USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 462 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 29 CYS SG : rot 143:sc= -0.291 USER MOD Set 1.2: A 38 CYS SG : rot 173:sc= 1.6 USER MOD Set 1.3: A 74 CYS SG : rot -133:sc= 0.5 USER MOD Set 1.4: A 77 HIS : no HD1:sc= 1.08 K(o=2.9,f=-8.7!) USER MOD Single : A 27 GLN : amide:sc= -0.754! X(o=-0.75!,f=-0.74) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -74:sc= 0.111 USER MOD Single : A 44 ASN : amide:sc= 0.46 X(o=0.46,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0459 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.163 K(o=0.16,f=-2.4) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.221 K(o=-0.22,f=-3.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 133:sc= 0.769 (180deg=-1.23!) USER MOD Single : A 66 LYS NZ :NH3+ -141:sc= 1.28 (180deg=0.0266) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc=-0.00185 X(o=-0.0018,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.665 K(o=-0.66,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 27 -3.617 7.677 -7.022 1.00 0.00 N ATOM 48 CA GLN A 27 -3.377 9.117 -6.997 1.00 0.00 C ATOM 49 C GLN A 27 -4.430 9.791 -6.097 1.00 0.00 C ATOM 50 O GLN A 27 -5.603 9.413 -6.060 1.00 0.00 O ATOM 51 CB GLN A 27 -3.336 9.695 -8.423 1.00 0.00 C ATOM 52 CG GLN A 27 -4.632 9.491 -9.217 1.00 0.00 C ATOM 53 CD GLN A 27 -4.612 10.189 -10.568 1.00 0.00 C ATOM 54 OE1 GLN A 27 -3.669 10.113 -11.339 1.00 0.00 O ATOM 55 NE2 GLN A 27 -5.668 10.900 -10.880 1.00 0.00 N ATOM 0 HA GLN A 27 -2.397 9.324 -6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.122 10.762 -8.365 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.512 9.233 -8.967 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.797 8.424 -9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.473 9.864 -8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.453 10.959 -10.231 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.705 11.394 -11.772 1.00 0.00 H new ATOM 64 N SER A 28 -3.993 10.816 -5.380 1.00 0.00 N ATOM 65 CA SER A 28 -4.771 11.598 -4.413 1.00 0.00 C ATOM 66 C SER A 28 -4.348 13.062 -4.507 1.00 0.00 C ATOM 67 O SER A 28 -3.268 13.357 -5.036 1.00 0.00 O ATOM 68 CB SER A 28 -4.570 11.117 -2.960 1.00 0.00 C ATOM 69 OG SER A 28 -3.961 9.843 -2.868 1.00 0.00 O ATOM 0 H SER A 28 -3.032 11.148 -5.457 1.00 0.00 H new ATOM 0 HA SER A 28 -5.825 11.470 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.957 11.844 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.537 11.086 -2.458 1.00 0.00 H new ATOM 0 HG SER A 28 -3.860 9.596 -1.925 1.00 0.00 H new ATOM 75 N CYS A 29 -5.176 13.954 -3.966 1.00 0.00 N ATOM 76 CA CYS A 29 -4.899 15.378 -3.851 1.00 0.00 C ATOM 77 C CYS A 29 -3.523 15.645 -3.178 1.00 0.00 C ATOM 78 O CYS A 29 -2.946 14.782 -2.497 1.00 0.00 O ATOM 79 CB CYS A 29 -6.120 15.977 -3.112 1.00 0.00 C ATOM 80 SG CYS A 29 -6.415 17.723 -3.491 1.00 0.00 S ATOM 0 H CYS A 29 -6.086 13.694 -3.585 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.789 15.867 -4.819 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.009 15.403 -3.372 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.973 15.867 -2.038 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.695 17.945 -3.546 1.00 0.00 H new ATOM 85 N CYS A 30 -2.952 16.827 -3.403 1.00 0.00 N ATOM 86 CA CYS A 30 -1.705 17.297 -2.766 1.00 0.00 C ATOM 87 C CYS A 30 -1.848 18.666 -2.094 1.00 0.00 C ATOM 88 O CYS A 30 -0.897 19.173 -1.494 1.00 0.00 O ATOM 89 CB CYS A 30 -0.570 17.276 -3.798 1.00 0.00 C ATOM 90 SG CYS A 30 -0.598 18.709 -4.918 1.00 0.00 S ATOM 0 H CYS A 30 -3.348 17.509 -4.050 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.464 16.611 -1.954 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.387 17.249 -3.277 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.639 16.361 -4.386 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.562 18.569 -5.778 1.00 0.00 H new ATOM 96 N LEU A 31 -3.042 19.242 -2.212 1.00 0.00 N ATOM 97 CA LEU A 31 -3.417 20.487 -1.581 1.00 0.00 C ATOM 98 C LEU A 31 -3.578 20.300 -0.063 1.00 0.00 C ATOM 99 O LEU A 31 -3.781 19.194 0.448 1.00 0.00 O ATOM 100 CB LEU A 31 -4.724 20.994 -2.228 1.00 0.00 C ATOM 101 CG LEU A 31 -4.656 21.202 -3.757 1.00 0.00 C ATOM 102 CD1 LEU A 31 -6.039 21.522 -4.306 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.709 22.322 -4.169 1.00 0.00 C ATOM 0 H LEU A 31 -3.793 18.835 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.633 21.229 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.520 20.283 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.001 21.938 -1.760 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.275 20.268 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.978 21.666 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.717 20.697 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.414 22.432 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.707 22.416 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.040 23.260 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.701 22.092 -3.823 1.00 0.00 H new ATOM 115 N ILE A 32 -3.516 21.417 0.640 1.00 0.00 N ATOM 116 CA ILE A 32 -3.745 21.564 2.073 1.00 0.00 C ATOM 117 C ILE A 32 -4.656 22.775 2.202 1.00 0.00 C ATOM 118 O ILE A 32 -4.404 23.776 1.529 1.00 0.00 O ATOM 119 CB ILE A 32 -2.393 21.772 2.797 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.600 20.445 2.786 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.577 22.321 4.223 1.00 0.00 C ATOM 122 CD1 ILE A 32 -0.279 20.474 3.563 1.00 0.00 C ATOM 0 H ILE A 32 -3.289 22.308 0.198 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.202 20.685 2.528 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.822 22.529 2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.231 19.659 3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.390 20.173 1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.601 22.451 4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.089 23.282 4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.171 21.620 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.204 19.499 3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.377 21.233 3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.477 20.711 4.608 1.00 0.00 H new ATOM 134 N GLU A 33 -5.689 22.711 3.042 1.00 0.00 N ATOM 135 CA GLU A 33 -6.573 23.860 3.267 1.00 0.00 C ATOM 136 C GLU A 33 -6.733 24.137 4.763 1.00 0.00 C ATOM 137 O GLU A 33 -7.138 23.284 5.550 1.00 0.00 O ATOM 138 CB GLU A 33 -7.894 23.732 2.491 1.00 0.00 C ATOM 139 CG GLU A 33 -8.426 25.151 2.216 1.00 0.00 C ATOM 140 CD GLU A 33 -9.659 25.241 1.308 1.00 0.00 C ATOM 141 OE1 GLU A 33 -9.939 24.277 0.554 1.00 0.00 O ATOM 142 OE2 GLU A 33 -10.271 26.334 1.345 1.00 0.00 O ATOM 0 H GLU A 33 -5.936 21.879 3.578 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.103 24.751 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.735 23.197 1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.620 23.158 3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.667 25.619 3.171 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.625 