USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 566 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 16 TYR OH : rot -110:sc= 0.258 USER MOD Set 1.2: A 62 ASN : amide:sc= -1.69 X(o=-4.4,f=-4.5!) USER MOD Set 1.3: A 65 ASN : amide:sc= -2.92 X(o=-4.4,f=-4.7!) USER MOD Set 2.1: A 32 LYS NZ :NH3+ -101:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 33 ASN : amide:sc= -0.562! C(o=0.68!,f=-7.4!) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.357 F(o=-1.2,f=-0.36) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.645 F(o=-2.2!,f=-0.64) USER MOD Single : A 24 SER OG : rot -100:sc= -1.27! USER MOD Single : A 26 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.54) USER MOD Single : A 35 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-2.5!) USER MOD Single : A 36 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.22) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0.147 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 87:sc= 1.27 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.025) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= -0.776! C(o=-0.78!,f=-5.2!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 97:sc= 1.3 USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00317) USER MOD Single : A 76 ASN : amide:sc= -0.0077 X(o=-0.0077,f=0) USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 THR OG1 : rot 173:sc= 0.00445 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -3.858 8.479 8.762 1.00 0.00 N ATOM 35 CA CYS A 3 -3.217 8.522 7.405 1.00 0.00 C ATOM 36 C CYS A 3 -2.420 9.824 7.229 1.00 0.00 C ATOM 37 O CYS A 3 -2.418 10.437 6.184 1.00 0.00 O ATOM 38 CB CYS A 3 -4.286 8.425 6.279 1.00 0.00 C ATOM 39 SG CYS A 3 -3.551 7.951 4.695 1.00 0.00 S ATOM 0 HA CYS A 3 -2.544 7.668 7.331 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.045 7.695 6.560 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.791 9.385 6.173 1.00 0.00 H new ATOM 44 N GLY A 4 -1.732 10.221 8.263 1.00 0.00 N ATOM 45 CA GLY A 4 -0.925 11.484 8.181 1.00 0.00 C ATOM 46 C GLY A 4 0.468 11.170 7.626 1.00 0.00 C ATOM 47 O GLY A 4 0.999 11.902 6.818 1.00 0.00 O ATOM 0 H GLY A 4 -1.689 9.734 9.158 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.428 12.208 7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.840 11.938 9.168 1.00 0.00 H new ATOM 51 N HIS A 5 1.038 10.079 8.070 1.00 0.00 N ATOM 52 CA HIS A 5 2.403 9.694 7.576 1.00 0.00 C ATOM 53 C HIS A 5 2.281 8.533 6.579 1.00 0.00 C ATOM 54 O HIS A 5 3.075 8.413 5.669 1.00 0.00 O ATOM 55 CB HIS A 5 3.307 9.240 8.734 1.00 0.00 C ATOM 56 CG HIS A 5 4.743 9.048 8.195 1.00 0.00 C ATOM 57 ND1 HIS A 5 5.341 9.425 6.998 1.00 0.00 N flip ATOM 58 CD2 HIS A 5 5.694 8.453 8.832 1.00 0.00 C flip ATOM 59 CE1 HIS A 5 6.602 9.048 6.972 1.00 0.00 C flip ATOM 60 NE2 HIS A 5 6.777 8.452 8.123 1.00 0.00 N flip ATOM 0 H HIS A 5 0.624 9.439 8.748 1.00 0.00 H new ATOM 0 HA HIS A 5 2.844 10.570 7.100 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.299 9.982 9.533 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.936 8.308 9.160 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.600 8.018 9.816 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.325 9.196 6.183 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.659 8.037 8.425 1.00 0.00 H new ATOM 68 N VAL A 6 1.300 7.689 6.759 1.00 0.00 N ATOM 69 CA VAL A 6 1.112 6.537 5.824 1.00 0.00 C ATOM 70 C VAL A 6 0.749 7.032 4.422 1.00 0.00 C ATOM 71 O VAL A 6 1.188 6.471 3.438 1.00 0.00 O ATOM 72 CB VAL A 6 -0.027 5.611 