0.00 N ATOM 0 H ASN A 101 4.236 -9.597 8.516 1.00 0.00 H new ATOM 0 HA ASN A 101 2.586 -9.598 10.938 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.355 -11.920 11.037 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.913 -11.529 9.387 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.971 -14.525 9.095 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.353 -14.013 9.586 1.00 0.00 H new ATOM 1592 N GLY A 102 4.717 -10.738 12.155 1.00 0.00 N ATOM 1593 CA GLY A 102 5.900 -10.790 13.007 1.00 0.00 C ATOM 1594 C GLY A 102 7.141 -11.443 12.389 1.00 0.00 C ATOM 1595 O GLY A 102 8.168 -11.474 13.062 1.00 0.00 O ATOM 0 H GLY A 102 3.933 -11.267 12.537 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.157 -9.772 13.301 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.644 -11.331 13.918 1.00 0.00 H new ATOM 1599 N LYS A 103 7.100 -11.943 11.152 1.00 0.00 N ATOM 1600 CA LYS A 103 8.215 -12.600 10.467 1.00 0.00 C ATOM 1601 C LYS A 103 8.524 -11.924 9.138 1.00 0.00 C ATOM 1602 O LYS A 103 9.696 -11.846 8.756 1.00 0.00 O ATOM 1603 CB LYS A 103 7.830 -14.074 10.276 1.00 0.00 C ATOM 1604 CG LYS A 103 8.818 -14.950 9.500 1.00 0.00 C ATOM 1605 CD LYS A 103 10.150 -15.163 10.215 1.00 0.00 C ATOM 1606 CE LYS A 103 11.030 -16.040 9.318 1.00 0.00 C ATOM 1607 NZ LYS A 103 12.344 -16.274 9.931 1.00 0.00 N ATOM 0 H LYS A 103 6.258 -11.900 10.579 1.00 0.00 H new ATOM 0 HA LYS A 103 9.125 -12.524 11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.684 -14.517 11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.868 -14.111 9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.358 -15.920 9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.007 -14.494 8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.636 -14.207 10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.992 -15.642 11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.534 -16.994 9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.158 -15.560 8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.919 -16.870 9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.825 -15.364 10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.220 -16.754 10.845 1.00 0.00 H new ATOM 1621 N GLY A 104 7.514 -11.448 8.418 1.00 0.00 N ATOM 1622 CA GLY A 104 7.705 -10.906 7.088 1.00 0.00 C ATOM 1623 C GLY A 104 6.391 -10.526 6.429 1.00 0.00 C ATOM 1624 O GLY A 104 5.433 -10.116 7.085 1.00 0.00 O ATOM 0 H GLY A 104 6.547 -11.429 8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.348 -10.028 7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.221 -11.640 6.469 1.00 0.00 H new ATOM 1628 N GLU A 105 6.380 -10.613 5.103 1.00 0.00 N ATOM 1629 CA GLU A 105 5.277 -10.233 4.237 1.00 0.00 C ATOM 1630 C GLU A 105 4.790 -11.492 3.515 1.00 0.00 C ATOM 1631 O GLU A 105 5.538 -12.466 3.385 1.00 0.00 O ATOM 1632 CB GLU A 105 5.750 -9.163 3.231 1.00 0.00 C ATOM 1633 CG GLU A 105 6.456 -7.959 3.888 1.00 0.00 C ATOM 1634 CD GLU A 105 6.985 -6.943 2.870 1.00 0.00 C ATOM 1635 OE1 GLU A 105 7.803 -7.321 2.003 1.00 0.00 O ATOM 1636 OE2 GLU A 105 6.629 -5.745 2.965 1.00 0.00 O ATOM 0 H GLU A 105 7.181 -10.968 4.581 1.00 0.00 H new ATOM 0 HA GLU A 105 4.458 -9.805 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.431 -9.626 2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.890 -8.804 2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.759 -7.460 4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.285 -8.320 4.497 1.00 0.00 H new ATOM 1643 N GLY A 106 3.553 -11.469 3.019 1.00 0.00 N ATOM 1644 CA GLY A 106 3.005 -12.507 2.150 1.00 0.00 C ATOM 1645 C GLY A 106 2.956 -12.108 0.680 1.00 0.00 C ATOM 1646 O GLY A 106 3.603 -11.134 0.279 1.00 0.00 O ATOM 0 H GLY A 106 2.894 -10.715 3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.606 -13.410 2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.998 -12.755 2.484 1.00 0.00 H new ATOM 1650 N PRO A 107 2.153 -12.822 -0.124 1.00 0.00 N ATOM 1651 CA PRO A 107 1.692 -12.281 -1.388 1.00 0.00 C ATOM 