25.738 1.767 1.00 0.00 H new ATOM 149 N ASP A 34 -6.301 25.339 5.149 1.00 0.00 N ATOM 150 CA ASP A 34 -6.172 25.865 6.523 1.00 0.00 C ATOM 151 C ASP A 34 -5.335 24.993 7.493 1.00 0.00 C ATOM 152 O ASP A 34 -5.198 25.312 8.673 1.00 0.00 O ATOM 153 CB ASP A 34 -7.549 26.289 7.090 1.00 0.00 C ATOM 154 CG ASP A 34 -7.621 27.764 7.525 1.00 0.00 C ATOM 155 OD1 ASP A 34 -6.683 28.563 7.307 1.00 0.00 O ATOM 156 OD2 ASP A 34 -8.710 28.229 7.943 1.00 0.00 O ATOM 0 H ASP A 34 -6.007 26.030 4.459 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.563 26.765 6.437 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.313 26.106 6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.788 25.657 7.945 1.00 0.00 H new ATOM 161 N GLY A 35 -4.741 23.911 6.982 1.00 0.00 N ATOM 162 CA GLY A 35 -3.850 22.971 7.666 1.00 0.00 C ATOM 163 C GLY A 35 -4.292 21.516 7.507 1.00 0.00 C ATOM 164 O GLY A 35 -3.470 20.614 7.662 1.00 0.00 O ATOM 0 H GLY A 35 -4.881 23.650 6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.839 23.084 7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.810 23.220 8.726 1.00 0.00 H new ATOM 168 N GLU A 36 -5.564 21.280 7.173 1.00 0.00 N ATOM 169 CA GLU A 36 -6.070 19.943 6.865 1.00 0.00 C ATOM 170 C GLU A 36 -5.406 19.415 5.586 1.00 0.00 C ATOM 171 O GLU A 36 -5.289 20.133 4.586 1.00 0.00 O ATOM 172 CB GLU A 36 -7.599 19.996 6.711 1.00 0.00 C ATOM 173 CG GLU A 36 -8.244 18.636 6.364 1.00 0.00 C ATOM 174 CD GLU A 36 -7.962 17.531 7.398 1.00 0.00 C ATOM 175 OE1 GLU A 36 -6.803 17.051 7.450 1.00 0.00 O ATOM 176 OE2 GLU A 36 -8.905 17.164 8.134 1.00 0.00 O ATOM 0 H GLU A 36 -6.271 22.012 7.109 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.827 19.261 7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.035 20.367 7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.850 20.715 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.322 18.769 6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.880 18.310 5.390 1.00 0.00 H new ATOM 183 N ARG A 37 -4.989 18.144 5.593 1.00 0.00 N ATOM 184 CA ARG A 37 -4.363 17.493 4.438 1.00 0.00 C ATOM 185 C ARG A 37 -5.441 16.832 3.590 1.00 0.00 C ATOM 186 O ARG A 37 -5.895 15.733 3.893 1.00 0.00 O ATOM 187 CB ARG A 37 -3.281 16.517 4.926 1.00 0.00 C ATOM 188 CG ARG A 37 -2.609 15.684 3.821 1.00 0.00 C ATOM 189 CD ARG A 37 -2.108 16.497 2.618 1.00 0.00 C ATOM 190 NE ARG A 37 -1.224 15.691 1.754 1.00 0.00 N ATOM 191 CZ ARG A 37 -1.539 14.953 0.709 1.00 0.00 C ATOM 192 NH1 ARG A 37 -2.744 14.726 0.288 1.00 0.00 N ATOM 193 NH2 ARG A 37 -0.594 14.402 0.019 1.00 0.00 N ATOM 0 H ARG A 37 -5.077 17.535 6.406 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.862 18.221 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.512 17.084 5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.727 15.837 5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.766 15.144 4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.318 14.936 3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.959 16.854 2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.571 17.378 2.970 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.234 15.707 1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.541 15.133 0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.895 14.140 -0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.380 14.541 0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.823 13.828 -0.792 1.00 0.00 H new ATOM 207 N CYS A 38 -5.822 17.488 2.497 1.00 0.00 N ATOM 208 CA CYS A 38 -6.796 16.951 1.554 1.00 0.00 C ATOM 209 C CYS A 38 -6.338 15.592 0.993 1.00 0.00 C ATOM 210 O CYS A 38 -5.332 15.503 0.289 1.00 0.00 O ATOM 211 CB CYS A 38 -7.036 17.997 0.459 1.00 0.00 C ATOM 212 SG CYS A 38 -8.536 17.506 -0.417 1.00 0.00 S ATOM 0 H CYS A 38 -5.463 18.408 2.241 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.742 16.755 2.059 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.150 18.991 0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.188 18.043 -0.224 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.872 18.438 -1.258 1.00 0.00 H new ATOM 217 N VAL A 39 -7.055 14.517 1.323 1.00 0.00 N ATOM 218 CA VAL A 39 -6.721 13.126 0.943 1.00 0.00 C ATOM 219 C VAL A 39 -7.761 12.506 0.011 1.00 0.00 C ATOM 220 O VAL A 39 -7.782 11.294 -0.197 1.00 0.00 O ATOM 221 CB VAL A 39 -6.435 12.236 2.170 1.00 0.00 C ATOM 222 CG1 VAL A 39 -5.072 12.586 2.766 1.00 0.00 C ATOM 223 CG2 VAL A 39 -7.525 12.337 3.246 1.00 0.00 C ATOM 0 H VAL A 39 -7.909 14.582 1.877 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.793 13.181 0.374 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.431 11.204 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.880 11.952 3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.296 12.424 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.067 13.632 3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.270 11.689 4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.599 13.368 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.481 12.026 2.825 1.00 0.00 H new ATOM 233 N ARG A 40 -8.632 13.332 -0.577 1.00 0.00 N ATOM 234 CA ARG A 40 -9.591 12.878 -1.588 1.00 0.00 C ATOM 235 C ARG A 40 -8.859 12.244 -2.789 1.00 0.00 C ATOM 236 O ARG A 40 -7.741 12.667 -3.122 1.00 0.00 O ATOM 237 CB ARG A 40 -10.470 14.048 -2.045 1.00 0.00 C ATOM 238 CG ARG A 40 -11.542 14.442 -1.022 1.00 0.00 C ATOM 239 CD ARG A 40 -12.557 15.423 -1.628 1.00 0.00 C ATOM 240 NE ARG A 40 -13.376 14.828 -2.710 1.00 0.00 N ATOM 241 CZ ARG A 40 -14.409 14.019 -2.602 1.00 0.00 C ATOM 242 NH1 ARG A 40 -14.735 13.500 -1.453 1.00 0.00 N ATOM 243 NH2 ARG A 40 -15.126 13.709 -3.641 1.00 0.00 N ATOM 0 H ARG A 40 -8.692 14.328 -0.367 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.231 12.116 -1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.836 14.912 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.955 13.783 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.060 13.549 -0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.068 14.897 -0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.217 15.785 -0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.024 16.289 -2.020 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.104 15.077 -3.661 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.187 13.719 -0.621 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.538 12.875 -1.385 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.891 14.094 -4.556 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.923 13.081 -3.541 1.00 0.00 H new ATOM 257 N PRO A 41 -9.480 11.252 -3.459 1.00 0.00 N ATOM 258 CA PRO A 41 -8.913 10.633 -4.650 1.00 0.00 C ATOM 259 C PRO A 41 -8.790 11.671 -5.768 1.00 0.00 C ATOM 260 O PRO A 41 -9.738 12.404 -6.046 1.00 0.00 O ATOM 261 CB PRO A 41 -9.878 9.505 -5.027 1.00 0.00 C ATOM 262 CG PRO A 41 -11.221 9.972 -4.464 1.00 0.00 C ATOM 263 CD PRO A 41 -10.819 10.732 -3.202 1.00 0.00 C ATOM 0 HA PRO A 41 -7.910 10.241 -4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.925 9.362 -6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.571 