6.314 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.289 4.609 5.211 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.314 4.937 7.622 1.00 0.00 C ATOM 0 H VAL A 6 0.618 7.747 7.515 1.00 0.00 H new ATOM 0 HA VAL A 6 2.053 5.987 5.795 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.926 6.192 6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.088 3.933 5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.585 5.136 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.617 4.035 5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.513 4.297 7.928 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.213 4.333 7.497 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.489 5.694 8.387 1.00 0.00 H new ATOM 84 N ASP A 7 -0.055 8.055 4.358 1.00 0.00 N ATOM 85 CA ASP A 7 -0.480 8.628 3.041 1.00 0.00 C ATOM 86 C ASP A 7 0.731 8.894 2.138 1.00 0.00 C ATOM 87 O ASP A 7 0.746 8.593 0.963 1.00 0.00 O ATOM 88 CB ASP A 7 -1.227 9.953 3.285 1.00 0.00 C ATOM 89 CG ASP A 7 -1.886 10.404 1.993 1.00 0.00 C ATOM 90 OD1 ASP A 7 -2.768 9.689 1.556 1.00 0.00 O ATOM 91 OD2 ASP A 7 -1.507 11.435 1.462 1.00 0.00 O ATOM 0 H ASP A 7 -0.444 8.529 5.173 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.131 7.908 2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.979 9.822 4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.533 10.715 3.638 1.00 0.00 H new ATOM 96 N SER A 8 1.748 9.460 2.724 1.00 0.00 N ATOM 97 CA SER A 8 2.993 9.784 1.958 1.00 0.00 C ATOM 98 C SER A 8 3.860 8.530 1.754 1.00 0.00 C ATOM 99 O SER A 8 4.661 8.463 0.844 1.00 0.00 O ATOM 100 CB SER A 8 3.757 10.863 2.757 1.00 0.00 C ATOM 101 OG SER A 8 4.868 11.242 1.954 1.00 0.00 O ATOM 0 H SER A 8 1.774 9.716 3.711 1.00 0.00 H new ATOM 0 HA SER A 8 2.742 10.154 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.116 11.720 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.088 10.473 3.719 1.00 0.00 H new ATOM 0 HG SER A 8 5.388 11.931 2.419 1.00 0.00 H new ATOM 107 N LEU A 9 3.697 7.550 2.607 1.00 0.00 N ATOM 108 CA LEU A 9 4.478 6.300 2.507 1.00 0.00 C ATOM 109 C LEU A 9 3.956 5.410 1.368 1.00 0.00 C ATOM 110 O LEU A 9 4.730 4.794 0.663 1.00 0.00 O ATOM 111 CB LEU A 9 4.344 5.624 3.879 1.00 0.00 C ATOM 112 CG LEU A 9 5.217 6.318 4.973 1.00 0.00 C ATOM 113 CD1 LEU A 9 4.810 5.851 6.352 1.00 0.00 C ATOM 114 CD2 LEU A 9 6.666 5.935 4.793 1.00 0.00 C ATOM 0 H LEU A 9 3.037 7.574 3.384 1.00 0.00 H new ATOM 0 HA LEU A 9 5.524 6.490 2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.299 5.640 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.636 4.577 3.795 1.00 0.00 H new ATOM 0 HG LEU A 9 5.076 7.394 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.429 6.345 7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.763 6.099 6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.944 4.772 6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.269 6.422 5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.770 4.854 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.006 6.252 3.807 1.00 0.00 H new ATOM 126 N VAL A 10 2.661 5.354 1.221 1.00 0.00 N ATOM 127 CA VAL A 10 2.027 4.520 0.140 1.00 0.00 C ATOM 128 C VAL A 10 1.956 5.288 -1.191 1.00 0.00 C ATOM 129 O VAL A 10 1.822 4.707 -2.251 1.00 0.00 O ATOM 130 CB VAL A 10 0.580 4.131 0.577 1.00 0.00 C ATOM 131 CG1 VAL A 10 0.617 3.356 1.873 1.00 0.00 C ATOM 132 CG2 VAL A 10 -0.282 5.362 0.748 1.00 0.00 C ATOM 0 H VAL A 10 1.998 5.857 1.811 1.00 0.00 H new ATOM 0 HA VAL A 10 2.638 3.630 