USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 558 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 76 ASN : amide:sc= 0.0303 K(o=-0.68,f=-3) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.706 K(o=-0.68,f=-6!) USER MOD Set 2.1: A 67 CYS SG : rot 50:sc= 0.88 USER MOD Set 2.2: A 70 CYS SG : rot -36:sc= -2.75 USER MOD Set 2.3: A 83 HIS : no HE2:sc= -2.7! X(o=-5.3!,f=-5.6) USER MOD Set 2.4: A 87 HIS : no HD1:sc= -0.769 K(o=-5.3,f=-8.3) USER MOD Set 3.1: A 39 CYS SG : rot -155:sc= -1.17 USER MOD Set 3.2: A 42 CYS SG : rot -150:sc= -0.657 USER MOD Set 3.3: A 55 HIS : no HD1:sc= 0.407 K(o=-2.3,f=-6.6) USER MOD Set 3.4: A 59 HIS : no HD1:sc= -0.846 X(o=-2.3,f=-2.2) USER MOD Set 4.1: A 11 CYS SG : rot 113:sc= -3.34! USER MOD Set 4.2: A 14 CYS SG : rot -53:sc= -0.802 USER MOD Set 4.3: A 27 HIS :FLIP no HD1:sc= -0.835 F(o=-8.3,f=-7.6) USER MOD Set 4.4: A 31 HIS : no HE2:sc= -2.6! K(o=-7.6!,f=-10) USER MOD Single : A 9 HIS : no HD1:sc= -0.0749 X(o=-0.075,f=-0.18) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 28:sc= 0.178 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -156:sc=-0.00646 (180deg=-0.634) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 130:sc= -0.699 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0487 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= 0.119 (180deg=0.0684) USER MOD Single : A 68 GLN : amide:sc= -0.0178 K(o=-0.018,f=-1.4) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 120:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 70:sc= 0.12 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N HIS A 9 13.088 7.976 -7.028 1.00 0.00 N ATOM 81 CA HIS A 9 12.529 6.839 -7.750 1.00 0.00 C ATOM 82 C HIS A 9 11.393 6.198 -6.958 1.00 0.00 C ATOM 83 O HIS A 9 11.404 6.196 -5.727 1.00 0.00 O ATOM 84 CB HIS A 9 13.616 5.802 -8.034 1.00 0.00 C ATOM 85 CG HIS A 9 14.387 6.072 -9.289 1.00 0.00 C ATOM 86 ND1 HIS A 9 13.785 6.283 -10.512 1.00 0.00 N ATOM 87 CD2 HIS A 9 15.720 6.166 -9.507 1.00 0.00 C ATOM 88 CE1 HIS A 9 14.714 6.493 -11.427 1.00 0.00 C ATOM 89 NE2 HIS A 9 15.897 6.428 -10.843 1.00 0.00 N ATOM 0 HA HIS A 9 12.129 7.203 -8.696 1.00 0.00 H new ATOM 0 HB2 HIS A 9 14.307 5.772 -7.192 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.157 4.816 -8.104 1.00 0.00 H new ATOM 0 HD2 HIS A 9 16.499 6.055 -8.767 1.00 0.00 H new ATOM 0 HE1 HIS A 9 14.537 6.685 -12.475 1.00 0.00 H new ATOM 0 HE2 HIS A 9 16.796 6.552 -11.309 1.00 0.00 H new ATOM 97 N LYS A 10 10.413 5.654 -7.672 1.00 0.00 N ATOM 98 CA LYS A 10 9.270 5.010 -7.037 1.00 0.00 C ATOM 99 C LYS A 10 8.981 3.657 -7.681 1.00 0.00 C ATOM 100 O LYS A 10 9.325 3.424 -8.840 1.00 0.00 O ATOM 101 CB LYS A 10 8.034 5.907 -7.134 1.00 0.00 C ATOM 102 CG LYS A 10 8.015 6.785 -8.372 1.00 0.00 C ATOM 103 CD LYS A 10 7.121 7.999 -8.182 1.00 0.00 C ATOM 104 CE LYS A 10 5.660 7.660 -8.435 1.00 0.00 C ATOM 105 NZ LYS A 10 4.749 8.734 -7.952 1.00 0.00 N ATOM 0 H LYS A 10 10.388 5.647 -8.692 1.00 0.00 H new ATOM 0 HA LYS A 10 9.513 4.849 -5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.141 5.282 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.985 6.541 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 10 9.029 7.112 -8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.665 6.204 -9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.236 8.382 -7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.434 8.793 -8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.503 7.504 -9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.413 6.723 -7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.763 8.465 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.880 8.866 -6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.967 9.623 -8.446 1.00 0.00 H new ATOM 119 N CYS A 11 8.346 2.770 -6.923 1.00 0.00 N ATOM 120 CA CYS A 11 8.009 1.441 -7.419 1.00 0.00 C ATOM 121 C CYS A 11 7.388 1.521 -8.811 1.00 0.00 C ATOM 122 O CYS A 11 6.982 2.593 -9.259 1.00 0.00 O ATOM 123 CB CYS A 11 7.045 0.744 -6.458 1.00 0.00 C ATOM 124 SG CYS A 11 7.133 -1.075 -6.507 1.00 0.00 S ATOM 0 H CYS A 11 8.054 2.948 -5.962 1.00 0.00 H new ATOM 0 HA CYS A 11 8.929 0.861 -7.484 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.255 1.080 -5.443 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.027 1.054 -6.693 1.00 0.00 H new ATOM 0 HG CYS A 11 7.596 -1.518 -5.376 1.00 0.00 H new ATOM 129 N GLU A 12 7.317 0.380 -9.488 1.00 0.00 N ATOM 130 CA GLU A 12 6.746 0.322 -10.829 1.00 0.00 C ATOM 131 C GLU A 12 5.565 -0.643 -10.875 1.00 0.00 C ATOM 132 O GLU A 12 4.684 -0.523 -11.727 1.00 0.00 O ATOM 133 CB GLU A 12 7.809 -0.107 -11.842 1.00 0.00 C ATOM 134 CG GLU A 12 7.304 -0.145 -13.275 1.00 0.00 C ATOM 135 CD GLU A 12 8.429 -0.245 -14.287 1.00 0.00 C ATOM 136 OE1 GLU A 12 9.418 0.505 -14.152 1.00 0.00 O ATOM 137 OE2 GLU A 12 8.319 -1.074 -15.215 1.00 0.00 O ATOM 0 H GLU A 12 7.647 -0.516 -9.131 1.00 0.00 H new ATOM 0 HA GLU A 12 6.389 1.319 -11.088 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.654 0.579 -11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.180 -1.095 -11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.633 -0.995 -13.398 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.720 0.753 -13.474 1.00 0.00 H new ATOM 144 N VAL A 13 5.554 -1.601 -9.954 1.00 0.00 N ATOM 145 CA VAL A 13 4.481 -2.586 -9.888 1.00 0.00 C ATOM 146 C VAL A 13 3.215 -1.982 -9.291 1.00 0.00 C ATOM 147 O VAL A 13 2.102 -2.340 -9.677 1.00 0.00 O ATOM 148 CB VAL A 13 4.896 -3.812 -9.052 1.00 0.00 C ATOM 149 CG1 VAL A 13 5.727 -4.772 -9.889 1.00 0.00 C ATOM 150 CG2 VAL A 13 5.658 -3.376 -7.810 1.00 0.00 C ATOM 0 H VAL A 13 6.276 -1.716 -9.243 1.00 0.00 H new ATOM 0 HA VAL A 13 4.280 -2.904 -10.911 1.00 0.00 H new ATOM 0 HB VAL A 13 3.995 -4.335 -8.732 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.011 -5.632 -9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.142 -5.109 -10.744 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.625 -4.264 -10.241 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.943 -4.254 -7.231 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.554 -2.830 -8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.024 -2.731 -7.202 1.00 0.00 H new ATOM 160 N CYS A 14 3.393 -1.063 -8.348 1.00 0.00 N ATOM 161 CA CYS A 14 2.265 -0.408 -7.696 1.00 0.00 C ATOM 162 C CYS A 14 2.359 1.108 -7.842 1.00 0.00 C ATOM 163 O CYS A 14 1.358 1.783 -8.078 1.00 0.00 O ATOM 164 CB CYS A 14 2.215 -0.787 -6.215 1.00 0.00 C ATOM 165 SG CYS A 14 3.639 -0.193 -5.247 1.00 0.00 S ATOM 0 H CYS A 14 4.308 -0.755 -8.018 1.00 0.00 H new ATOM 0 HA CYS A 14 1.350 -0.746 -8.181 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.300 -0.386 -5.779 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.159 -1.872 -6.130 1.00 0.00 H new ATOM 0 HG CYS A 14 4.742 -0.582 -5.814 1.00 0.00 H new ATOM 170 N GLY A 15 3.571 1.637 -7.700 1.00 0.00 N ATOM 171 CA GLY A 15 3.773 3.069 -7.819 1.00 0.00 C ATOM 172 C GLY A 15 3.848 3.758 -6.471 1.00 0.00 C ATOM 173 O GLY A 15 3.037 4.634 -6.167 1.00 0.00 O ATOM 0 H GLY A 15 4.416 1.100 -7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.693 3.258 -8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.958 3.501 -8.399 1.00 0.00 H new ATOM 177 N LYS A 16 4.822 3.362 -5.658 1.00 0.00 N ATOM 178 CA LYS A 16 4.999 3.947 -4.335 1.00 0.00 C ATOM 179 C LYS A 16 6.225 4.854 -4.301 1.00 0.00 C ATOM 180 O LYS A 16 7.190 4.637 -5.035 1.00 0.00 O ATOM 181 CB LYS A 16 5.139 2.845 -3.282 1.00 0.00 C ATOM 182 CG LYS A 16 4.692 3.269 -1.894 1.00 0.00 C ATOM 183 CD LYS A 16 5.188 2.305 -0.829 1.00 0.00 C ATOM 184 CE LYS A 16 4.302 2.335 0.406 1.00 0.00 C ATOM 185 NZ LYS A 16 4.579 3.524 1.259 1.00 0.00 N ATOM 0 H LYS A 16 5.501 2.638 -5.893 1.00 0.00 H new ATOM 0 HA LYS A 16 4.117 4.547 -4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.554 1.980 -3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.181 2.527 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.065 4.271 -1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.604 3.320 -1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.213 1.294 -1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.210 2.563 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.255 2.342 0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.459 1.426 0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.955 3.508 2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.571 3.504 1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.405 4.392 0.712 1.00 0.00 H new ATOM 199 N CYS A 17 6.181 5.868 -3.444 1.00 0.00 N ATOM 200 CA CYS A 17 7.289 6.808 -3.314 1.00 0.00 C ATOM 201 C CYS A 17 8.288 6.329 -2.266 1.00 0.00 C ATOM 202 O CYS A 17 7.911 5.983 -1.146 1.00 0.00 O ATOM 203 CB CYS A 17 6.767 8.196 -2.942 1.00 0.00 C ATOM 204 SG CYS A 17 5.902 8.258 -1.355 1.00 0.00 S ATOM 0 H CYS A 17 5.390 6.060 -2.829 1.00 0.00 H new ATOM 0 HA CYS A 17 7.799 6.866 -4.276 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.605 8.892 -2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.092 8.541 -3.725 1.00 0.00 H new ATOM 0 HG CYS A 17 6.364 7.329 -0.572 1.00 0.00 H new ATOM 210 N PHE A 18 9.564 6.311 -2.637 1.00 0.00 N ATOM 211 CA PHE A 18 10.618 5.871 -1.730 1.00 0.00 C ATOM 212 C PHE A 18 11.775 6.867 -1.717 1.00 0.00 C ATOM 213 O PHE A 18 11.983 7.604 -2.680 1.00 0.00 O ATOM 214 CB PHE A 18 11.126 4.487 -2.137 1.00 0.00 C ATOM 215 CG PHE A 18 10.272 3.361 -1.627 1.00 0.00 C ATOM 216 CD1 PHE A 18 10.384 2.929 -0.315 1.00 0.00 C ATOM 217 CD2 PHE A 18 9.357 2.736 -2.459 1.00 0.00 C ATOM 218 CE1 PHE A 18 9.600 1.893 0.156 1.00 0.00 C ATOM 219 CE2 PHE A 18 8.571 1.700 -1.992 1.00 0.00 C ATOM 220 CZ PHE A 18 8.691 1.278 -0.683 1.00 0.00 C ATOM 0 H PHE A 18 9.893 6.596 -3.559 1.00 0.00 H new ATOM 0 HA PHE A 18 10.198 5.815 -0.726 1.00 0.00 H new ATOM 0 HB2 PHE A 18 11.174 4.432 -3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 18 12.143 4.358 -1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.091 3.407 0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 18 9.257 3.062 -3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.698 1.564 1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.863 1.220 -2.651 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.076 0.470 -0.316 1.00 0.00 H new ATOM 230 N SER A 19 12.523 6.881 -0.619 1.00 0.00 N ATOM 231 CA SER A 19 13.656 7.788 -0.478 1.00 0.00 C ATOM 232 C SER A 19 14.852 7.293 -1.286 1.00 0.00 C ATOM 233 O SER A 19 15.406 8.025 -2.107 1.00 0.00 O ATOM 234 CB SER A 19 14.045 7.928 0.995 1.00 0.00 C ATOM 235 OG SER A 19 12.926 8.293 1.785 1.00 0.00 O ATOM 0 H SER A 19 12.365 6.275 0.186 1.00 0.00 H new ATOM 0 HA SER A 19 13.358 8.764 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.458 6.986 1.357 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.828 8.680 1.098 1.00 0.00 H new ATOM 0 HG SER A 19 13.200 8.375 2.722 1.00 0.00 H new ATOM 241 N ARG A 20 15.244 6.046 -1.048 1.00 0.00 N ATOM 242 CA ARG A 20 16.375 5.453 -1.752 1.00 0.00 C ATOM 243 C ARG A 20 15.929 4.252 -2.582 1.00 0.00 C ATOM 244 O ARG A 20 14.793 3.792 -2.468 1.00 0.00 O ATOM 245 CB ARG A 20 17.455 5.025 -0.756 1.00 0.00 C ATOM 246 CG ARG A 20 18.063 6.184 0.018 1.00 0.00 C ATOM 247 CD ARG A 20 18.507 5.753 1.407 1.00 0.00 C ATOM 248 NE ARG A 20 19.354 6.756 2.046 1.00 0.00 N ATOM 249 CZ ARG A 20 19.513 6.855 3.361 1.00 0.00 C ATOM 250 NH1 ARG A 20 18.885 6.014 4.172 1.00 0.00 N ATOM 251 NH2 ARG A 20 20.301 7.794 3.867 1.00 0.00 N ATOM 0 H ARG A 20 14.795 5.427 -0.373 1.00 0.00 H new ATOM 0 HA ARG A 20 16.788 6.205 -2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.026 4.314 -0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 20 18.247 4.503 -1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.916 6.582 -0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 20 17.334 6.990 0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 20 17.630 5.571 2.028 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.050 4.811 1.338 1.00 0.00 H new ATOM 0 HE ARG A 20 19.851 7.417 1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.279 5.290 3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.008 6.091 5.182 1.00 0.00 H new ATOM 0 HH21 ARG A 20 20.786 8.442 3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.422 7.869 4.877 1.00 0.00 H new ATOM 265 N LYS A 21 16.832 3.749 -3.417 1.00 0.00 N ATOM 266 CA LYS A 21 16.533 2.602 -4.266 1.00 0.00 C ATOM 267 C LYS A 21 16.621 1.302 -3.475 1.00 0.00 C ATOM 268 O LYS A 21 15.788 0.409 -3.634 1.00 0.00 O ATOM 269 CB LYS A 21 17.499 2.556 -5.453 1.00 0.00 C ATOM 270 CG LYS A 21 18.958 2.442 -5.046 1.00 0.00 C ATOM 271 CD LYS A 21 19.880 2.999 -6.118 1.00 0.00 C ATOM 272 CE LYS A 21 19.943 4.517 -6.065 1.00 0.00 C ATOM 273 NZ LYS A 21 20.965 5.063 -7.001 1.00 0.00 N ATOM 0 H LYS A 21 17.777 4.118 -3.524 1.00 0.00 H new ATOM 0 HA LYS A 21 15.514 2.712 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.241 1.709 -6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 21 17.367 3.456 -6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.119 2.979 -4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 21 19.204 1.397 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 21 20.881 2.588 -5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 21 19.530 2.682 -7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.965 4.930 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 21 20.174 4.836 -5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 20.977 6.101 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 21.902 4.689 -6.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 20.731 4.781 -7.974 1.00 0.00 H new ATOM 287 N ASP A 22 17.634 1.202 -2.621 1.00 0.00 N ATOM 288 CA ASP A 22 17.828 0.011 -1.802 1.00 0.00 C ATOM 289 C ASP A 22 16.509 -0.451 -1.191 1.00 0.00 C ATOM 290 O ASP A 22 16.152 -1.626 -1.272 1.00 0.00 O ATOM 291 CB ASP A 22 18.847 0.288 -0.695 1.00 0.00 C ATOM 292 CG ASP A 22 19.091 -0.924 0.183 1.00 0.00 C ATOM 293 OD1 ASP A 22 18.349 -1.098 1.172 1.00 0.00 O ATOM 294 OD2 ASP A 22 20.025 -1.697 -0.117 1.00 0.00 O ATOM 0 H ASP A 22 18.333 1.931 -2.478 1.00 0.00 H new ATOM 0 HA ASP A 22 18.207 -0.783 -2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 22 19.789 0.604 -1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.494 1.115 -0.078 1.00 0.00 H new ATOM 299 N LYS A 23 15.788 0.482 -0.578 1.00 0.00 N ATOM 300 CA LYS A 23 14.508 0.173 0.047 1.00 0.00 C ATOM 301 C LYS A 23 13.571 -0.513 -0.943 1.00 0.00 C ATOM 302 O LYS A 23 12.818 -1.417 -0.576 1.00 0.00 O ATOM 303 CB LYS A 23 13.856 1.450 0.581 1.00 0.00 C ATOM 304 CG LYS A 23 14.520 1.995 1.833 1.00 0.00 C ATOM 305 CD LYS A 23 13.622 2.985 2.555 1.00 0.00 C ATOM 306 CE LYS A 23 14.434 4.041 3.290 1.00 0.00 C ATOM 307 NZ LYS A 23 14.795 3.604 4.667 1.00 0.00 N ATOM 0 H LYS A 23 16.069 1.459 -0.501 1.00 0.00 H new ATOM 0 HA LYS A 23 14.693 -0.508 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.883 2.214 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.806 1.250 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.767 1.171 2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.458 2.481 1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.960 3.468 1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.988 2.453 3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.342 4.257 2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.863 4.968 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.348 4.351 5.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.928 3.422 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.362 2.733 4.618 1.00 0.00 H new ATOM 321 N LEU A 24 13.623 -0.080 -2.197 1.00 0.00 N ATOM 322 CA LEU A 24 12.780 -0.654 -3.240 1.00 0.00 C ATOM 323 C LEU A 24 13.045 -2.148 -3.394 1.00 0.00 C ATOM 324 O LEU A 24 12.131 -2.966 -3.292 1.00 0.00 O ATOM 325 CB LEU A 24 13.025 0.059 -4.572 1.00 0.00 C ATOM 326 CG LEU A 24 11.969 -0.162 -5.656 1.00 0.00 C ATOM 327 CD1 LEU A 24 10.673 0.544 -5.290 1.00 0.00 C ATOM 328 CD2 LEU A 24 12.480 0.324 -7.004 1.00 0.00 C ATOM 0 H LEU A 24 14.240 0.667 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 24 11.739 -0.517 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.101 1.129 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.990 -0.264 -4.962 1.00 0.00 H new ATOM 0 HG LEU A 24 11.769 -1.231 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.933 0.376 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.298 0.150 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.857 1.614 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.716 0.159 -7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.709 1.388 -6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.382 -0.227 -7.271 1.00 0.00 H new ATOM 340 N LYS A 25 14.304 -2.498 -3.638 1.00 0.00 N ATOM 341 CA LYS A 25 14.692 -3.894 -3.803 1.00 0.00 C ATOM 342 C LYS A 25 14.001 -4.776 -2.768 1.00 0.00 C ATOM 343 O LYS A 25 13.562 -5.885 -3.076 1.00 0.00 O ATOM 344 CB LYS A 25 16.210 -4.040 -3.681 1.00 0.00 C ATOM 345 CG LYS A 25 16.949 -3.828 -4.992 1.00 0.00 C ATOM 346 CD LYS A 25 17.094 -2.351 -5.318 1.00 0.00 C ATOM 347 CE LYS A 25 18.309 -2.091 -6.195 1.00 0.00 C ATOM 348 NZ LYS A 25 19.568 -2.057 -5.402 1.00 0.00 N ATOM 0 H LYS A 25 15.073 -1.834 -3.726 1.00 0.00 H new ATOM 0 HA LYS A 25 14.381 -4.217 -4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.578 -3.324 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.441 -5.035 -3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.936 -4.287 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.413 -4.328 -5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.196 -1.999 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.182 -1.780 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.380 -2.868 -6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.183 -1.143 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.373 -1.877 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.511 -1.299 -4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.702 -2.971 -4.923 1.00 0.00 H new ATOM 362 N THR A 26 13.906 -4.277 -1.540 1.00 0.00 N ATOM 363 CA THR A 26 13.268 -5.019 -0.460 1.00 0.00 C ATOM 364 C THR A 26 11.758 -4.815 -0.469 1.00 0.00 C ATOM 365 O THR A 26 11.001 -5.686 -0.039 1.00 0.00 O ATOM 366 CB THR A 26 13.823 -4.600 0.914 1.00 0.00 C ATOM 367 OG1 THR A 26 15.247 -4.465 0.848 1.00 0.00 O ATOM 368 CG2 THR A 26 13.455 -5.620 1.981 1.00 0.00 C ATOM 0 H THR A 26 14.263 -3.361 -1.268 1.00 0.00 H new ATOM 0 HA THR A 26 13.490 -6.073 -0.627 1.00 0.00 H new ATOM 0 HB THR A 26 13.380 -3.641 1.182 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.591 -4.197 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.858 -5.302 2.943 1.00 0.00 H new ATOM 0 HG22 THR A 26 12.370 -5.699 2.050 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.873 -6.591 1.716 1.00 0.00 H new ATOM 376 N HIS A 27 11.325 -3.660 -0.963 1.00 0.00 N ATOM 377 CA HIS A 27 9.903 -3.342 -1.030 1.00 0.00 C ATOM 378 C HIS A 27 9.150 -4.387 -1.848 1.00 0.00 C ATOM 379 O HIS A 27 7.943 -4.566 -1.684 1.00 0.00 O ATOM 380 CB HIS A 27 9.697 -1.955 -1.640 1.00 0.00 C ATOM 381 CG HIS A 27 8.288 -1.696 -2.078 1.00 0.00 C ATOM 382 ND1 HIS A 27 7.777 -1.420 -3.300 1.00 0.00 N flip ATOM 383 CD2 HIS A 27 7.216 -1.704 -1.210 1.00 0.00 C flip ATOM 384 CE1 HIS A 27 6.421 -1.268 -3.151 1.00 0.00 C flip ATOM 385 NE2 HIS A 27 6.108 -1.446 -1.880 1.00 0.00 N flip ATOM 0 H HIS A 27 11.938 -2.929 -1.323 1.00 0.00 H new ATOM 0 HA HIS A 27 9.507 -3.347 -0.014 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.986 -1.199 -0.910 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.362 -1.841 -2.496 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.274 -1.892 -0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 27 5.724 -1.040 -3.944 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.170 -1.393 -1.484 1.00 0.00 H new ATOM 393 N MET A 28 9.871 -5.074 -2.728 1.00 0.00 N ATOM 394 CA MET A 28 9.270 -6.101 -3.571 1.00 0.00 C ATOM 395 C MET A 28 9.064 -7.394 -2.788 1.00 0.00 C ATOM 396 O MET A 28 8.461 -8.344 -3.289 1.00 0.00 O ATOM 397 CB MET A 28 10.151 -6.367 -4.794 1.00 0.00 C ATOM 398 CG MET A 28 10.624 -5.101 -5.489 1.00 0.00 C ATOM 399 SD MET A 28 10.869 -5.330 -7.260 1.00 0.00 S ATOM 400 CE MET A 28 10.019 -3.893 -7.909 1.00 0.00 C ATOM 0 H MET A 28 10.871 -4.938 -2.876 1.00 0.00 H new ATOM 0 HA MET A 28 8.297 -5.739 -3.904 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.020 -6.949 -4.486 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.595 -6.977 -5.506 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.894 -4.308 -5.327 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.559 -4.771 -5.037 1.00 0.00 H new ATOM 0 HE1 MET A 28 10.083 -3.893 -8.997 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.972 -3.922 -7.607 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.484 -2.988 -7.519 1.00 0.00 H new ATOM 410 N ARG A 29 9.567 -7.423 -1.559 1.00 0.00 N ATOM 411 CA ARG A 29 9.438 -8.600 -0.708 1.00 0.00 C ATOM 412 C ARG A 29 7.972 -8.887 -0.395 1.00 0.00 C ATOM 413 O ARG A 29 7.626 -9.981 0.051 1.00 0.00 O ATOM 414 CB ARG A 29 10.219 -8.403 0.593 1.00 0.00 C ATOM 415 CG ARG A 29 9.460 -7.611 1.645 1.00 0.00 C ATOM 416 CD ARG A 29 10.363 -7.214 2.802 1.00 0.00 C ATOM 417 NE ARG A 29 9.617 -6.586 3.889 1.00 0.00 N ATOM 418 CZ ARG A 29 9.182 -5.332 3.854 1.00 0.00 C ATOM 419 NH1 ARG A 29 9.419 -4.575 2.791 1.00 0.00 N ATOM 420 NH2 ARG A 29 8.509 -4.832 4.882 1.00 0.00 N ATOM 0 H ARG A 29 10.068 -6.645 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 29 9.851 -9.453 -1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.478 -9.379 1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.155 -7.891 0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.034 -6.716 1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.627 -8.206 2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.878 -8.097 3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.129 -6.527 2.444 1.00 0.00 H new ATOM 0 HE ARG A 29 9.419 -7.141 4.721 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.936 -4.956 1.999 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.084 -3.612 2.766 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.325 -5.411 5.701 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.176 -3.868 4.853 1.00 0.00 H new ATOM 434 N CYS A 30 7.118 -7.898 -0.632 1.00 0.00 N ATOM 435 CA CYS A 30 5.689 -8.044 -0.374 1.00 0.00 C ATOM 436 C CYS A 30 4.892 -7.964 -1.672 1.00 0.00 C ATOM 437 O CYS A 30 3.689 -7.701 -1.659 1.00 0.00 O ATOM 438 CB CYS A 30 5.213 -6.964 0.598 1.00 0.00 C ATOM 439 SG CYS A 30 5.437 -7.389 2.341 1.00 0.00 S ATOM 0 H CYS A 30 7.389 -6.987 -1.002 1.00 0.00 H new ATOM 0 HA CYS A 30 5.523 -9.024 0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.751 -6.039 0.389 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.157 -6.767 0.416 1.00 0.00 H new ATOM 0 HG CYS A 30 5.007 -6.413 3.084 1.00 0.00 H new ATOM 445 N HIS A 31 5.570 -8.193 -2.792 1.00 0.00 N ATOM 446 CA HIS A 31 4.925 -8.146 -4.100 1.00 0.00 C ATOM 447 C HIS A 31 4.865 -9.536 -4.726 1.00 0.00 C ATOM 448 O HIS A 31 3.792 -10.021 -5.086 1.00 0.00 O ATOM 449 CB HIS A 31 5.673 -7.188 -5.027 1.00 0.00 C ATOM 450 CG HIS A 31 5.225 -5.764 -4.905 1.00 0.00 C ATOM 451 ND1 HIS A 31 3.898 -5.394 -4.857 1.00 0.00 N ATOM 452 CD2 HIS A 31 5.937 -4.616 -4.819 1.00 0.00 C ATOM 453 CE1 HIS A 31 3.813 -4.080 -4.749 1.00 0.00 C ATOM 454 NE2 HIS A 31 5.037 -3.584 -4.723 1.00 0.00 N ATOM 0 H HIS A 31 6.566 -8.413 -2.820 1.00 0.00 H new ATOM 0 HA HIS A 31 3.906 -7.784 -3.963 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.740 -7.244 -4.810 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.540 -7.515 -6.058 1.00 0.00 H new ATOM 0 HD1 HIS A 31 3.105 -6.035 -4.898 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.013 -4.528 -4.825 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.898 -3.509 -4.692 1.00 0.00 H new ATOM 535 N TYR A 37 -2.877 -20.269 -7.981 1.00 0.00 N ATOM 536 CA TYR A 37 -4.228 -20.805 -7.869 1.00 0.00 C ATOM 537 C TYR A 37 -5.176 -19.770 -7.270 1.00 0.00 C ATOM 538 O TYR A 37 -5.236 -19.597 -6.052 1.00 0.00 O ATOM 539 CB TYR A 37 -4.228 -22.071 -7.011 1.00 0.00 C ATOM 540 CG TYR A 37 -3.248 -23.121 -7.481 1.00 0.00 C ATOM 541 CD1 TYR A 37 -3.452 -23.806 -8.673 1.00 0.00 C ATOM 542 CD2 TYR A 37 -2.119 -23.430 -6.733 1.00 0.00 C ATOM 543 CE1 TYR A 37 -2.560 -24.767 -9.106 1.00 0.00 C ATOM 544 CE2 TYR A 37 -1.220 -24.389 -7.160 1.00 0.00 C ATOM 545 CZ TYR A 37 -1.445 -25.055 -8.346 1.00 0.00 C ATOM 546 OH TYR A 37 -0.553 -26.012 -8.774 1.00 0.00 O ATOM 0 HA TYR A 37 -4.577 -21.054 -8.871 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.993 -21.802 -5.981 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.231 -22.498 -7.008 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.323 -23.583 -9.271 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.941 -22.912 -5.802 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.734 -25.290 -10.035 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.346 -24.615 -6.568 1.00 0.00 H new ATOM 0 HH TYR A 37 0.177 -26.093 -8.125 1.00 0.00 H new ATOM 556 N LYS A 38 -5.917 -19.085 -8.135 1.00 0.00 N ATOM 557 CA LYS A 38 -6.864 -18.069 -7.694 1.00 0.00 C ATOM 558 C LYS A 38 -8.247 -18.321 -8.286 1.00 0.00 C ATOM 559 O LYS A 38 -8.378 -18.659 -9.463 1.00 0.00 O ATOM 560 CB LYS A 38 -6.373 -16.676 -8.094 1.00 0.00 C ATOM 561 CG LYS A 38 -5.182 -16.195 -7.284 1.00 0.00 C ATOM 562 CD LYS A 38 -5.054 -14.681 -7.325 1.00 0.00 C ATOM 563 CE LYS A 38 -4.345 -14.148 -6.089 1.00 0.00 C ATOM 564 NZ LYS A 38 -2.884 -14.432 -6.122 1.00 0.00 N ATOM 0 H LYS A 38 -5.879 -19.216 -9.146 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.937 -18.124 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.104 -16.684 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.191 -15.965 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.287 -16.524 -6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.270 -16.649 -7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.503 -14.385 -8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.045 -14.233 -7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.504 -13.072 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.782 -14.597 -5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.437 -14.053 -5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.731 -15.460 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.462 -13.982 -6.959 1.00 0.00 H new ATOM 578 N CYS A 39 -9.278 -18.153 -7.464 1.00 0.00 N ATOM 579 CA CYS A 39 -10.651 -18.361 -7.906 1.00 0.00 C ATOM 580 C CYS A 39 -11.003 -17.416 -9.051 1.00 0.00 C ATOM 581 O CYS A 39 -10.276 -16.462 -9.330 1.00 0.00 O ATOM 582 CB CYS A 39 -11.621 -18.152 -6.741 1.00 0.00 C ATOM 583 SG CYS A 39 -13.268 -18.884 -7.005 1.00 0.00 S ATOM 0 H CYS A 39 -9.188 -17.873 -6.487 1.00 0.00 H new ATOM 0 HA CYS A 39 -10.740 -19.387 -8.264 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.185 -18.580 -5.838 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.735 -17.082 -6.564 1.00 0.00 H new ATOM 0 HG CYS A 39 -14.145 -18.252 -6.282 1.00 0.00 H new ATOM 588 N LYS A 40 -12.123 -17.688 -9.712 1.00 0.00 N ATOM 589 CA LYS A 40 -12.574 -16.863 -10.826 1.00 0.00 C ATOM 590 C LYS A 40 -13.272 -15.603 -10.323 1.00 0.00 C ATOM 591 O LYS A 40 -12.863 -14.486 -10.639 1.00 0.00 O ATOM 592 CB LYS A 40 -13.522 -17.659 -11.726 1.00 0.00 C ATOM 593 CG LYS A 40 -13.835 -16.968 -13.042 1.00 0.00 C ATOM 594 CD LYS A 40 -12.669 -17.060 -14.012 1.00 0.00 C ATOM 595 CE LYS A 40 -12.781 -18.287 -14.903 1.00 0.00 C ATOM 596 NZ LYS A 40 -12.107 -19.472 -14.303 1.00 0.00 N ATOM 0 H LYS A 40 -12.735 -18.474 -9.495 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.698 -16.566 -11.403 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.080 -18.634 -11.933 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -14.453 -17.839 -11.189 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -14.719 -17.421 -13.491 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -14.073 -15.921 -12.856 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.636 -16.162 -14.630 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.733 -17.098 -13.455 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.833 -18.516 -15.075 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.338 -18.071 -15.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.844 -20.140 -15.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.252 -19.166 -13.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.755 -19.939 -13.637 1.00 0.00 H new ATOM 610 N THR A 41 -14.327 -15.791 -9.536 1.00 0.00 N ATOM 611 CA THR A 41 -15.081 -14.670 -8.989 1.00 0.00 C ATOM 612 C THR A 41 -14.491 -14.205 -7.663 1.00 0.00 C ATOM 613 O THR A 41 -14.417 -13.007 -7.390 1.00 0.00 O ATOM 614 CB THR A 41 -16.562 -15.039 -8.778 1.00 0.00 C ATOM 615 OG1 THR A 41 -17.266 -13.930 -8.207 1.00 0.00 O ATOM 616 CG2 THR A 41 -16.693 -16.252 -7.869 1.00 0.00 C ATOM 0 H THR A 41 -14.678 -16.709 -9.263 1.00 0.00 H new ATOM 0 HA THR A 41 -15.016 -13.860 -9.716 1.00 0.00 H new ATOM 0 HB THR A 41 -16.995 -15.283 -9.748 1.00 0.00 H new ATOM 0 HG1 THR A 41 -18.207 -14.172 -8.077 1.00 0.00 H new ATOM 0 HG21 THR A 41 -17.747 -16.494 -7.735 1.00 0.00 H new ATOM 0 HG22 THR A 41 -16.181 -17.102 -8.320 1.00 0.00 H new ATOM 0 HG23 THR A 41 -16.245 -16.031 -6.900 1.00 0.00 H new ATOM 624 N CYS A 42 -14.070 -15.161 -6.841 1.00 0.00 N ATOM 625 CA CYS A 42 -13.485 -14.850 -5.542 1.00 0.00 C ATOM 626 C CYS A 42 -12.022 -14.443 -5.688 1.00 0.00 C ATOM 627 O CYS A 42 -11.415 -14.638 -6.741 1.00 0.00 O ATOM 628 CB CYS A 42 -13.601 -16.055 -4.606 1.00 0.00 C ATOM 629 SG CYS A 42 -15.244 -16.842 -4.606 1.00 0.00 S ATOM 0 H CYS A 42 -14.123 -16.158 -7.052 1.00 0.00 H new ATOM 0 HA CYS A 42 -14.035 -14.012 -5.114 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -12.855 -16.796 -4.892 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -13.362 -15.737 -3.591 1.00 0.00 H new ATOM 0 HG CYS A 42 -15.472 -17.372 -3.441 1.00 0.00 H new ATOM 634 N ASP A 43 -11.462 -13.878 -4.624 1.00 0.00 N ATOM 635 CA ASP A 43 -10.070 -13.445 -4.632 1.00 0.00 C ATOM 636 C ASP A 43 -9.256 -14.211 -3.594 1.00 0.00 C ATOM 637 O ASP A 43 -8.399 -13.642 -2.919 1.00 0.00 O ATOM 638 CB ASP A 43 -9.979 -11.942 -4.362 1.00 0.00 C ATOM 639 CG ASP A 43 -10.372 -11.585 -2.942 1.00 0.00 C ATOM 640 OD1 ASP A 43 -11.567 -11.722 -2.605 1.00 0.00 O ATOM 641 OD2 ASP A 43 -9.485 -11.168 -2.167 1.00 0.00 O ATOM 0 H ASP A 43 -11.951 -13.709 -3.745 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.656 -13.655 -5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.960 -11.603 -4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.626 -11.410 -5.060 1.00 0.00 H new ATOM 646 N TYR A 44 -9.532 -15.505 -3.472 1.00 0.00 N ATOM 647 CA TYR A 44 -8.828 -16.349 -2.513 1.00 0.00 C ATOM 648 C TYR A 44 -7.522 -16.871 -3.104 1.00 0.00 C ATOM 649 O TYR A 44 -7.484 -17.337 -4.242 1.00 0.00 O ATOM 650 CB TYR A 44 -9.713 -17.521 -2.088 1.00 0.00 C ATOM 651 CG TYR A 44 -8.934 -18.727 -1.614 1.00 0.00 C ATOM 652 CD1 TYR A 44 -7.960 -18.607 -0.631 1.00 0.00 C ATOM 653 CD2 TYR A 44 -9.174 -19.987 -2.148 1.00 0.00 C ATOM 654 CE1 TYR A 44 -7.245 -19.706 -0.195 1.00 0.00 C ATOM 655 CE2 TYR A 44 -8.465 -21.092 -1.717 1.00 0.00 C ATOM 656 CZ TYR A 44 -7.502 -20.947 -0.741 1.00 0.00 C ATOM 657 OH TYR A 44 -6.793 -22.044 -0.309 1.00 0.00 O ATOM 0 H TYR A 44 -10.238 -15.992 -4.025 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.593 -15.744 -1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.378 -17.192 -1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.343 -17.813 -2.928 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.758 -17.638 -0.200 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.927 -20.105 -2.913 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.489 -19.594 0.569 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.664 -22.064 -2.143 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.415 -22.767 -0.084 1.00 0.00 H new ATOM 667 N ALA A 45 -6.451 -16.790 -2.320 1.00 0.00 N ATOM 668 CA ALA A 45 -5.143 -17.257 -2.762 1.00 0.00 C ATOM 669 C ALA A 45 -4.787 -18.589 -2.112 1.00 0.00 C ATOM 670 O ALA A 45 -4.717 -18.694 -0.888 1.00 0.00 O ATOM 671 CB ALA A 45 -4.079 -16.215 -2.452 1.00 0.00 C ATOM 0 H ALA A 45 -6.464 -16.405 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.184 -17.409 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.107 -16.577 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.318 -15.286 -2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.048 -16.035 -1.377 1.00 0.00 H new ATOM 677 N ALA A 46 -4.564 -19.605 -2.940 1.00 0.00 N ATOM 678 CA ALA A 46 -4.214 -20.931 -2.445 1.00 0.00 C ATOM 679 C ALA A 46 -2.877 -21.393 -3.014 1.00 0.00 C ATOM 680 O ALA A 46 -2.593 -21.198 -4.195 1.00 0.00 O ATOM 681 CB ALA A 46 -5.310 -21.929 -2.789 1.00 0.00 C ATOM 0 H ALA A 46 -4.620 -19.535 -3.956 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.118 -20.874 -1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.035 -22.915 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.247 -21.614 -2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.434 -21.975 -3.871 1.00 0.00 H new ATOM 687 N ALA A 47 -2.058 -22.006 -2.165 1.00 0.00 N ATOM 688 CA ALA A 47 -0.751 -22.498 -2.583 1.00 0.00 C ATOM 689 C ALA A 47 -0.816 -23.973 -2.964 1.00 0.00 C ATOM 690 O ALA A 47 0.159 -24.708 -2.804 1.00 0.00 O ATOM 691 CB ALA A 47 0.273 -22.279 -1.480 1.00 0.00 C ATOM 0 H ALA A 47 -2.277 -22.174 -1.183 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.443 -21.936 -3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.244 -22.651 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.348 -21.214 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.038 -22.814 -0.583 1.00 0.00 H new ATOM 697 N ASP A 48 -1.969 -24.399 -3.467 1.00 0.00 N ATOM 698 CA ASP A 48 -2.160 -25.788 -3.871 1.00 0.00 C ATOM 699 C ASP A 48 -3.351 -25.920 -4.814 1.00 0.00 C ATOM 700 O ASP A 48 -4.383 -25.277 -4.621 1.00 0.00 O ATOM 701 CB ASP A 48 -2.365 -26.675 -2.642 1.00 0.00 C ATOM 702 CG ASP A 48 -1.090 -26.866 -1.846 1.00 0.00 C ATOM 703 OD1 ASP A 48 -0.294 -27.758 -2.207 1.00 0.00 O ATOM 704 OD2 ASP A 48 -0.887 -26.124 -0.861 1.00 0.00 O ATOM 0 H ASP A 48 -2.785 -23.803 -3.605 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.264 -26.114 -4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.127 -26.232 -2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.741 -27.648 -2.959 1.00 0.00 H new ATOM 709 N SER A 49 -3.201 -26.757 -5.835 1.00 0.00 N ATOM 710 CA SER A 49 -4.262 -26.971 -6.812 1.00 0.00 C ATOM 711 C SER A 49 -5.536 -27.463 -6.131 1.00 0.00 C ATOM 712 O SER A 49 -6.639 -27.029 -6.465 1.00 0.00 O ATOM 713 CB SER A 49 -3.815 -27.979 -7.872 1.00 0.00 C ATOM 714 OG SER A 49 -3.511 -29.233 -7.286 1.00 0.00 O ATOM 0 H SER A 49 -2.354 -27.299 -6.007 1.00 0.00 H new ATOM 0 HA SER A 49 -4.473 -26.017 -7.296 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.602 -28.103 -8.616 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.939 -27.597 -8.396 1.00 0.00 H new ATOM 0 HG SER A 49 -3.229 -29.861 -7.984 1.00 0.00 H new ATOM 720 N SER A 50 -5.375 -28.371 -5.175 1.00 0.00 N ATOM 721 CA SER A 50 -6.511 -28.926 -4.449 1.00 0.00 C ATOM 722 C SER A 50 -7.214 -27.846 -3.632 1.00 0.00 C ATOM 723 O SER A 50 -8.398 -27.573 -3.831 1.00 0.00 O ATOM 724 CB SER A 50 -6.052 -30.059 -3.529 1.00 0.00 C ATOM 725 OG SER A 50 -4.959 -29.651 -2.725 1.00 0.00 O ATOM 0 H SER A 50 -4.469 -28.738 -4.885 1.00 0.00 H new ATOM 0 HA SER A 50 -7.217 -29.323 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.879 -30.372 -2.892 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.765 -30.924 -4.127 1.00 0.00 H new ATOM 0 HG SER A 50 -4.685 -30.392 -2.145 1.00 0.00 H new ATOM 731 N SER A 51 -6.476 -27.235 -2.712 1.00 0.00 N ATOM 732 CA SER A 51 -7.028 -26.187 -1.861 1.00 0.00 C ATOM 733 C SER A 51 -7.943 -25.264 -2.661 1.00 0.00 C ATOM 734 O SER A 51 -8.939 -24.758 -2.143 1.00 0.00 O ATOM 735 CB SER A 51 -5.901 -25.375 -1.219 1.00 0.00 C ATOM 736 OG SER A 51 -5.520 -25.929 0.028 1.00 0.00 O ATOM 0 H SER A 51 -5.494 -27.447 -2.536 1.00 0.00 H new ATOM 0 HA SER A 51 -7.616 -26.663 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.040 -25.350 -1.887 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.226 -24.344 -1.078 1.00 0.00 H new ATOM 0 HG SER A 51 -4.797 -25.393 0.417 1.00 0.00 H new ATOM 742 N LEU A 52 -7.597 -25.049 -3.925 1.00 0.00 N ATOM 743 CA LEU A 52 -8.386 -24.187 -4.798 1.00 0.00 C ATOM 744 C LEU A 52 -9.620 -24.920 -5.315 1.00 0.00 C ATOM 745 O LEU A 52 -10.685 -24.325 -5.476 1.00 0.00 O ATOM 746 CB LEU A 52 -7.536 -23.704 -5.974 1.00 0.00 C ATOM 747 CG LEU A 52 -8.228 -22.763 -6.961 1.00 0.00 C ATOM 748 CD1 LEU A 52 -8.249 -21.342 -6.418 1.00 0.00 C ATOM 749 CD2 LEU A 52 -7.537 -22.808 -8.316 1.00 0.00 C ATOM 0 H LEU A 52 -6.775 -25.460 -4.369 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.714 -23.325 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.656 -23.198 -5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.181 -24.577 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.258 -23.096 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.745 -20.686 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.790 -21.322 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.227 -20.998 -6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.043 -22.132 -9.005 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.497 -22.501 -8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.575 -23.824 -8.710 1.00 0.00 H new ATOM 761 N ASN A 53 -9.469 -26.215 -5.572 1.00 0.00 N ATOM 762 CA ASN A 53 -10.572 -27.029 -6.070 1.00 0.00 C ATOM 763 C ASN A 53 -11.649 -27.196 -5.002 1.00 0.00 C ATOM 764 O ASN A 53 -12.839 -27.040 -5.275 1.00 0.00 O ATOM 765 CB ASN A 53 -10.061 -28.401 -6.513 1.00 0.00 C ATOM 766 CG ASN A 53 -9.639 -28.418 -7.970 1.00 0.00 C ATOM 767 OD1 ASN A 53 -9.253 -27.391 -8.527 1.00 0.00 O ATOM 768 ND2 ASN A 53 -9.711 -29.588 -8.593 1.00 0.00 N ATOM 0 H ASN A 53 -8.594 -26.723 -5.444 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.010 -26.518 -6.927 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.215 -28.689 -5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.842 -29.145 -6.355 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.440 -29.661 -9.574 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.037 -30.414 -8.091 1.00 0.00 H new ATOM 775 N LYS A 54 -11.223 -27.515 -3.784 1.00 0.00 N ATOM 776 CA LYS A 54 -12.150 -27.701 -2.674 1.00 0.00 C ATOM 777 C LYS A 54 -12.962 -26.435 -2.424 1.00 0.00 C ATOM 778 O LYS A 54 -14.076 -26.492 -1.902 1.00 0.00 O ATOM 779 CB LYS A 54 -11.386 -28.089 -1.406 1.00 0.00 C ATOM 780 CG LYS A 54 -10.441 -27.008 -0.910 1.00 0.00 C ATOM 781 CD LYS A 54 -10.110 -27.189 0.562 1.00 0.00 C ATOM 782 CE LYS A 54 -9.181 -28.372 0.783 1.00 0.00 C ATOM 783 NZ LYS A 54 -8.358 -28.209 2.014 1.00 0.00 N ATOM 0 H LYS A 54 -10.242 -27.650 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.837 -28.505 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.102 -28.323 -0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.816 -28.998 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.522 -27.030 -1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.894 -26.029 -1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.643 -26.282 0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.030 -27.337 1.127 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.769 -29.287 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.525 -28.485 -0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.738 -29.036 2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.778 -27.350 1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.983 -28.127 2.841 1.00 0.00 H new ATOM 797 N HIS A 55 -12.397 -25.291 -2.800 1.00 0.00 N ATOM 798 CA HIS A 55 -13.071 -24.010 -2.618 1.00 0.00 C ATOM 799 C HIS A 55 -14.218 -23.854 -3.612 1.00 0.00 C ATOM 800 O HIS A 55 -15.361 -23.608 -3.223 1.00 0.00 O ATOM 801 CB HIS A 55 -12.077 -22.860 -2.784 1.00 0.00 C ATOM 802 CG HIS A 55 -12.731 -21.531 -3.006 1.00 0.00 C ATOM 803 ND1 HIS A 55 -13.209 -20.746 -1.977 1.00 0.00 N ATOM 804 CD2 HIS A 55 -12.983 -20.848 -4.147 1.00 0.00 C ATOM 805 CE1 HIS A 55 -13.728 -19.639 -2.476 1.00 0.00 C ATOM 806 NE2 HIS A 55 -13.604 -19.676 -3.791 1.00 0.00 N ATOM 0 H HIS A 55 -11.475 -25.225 -3.232 1.00 0.00 H new ATOM 0 HA HIS A 55 -13.482 -23.983 -1.609 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -11.449 -22.803 -1.895 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -11.420 -23.077 -3.626 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -12.741 -21.166 -5.150 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -14.177 -18.839 -1.906 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -13.918 -18.952 -4.437 1.00 0.00 H new ATOM 814 N LEU A 56 -13.907 -23.997 -4.895 1.00 0.00 N ATOM 815 CA LEU A 56 -14.912 -23.871 -5.945 1.00 0.00 C ATOM 816 C LEU A 56 -16.055 -24.857 -5.726 1.00 0.00 C ATOM 817 O LEU A 56 -17.112 -24.743 -6.345 1.00 0.00 O ATOM 818 CB LEU A 56 -14.277 -24.105 -7.317 1.00 0.00 C ATOM 819 CG LEU A 56 -13.076 -23.223 -7.660 1.00 0.00 C ATOM 820 CD1 LEU A 56 -12.177 -23.915 -8.672 1.00 0.00 C ATOM 821 CD2 LEU A 56 -13.539 -21.873 -8.189 1.00 0.00 C ATOM 0 H LEU A 56 -12.967 -24.200 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 56 -15.317 -22.860 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.966 -25.148 -7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.042 -23.956 -8.079 1.00 0.00 H new ATOM 0 HG LEU A 56 -12.501 -23.056 -6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.328 -23.272 -8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.817 -24.856 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.741 -24.114 -9.583 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.671 -21.259 -8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -14.138 -22.020 -9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -14.141 -21.372 -7.431 1.00 0.00 H new ATOM 833 N ARG A 57 -15.835 -25.822 -4.840 1.00 0.00 N ATOM 834 CA ARG A 57 -16.847 -26.827 -4.538 1.00 0.00 C ATOM 835 C ARG A 57 -17.935 -26.250 -3.638 1.00 0.00 C ATOM 836 O ARG A 57 -19.126 -26.445 -3.885 1.00 0.00 O ATOM 837 CB ARG A 57 -16.205 -28.042 -3.865 1.00 0.00 C ATOM 838 CG ARG A 57 -15.582 -29.023 -4.844 1.00 0.00 C ATOM 839 CD ARG A 57 -14.975 -30.218 -4.126 1.00 0.00 C ATOM 840 NE ARG A 57 -14.046 -30.955 -4.978 1.00 0.00 N ATOM 841 CZ ARG A 57 -13.070 -31.725 -4.508 1.00 0.00 C ATOM 842 NH1 ARG A 57 -12.898 -31.858 -3.200 1.00 0.00 N ATOM 843 NH2 ARG A 57 -12.265 -32.364 -5.347 1.00 0.00 N ATOM 0 H ARG A 57 -14.965 -25.929 -4.319 1.00 0.00 H new ATOM 0 HA ARG A 57 -17.304 -27.139 -5.477 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.438 -27.699 -3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -16.960 -28.561 -3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -16.340 -29.367 -5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.812 -28.518 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.454 -29.877 -3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.771 -30.885 -3.796 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.152 -30.874 -5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -13.515 -31.369 -2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.148 -32.450 -2.842 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.395 -32.265 -6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.516 -32.955 -4.985 1.00 0.00 H new ATOM 857 N ILE A 58 -17.519 -25.540 -2.595 1.00 0.00 N ATOM 858 CA ILE A 58 -18.459 -24.934 -1.660 1.00 0.00 C ATOM 859 C ILE A 58 -19.528 -24.134 -2.396 1.00 0.00 C ATOM 860 O ILE A 58 -20.701 -24.155 -2.022 1.00 0.00 O ATOM 861 CB ILE A 58 -17.740 -24.011 -0.659 1.00 0.00 C ATOM 862 CG1 ILE A 58 -17.655 -22.588 -1.215 1.00 0.00 C ATOM 863 CG2 ILE A 58 -16.351 -24.547 -0.346 1.00 0.00 C ATOM 864 CD1 ILE A 58 -16.787 -21.666 -0.387 1.00 0.00 C ATOM 0 H ILE A 58 -16.537 -25.370 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 58 -18.932 -25.750 -1.114 1.00 0.00 H new ATOM 0 HB ILE A 58 -18.315 -23.986 0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -17.263 -22.627 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -18.660 -22.170 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -15.856 -23.883 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -16.435 -25.544 0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -15.766 -24.599 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -16.773 -20.675 -0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -17.190 -21.597 0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -15.772 -22.061 -0.347 1.00 0.00 H new ATOM 876 N HIS A 59 -19.116 -23.431 -3.446 1.00 0.00 N ATOM 877 CA HIS A 59 -20.039 -22.625 -4.237 1.00 0.00 C ATOM 878 C HIS A 59 -21.322 -23.399 -4.529 1.00 0.00 C ATOM 879 O HIS A 59 -21.374 -24.204 -5.459 1.00 0.00 O ATOM 880 CB HIS A 59 -19.380 -22.195 -5.547 1.00 0.00 C ATOM 881 CG HIS A 59 -18.244 -21.236 -5.360 1.00 0.00 C ATOM 882 ND1 HIS A 59 -18.143 -20.393 -4.273 1.00 0.00 N ATOM 883 CD2 HIS A 59 -17.156 -20.991 -6.127 1.00 0.00 C ATOM 884 CE1 HIS A 59 -17.043 -19.669 -4.381 1.00 0.00 C ATOM 885 NE2 HIS A 59 -16.426 -20.014 -5.497 1.00 0.00 N ATOM 0 H HIS A 59 -18.149 -23.403 -3.769 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.294 -21.737 -3.659 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.015 -23.080 -6.068 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.132 -21.734 -6.188 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -16.908 -21.474 -7.061 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -16.706 -18.923 -3.677 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -15.549 -19.618 -5.836 1.00 0.00 H new ATOM 955 N PRO A 64 -32.163 -20.298 -8.602 1.00 0.00 N ATOM 956 CA PRO A 64 -32.323 -19.854 -9.989 1.00 0.00 C ATOM 957 C PRO A 64 -31.713 -18.477 -10.231 1.00 0.00 C ATOM 958 O PRO A 64 -30.983 -18.272 -11.201 1.00 0.00 O ATOM 959 CB PRO A 64 -33.842 -19.805 -10.173 1.00 0.00 C ATOM 960 CG PRO A 64 -34.384 -19.602 -8.800 1.00 0.00 C ATOM 961 CD PRO A 64 -33.443 -20.321 -7.873 1.00 0.00 C ATOM 0 HA PRO A 64 -31.816 -20.517 -10.690 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -34.134 -18.992 -10.838 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -34.217 -20.728 -10.614 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -34.439 -18.541 -8.555 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -35.395 -20.001 -8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -33.366 -19.818 -6.909 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -33.775 -21.340 -7.675 1.00 0.00 H new ATOM 969 N PHE A 65 -32.017 -17.536 -9.343 1.00 0.00 N ATOM 970 CA PHE A 65 -31.499 -16.178 -9.460 1.00 0.00 C ATOM 971 C PHE A 65 -30.100 -16.077 -8.860 1.00 0.00 C ATOM 972 O PHE A 65 -29.846 -16.568 -7.760 1.00 0.00 O ATOM 973 CB PHE A 65 -32.437 -15.190 -8.765 1.00 0.00 C ATOM 974 CG PHE A 65 -33.866 -15.301 -9.216 1.00 0.00 C ATOM 975 CD1 PHE A 65 -34.198 -15.149 -10.552 1.00 0.00 C ATOM 976 CD2 PHE A 65 -34.876 -15.559 -8.303 1.00 0.00 C ATOM 977 CE1 PHE A 65 -35.512 -15.250 -10.969 1.00 0.00 C ATOM 978 CE2 PHE A 65 -36.191 -15.662 -8.714 1.00 0.00 C ATOM 979 CZ PHE A 65 -36.510 -15.508 -10.049 1.00 0.00 C ATOM 0 H PHE A 65 -32.620 -17.689 -8.534 1.00 0.00 H new ATOM 0 HA PHE A 65 -31.440 -15.928 -10.519 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -32.391 -15.353 -7.688 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -32.084 -14.175 -8.949 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.422 -14.949 -11.276 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -34.632 -15.681 -7.258 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.758 -15.127 -12.013 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -36.969 -15.863 -7.992 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.537 -15.589 -10.373 1.00 0.00 H new ATOM 989 N LYS A 66 -29.194 -15.435 -9.591 1.00 0.00 N ATOM 990 CA LYS A 66 -27.820 -15.267 -9.133 1.00 0.00 C ATOM 991 C LYS A 66 -27.330 -13.846 -9.392 1.00 0.00 C ATOM 992 O LYS A 66 -27.819 -13.165 -10.294 1.00 0.00 O ATOM 993 CB LYS A 66 -26.901 -16.270 -9.833 1.00 0.00 C ATOM 994 CG LYS A 66 -27.301 -17.719 -9.612 1.00 0.00 C ATOM 995 CD LYS A 66 -26.480 -18.662 -10.476 1.00 0.00 C ATOM 996 CE LYS A 66 -27.215 -19.970 -10.727 1.00 0.00 C ATOM 997 NZ LYS A 66 -28.222 -19.840 -11.816 1.00 0.00 N ATOM 0 H LYS A 66 -29.387 -15.022 -10.504 1.00 0.00 H new ATOM 0 HA LYS A 66 -27.797 -15.450 -8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -26.898 -16.062 -10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -25.881 -16.125 -9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -27.168 -17.978 -8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -28.360 -17.844 -9.840 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -26.255 -18.182 -11.428 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -25.527 -18.867 -9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -26.496 -20.746 -10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -27.711 -20.290 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -28.517 -20.786 -12.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -29.050 -19.319 -11.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -27.804 -19.324 -12.616 1.00 0.00 H new ATOM 1011 N CYS A 67 -26.362 -13.404 -8.596 1.00 0.00 N ATOM 1012 CA CYS A 67 -25.805 -12.065 -8.740 1.00 0.00 C ATOM 1013 C CYS A 67 -24.482 -12.104 -9.500 1.00 0.00 C ATOM 1014 O CYS A 67 -23.742 -13.085 -9.426 1.00 0.00 O ATOM 1015 CB CYS A 67 -25.597 -11.426 -7.365 1.00 0.00 C ATOM 1016 SG CYS A 67 -24.841 -9.770 -7.421 1.00 0.00 S ATOM 0 H CYS A 67 -25.947 -13.954 -7.844 1.00 0.00 H new ATOM 0 HA CYS A 67 -26.513 -11.464 -9.310 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -26.560 -11.357 -6.859 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -24.967 -12.081 -6.763 1.00 0.00 H new ATOM 0 HG CYS A 67 -25.484 -9.028 -8.273 1.00 0.00 H new ATOM 1021 N GLN A 68 -24.193 -11.031 -10.229 1.00 0.00 N ATOM 1022 CA GLN A 68 -22.961 -10.944 -11.003 1.00 0.00 C ATOM 1023 C GLN A 68 -21.792 -10.518 -10.120 1.00 0.00 C ATOM 1024 O GLN A 68 -20.812 -11.249 -9.976 1.00 0.00 O ATOM 1025 CB GLN A 68 -23.128 -9.955 -12.159 1.00 0.00 C ATOM 1026 CG GLN A 68 -24.227 -10.342 -13.136 1.00 0.00 C ATOM 1027 CD GLN A 68 -23.871 -11.564 -13.960 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -22.723 -12.011 -13.965 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -24.855 -12.111 -14.664 1.00 0.00 N ATOM 0 H GLN A 68 -24.795 -10.211 -10.300 1.00 0.00 H new ATOM 0 HA GLN A 68 -22.746 -11.933 -11.408 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -23.346 -8.967 -11.753 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -22.184 -9.877 -12.699 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -25.147 -10.536 -12.584 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -24.426 -9.504 -13.804 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -25.791 -11.708 -14.630 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -24.675 -12.934 -15.238 1.00 0.00 H new ATOM 1038 N ILE A 69 -21.903 -9.332 -9.531 1.00 0.00 N ATOM 1039 CA ILE A 69 -20.856 -8.810 -8.662 1.00 0.00 C ATOM 1040 C ILE A 69 -20.417 -9.856 -7.643 1.00 0.00 C ATOM 1041 O ILE A 69 -19.223 -10.106 -7.468 1.00 0.00 O ATOM 1042 CB ILE A 69 -21.322 -7.546 -7.915 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -21.740 -6.464 -8.912 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -20.220 -7.035 -7.001 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -23.188 -6.563 -9.341 1.00 0.00 C ATOM 0 H ILE A 69 -22.708 -8.715 -9.640 1.00 0.00 H new ATOM 0 HA ILE A 69 -20.013 -8.553 -9.303 1.00 0.00 H new ATOM 0 HB ILE A 69 -22.186 -7.801 -7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -21.568 -5.484 -8.466 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -21.103 -6.529 -9.794 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -20.564 -6.142 -6.480 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -19.966 -7.805 -6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -19.339 -6.792 -7.594 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -23.413 -5.764 -10.048 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -23.361 -7.528 -9.817 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -23.833 -6.468 -8.468 1.00 0.00 H new ATOM 1057 N CYS A 70 -21.388 -10.466 -6.972 1.00 0.00 N ATOM 1058 CA CYS A 70 -21.103 -11.486 -5.971 1.00 0.00 C ATOM 1059 