8.554 -4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.753 10.612 -5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.878 9.132 -4.237 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.519 11.541 -2.993 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.823 10.075 -2.332 1.00 0.00 H new ATOM 271 N ALA A 42 -7.632 11.725 -6.421 1.00 0.00 N ATOM 272 CA ALA A 42 -7.440 12.603 -7.572 1.00 0.00 C ATOM 273 C ALA A 42 -7.952 11.920 -8.846 1.00 0.00 C ATOM 274 O ALA A 42 -7.848 10.703 -8.990 1.00 0.00 O ATOM 275 CB ALA A 42 -5.963 12.984 -7.690 1.00 0.00 C ATOM 0 H ALA A 42 -6.812 11.171 -6.173 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.014 13.519 -7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.824 13.639 -8.550 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.647 13.502 -6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.364 12.083 -7.820 1.00 0.00 H new ATOM 281 N GLY A 43 -8.421 12.703 -9.817 1.00 0.00 N ATOM 282 CA GLY A 43 -8.950 12.195 -11.093 1.00 0.00 C ATOM 283 C GLY A 43 -8.304 12.888 -12.290 1.00 0.00 C ATOM 284 O GLY A 43 -7.095 13.120 -12.308 1.00 0.00 O ATOM 0 H GLY A 43 -8.447 13.720 -9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.776 11.121 -11.157 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.029 12.345 -11.125 1.00 0.00 H new ATOM 288 N ASN A 44 -9.102 13.248 -13.298 1.00 0.00 N ATOM 289 CA ASN A 44 -8.650 14.051 -14.446 1.00 0.00 C ATOM 290 C ASN A 44 -8.570 15.546 -14.036 1.00 0.00 C ATOM 291 O ASN A 44 -9.124 16.433 -14.692 1.00 0.00 O ATOM 292 CB ASN A 44 -9.544 13.750 -15.667 1.00 0.00 C ATOM 293 CG ASN A 44 -8.874 14.078 -16.994 1.00 0.00 C ATOM 294 OD1 ASN A 44 -8.508 13.205 -17.755 1.00 0.00 O ATOM 295 ND2 ASN A 44 -8.704 15.335 -17.321 1.00 0.00 N ATOM 0 H ASN A 44 -10.088 12.991 -13.345 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.639 13.782 -14.752 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.819 12.695 -15.657 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.468 14.322 -15.583 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.266 15.576 -18.210 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.009 16.073 -16.686 1.00 0.00 H new ATOM 302 N ALA A 45 -7.942 15.791 -12.882 1.00 0.00 N ATOM 303 CA ALA A 45 -7.677 17.072 -12.247 1.00 0.00 C ATOM 304 C ALA A 45 -6.247 17.015 -11.690 1.00 0.00 C ATOM 305 O ALA A 45 -5.858 16.091 -10.974 1.00 0.00 O ATOM 306 CB ALA A 45 -8.715 17.353 -11.145 1.00 0.00 C ATOM 0 H ALA A 45 -7.575 15.021 -12.322 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.760 17.891 -12.961 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.501 18.316 -10.681 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.713 17.375 -11.582 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.667 16.568 -10.391 1.00 0.00 H new ATOM 312 N SER A 46 -5.448 18.006 -12.058 1.00 0.00 N ATOM 313 CA SER A 46 -4.048 18.144 -11.653 1.00 0.00 C ATOM 314 C SER A 46 -3.733 19.614 -11.390 1.00 0.00 C ATOM 315 O SER A 46 -4.511 20.507 -11.730 1.00 0.00 O ATOM 316 CB SER A 46 -3.082 17.529 -12.689 1.00 0.00 C ATOM 317 OG SER A 46 -3.587 17.575 -14.014 1.00 0.00 O ATOM 0 H SER A 46 -5.762 18.762 -12.666 1.00 0.00 H new ATOM 0 HA SER A 46 -3.900 17.584 -10.730 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.131 18.060 -12.650 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.880 16.492 -12.419 1.00 0.00 H new ATOM 0 HG SER A 46 -2.935 17.175 -14.627 1.00 0.00 H new ATOM 323 N PHE A 47 -2.607 19.873 -10.730 1.00 0.00 N ATOM 324 CA PHE A 47 -2.134 21.221 -10.437 1.00 0.00 C ATOM 325 C PHE A 47 -1.199 21.725 -11.550 1.00 0.00 C ATOM 326 O PHE A 47 -0.621 20.947 -12.310 1.00 0.00 O ATOM 327 CB PHE A 47 -1.495 21.230 -9.037 1.00 0.00 C ATOM 328 CG PHE A 47 -1.526 22.575 -8.341 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.769 23.134 -7.992 1.00 0.00 C ATOM 330 CD2 PHE A 47 -0.335 23.226 -7.965 1.00 0.00 C ATOM 331 CE1 PHE A 47 -2.822 24.334 -7.271 1.00 0.00 C ATOM 332 CE2 PHE A 47 -0.393 24.436 -7.245 1.00 0.00 C ATOM 333 CZ PHE A 47 -1.637 24.988 -6.898 1.00 0.00 C ATOM 0 H PHE A 47 -1.989 19.141 -10.379 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.966 21.925 -10.420 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.009 20.500 -8.412 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.459 20.903 -9.122 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.684 22.637 -8.280 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.621 22.799 -8.228 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.778 24.758 -7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.519 24.939 -6.960 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.682 25.915 -6.345 1.00 0.00 H new ATOM 343 N SER A 48 -1.047 23.043 -11.694 1.00 0.00 N ATOM 344 CA SER A 48 -0.188 23.609 -12.744 1.00 0.00 C ATOM 345 C SER A 48 0.241 25.039 -12.442 1.00 0.00 C ATOM 346 O SER A 48 -0.479 25.798 -11.786 1.00 0.00 O ATOM 347 CB SER A 48 -0.917 23.645 -14.096 1.00 0.00 C ATOM 348 OG SER A 48 -1.538 22.443 -14.477 1.00 0.00 O ATOM 0 H SER A 48 -1.503 23.737 -11.102 1.00 0.00 H new ATOM 0 HA SER A 48 0.687 22.959 -12.781 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.673 24.430 -14.062 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.201 23.925 -14.869 1.00 0.00 H new ATOM 0 HG SER A 48 -1.975 22.562 -15.346 1.00 0.00 H new ATOM 354 N LYS A 49 1.356 25.475 -13.042 1.00 0.00 N ATOM 355 CA LYS A 49 1.853 26.862 -12.956 1.00 0.00 C ATOM 356 C LYS A 49 0.797 27.922 -13.336 1.00 0.00 C ATOM 357 O LYS A 49 0.746 28.990 -12.732 1.00 0.00 O ATOM 358 CB LYS A 49 3.146 27.009 -13.794 1.00 0.00 C ATOM 359 CG LYS A 49 4.238 27.809 -13.062 1.00 0.00 C ATOM 360 CD LYS A 49 4.989 26.948 -12.029 1.00 0.00 C ATOM 361 CE LYS A 49 5.817 27.784 -11.042 1.00 0.00 C ATOM 362 NZ LYS A 49 7.035 28.370 -11.663 1.00 0.00 N ATOM 0 H LYS A 49 1.949 24.869 -13.609 1.00 0.00 H new ATOM 0 HA LYS A 49 2.083 27.058 -11.909 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.530 26.019 -14.040 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.909 27.503 -14.737 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.947 28.204 -13.789 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.786 28.665 -12.561 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.270 26.346 -11.473 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.648 26.255 -12.552 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.196 28.586 -10.643 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.110 27.158 -10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.555 28.923 -10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.644 27.607 -12.