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 10 0.148 3.508 -0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.398 3.090 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.205 2.448 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.072 3.969 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.285 5.064 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.153 6.007 1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.335 5.903 -0.197 1.00 0.00 H new ATOM 142 N ARG A 11 2.028 6.588 -1.114 1.00 0.00 N ATOM 143 CA ARG A 11 1.973 7.444 -2.346 1.00 0.00 C ATOM 144 C ARG A 11 3.034 7.075 -3.417 1.00 0.00 C ATOM 145 O ARG A 11 2.706 6.976 -4.586 1.00 0.00 O ATOM 146 CB ARG A 11 2.135 8.938 -1.888 1.00 0.00 C ATOM 147 CG ARG A 11 0.893 9.853 -2.190 1.00 0.00 C ATOM 148 CD ARG A 11 -0.463 9.261 -1.690 1.00 0.00 C ATOM 149 NE ARG A 11 -1.257 10.376 -1.049 1.00 0.00 N ATOM 150 CZ ARG A 11 -2.375 10.811 -1.553 1.00 0.00 C ATOM 151 NH1 ARG A 11 -2.411 11.007 -2.838 1.00 0.00 N ATOM 152 NH2 ARG A 11 -3.366 11.015 -0.741 1.00 0.00 N ATOM 0 H ARG A 11 2.124 7.106 -0.241 1.00 0.00 H new ATOM 0 HA ARG A 11 1.014 7.277 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.331 8.956 -0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.010 9.362 -2.380 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.048 10.826 -1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.831 10.022 -3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.019 8.828 -2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.286 8.459 -0.973 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.904 10.802 -0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.584 10.820 -3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.266 11.347 -3.278 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.253 10.835 0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.258 11.356 -1.100 1.00 0.00 H new ATOM 166 N PRO A 12 4.280 6.903 -3.030 1.00 0.00 N ATOM 167 CA PRO A 12 5.348 6.497 -3.985 1.00 0.00 C ATOM 168 C PRO A 12 5.073 5.187 -4.741 1.00 0.00 C ATOM 169 O PRO A 12 5.480 5.055 -5.879 1.00 0.00 O ATOM 170 CB PRO A 12 6.622 6.448 -3.109 1.00 0.00 C ATOM 171 CG PRO A 12 6.073 6.191 -1.688 1.00 0.00 C ATOM 172 CD PRO A 12 4.834 7.080 -1.652 1.00 0.00 C ATOM 0 HA PRO A 12 5.432 7.203 -4.812 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.298 5.655 -3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.181 7.383 -3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.825 5.141 -1.532 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.793 6.466 -0.918 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.127 6.763 -0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.085 8.120 -1.444 1.00 0.00 H new ATOM 180 N CYS A 13 4.410 4.233 -4.124 1.00 0.00 N ATOM 181 CA CYS A 13 4.144 2.977 -4.837 1.00 0.00 C ATOM 182 C CYS A 13 2.956 3.130 -5.793 1.00 0.00 C ATOM 183 O CYS A 13 2.835 2.415 -6.766 1.00 0.00 O ATOM 184 CB CYS A 13 3.908 1.980 -3.786 1.00 0.00 C ATOM 185 SG CYS A 13 5.304 1.571 -2.713 1.00 0.00 S ATOM 0 H CYS A 13 4.053 4.284 -3.170 1.00 0.00 H new ATOM 0 HA CYS A 13 4.975 2.673 -5.473 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.092 2.337 -3.158 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.566 1.061 -4.262 1.00 0.00 H new ATOM 190 N LEU A 14 2.082 4.057 -5.514 1.00 0.00 N ATOM 191 CA LEU A 14 0.888 4.289 -6.408 1.00 0.00 C ATOM 192 C LEU A 14 1.342 4.807 -7.787 1.00 0.00 C ATOM 193 O LEU A 14 0.720 4.536 -8.799 1.00 0.00 O ATOM 194 CB LEU A 14 -0.080 