C CYS A 70 -21.801 -12.799 -6.317 1.00 0.00 C ATOM 1060 O CYS A 70 -22.842 -12.822 -6.974 1.00 0.00 O ATOM 1061 CB CYS A 70 -21.546 -11.010 -4.586 1.00 0.00 C ATOM 1062 SG CYS A 70 -23.353 -10.889 -4.385 1.00 0.00 S ATOM 0 H CYS A 70 -22.380 -10.271 -7.104 1.00 0.00 H new ATOM 0 HA CYS A 70 -20.027 -11.658 -5.961 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -21.153 -11.695 -3.835 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -21.103 -10.034 -4.390 1.00 0.00 H new ATOM 0 HG CYS A 70 -23.887 -10.479 -5.497 1.00 0.00 H new ATOM 1067 N PRO A 71 -21.216 -13.917 -5.864 1.00 0.00 N ATOM 1068 CA PRO A 71 -21.764 -15.254 -6.113 1.00 0.00 C ATOM 1069 C PRO A 71 -23.058 -15.502 -5.343 1.00 0.00 C ATOM 1070 O PRO A 71 -23.618 -16.597 -5.389 1.00 0.00 O ATOM 1071 CB PRO A 71 -20.659 -16.189 -5.616 1.00 0.00 C ATOM 1072 CG PRO A 71 -19.914 -15.390 -4.603 1.00 0.00 C ATOM 1073 CD PRO A 71 -19.974 -13.964 -5.074 1.00 0.00 C ATOM 0 HA PRO A 71 -22.024 -15.399 -7.162 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -21.075 -17.096 -5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -20.007 -16.500 -6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -20.364 -15.494 -3.616 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -18.882 -15.730 -4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -20.003 -13.266 -4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -19.104 -13.703 -5.677 1.00 0.00 H new ATOM 1081 N TYR A 72 -23.527 -14.478 -4.638 1.00 0.00 N ATOM 1082 CA TYR A 72 -24.753 -14.586 -3.858 1.00 0.00 C ATOM 1083 C TYR A 72 -25.836 -15.321 -4.642 1.00 0.00 C ATOM 1084 O TYR A 72 -25.714 -15.522 -5.850 1.00 0.00 O ATOM 1085 CB TYR A 72 -25.252 -13.197 -3.457 1.00 0.00 C ATOM 1086 CG TYR A 72 -26.533 -13.221 -2.655 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -26.531 -13.600 -1.318 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -27.746 -12.867 -3.234 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -27.699 -13.624 -0.581 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -28.918 -12.887 -2.504 1.00 0.00 C ATOM 1091 CZ TYR A 72 -28.890 -13.267 -1.178 1.00 0.00 C ATOM 1092 OH TYR A 72 -30.056 -13.289 -0.448 1.00 0.00 O ATOM 0 H TYR A 72 -23.076 -13.564 -4.591 1.00 0.00 H new ATOM 0 HA TYR A 72 -24.530 -15.159 -2.958 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -24.478 -12.697 -2.875 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -25.408 -12.603 -4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -25.600 -13.881 -0.847 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -27.772 -12.571 -4.272 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -27.680 -13.921 0.457 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -29.852 -12.607 -2.969 1.00 0.00 H new ATOM 0 HH TYR A 72 -30.803 -13.009 -1.017 1.00 0.00 H new ATOM 1102 N ALA A 73 -26.895 -15.719 -3.946 1.00 0.00 N ATOM 1103 CA ALA A 73 -28.001 -16.429 -4.576 1.00 0.00 C ATOM 1104 C ALA A 73 -29.253 -16.379 -3.706 1.00 0.00 C ATOM 1105 O ALA A 73 -29.171 -16.448 -2.480 1.00 0.00 O ATOM 1106 CB ALA A 73 -27.610 -17.872 -4.859 1.00 0.00 C ATOM 0 H ALA A 73 -27.011 -15.562 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 73 -28.227 -15.934 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -28.446 -18.390 -5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -26.749 -17.891 -5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -27.355 -18.370 -3.924 1.00 0.00 H new ATOM 1112 N SER A 74 -30.410 -16.259 -4.349 1.00 0.00 N ATOM 1113 CA SER A 74 -31.679 -16.195 -3.632 1.00 0.00 C ATOM 1114 C SER A 74 -32.806 -16.789 -4.471 1.00 0.00 C ATOM 1115 O SER A 74 -32.914 -16.517 -5.667 1.00 0.00 O ATOM 1116 CB SER A 74 -32.009 -14.747 -3.265 1.00 0.00 C ATOM 1117 OG SER A 74 -33.118 -14.685 -2.385 1.00 0.00 O ATOM 0 H SER A 74 -30.495 -16.204 -5.364 1.00 0.00 H new ATOM 0 HA SER A 74 -31.582 -16.780 -2.718 1.00 0.00 H new ATOM 0 HB2 SER A 74 -31.142 -14.281 -2.797 1.00 0.00 H new ATOM 0 HB3 SER A 74 -32.226 -14.179 -4.170 1.00 0.00 H new ATOM 0 HG SER A 74 -32.846 -14.258 -1.546 1.00 0.00 H new ATOM 1123 N ARG A 75 -33.644 -17.601 -3.835 1.00 0.00 N ATOM 1124 CA ARG A 75 -34.763 -18.235 -4.521 1.00 0.00 C ATOM 1125 C ARG A 75 -35.801 -17.199 -4.942 1.00 0.00 C ATOM 1126 O ARG A 75 -36.300 -17.226 -6.066 1.00 0.00 O ATOM 1127 CB ARG A 75 -35.413 -19.287 -3.620 1.00 0.00 C ATOM 1128 CG ARG A 75 -36.032 -18.708 -2.358 1.00 0.00 C ATOM 1129 CD ARG A 75 -36.738 -19.780 -1.542 1.00 0.00 C ATOM 1130 NE ARG A 75 -35.827 -20.847 -1.135 1.00 0.00 N ATOM 1131 CZ ARG A 75 -36.160 -21.813 -0.287 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -37.375 -21.846 0.241 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -35.276 -22.749 0.034 1.00 0.00 N ATOM 0 H ARG A 75 -33.569 -17.835 -2.845 1.00 0.00 H new ATOM 0 HA ARG A 75 -34.377 -18.722 -5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -36.184 -19.811 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -34.663 -20.027 -3.340 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -35.256 -18.240 -1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -36.742 -17.926 -2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -37.184 -19.327 -0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -37.553 -20.204 -2.128 1.00 0.00 H new ATOM 0 HE ARG A 75 -34.884 -20.850 -1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -38.057 -21.128 -0.004 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -37.628 -22.589 0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -34.340 -22.727 -0.371 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -35.532 -23.491 0.685 1.00 0.00 H new ATOM 1147 N ASN A 76 -36.121 -16.286 -4.030 1.00 0.00 N ATOM 1148 CA ASN A 76 -37.100 -15.241 -4.305 1.00 0.00 C ATOM 1149 C ASN A 76 -36.502 -14.157 -5.196 1.00 0.00 C ATOM 1150 O ASN A 76 -35.310 -14.176 -5.500 1.00 0.00 O ATOM 1151 CB ASN A 76 -37.601 -14.625 -2.998 1.00 0.00 C ATOM 1152 CG ASN A 76 -38.715 -15.436 -2.365 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -38.547 -16.005 -1.286 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -39.860 -15.493 -3.035 1.00 0.00 N ATOM 0 H ASN A 76 -35.716 -16.249 -3.094 1.00 0.00 H new ATOM 0 HA ASN A 76 -37.941 -15.694 -4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -36.771 -14.544 -2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -37.956 -13.613 -3.190 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -40.645 -16.024 -2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -39.954 -15.006 -3.926 1.00 0.00 H new ATOM 1161 N SER A 77 -37.339 -13.211 -5.610 1.00 0.00 N ATOM 1162 CA SER A 77 -36.895 -12.119 -6.469 1.00 0.00 C ATOM 1163 C SER A 77 -36.580 -10.874 -5.645 1.00 0.00 C ATOM 1164 O SER A 77 -35.464 -10.355 -5.685 1.00 0.00 O ATOM 1165 CB SER A 77 -37.964 -11.796 -7.514 1.00 0.00 C ATOM 1166 OG SER A 77 -37.536 -10.756 -8.377 1.00 0.00 O ATOM 0 H SER A 77 -38.328 -13.179 -5.364 1.00 0.00 H new ATOM 0 HA SER A 77 -35.985 -12.437 -6.978 1.00 0.00 H new ATOM 0 HB2 SER A 77 -38.187 -12.689 -8.098 1.00 0.00 H new ATOM 0 HB3 SER A 77 -38.888 -11.502 -7.015 1.00 0.00 H new ATOM 0 HG SER A 77 -38.236 -10.569 -9.037 1.00 0.00 H new ATOM 1172 N SER A 78 -37.572 -10.400 -4.898 1.00 0.00 N ATOM 1173 CA SER A 78 -37.403 -9.213 -4.067 1.00 0.00 C ATOM 1174 C SER A 78 -36.055 -9.236 -3.354 1.00 0.00 C ATOM 1175 O SER A 78 -35.246 -8.322 -3.506 1.00 0.00 O ATOM 1176 CB SER A 78 -38.534 -9.119 -3.041 1.00 0.00 C ATOM 1177 OG SER A 78 -38.536 -7.855 -2.400 1.00 0.00 O ATOM 0 H SER A 78 -38.501 -10.819 -4.851 1.00 0.00 H new ATOM 0 HA SER A 78 -37.436 -8.338 -4.716 1.00 0.00 H new ATOM 0 HB2 SER A 78 -39.492 -9.282 -3.535 1.00 0.00 H new ATOM 0 HB3 SER A 78 -38.421 -9.908 -2.297 1.00 0.00 H new ATOM 0 HG SER A 78 -39.269 -7.819 -1.750 1.00 0.00 H new ATOM 1183 N GLN A 79 -35.822 -10.289 -2.577 1.00 0.00 N ATOM 1184 CA GLN A 79 -34.572 -10.432 -1.840 1.00 0.00 C ATOM 1185 C GLN A 79 -33.392 -9.928 -2.665 1.00 0.00 C ATOM 1186 O GLN A 79 -32.619 -9.083 -2.212 1.00 0.00 O ATOM 1187 CB GLN A 79 -34.349 -11.894 -1.449 1.00 0.00 C ATOM 1188 CG GLN A 79 -35.061 -12.296 -0.168 1.00 0.00 C ATOM 1189 CD GLN A 79 -36.517 -12.651 -0.395 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -37.297 -11.835 -0.887 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -36.892 -13.873 -0.037 1.00 0.00 N ATOM 0 H GLN A 79 -36.482 -11.055 -2.442 1.00 0.00 H new ATOM 0 HA GLN A 79 -34.643 -9.829 -0.935 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -34.691 -12.535 -2.262 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -33.280 -12.071 -1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -34.548 -13.149 0.276 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -34.998 -11.478 0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -36.212 -14.517 