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.759 28.991 -12.451 1.00 0.00 H new ATOM 376 N ARG A 50 -0.088 27.611 -14.298 1.00 0.00 N ATOM 377 CA ARG A 50 -1.225 28.470 -14.703 1.00 0.00 C ATOM 378 C ARG A 50 -2.372 28.561 -13.685 1.00 0.00 C ATOM 379 O ARG A 50 -3.087 29.558 -13.695 1.00 0.00 O ATOM 380 CB ARG A 50 -1.731 28.080 -16.108 1.00 0.00 C ATOM 381 CG ARG A 50 -2.413 26.702 -16.192 1.00 0.00 C ATOM 382 CD ARG A 50 -2.687 26.260 -17.640 1.00 0.00 C ATOM 383 NE ARG A 50 -3.774 27.019 -18.298 1.00 0.00 N ATOM 384 CZ ARG A 50 -4.261 26.783 -19.509 1.00 0.00 C ATOM 385 NH1 ARG A 50 -3.818 25.808 -20.253 1.00 0.00 N ATOM 386 NH2 ARG A 50 -5.245 27.495 -19.985 1.00 0.00 N ATOM 0 H ARG A 50 -0.037 26.741 -14.828 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.823 29.483 -14.737 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.435 28.839 -16.448 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.888 28.095 -16.799 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.783 25.959 -15.703 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.354 26.733 -15.642 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.773 26.371 -18.224 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.941 25.200 -17.645 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.185 27.792 -17.774 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.075 25.200 -19.908 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.214 25.653 -21.180 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.650 28.245 -19.424 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.609 27.302 -20.918 1.00 0.00 H new ATOM 400 N VAL A 51 -2.539 27.568 -12.808 1.00 0.00 N ATOM 401 CA VAL A 51 -3.559 27.550 -11.739 1.00 0.00 C ATOM 402 C VAL A 51 -3.085 28.360 -10.524 1.00 0.00 C ATOM 403 O VAL A 51 -3.849 29.152 -9.975 1.00 0.00 O ATOM 404 CB VAL A 51 -3.908 26.095 -11.340 1.00 0.00 C ATOM 405 CG1 VAL A 51 -5.030 26.053 -10.304 1.00 0.00 C ATOM 406 CG2 VAL A 51 -4.384 25.278 -12.552 1.00 0.00 C ATOM 0 H VAL A 51 -1.958 26.730 -12.816 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.466 28.019 -12.121 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.993 25.669 -10.929 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.249 25.017 -10.047 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.719 26.591 -9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.924 26.521 -10.716 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.620 24.262 -12.236 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.274 25.742 -12.977 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.596 25.250 -13.304 1.00 0.00 H new ATOM 416 N GLN A 52 -1.799 28.256 -10.172 1.00 0.00 N ATOM 417 CA GLN A 52 -1.157 29.005 -9.078 1.00 0.00 C ATOM 418 C GLN A 52 -1.396 30.526 -9.147 1.00 0.00 C ATOM 419 O GLN A 52 -1.623 31.168 -8.120 1.00 0.00 O ATOM 420 CB GLN A 52 0.350 28.699 -9.105 1.00 0.00 C ATOM 421 CG GLN A 52 0.677 27.252 -8.703 1.00 0.00 C ATOM 422 CD GLN A 52 2.099 26.803 -9.051 1.00 0.00 C ATOM 423 OE1 GLN A 52 2.926 27.523 -9.593 1.00 0.00 O ATOM 424 NE2 GLN A 52 2.426 25.555 -8.782 1.00 0.00 N ATOM 0 H GLN A 52 -1.153 27.630 -10.653 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.610 28.680 -8.141 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.735 28.888 -10.107 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.866 29.383 -8.431 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.528 27.144 -7.629 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.032 26.583 -9.192 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.752 24.937 -8.330 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.353 25.207 -9.025 1.00 0.00 H new ATOM 433 N LYS A 53 -1.419 31.110 -10.357 1.00 0.00 N ATOM 434 CA LYS A 53 -1.732 32.534 -10.579 1.00 0.00 C ATOM 435 C LYS A 53 -3.121 32.950 -10.081 1.00 0.00 C ATOM 436 O LYS A 53 -3.282 34.065 -9.597 1.00 0.00 O ATOM 437 CB LYS A 53 -1.616 32.873 -12.076 1.00 0.00 C ATOM 438 CG LYS A 53 -0.215 32.741 -12.694 1.00 0.00 C ATOM 439 CD LYS A 53 0.851 33.531 -11.918 1.00 0.00 C ATOM 440 CE LYS A 53 2.131 33.748 -12.742 1.00 0.00 C ATOM 441 NZ LYS A 53 1.982 34.847 -13.736 1.00 0.00 N ATOM 0 H LYS A 53 -1.219 30.602 -11.219 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.003 33.093 -9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.297 32.225 -12.628 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.961 33.897 -12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.068 31.689 -12.723 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.243 33.092 -13.726 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.442 34.498 -11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.098 32.998 -11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.958 33.978 -12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.388 32.824 -13.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.869 34.957 -14.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.210 34.618 -14.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.763 35.735 -13.241 1.00 0.00 H new ATOM 455 N SER A 54 -4.107 32.057 -10.201 1.00 0.00 N ATOM 456 CA SER A 54 -5.498 32.282 -9.766 1.00 0.00 C ATOM 457 C SER A 54 -5.595 32.344 -8.238 1.00 0.00 C ATOM 458 O SER A 54 -6.185 33.266 -7.682 1.00 0.00 O ATOM 459 CB SER A 54 -6.408 31.171 -10.325 1.00 0.00 C ATOM 460 OG SER A 54 -7.730 31.660 -10.491 1.00 0.00 O ATOM 0 H SER A 54 -3.962 31.135 -10.612 1.00 0.00 H new ATOM 0 HA SER A 54 -5.832 33.243 -10.158 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.020 30.819 -11.281 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.410 30.317 -9.648 1.00 0.00 H new ATOM 0 HG SER A 54 -8.300 30.947 -10.848 1.00 0.00 H new ATOM 466 N ILE A 55 -4.959 31.378 -7.565 1.00 0.00 N ATOM 467 CA ILE A 55 -4.979 31.200 -6.104 1.00 0.00 C ATOM 468 C ILE A 55 -4.192 32.325 -5.410 1.00 0.00 C ATOM 469 O ILE A 55 -4.694 32.981 -4.498 1.00 0.00 O ATOM 470 CB ILE A 55 -4.368 29.823 -5.747 1.00 0.00 C ATOM 471 CG1 ILE A 55 -5.084 28.665 -6.484 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.441 29.553 -4.236 1.00 0.00 C ATOM 473 CD1 ILE A 55 -4.289 27.364 -6.416 1.00 0.00 C ATOM 0 H ILE A 55 -4.395 30.672 -8.038 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.011 31.242 -5.755 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.326 29.862 -6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.070 28.511 -6.045 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.239 28.941 -7.527 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.004 28.578 -4.019 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.889 30.326 -3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.482 29.563 -3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.829 26.579 -6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.313 27.509 -6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.156 27.073 -5.374 1.00 0.00 H new ATOM 485 N SER A 56 -2.965 32.583 -5.877 1.00 0.00 N ATOM 486 CA SER A 56 -2.037 33.541 -5.268 1.00 0.00 C ATOM 487 C SER A 56 -2.558 34.982 -5.301 1.00 0.00 C ATOM 488 O SER A 56 -2.565 35.649 -4.267 1.00 0.00 O ATOM 489 CB SER A 56 -0.694 33.452 -5.991 1.00 0.00 C ATOM 490 OG SER A 56 0.311 34.130 -5.269 1.00 0.00 O ATOM 0 H SER A 56 -2.583 32.123 -6.704 1.00 0.00 H new ATOM 0 HA SER A 56 -1.929 33.277 -4.216 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.413 32.406 -6.119 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.784 33.882 -6.989 1.00 0.00 H new ATOM 0 HG SER A 56 