5.365 -5.825 1.00 0.00 C ATOM 195 CG LEU A 14 -1.155 4.805 -4.861 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.549 4.316 -3.570 1.00 0.00 C ATOM 197 CD2 LEU A 14 -2.106 5.931 -4.531 1.00 0.00 C ATOM 0 H LEU A 14 2.135 4.673 -4.703 1.00 0.00 H new ATOM 0 HA LEU A 14 0.376 3.330 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.507 6.116 -5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.579 5.872 -6.651 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.655 3.966 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.336 3.931 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.167 3.522 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.039 5.141 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.878 5.568 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.557 6.744 -4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.571 6.295 -5.447 1.00 0.00 H new ATOM 209 N SER A 15 2.404 5.575 -7.799 1.00 0.00 N ATOM 210 CA SER A 15 2.930 6.122 -9.099 1.00 0.00 C ATOM 211 C SER A 15 3.161 5.026 -10.148 1.00 0.00 C ATOM 212 O SER A 15 3.168 5.278 -11.336 1.00 0.00 O ATOM 213 CB SER A 15 4.251 6.857 -8.834 1.00 0.00 C ATOM 214 OG SER A 15 3.832 7.957 -8.034 1.00 0.00 O ATOM 0 H SER A 15 2.931 5.849 -6.970 1.00 0.00 H new ATOM 0 HA SER A 15 2.178 6.802 -9.500 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.970 6.225 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.726 7.185 -9.759 1.00 0.00 H new ATOM 0 HG SER A 15 4.609 8.505 -7.799 1.00 0.00 H new ATOM 220 N TYR A 16 3.342 3.818 -9.696 1.00 0.00 N ATOM 221 CA TYR A 16 3.577 2.680 -10.642 1.00 0.00 C ATOM 222 C TYR A 16 2.239 2.001 -10.945 1.00 0.00 C ATOM 223 O TYR A 16 1.907 1.708 -12.079 1.00 0.00 O ATOM 224 CB TYR A 16 4.554 1.746 -9.947 1.00 0.00 C ATOM 225 CG TYR A 16 4.918 0.547 -10.816 1.00 0.00 C ATOM 226 CD1 TYR A 16 5.657 0.725 -11.965 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.509 -0.722 -10.467 1.00 0.00 C ATOM 228 CE1 TYR A 16 5.978 -0.353 -12.748 1.00 0.00 C ATOM 229 CE2 TYR A 16 4.833 -1.802 -11.253 1.00 0.00 C ATOM 230 CZ TYR A 16 5.568 -1.618 -12.400 1.00 0.00 C ATOM 231 OH TYR A 16 5.894 -2.671 -13.228 1.00 0.00 O ATOM 0 H TYR A 16 3.338 3.563 -8.708 1.00 0.00 H new ATOM 0 HA TYR A 16 3.993 3.000 -11.597 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.460 2.295 -9.690 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.117 1.396 -9.012 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.984 1.715 -12.249 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.929 -0.869 -9.568 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.559 -0.207 -13.647 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.511 -2.793 -10.970 1.00 0.00 H new ATOM 0 HH TYR A 16 5.084 -3.004 -13.668 1.00 0.00 H new ATOM 241 N VAL A 17 1.496 1.768 -9.907 1.00 0.00 N ATOM 242 CA VAL A 17 0.157 1.110 -10.073 1.00 0.00 C ATOM 243 C VAL A 17 -0.735 1.857 -11.072 1.00 0.00 C ATOM 244 O VAL A 17 -1.583 1.263 -11.708 1.00 0.00 O ATOM 245 CB VAL A 17 -0.575 1.042 -8.729 1.00 0.00 C ATOM 246 CG1 VAL A 17 -1.745 0.100 -8.878 1.00 0.00 C ATOM 247 CG2 VAL A 17 0.394 0.559 -7.682 1.00 0.00 C ATOM 0 H VAL A 17 1.749 2.001 -8.947 1.00 0.00 H new ATOM 0 HA VAL A 17 0.348 0.107 -10.456 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.950 2.019 -8.424 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.283 0.035 -7.932 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.416 0.473 -9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.382 -0.889 -9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.110 0.504 -6.717 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.762 -0.430 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.232 1.252 -7.614 1.00 0.00 H new ATOM 257 N GLN A 18 -0.569 3.142 -11.194 1.00 0.00 N ATOM 258 CA GLN A 18 -1.398 3.908 -12.143 1.00 0.00 C ATOM 259 C GLN A 18 -1.095 3.527 -13.605 1.00 0.00 C ATOM 260 O GLN A 18 -1.884 3.798 -14.484 1.00 0.00 O ATOM 261 CB GLN A 18 -1.115 5.352 -11.795 1.00 0.00 C ATOM 262 CG GLN A 18 0.246 5.899 -12.301 1.00 0.00 C ATOM 263 CD GLN A 18 0.568 7.220 -11.574 1.00 0.00 C ATOM 264 OE1 GLN A 18 -0.276 7.699 -10.711 1.00 0.00 O flip ATOM 265 NE2 GLN A 18 1.592 7.841 -11.764 1.00 0.00 N flip ATOM 0 H GLN A 18 0.112 3.693 -10.671 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.464 3.696 -12.058 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.913 5.971 -12.206 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.152 5.462 -10.711 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.035 5.169 -12.119 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.207 6.064 -13.378 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.280 7.497 -12.434 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.765 8.707 -11.254 1.00 0.00 H new ATOM 274 N GLY A 19 0.037 2.908 -13.827 1.00 0.00 N ATOM 275 CA GLY A 19 0.440 2.481 -15.207 1.00 0.00 C ATOM 276 C GLY A 19 1.414 3.485 -15.824 1.00 0.00 C ATOM 277 O GLY A 19 1.312 3.860 -16.973 1.00 0.00 O ATOM 0 H GLY A 19 0.712 2.675 -13.099 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.904 1.495 -15.167 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.445 2.391 -15.838 1.00 0.00 H new ATOM 281 N GLY A 20 2.356 3.903 -15.024 1.00 0.00 N ATOM 282 CA GLY A 20 3.380 4.886 -15.500 1.00 0.00 C ATOM 283 C GLY A 20 4.759 4.465 -14.991 1.00 0.00 C ATOM 284 O GLY A 20 4.898 3.396 -14.422 1.00 0.00 O ATOM 0 H GLY A 20 2.464 3.606 -14.054 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.380 4.930 -16.589 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.136 5.886 -15.140 1.00 0.00 H new ATOM 288 N PRO A 21 5.751 5.301 -15.190 1.00 0.00 N ATOM 289 CA PRO A 21 7.129 5.011 -14.703 1.00 0.00 C ATOM 290 C PRO A 21 7.160 5.100 -13.165 1.00 0.00 C ATOM 291 O PRO A 21 6.658 6.050 -12.593 1.00 0.00 O ATOM 292 CB PRO A 21 7.981 6.060 -15.406 1.00 0.00 C ATOM 293 CG PRO A 21 7.006 7.270 -15.481 1.00 0.00 C ATOM 294 CD PRO A 21 5.671 6.612 -15.894 1.00 0.00 C ATOM 0 HA PRO A 21 7.497 4.009 -14.926 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.883 6.297 -14.843 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.300 5.731 -16.395 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.924 7.783 -14.523 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.335 8.009 -16.211 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.809 7.197 -15.573 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.590 6.492 -16.974 1.00 0.00 H new ATOM 302 N GLY A 22 7.749 4.129 -12.516 1.00 0.00 N ATOM 303 CA GLY A 22 7.808 4.151 -11.031 1.00 0.00 C ATOM 304 C GLY A 22 8.140 2.741 -10.526 1.00 0.00 C ATOM 305 O GLY A 22 8.619 1.924 -11.287 1.00 0.00 O ATOM 0 H GLY A 22 8.192 3.322 -12.955 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.564 4.860 -10.694 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.854 4.484 -10.621 1.00 0.00 H new ATOM 309 N PRO A 23 7.868 2.478 -9.270 1.00 0.00 N ATOM 310 CA PRO A 23 7.202 3.435 -8.348 1.00 0.00 C ATOM 311 C PRO A 23 8.127 4.585 -7.944 1.00 0.00 C ATOM 