1652 C PRO A 107 0.843 -11.046 -1.121 1.00 0.00 C ATOM 1653 O PRO A 107 0.354 -10.802 -0.010 1.00 0.00 O ATOM 1654 CB PRO A 107 0.896 -13.402 -2.061 1.00 0.00 C ATOM 1655 CG PRO A 107 0.460 -14.329 -0.923 1.00 0.00 C ATOM 1656 CD PRO A 107 1.310 -13.937 0.286 1.00 0.00 C ATOM 0 HA PRO A 107 2.507 -11.966 -2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.034 -13.005 -2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.507 -13.935 -2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.602 -14.211 -0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 107 0.617 -15.374 -1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.676 -13.652 1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.919 -14.778 0.617 1.00 0.00 H new ATOM 1664 N ALA A 108 0.671 -10.261 -2.174 1.00 0.00 N ATOM 1665 CA ALA A 108 -0.223 -9.128 -2.195 1.00 0.00 C ATOM 1666 C ALA A 108 -1.517 -9.546 -2.885 1.00 0.00 C ATOM 1667 O ALA A 108 -1.592 -10.587 -3.550 1.00 0.00 O ATOM 1668 CB ALA A 108 0.492 -7.987 -2.913 1.00 0.00 C ATOM 0 H ALA A 108 1.164 -10.403 -3.055 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.487 -8.785 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.159 -7.113 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.408 -7.737 -2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.738 -8.294 -3.929 1.00 0.00 H new ATOM 1674 N SER A 109 -2.538 -8.715 -2.729 1.00 0.00 N ATOM 1675 CA SER A 109 -3.809 -8.840 -3.416 1.00 0.00 C ATOM 1676 C SER A 109 -3.602 -8.615 -4.932 1.00 0.00 C ATOM 1677 O SER A 109 -2.464 -8.370 -5.363 1.00 0.00 O ATOM 1678 CB SER A 109 -4.767 -7.872 -2.706 1.00 0.00 C ATOM 1679 OG SER A 109 -4.366 -6.521 -2.865 1.00 0.00 O ATOM 0 H SER A 109 -2.500 -7.912 -2.101 1.00 0.00 H new ATOM 0 HA SER A 109 -4.255 -9.833 -3.365 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.774 -8.001 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.809 -8.116 -1.644 1.00 0.00 H new ATOM 0 HG SER A 109 -4.899 -6.103 -3.573 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.644 -8.695 -5.780 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.491 -8.310 -7.176 1.00 0.00 C ATOM 1687 C PRO A 110 -4.086 -6.832 -7.260 1.00 0.00 C ATOM 1688 O PRO A 110 -4.208 -6.082 -6.287 1.00 0.00 O ATOM 1689 CB PRO A 110 -5.851 -8.543 -7.847 1.00 0.00 C ATOM 1690 CG PRO A 110 -6.754 -9.163 -6.778 1.00 0.00 C ATOM 1691 CD PRO A 110 -6.051 -8.867 -5.459 1.00 0.00 C ATOM 0 HA PRO A 110 -3.716 -8.893 -7.673 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.269 -7.606 -8.214 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.753 -9.207 -8.706 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.752 -8.726 -6.801 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.871 -10.236 -6.932 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.457 -7.968 -4.994 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.192 -9.684 -4.751 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.681 -6.369 -8.435 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.671 -4.940 -8.723 1.00 0.00 C ATOM 1701 C ASP A 111 -5.095 -4.407 -8.621 1.00 0.00 C ATOM 1702 O ASP A 111 -6.057 -5.033 -9.070 1.00 0.00 O ATOM 1703 CB ASP A 111 -3.061 -4.601 -10.094 1.00 0.00 C ATOM 1704 CG ASP A 111 -3.374 -5.614 -11.189 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -2.671 -6.653 -11.211 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -4.211 -5.344 -12.069 1.00 0.00 O ATOM 0 H ASP A 111 -3.356 -6.959 -9.201 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.030 -4.457 -7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.423 -3.622 -10.407 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.979 -4.522 -9.987 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.231 -3.237 -8.006 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.386 -2.368 -8.122 1.00 0.00 C ATOM 1713 C ARG A 112 -5.915 -1.097 -8.795 1.00 0.00 C ATOM 1714 O ARG A 112 -4.740 -0.726 -8.715 1.00 0.00 O ATOM 1715 CB ARG A 112 -6.960 -2.043 -6.741 