1.163 34.059 -5.749 1.00 0.00 H new ATOM 496 N GLN A 57 -3.102 35.423 -6.446 1.00 0.00 N ATOM 497 CA GLN A 57 -3.730 36.743 -6.624 1.00 0.00 C ATOM 498 C GLN A 57 -5.046 36.908 -5.827 1.00 0.00 C ATOM 499 O GLN A 57 -5.654 37.975 -5.837 1.00 0.00 O ATOM 500 CB GLN A 57 -3.932 36.967 -8.138 1.00 0.00 C ATOM 501 CG GLN A 57 -4.212 38.408 -8.611 1.00 0.00 C ATOM 502 CD GLN A 57 -3.005 39.343 -8.510 1.00 0.00 C ATOM 503 OE1 GLN A 57 -2.253 39.347 -7.553 1.00 0.00 O ATOM 504 NE2 GLN A 57 -2.743 40.164 -9.505 1.00 0.00 N ATOM 0 H GLN A 57 -3.118 34.858 -7.295 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.071 37.509 -6.215 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.040 36.611 -8.653 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.761 36.338 -8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.551 38.380 -9.647 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.029 38.821 -8.019 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.353 40.186 -10.322 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.930 40.778 -9.459 1.00 0.00 H new ATOM 513 N LYS A 58 -5.498 35.846 -5.146 1.00 0.00 N ATOM 514 CA LYS A 58 -6.661 35.813 -4.235 1.00 0.00 C ATOM 515 C LYS A 58 -6.267 35.547 -2.778 1.00 0.00 C ATOM 516 O LYS A 58 -7.115 35.639 -1.898 1.00 0.00 O ATOM 517 CB LYS A 58 -7.636 34.715 -4.706 1.00 0.00 C ATOM 518 CG LYS A 58 -8.701 35.165 -5.707 1.00 0.00 C ATOM 519 CD LYS A 58 -8.202 36.034 -6.867 1.00 0.00 C ATOM 520 CE LYS A 58 -9.304 36.189 -7.916 1.00 0.00 C ATOM 521 NZ LYS A 58 -8.984 37.275 -8.870 1.00 0.00 N ATOM 0 H LYS A 58 -5.041 34.937 -5.216 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.130 36.796 -4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.057 33.908 -5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.137 34.299 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.180 34.278 -6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.469 35.719 -5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.902 37.014 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.320 35.580 -7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.430 35.251 -8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.252 36.402 -7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.748 37.358 -9.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.888 38.173 -8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.091 37.058 -9.356 1.00 0.00 H new ATOM 535 N LYS A 59 -4.997 35.205 -2.533 1.00 0.00 N ATOM 536 CA LYS A 59 -4.422 34.805 -1.235 1.00 0.00 C ATOM 537 C LYS A 59 -5.267 33.744 -0.499 1.00 0.00 C ATOM 538 O LYS A 59 -5.427 33.804 0.716 1.00 0.00 O ATOM 539 CB LYS A 59 -4.140 36.072 -0.398 1.00 0.00 C ATOM 540 CG LYS A 59 -3.022 35.895 0.649 1.00 0.00 C ATOM 541 CD LYS A 59 -1.598 35.934 0.069 1.00 0.00 C ATOM 542 CE LYS A 59 -1.227 37.347 -0.402 1.00 0.00 C ATOM 543 NZ LYS A 59 0.173 37.409 -0.890 1.00 0.00 N ATOM 0 H LYS A 59 -4.299 35.198 -3.276 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.473 34.297 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.869 36.886 -1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.057 36.370 0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.117 36.679 1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.167 34.944 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.886 35.601 0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.524 35.238 -0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.905 37.656 -1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.358 38.051 0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.390 38.378 -1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.820 37.138 -0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.291 36.755 -1.690 1.00 0.00 H new ATOM 557 N LEU A 60 -5.832 32.786 -1.243 1.00 0.00 N ATOM 558 CA LEU A 60 -6.571 31.652 -0.671 1.00 0.00 C ATOM 559 C LEU A 60 -5.684 30.809 0.268 1.00 0.00 C ATOM 560 O LEU A 60 -4.477 30.695 0.065 1.00 0.00 O ATOM 561 CB LEU A 60 -7.142 30.771 -1.802 1.00 0.00 C ATOM 562 CG LEU A 60 -8.438 31.280 -2.458 1.00 0.00 C ATOM 563 CD1 LEU A 60 -8.793 30.401 -3.660 1.00 0.00 C ATOM 564 CD2 LEU A 60 -9.625 31.253 -1.496 1.00 0.00 C ATOM 0 H LEU A 60 -5.790 32.774 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.392 32.053 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.381 30.668 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.327 29.774 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.252 32.311 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.711 30.767 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.983 30.437 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.938 29.373 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.515 31.621 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.797 30.231 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.411 31.888 -0.636 1.00 0.00 H new ATOM 576 N LYS A 61 -6.328 30.178 1.256 1.00 0.00 N ATOM 577 CA LYS A 61 -5.770 29.296 2.306 1.00 0.00 C ATOM 578 C LYS A 61 -5.257 27.929 1.790 1.00 0.00 C ATOM 579 O LYS A 61 -5.284 26.953 2.536 1.00 0.00 O ATOM 580 CB LYS A 61 -6.894 29.039 3.336 1.00 0.00 C ATOM 581 CG LYS A 61 -7.460 30.286 4.029 1.00 0.00 C ATOM 582 CD LYS A 61 -8.736 29.904 4.798 1.00 0.00 C ATOM 583 CE LYS A 61 -9.081 30.909 5.904 1.00 0.00 C ATOM 584 NZ LYS A 61 -8.161 30.761 7.055 1.00 0.00 N ATOM 0 H LYS A 61 -7.338 30.274 1.357 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.903 29.804 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.712 28.523 2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.513 28.362 4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.721 30.704 4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.683 31.057 3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.570 29.837 4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.608 28.915 5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.019 31.924 5.511 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.109 30.756 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.818 31.698 7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.665 30.313 7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.353 30.167 6.779 1.00 0.00 H new ATOM 598 N LEU A 62 -4.832 27.857 0.528 1.00 0.00 N ATOM 599 CA LEU A 62 -4.475 26.625 -0.184 1.00 0.00 C ATOM 600 C LEU A 62 -2.954 26.467 -0.387 1.00 0.00 C ATOM 601 O LEU A 62 -2.370 27.181 -1.204 1.00 0.00 O ATOM 602 CB LEU A 62 -5.271 26.615 -1.513 1.00 0.00 C ATOM 603 CG LEU A 62 -5.713 25.237 -2.020 1.00 0.00 C ATOM 604 CD1 LEU A 62 -6.748 24.569 -1.121 1.00 0.00 C ATOM 605 CD2 LEU A 62 -6.354 25.416 -3.403 1.00 0.00 C ATOM 0 H LEU A 62 -4.722 28.689 -0.052 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.747 25.756 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.158 27.236 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.660 27.085 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.826 24.604 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.018 23.598 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.330 