312 O PRO A 23 7.865 5.716 -8.299 1.00 0.00 O ATOM 313 CB PRO A 23 6.768 2.541 -7.197 1.00 0.00 C ATOM 314 CG PRO A 23 7.841 1.428 -7.141 1.00 0.00 C ATOM 315 CD PRO A 23 8.183 1.182 -8.618 1.00 0.00 C ATOM 0 HA PRO A 23 6.357 3.964 -8.789 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.723 3.096 -6.260 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.775 2.126 -7.370 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.717 1.743 -6.574 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.459 0.526 -6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.231 0.913 -8.747 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.591 0.368 -9.037 1.00 0.00 H new ATOM 323 N SER A 24 9.184 4.263 -7.245 1.00 0.00 N ATOM 324 CA SER A 24 10.170 5.292 -6.768 1.00 0.00 C ATOM 325 C SER A 24 11.152 4.637 -5.807 1.00 0.00 C ATOM 326 O SER A 24 10.875 3.583 -5.267 1.00 0.00 O ATOM 327 CB SER A 24 9.432 6.413 -6.013 1.00 0.00 C ATOM 328 OG SER A 24 8.738 5.644 -5.039 1.00 0.00 O ATOM 0 H SER A 24 9.415 3.307 -6.976 1.00 0.00 H new ATOM 0 HA SER A 24 10.695 5.706 -7.629 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.116 7.133 -5.564 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.757 6.975 -6.658 1.00 0.00 H new ATOM 0 HG SER A 24 7.808 5.520 -5.322 1.00 0.00 H new ATOM 334 N GLY A 25 12.274 5.271 -5.597 1.00 0.00 N ATOM 335 CA GLY A 25 13.269 4.681 -4.656 1.00 0.00 C ATOM 336 C GLY A 25 12.707 4.786 -3.229 1.00 0.00 C ATOM 337 O GLY A 25 13.302 4.272 -2.306 1.00 0.00 O ATOM 0 H GLY A 25 12.542 6.156 -6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.462 3.639 -4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.220 5.209 -4.729 1.00 0.00 H new ATOM 341 N GLN A 26 11.582 5.447 -3.089 1.00 0.00 N ATOM 342 CA GLN A 26 10.947 5.610 -1.736 1.00 0.00 C ATOM 343 C GLN A 26 9.886 4.511 -1.570 1.00 0.00 C ATOM 344 O GLN A 26 9.553 4.151 -0.461 1.00 0.00 O ATOM 345 CB GLN A 26 10.245 6.981 -1.639 1.00 0.00 C ATOM 346 CG GLN A 26 11.226 8.164 -1.749 1.00 0.00 C ATOM 347 CD GLN A 26 12.187 8.157 -0.554 1.00 0.00 C ATOM 348 OE1 GLN A 26 11.806 7.903 0.568 1.00 0.00 O ATOM 349 NE2 GLN A 26 13.443 8.439 -0.740 1.00 0.00 N ATOM 0 H GLN A 26 11.072 5.884 -3.856 1.00 0.00 H new ATOM 0 HA GLN A 26 11.713 5.541 -0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.499 7.059 -2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.712 7.044 -0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.789 8.096 -2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.675 9.104 -1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.784 8.656 -1.677 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.087 8.444 0.051 1.00 0.00 H new ATOM 358 N CYS A 27 9.358 3.991 -2.648 1.00 0.00 N ATOM 359 CA CYS A 27 8.324 2.912 -2.513 1.00 0.00 C ATOM 360 C CYS A 27 8.857 1.761 -1.659 1.00 0.00 C ATOM 361 O CYS A 27 8.152 1.224 -0.829 1.00 0.00 O ATOM 362 CB CYS A 27 7.942 2.404 -3.907 1.00 0.00 C ATOM 363 SG CYS A 27 6.798 0.998 -3.951 1.00 0.00 S ATOM 0 H CYS A 27 9.591 4.259 -3.604 1.00 0.00 H new ATOM 0 HA CYS A 27 7.442 3.321 -2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.496 3.228 -4.463 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.854 2.122 -4.432 1.00 0.00 H new ATOM 368 N CYS A 28 10.103 1.418 -1.848 1.00 0.00 N ATOM 369 CA CYS A 28 10.657 0.295 -1.034 1.00 0.00 C ATOM 370 C CYS A 28 11.094 0.779 0.328 1.00 0.00 C ATOM 371 O CYS A 28 10.512 0.366 1.301 1.00 0.00 O ATOM 372 CB CYS A 28 11.818 -0.326 -1.801 1.00 0.00 C ATOM 373 SG CYS A 