1.00 0.00 C ATOM 1716 CG ARG A 112 -8.003 -3.074 -6.329 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.292 -2.887 -7.126 1.00 0.00 C ATOM 1718 NE ARG A 112 -9.872 -4.162 -7.550 1.00 0.00 N ATOM 1719 CZ ARG A 112 -10.819 -4.317 -8.476 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -11.396 -3.269 -9.049 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -11.175 -5.534 -8.854 1.00 0.00 N ATOM 0 H ARG A 112 -4.511 -2.858 -7.391 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.173 -2.854 -8.699 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.156 -2.019 -6.005 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.410 -1.050 -6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.612 -4.079 -6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.212 -2.981 -5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.017 -2.345 -6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -9.088 -2.273 -8.003 1.00 0.00 H new ATOM 0 HE ARG A 112 -9.521 -5.006 -7.098 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -11.117 -2.325 -8.783 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -12.119 -3.408 -9.755 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -10.726 -6.349 -8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -11.899 -5.657 -9.562 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.853 -0.379 -9.388 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.591 0.908 -10.000 1.00 0.00 C ATOM 1737 C VAL A 113 -7.691 1.864 -9.567 1.00 0.00 C ATOM 1738 O VAL A 113 -8.756 1.421 -9.120 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.426 0.765 -11.523 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.364 -0.292 -11.862 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -7.734 0.381 -12.204 1.00 0.00 C ATOM 0 H VAL A 113 -7.826 -0.677 -9.458 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.643 1.327 -9.664 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.110 1.740 -11.894 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.266 -0.375 -12.944 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.407 0.003 -11.432 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.665 -1.255 -11.450 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.572 0.291 -13.278 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.084 -0.572 -11.808 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.483 1.150 -12.013 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.435 3.161 -9.698 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.455 4.184 -9.596 1.00 0.00 C ATOM 1753 C PHE A 114 -8.027 5.359 -10.473 1.00 0.00 C ATOM 1754 O PHE A 114 -6.847 5.722 -10.479 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.695 4.583 -8.130 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.494 5.058 -7.328 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -7.133 6.418 -7.263 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -6.821 4.131 -6.518 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -6.148 6.846 -6.350 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -5.880 4.562 -5.572 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.540 5.916 -5.486 1.00 0.00 C ATOM 0 H PHE A 114 -6.502 3.530 -9.880 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.415 3.811 -9.953 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.444 5.374 -8.115 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.127 3.725 -7.614 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.612 7.134 -7.914 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.029 3.077 -6.624 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -5.860 7.886 -6.313 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.417 3.847 -4.908 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.813 6.247 -4.759 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.965 5.925 -11.236 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.773 7.164 -11.984 1.00 0.00 C ATOM 1773 C ASN A 115 -9.217 8.330 -11.119 1.00 0.00 C