24.434 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.637 25.197 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.676 24.446 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.216 26.078 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.626 25.850 -4.088 1.00 0.00 H new ATOM 617 N ASP A 63 -2.332 25.522 0.328 1.00 0.00 N ATOM 618 CA ASP A 63 -0.884 25.228 0.257 1.00 0.00 C ATOM 619 C ASP A 63 -0.593 23.867 -0.420 1.00 0.00 C ATOM 620 O ASP A 63 -1.512 23.161 -0.837 1.00 0.00 O ATOM 621 CB ASP A 63 -0.198 25.403 1.631 1.00 0.00 C ATOM 622 CG ASP A 63 1.231 25.980 1.494 1.00 0.00 C ATOM 623 OD1 ASP A 63 2.099 25.304 0.880 1.00 0.00 O ATOM 624 OD2 ASP A 63 1.462 27.111 1.967 1.00 0.00 O ATOM 0 H ASP A 63 -2.827 24.923 0.989 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.429 25.972 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.798 26.065 2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.153 24.440 2.140 1.00 0.00 H new ATOM 629 N ILE A 64 0.683 23.476 -0.534 1.00 0.00 N ATOM 630 CA ILE A 64 1.153 22.301 -1.283 1.00 0.00 C ATOM 631 C ILE A 64 2.076 21.383 -0.472 1.00 0.00 C ATOM 632 O ILE A 64 3.194 21.765 -0.105 1.00 0.00 O ATOM 633 CB ILE A 64 1.895 22.784 -2.559 1.00 0.00 C ATOM 634 CG1 ILE A 64 1.061 23.723 -3.462 1.00 0.00 C ATOM 635 CG2 ILE A 64 2.414 21.583 -3.373 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.178 23.066 -4.070 1.00 0.00 C ATOM 0 H ILE A 64 1.446 23.988 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 64 0.273 21.709 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 64 2.734 23.380 -2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.750 24.589 -2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.695 24.093 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.931 21.943 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.105 21.001 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.574 20.955 -3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.707 23.790 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.124 22.217 -4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.836 22.721 -3.272 1.00 0.00 H new ATOM 648 N ASP A 65 1.664 20.129 -0.287 1.00 0.00 N ATOM 649 CA ASP A 65 2.467 19.081 0.351 1.00 0.00 C ATOM 650 C ASP A 65 3.798 18.824 -0.405 1.00 0.00 C ATOM 651 O ASP A 65 3.846 18.615 -1.623 1.00 0.00 O ATOM 652 CB ASP A 65 1.571 17.837 0.480 1.00 0.00 C ATOM 653 CG ASP A 65 2.230 16.603 1.102 1.00 0.00 C ATOM 654 OD1 ASP A 65 3.452 16.605 1.352 1.00 0.00 O ATOM 655 OD2 ASP A 65 1.519 15.582 1.224 1.00 0.00 O ATOM 0 H ASP A 65 0.743 19.804 -0.582 1.00 0.00 H new ATOM 0 HA ASP A 65 2.790 19.389 1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.699 18.101 1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.207 17.570 -0.512 1.00 0.00 H new ATOM 660 N LYS A 66 4.917 18.851 0.332 1.00 0.00 N ATOM 661 CA LYS A 66 6.279 18.676 -0.197 1.00 0.00 C ATOM 662 C LYS A 66 6.805 17.240 -0.055 1.00 0.00 C ATOM 663 O LYS A 66 7.870 16.953 -0.603 1.00 0.00 O ATOM 664 CB LYS A 66 7.228 19.692 0.468 1.00 0.00 C ATOM 665 CG LYS A 66 6.794 21.167 0.339 1.00 0.00 C ATOM 666 CD LYS A 66 6.752 21.698 -1.103 1.00 0.00 C ATOM 667 CE LYS A 66 6.449 23.210 -1.165 1.00 0.00 C ATOM 668 NZ LYS A 66 5.148 23.582 -0.535 1.00 0.00 N ATOM 0 H LYS A 66 4.900 18.999 1.341 1.00 0.00 H new ATOM 0 HA LYS A 66 6.239 18.866 -1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.317 19.446 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.220 19.581 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.805 21.281 0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.478 21.785 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.709 21.502 -1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.993 21.155 -1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.253 23.754 -0.669 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.444 23.529 -2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.686 24.320 -1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.533 22.745 -0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.318 23.940 0.426 1.00 0.00 H new ATOM 682 N SER A 67 6.085 16.354 0.631 1.00 0.00 N ATOM 683 CA SER A 67 6.400 14.926 0.747 1.00 0.00 C ATOM 684 C SER A 67 5.978 14.181 -0.525 1.00 0.00 C ATOM 685 O SER A 67 6.838 13.702 -1.257 1.00 0.00 O ATOM 686 CB SER A 67 5.708 14.345 1.988 1.00 0.00 C ATOM 687 OG SER A 67 6.244 13.067 2.254 1.00 0.00 O ATOM 0 H SER A 67 5.240 16.615 1.138 1.00 0.00 H new ATOM 0 HA SER A 67 7.477 14.801 0.862 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.857 15.002 2.845 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.633 14.276 1.822 1.00 0.00 H new ATOM 0 HG SER A 67 5.809 12.688 3.046 1.00 0.00 H new ATOM 693 N VAL A 68 4.684 14.203 -0.893 1.00 0.00 N ATOM 694 CA VAL A 68 4.176 13.542 -2.126 1.00 0.00 C ATOM 695 C VAL A 68 4.737 14.106 -3.436 1.00 0.00 C ATOM 696 O VAL A 68 4.590 13.469 -4.476 1.00 0.00 O ATOM 697 CB VAL A 68 2.633 13.549 -2.209 1.00 0.00 C ATOM 698 CG1 VAL A 68 2.027 12.702 -1.089 1.00 0.00 C ATOM 699 CG2 VAL A 68 2.046 14.968 -2.185 1.00 0.00 C ATOM 0 H VAL A 68 3.959 14.675 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 68 4.541 12.520 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 68 2.369 13.110 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.940 12.721 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.379 11.674 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.329 13.106 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.959 14.913 -2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.333 15.465 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.429 15.534 -3.034 1.00 0.00 H new ATOM 709 N ARG A 69 5.321 15.315 -3.389 1.00 0.00 N ATOM 710 CA ARG A 69 5.993 16.085 -4.465 1.00 0.00 C ATOM 711 C ARG A 69 5.306 16.102 -5.851 1.00 0.00 C ATOM 712 O ARG A 69 5.913 16.510 -6.835 1.00 0.00 O ATOM 713 CB ARG A 69 7.471 15.617 -4.519 1.00 0.00 C ATOM 714 CG ARG A 69 8.497 16.610 -5.106 1.00 0.00 C ATOM 715 CD ARG A 69 8.629 17.930 -4.331 1.00 0.00 C ATOM 716 NE ARG A 69 9.142 17.707 -2.963 1.00 0.00 N ATOM 717 CZ ARG A 69 10.354 17.936 -2.490 1.00 0.00 C ATOM 718 NH1 ARG A 69 11.287 18.516 -3.193 1.00 0.00 N ATOM 719 NH2 ARG A 69 10.647 17.560 -1.279 1.00 0.00 N ATOM 0 H ARG A 69 5.339 15.835 -2.512 1.00 0.00 H new ATOM 0 HA ARG A 69 5.920 17.139 -4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.784 15.365 -3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.515 14.698 -5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.473 16.125 -5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.217 16.835 -6.135 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.299 18.602 -4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.658 18.422 -4.281 1.00 0.00 H new ATOM 0 HE ARG A 69 8.471 17.326 -2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.094 18.813 -4.150 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.209 18.673 -2.786 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.944 17.094 -0.706 