0.367 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -37.860 -14.168 -0.166 1.00 0.00 H new ATOM 1200 N LEU A 80 -33.259 -10.453 -3.878 1.00 0.00 N ATOM 1201 CA LEU A 80 -32.173 -10.057 -4.768 1.00 0.00 C ATOM 1202 C LEU A 80 -32.332 -8.606 -5.210 1.00 0.00 C ATOM 1203 O LEU A 80 -31.368 -7.840 -5.228 1.00 0.00 O ATOM 1204 CB LEU A 80 -32.130 -10.973 -5.992 1.00 0.00 C ATOM 1205 CG LEU A 80 -30.987 -10.724 -6.977 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -29.712 -11.400 -6.496 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -31.364 -11.218 -8.366 1.00 0.00 C ATOM 0 H LEU A 80 -33.889 -11.154 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 80 -31.236 -10.150 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -32.067 -12.005 -5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -33.074 -10.874 -6.529 1.00 0.00 H new ATOM 0 HG LEU A 80 -30.806 -9.651 -7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -28.909 -11.212 -7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -29.433 -10.999 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -29.879 -12.474 -6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -30.539 -11.033 -9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -31.572 -12.287 -8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -32.251 -10.688 -8.712 1.00 0.00 H new ATOM 1219 N THR A 81 -33.558 -8.232 -5.564 1.00 0.00 N ATOM 1220 CA THR A 81 -33.845 -6.872 -6.005 1.00 0.00 C ATOM 1221 C THR A 81 -33.251 -5.847 -5.047 1.00 0.00 C ATOM 1222 O THR A 81 -32.640 -4.866 -5.471 1.00 0.00 O ATOM 1223 CB THR A 81 -35.361 -6.629 -6.124 1.00 0.00 C ATOM 1224 OG1 THR A 81 -35.931 -7.540 -7.071 1.00 0.00 O ATOM 1225 CG2 THR A 81 -35.647 -5.198 -6.555 1.00 0.00 C ATOM 0 H THR A 81 -34.368 -8.852 -5.554 1.00 0.00 H new ATOM 0 HA THR A 81 -33.387 -6.755 -6.987 1.00 0.00 H new ATOM 0 HB THR A 81 -35.811 -6.795 -5.145 1.00 0.00 H new ATOM 0 HG1 THR A 81 -35.911 -8.448 -6.704 1.00 0.00 H new ATOM 0 HG21 THR A 81 -36.724 -5.050 -6.632 1.00 0.00 H new ATOM 0 HG22 THR A 81 -35.238 -4.507 -5.818 1.00 0.00 H new ATOM 0 HG23 THR A 81 -35.184 -5.011 -7.524 1.00 0.00 H new ATOM 1233 N VAL A 82 -33.433 -6.079 -3.750 1.00 0.00 N ATOM 1234 CA VAL A 82 -32.914 -5.176 -2.731 1.00 0.00 C ATOM 1235 C VAL A 82 -31.407 -5.342 -2.566 1.00 0.00 C ATOM 1236 O VAL A 82 -30.664 -4.361 -2.525 1.00 0.00 O ATOM 1237 CB VAL A 82 -33.597 -5.412 -1.371 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -33.005 -4.497 -0.310 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -35.099 -5.205 -1.487 1.00 0.00 C ATOM 0 H VAL A 82 -33.937 -6.886 -3.381 1.00 0.00 H new ATOM 0 HA VAL A 82 -33.131 -4.162 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 82 -33.417 -6.444 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -33.500 -4.678 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -31.939 -4.699 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -33.152 -3.457 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -35.566 -5.376 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -35.302 -4.185 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -35.508 -5.906 -2.215 1.00 0.00 H new ATOM 1249 N HIS A 83 -30.962 -6.591 -2.473 1.00 0.00 N ATOM 1250 CA HIS A 83 -29.542 -6.886 -2.314 1.00 0.00 C ATOM 1251 C HIS A 83 -28.713 -6.148 -3.360 1.00 0.00 C ATOM 1252 O HIS A 83 -27.771 -5.429 -3.026 1.00 0.00 O ATOM 1253 CB HIS A 83 -29.298 -8.392 -2.421 1.00 0.00 C ATOM 1254 CG HIS A 83 -27.948 -8.742 -2.967 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -26.906 -9.180 -2.176 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -27.472 -8.719 -4.234 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -25.848 -9.409 -2.932 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -26.165 -9.137 -4.186 1.00 0.00 N ATOM 0 H HIS A 83 -31.563 -7.414 -2.505 1.00 0.00 H new ATOM 0 HA HIS A 83 -29.233 -6.545 -1.326 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -29.409 -8.841 -1.434 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -30.064 -8.832 -3.059 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -26.947 -9.307 -1.165 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -28.019 -8.426 -5.118 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -24.887 -9.759 -2.585 1.00 0.00 H new ATOM 1266 N LEU A 84 -29.068 -6.332 -4.627 1.00 0.00 N ATOM 1267 CA LEU A 84 -28.356 -5.684 -5.723 1.00 0.00 C ATOM 1268 C LEU A 84 -28.079 -4.219 -5.402 1.00 0.00 C ATOM 1269 O LEU A 84 -26.978 -3.720 -5.634 1.00 0.00 O ATOM 1270 CB LEU A 84 -29.166 -5.790 -7.016 1.00 0.00 C ATOM 1271 CG LEU A 84 -28.973 -7.073 -7.826 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -29.988 -7.148 -8.956 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -27.556 -7.149 -8.374 1.00 0.00 C ATOM 0 H LEU A 84 -29.845 -6.925 -4.921 1.00 0.00 H new ATOM 0 HA LEU A 84 -27.402 -6.194 -5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -30.223 -5.697 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -28.912 -4.941 -7.651 1.00 0.00 H new ATOM 0 HG LEU A 84 -29.132 -7.925 -7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -29.836 -8.067 -9.522 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -30.996 -7.140 -8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -29.861 -6.290 -9.617 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -27.437 -8.068 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -27.369 -6.291 -9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -26.845 -7.142 -7.547 1.00 0.00 H new ATOM 1285 N ARG A 85 -29.085 -3.536 -4.865 1.00 0.00 N ATOM 1286 CA ARG A 85 -28.949 -2.128 -4.510 1.00 0.00 C ATOM 1287 C ARG A 85 -27.623 -1.872 -3.799 1.00 0.00 C ATOM 1288 O ARG A 85 -26.990 -0.836 -3.999 1.00 0.00 O ATOM 1289 CB ARG A 85 -30.111 -1.691 -3.617 1.00 0.00 C ATOM 1290 CG ARG A 85 -31.478 -1.914 -4.244 1.00 0.00 C ATOM 1291 CD ARG A 85 -32.594 -1.427 -3.334 1.00 0.00 C ATOM 1292 NE ARG A 85 -32.515 0.011 -3.092 1.00 0.00 N ATOM 1293 CZ ARG A 85 -33.091 0.616 -2.059 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -33.785 -0.090 -1.176 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -32.973 1.929 -1.906 1.00 0.00 N ATOM 0 H ARG A 85 -30.003 -3.935 -4.666 1.00 0.00 H new ATOM 0 HA ARG A 85 -28.967 -1.544 -5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -30.059 -2.237 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -29.998 -0.633 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -31.531 -1.391 -5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -31.615 -2.975 -4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -33.558 -1.667 -3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -32.544 -1.958 -2.383 1.00 0.00 H new ATOM 0 HE ARG A 85 -31.988 0.583 -3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -33.877 -1.099 -1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -34.226 0.377 -0.384 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -32.439 2.475 -2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -33.416 2.392 -1.112 1.00 0.00 H new ATOM 1309 N SER A 86 -27.209 -2.824 -2.969 1.00 0.00 N ATOM 1310 CA SER A 86 -25.962 -2.700 -2.224 1.00 0.00 C ATOM 1311 C SER A 86 -24.805 -2.355 -3.157 1.00 0.00 C ATOM 1312 O SER A 86 -23.937 -1.550 -2.818 1.00 0.00 O ATOM 1313 CB SER A 86 -25.658 -3.999 -1.475 1.00 0.00 C ATOM 1314 OG SER A 86 -26.518 -4.157 -0.360 1.00 0.00 O ATOM 0 H SER A 86 -27.719 -3.690 -2.796 1.00 0.00 H new ATOM 0 HA SER A 86 -26.078 -1.892 -1.502 1.00 0.00 H new ATOM 0 HB2 SER A 86 -25.773 -4.847 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 86 -24.621 -3.996 -1.141 1.00 0.00 H new ATOM 0 HG SER A 86 -26.305 -4.995 0.101 1.00 0.00 H new ATOM 1320 N HIS A 87 -24.799 -2.971 -4.336 1.00 0.00 N ATOM 1321 CA HIS A 87 -23.750 -2.730 -5.319 1.00 0.00 C ATOM 1322 C HIS A 87 -23.930 -1.368 -5.983 1.00 0.00 C ATOM 1323 O HIS A 87 -24.505 -1.265 -7.067 1.00 0.00 O ATOM 1324 CB HIS A 87 -23.753 -3.832 -6.380 1.00 0.00 C ATOM 1325 CG HIS A 87 -23.651 -5.213 -5.809 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -22.592 -5.629 -5.030 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -24.485 -6.274 -5.906 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -22.779 -6.888 -4.674 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -23.920 -7.303 -5.192 1.00 0.00 N ATOM 0 H HIS A 87 -25.509 -3.640 -4.633 1.00 0.00 H new ATOM 0 HA HIS A 87 -22.791 -2.738 -4.800 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -24.668 -3.757 -6.967 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -22.921 -3.668 -7.065 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -25.421 -6.306 -6.444 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -22.111 -7.477 -4.063 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -24.318 -8.236 -5.080 1.00 0.00 H new