ATOM 1774 O ASN A 115 -10.312 8.297 -10.554 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.521 7.168 -13.326 1.00 0.00 C ATOM 1776 CG ASN A 115 -11.047 7.120 -13.276 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.640 6.286 -12.594 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.711 7.948 -14.068 1.00 0.00 N ATOM 0 H ASN A 115 -9.896 5.525 -11.352 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.714 7.255 -12.227 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -9.229 8.065 -13.872 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.175 6.314 -13.908 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.729 7.899 -14.118 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -11.205 8.634 -14.628 1.00 0.00 H new ATOM 1785 N THR A 116 -8.366 9.340 -10.978 1.00 0.00 N ATOM 1786 CA THR A 116 -8.735 10.559 -10.267 1.00 0.00 C ATOM 1787 C THR A 116 -9.610 11.449 -11.182 1.00 0.00 C ATOM 1788 O THR A 116 -9.635 11.218 -12.394 1.00 0.00 O ATOM 1789 CB THR A 116 -7.458 11.251 -9.751 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.539 11.513 -10.785 1.00 0.00 O ATOM 1791 CG2 THR A 116 -6.737 10.411 -8.692 1.00 0.00 C ATOM 0 H THR A 116 -7.415 9.339 -11.347 1.00 0.00 H new ATOM 0 HA THR A 116 -9.343 10.337 -9.390 1.00 0.00 H new ATOM 0 HB THR A 116 -7.799 12.189 -9.314 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.987 10.719 -10.941 1.00 0.00 H new ATOM 0 HG21 THR A 116 -5.843 10.937 -8.357 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.401 10.247 -7.843 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.453 9.450 -9.121 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.332 12.454 -10.638 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.134 13.392 -11.421 1.00 0.00 C ATOM 1801 C PRO A 117 -10.219 14.389 -12.156 1.00 0.00 C ATOM 1802 O PRO A 117 -9.453 13.964 -13.017 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.134 13.999 -10.427 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.372 13.954 -9.103 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.577 12.660 -9.219 1.00 0.00 C ATOM 0 HA PRO A 117 -11.698 12.931 -12.232 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.407 15.018 -10.701 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.058 13.422 -10.381 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.721 14.820 -8.981 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.047 13.939 -8.247 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.639 12.730 -8.669 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -11.133 11.823 -8.795 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.247 15.691 -11.844 1.00 0.00 N ATOM 1814 CA GLU A 118 -9.405 16.684 -12.521 1.00 0.00 C ATOM 1815 C GLU A 118 -8.531 17.477 -11.559 1.00 0.00 C ATOM 1816 O GLU A 118 -7.412 17.850 -11.899 1.00 0.00 O ATOM 1817 CB GLU A 118 -10.260 17.621 -13.381 1.00 0.00 C ATOM 1818 CG GLU A 118 -9.336 18.547 -14.186 1.00 0.00 C ATOM 1819 CD GLU A 118 -10.057 19.347 -15.261 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -10.428 18.766 -16.308 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -10.166 20.586 -15.104 1.00 0.00 O ATOM 0 H GLU A 118 -10.850 16.083 -11.120 1.00 0.00 H new ATOM 0 HA GLU A 118 -8.726 16.129 -13.169 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.891 17.042 -14.055 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.925 18.210 -12.749 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.842 19.237 -13.502 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.554 17.948 -14.654 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.014 17.703 -10.346 1.00 0.00 N ATOM 1829 CA GLY A 119 -8.472 18.702 -9.436 1.00 0.00 C ATOM 1830 C GLY A 119 -9.364 19.935 -9.435 1.00 0.00 C ATOM 1831 O GLY A 119 -10.467 19.915 -9.989 1.00 0.00 O ATOM 0 H GLY A 119 -9.806 17.189 -9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.403 18.291 -8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.461 18.973 -9.739 1.00 0.00 H new