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.580 17.732 -0.903 1.00 0.00 H new ATOM 733 N HIS A 70 4.021 15.739 -5.943 1.00 0.00 N ATOM 734 CA HIS A 70 3.266 15.574 -7.195 1.00 0.00 C ATOM 735 C HIS A 70 2.219 16.675 -7.431 1.00 0.00 C ATOM 736 O HIS A 70 1.865 17.399 -6.503 1.00 0.00 O ATOM 737 CB HIS A 70 2.687 14.138 -7.233 1.00 0.00 C ATOM 738 CG HIS A 70 1.529 13.790 -6.305 1.00 0.00 C ATOM 739 ND1 HIS A 70 0.826 12.593 -6.319 1.00 0.00 N ATOM 740 CD2 HIS A 70 0.933 14.586 -5.362 1.00 0.00 C ATOM 741 CE1 HIS A 70 -0.196 12.688 -5.443 1.00 0.00 C ATOM 742 NE2 HIS A 70 -0.148 13.889 -4.845 1.00 0.00 N ATOM 0 H HIS A 70 3.455 15.544 -5.117 1.00 0.00 H new ATOM 0 HA HIS A 70 3.945 15.698 -8.039 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.363 13.939 -8.255 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.502 13.447 -7.017 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.249 15.578 -5.074 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.933 11.922 -5.254 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.795 14.230 -4.134 1.00 0.00 H new ATOM 751 N LEU A 71 1.682 16.769 -8.650 1.00 0.00 N ATOM 752 CA LEU A 71 0.751 17.826 -9.073 1.00 0.00 C ATOM 753 C LEU A 71 -0.663 17.280 -9.305 1.00 0.00 C ATOM 754 O LEU A 71 -1.216 17.436 -10.385 1.00 0.00 O ATOM 755 CB LEU A 71 1.285 18.544 -10.332 1.00 0.00 C ATOM 756 CG LEU A 71 2.694 19.153 -10.225 1.00 0.00 C ATOM 757 CD1 LEU A 71 3.023 19.933 -11.499 1.00 0.00 C ATOM 758 CD2 LEU A 71 2.823 20.125 -9.049 1.00 0.00 C ATOM 0 H LEU A 71 1.885 16.098 -9.390 1.00 0.00 H new ATOM 0 HA LEU A 71 0.683 18.553 -8.264 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.282 17.833 -11.158 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.588 19.340 -10.593 1.00 0.00 H new ATOM 0 HG LEU A 71 3.380 18.319 -10.075 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.022 20.361 -11.416 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.986 19.261 -12.357 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.295 20.733 -11.634 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.836 20.526 -9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.112 20.942 -9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.613 19.599 -8.118 1.00 0.00 H new ATOM 770 N TYR A 72 -1.262 16.639 -8.305 1.00 0.00 N ATOM 771 CA TYR A 72 -2.613 16.073 -8.405 1.00 0.00 C ATOM 772 C TYR A 72 -3.559 16.760 -7.435 1.00 0.00 C ATOM 773 O TYR A 72 -3.141 17.111 -6.335 1.00 0.00 O ATOM 774 CB TYR A 72 -2.562 14.571 -8.129 1.00 0.00 C ATOM 775 CG TYR A 72 -2.129 13.800 -9.349 1.00 0.00 C ATOM 776 CD1 TYR A 72 -3.035 13.638 -10.414 1.00 0.00 C ATOM 777 CD2 TYR A 72 -0.817 13.307 -9.452 1.00 0.00 C ATOM 778 CE1 TYR A 72 -2.632 12.969 -11.581 1.00 0.00 C ATOM 779 CE2 TYR A 72 -0.420 12.608 -10.607 1.00 0.00 C ATOM 780 CZ TYR A 72 -1.328 12.436 -11.672 1.00 0.00 C ATOM 781 OH TYR A 72 -0.928 11.762 -12.779 1.00 0.00 O ATOM 0 H TYR A 72 -0.825 16.494 -7.395 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.989 16.238 -9.415 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.872 14.374 -7.309 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.545 14.225 -7.809 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.039 14.028 -10.334 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.115 13.464 -8.646 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.319 12.862 -12.408 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.579 12.204 -10.678 1.00 0.00 H new ATOM 0 HH TYR A 72 0.000 11.468 -12.666 1.00 0.00 H new ATOM 791 N ILE A 73 -4.821 16.916 -7.838 1.00 0.00 N ATOM 792 CA ILE A 73 -5.896 17.476 -7.009 1.00 0.00 C ATOM 793 C ILE A 73 -7.161 16.621 -7.157 1.00 0.00 C ATOM 794 O ILE A 73 -7.326 15.893 -8.140 1.00 0.00 O ATOM 795 CB ILE A 73 -6.180 18.973 -7.315 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.977 19.191 -8.622 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.878 19.799 -7.309 1.00 0.00 C ATOM 798 CD1 ILE A 73 -7.299 20.660 -8.934 1.00 0.00 C ATOM 0 H ILE A 73 -5.134 16.651 -8.772 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.563 17.446 -5.972 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.820 19.331 -6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.409 18.772 -9.453 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.911 18.633 -8.561 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.108 20.842 -7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.406 19.728 -6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.198 19.412 -8.068 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.859 20.719 -9.867 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.896 21.081 -8.125 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.371 21.223 -9.031 1.00 0.00 H new ATOM 810 N CYS A 74 -8.072 16.743 -6.200 1.00 0.00 N ATOM 811 CA CYS A 74 -9.379 16.102 -6.228 1.00 0.00 C ATOM 812 C CYS A 74 -10.454 16.892 -6.998 1.00 0.00 C ATOM 813 O CYS A 74 -10.282 18.049 -7.397 1.00 0.00 O ATOM 814 CB CYS A 74 -9.776 15.781 -4.782 1.00 0.00 C ATOM 815 SG CYS A 74 -10.101 17.269 -3.804 1.00 0.00 S ATOM 0 H CYS A 74 -7.918 17.304 -5.362 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.306 15.178 -6.802 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.665 15.151 -4.784 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -8.979 15.207 -4.309 1.00 0.00 H new ATOM 0 HG CYS A 74 -9.484 17.182 -2.663 1.00 0.00 H new ATOM 820 N ASP A 75 -11.585 16.225 -7.204 1.00 0.00 N ATOM 821 CA ASP A 75 -12.796 16.777 -7.802 1.00 0.00 C ATOM 822 C ASP A 75 -13.335 18.001 -7.047 1.00 0.00 C ATOM 823 O ASP A 75 -13.707 19.003 -7.667 1.00 0.00 O ATOM 824 CB ASP A 75 -13.870 15.664 -7.831 1.00 0.00 C ATOM 825 CG ASP A 75 -14.313 15.171 -6.432 1.00 0.00 C ATOM 826 OD1 ASP A 75 -13.476 15.060 -5.509 1.00 0.00 O ATOM 827 OD2 ASP A 75 -15.514 14.913 -6.218 1.00 0.00 O ATOM 0 H ASP A 75 -11.687 15.243 -6.948 1.00 0.00 H new ATOM 0 HA ASP A 75 -12.551 17.120 -8.807 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.744 16.033 -8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.483 14.816 -8.397 1.00 0.00 H new ATOM 832 N PHE A 76 -13.349 17.920 -5.715 1.00 0.00 N ATOM 833 CA PHE A 76 -13.834 18.943 -4.796 1.00 0.00 C ATOM 834 C PHE A 76 -12.990 20.211 -4.930 1.00 0.00 C ATOM 835 O PHE A 76 -13.508 21.294 -5.217 1.00 0.00 O ATOM 836 CB PHE A 76 -13.782 18.355 -3.376 1.00 0.00 C ATOM 837 CG PHE A 76 -14.819 18.885 -2.409 1.00 0.00 C ATOM 838 CD1 PHE A 76 -14.691 20.167 -1.845 1.00 0.00 C ATOM 839 CD2 PHE A 76 -15.908 18.067 -2.047 1.00 0.00 C ATOM 840 CE1 PHE A 76 -15.652 20.631 -0.927 1.00 0.00 C ATOM 841 CE2 PHE A 76 -16.862 18.527 -1.123 1.00 0.00 C ATOM 842 CZ PHE A 76 -16.734 19.810 -0.561 1.00 0.00 C ATOM 0 H PHE A 76 -13.003 17.094 -5.226 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.861 19.228 -5.026 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.896 17.273 -3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.793 18.545 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.856 20.795 -2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -16.010 17.083 -2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.558 21.620 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -17.693 17.896 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 76 -17.465 20.164 0.150 1.00 0.00 H new ATOM 852 N HIS A 77 -11.664 20.062 -4.820 1.00 0.00 N ATOM 853 CA HIS A 77 -10.735 21.181 -4.981 1.00 0.00 C ATOM 854 C HIS A 77 -10.719 21.756 -6.394 1.00 0.00 C ATOM 855 O HIS A 77 -10.555 22.967 -6.557 1.00 0.00 O ATOM 856 CB HIS A 77 -9.329 20.788 -4.520 1.00 0.00 C ATOM 857 CG HIS A 77 -9.113 21.122 -3.048 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.732 20.228 -2.029 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.379 22.330 -2.477 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.800 20.941 -0.880 1.00 0.00 C ATOM 861 NE2 HIS A 77 -9.198 22.195 -1.121 1.00 0.00 N ATOM 0 H HIS A 77 -11.211 19.171 -4.619 1.00 0.00 H new ATOM 0 HA HIS A 77 -11.101 21.983 -4.340 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.178 19.720 -4.678 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.587 21.309 -5.126 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.678 23.229 -2.995 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.565 20.550 0.099 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.342 22.923 -0.421 1.00 0.00 H new ATOM 869 N LYS A 78 -10.944 20.926 -7.418 1.00 0.00 N ATOM 870 CA LYS A 78 -11.076 21.422 -8.789 1.00 0.00 C ATOM 871 C LYS A 78 -12.262 22.385 -8.910 1.00 0.00 C ATOM 872 O LYS A 78 -12.105 23.453 -9.499 1.00 0.00 O ATOM 873 CB LYS A 78 -11.197 20.238 -9.753 1.00 0.00 C ATOM 874 CG LYS A 78 -11.021 20.694 -11.210 1.00 0.00 C ATOM 875 CD LYS A 78 -11.626 19.707 -12.209 1.00 0.00 C ATOM 876 CE LYS A 78 -13.155 19.749 -12.140 1.00 0.00 C ATOM 877 NZ LYS A 78 -13.743 18.780 -13.088 1.00 0.00 N ATOM 0 H LYS A 78 -11.038 19.915 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.183 21.988 -9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.445 19.488 -9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.171 19.764 -9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.488 21.670 -11.341 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.959 20.817 -11.423 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.294 19.951 -13.218 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.273 18.699 -11.993 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.485 19.521 -11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.508 20.754 -12.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.780 18.822 -13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.442 19.015 -14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.421 17.821 -12.848 1.00 0.00 H new ATOM 891 N ASN A 79 -13.430 22.067 -8.336 1.00 0.00 N ATOM 892 CA ASN A 79 -14.548 23.023 -8.356 1.00 0.00 C ATOM 893 C ASN A 79 -14.274 24.262 -7.474 1.00 0.00 C ATOM 894 O ASN A 79 -14.753 25.338 -7.819 1.00 0.00 O ATOM 895 CB ASN A 79 -15.880 22.327 -8.019 1.00 0.00 C ATOM 896 CG ASN A 79 -17.094 23.198 -8.347 1.00 0.00 C ATOM 897 OD1 ASN A 79 -17.703 23.108 -9.408 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.493 24.061 -7.447 1.00 0.00 N ATOM 0 H ASN A 79 -13.624 21.183 -7.865 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.640 23.403 -9.373 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.948 21.391 -8.573 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.895 22.072 -6.959 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.304 24.652 -7.631 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -16.993 24.143 -6.562 1.00 0.00 H new ATOM 905 N PHE A 80 -13.505 24.155 -6.382 1.00 0.00 N ATOM 906 CA PHE A 80 -13.113 25.302 -5.546 1.00 0.00 C ATOM 907 C PHE A 80 -12.326 26.356 -6.339 1.00 0.00 C ATOM 908 O PHE A 80 -12.756 27.504 -6.430 1.00 0.00 O ATOM 909 CB PHE A 80 -12.318 24.812 -4.327 1.00 0.00 C ATOM 910 CG PHE A 80 -11.863 25.886 -3.359 1.00 0.00 C ATOM 911 CD1 PHE A 80 -12.813 26.561 -2.568 1.00 0.00 C ATOM 912 CD2 PHE A 80 -10.489 26.125 -3.163 1.00 0.00 C ATOM 913 CE1 PHE A 80 -12.389 27.445 -1.562 1.00 0.00 C ATOM 914 CE2 PHE A 80 -10.066 27.000 -2.147 1.00 0.00 C ATOM 915 CZ PHE A 80 -11.016 27.647 -1.342 1.00 0.00 C ATOM 0 H PHE A 80 -13.134 23.265 -6.050 1.00 0.00 H new ATOM 0 HA PHE A 80 -14.023 25.793 -5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.931 24.095 -3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.439 24.274 -4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -13.868 26.399 -2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -9.760 25.636 -3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -13.117 27.968 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.012 27.174 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.690 28.304 -0.549 1.00 0.00 H new ATOM 925 N ILE A 81 -11.221 25.975 -6.992 1.00 0.00 N ATOM 926 CA ILE A 81 -10.417 26.935 -7.778 1.00 0.00 C ATOM 927 C ILE A 81 -11.175 27.386 -9.047 1.00 0.00 C ATOM 928 O ILE A 81 -11.056 28.540 -9.457 1.00 0.00 O ATOM 929 CB ILE A 81 -9.004 26.395 -8.111 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.289 25.808 -6.866 1.00 0.00 C ATOM 931 CG2 ILE A 81 -8.153 27.555 -8.692 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.121 24.885 -7.230 1.00 0.00 C ATOM 0 H ILE A 81 -10.861 25.020 -6.996 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.265 27.813 -7.151 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.113 25.587 -8.835 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.920 26.625 -6.246 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.011 25.253 -6.266 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.154 27.189 -8.931 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.627 27.936 -9.597 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.079 28.356 -7.956 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.660 24.505 -6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.489 24.050 -7.826 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.382 25.443 -7.805 1.00 0.00 H new ATOM 944 N GLN A 82 -11.990 26.514 -9.660 1.00 0.00 N ATOM 945 CA GLN A 82 -12.844 26.898 -10.797 1.00 0.00 C ATOM 946 C GLN A 82 -13.954 27.891 -10.401 1.00 0.00 C ATOM 947 O GLN A 82 -14.375 28.689 -11.240 1.00 0.00 O ATOM 948 CB GLN A 82 -13.437 25.663 -11.505 1.00 0.00 C ATOM 949 CG GLN A 82 -12.365 24.913 -12.316 1.00 0.00 C ATOM 950 CD GLN A 82 -12.891 23.744 -13.153 1.00 0.00 C ATOM 951 OE1 GLN A 82 -13.793 22.990 -12.807 1.00 0.00 O ATOM 952 NE2 GLN A 82 -12.342 23.546 -14.332 1.00 0.00 N ATOM 0 H GLN A 82 -12.076 25.535 -9.387 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.194 27.415 -11.503 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.872 24.991 -10.765 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -14.245 25.974 -12.167 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.870 25.622 -12.979 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.607 24.537 -11.629 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.589 24.154 -14.652 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.670 22.784 -14.926 1.00 0.00 H new