28 11.205 -1.356 -3.148 1.00 0.00 S ATOM 0 H CYS A 28 10.746 1.851 -2.510 1.00 0.00 H new ATOM 0 HA CYS A 28 9.886 -0.458 -0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.460 0.460 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.429 -0.925 -1.126 1.00 0.00 H new ATOM 378 N ASP A 29 12.066 1.643 0.422 1.00 0.00 N ATOM 379 CA ASP A 29 12.503 2.128 1.771 1.00 0.00 C ATOM 380 C ASP A 29 11.288 2.702 2.506 1.00 0.00 C ATOM 381 O ASP A 29 11.038 2.403 3.654 1.00 0.00 O ATOM 382 CB ASP A 29 13.574 3.240 1.636 1.00 0.00 C ATOM 383 CG ASP A 29 14.722 2.908 2.613 1.00 0.00 C ATOM 384 OD1 ASP A 29 14.451 2.917 3.807 1.00 0.00 O ATOM 385 OD2 ASP A 29 15.805 2.660 2.119 1.00 0.00 O ATOM 0 H ASP A 29 12.577 2.035 -0.369 1.00 0.00 H new ATOM 0 HA ASP A 29 12.932 1.292 2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.946 3.291 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.145 4.215 1.868 1.00 0.00 H new ATOM 390 N GLY A 30 10.512 3.485 1.815 1.00 0.00 N ATOM 391 CA GLY A 30 9.303 4.113 2.429 1.00 0.00 C ATOM 392 C GLY A 30 8.311 3.084 2.964 1.00 0.00 C ATOM 393 O GLY A 30 7.984 3.049 4.141 1.00 0.00 O ATOM 0 H GLY A 30 10.663 3.723 0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.613 4.769 3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.807 4.738 1.687 1.00 0.00 H new ATOM 397 N VAL A 31 7.849 2.215 2.111 1.00 0.00 N ATOM 398 CA VAL A 31 6.865 1.194 2.582 1.00 0.00 C ATOM 399 C VAL A 31 7.518 0.155 3.514 1.00 0.00 C ATOM 400 O VAL A 31 6.883 -0.294 4.448 1.00 0.00 O ATOM 401 CB VAL A 31 6.242 0.583 1.301 1.00 0.00 C ATOM 402 CG1 VAL A 31 5.174 -0.417 1.654 1.00 0.00 C ATOM 403 CG2 VAL A 31 5.560 1.677 0.510 1.00 0.00 C ATOM 0 H VAL A 31 8.102 2.164 1.124 1.00 0.00 H new ATOM 0 HA VAL A 31 6.083 1.637 3.199 1.00 0.00 H new ATOM 0 HB VAL A 31 7.041 0.106 0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.750 -0.834 0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.609 -1.219 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.389 0.076 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.120 1.253 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.777 2.131 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.291 2.437 0.234 1.00 0.00 H new ATOM 413 N LYS A 32 8.748 -0.202 3.269 1.00 0.00 N ATOM 414 CA LYS A 32 9.495 -1.189 4.099 1.00 0.00 C ATOM 415 C LYS A 32 9.448 -0.666 5.531 1.00 0.00 C ATOM 416 O LYS A 32 9.153 -1.402 6.456 1.00 0.00 O ATOM 417 CB LYS A 32 10.938 -1.244 3.513 1.00 0.00 C ATOM 418 CG LYS A 32 12.036 -1.859 4.407 1.00 0.00 C ATOM 419 CD LYS A 32 12.625 -0.774 5.375 1.00 0.00 C ATOM 420 CE LYS A 32 13.901 -1.298 6.076 1.00 0.00 C ATOM 421 NZ LYS A 32 14.381 -0.300 7.090 1.00 0.00 N ATOM 0 H LYS A 32 9.290 0.169 2.489 1.00 0.00 H new ATOM 0 HA LYS A 32 9.085 -2.199 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.904 -1.809 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.239 -0.228 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.622 -2.685 4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.831 -2.271 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.858 0.132 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.879 -0.503 6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.692 -2.251 6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.681 -1.482 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.177 0.240 6.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.606 0.351 7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.692 -0.799 7.948 1.00 0.00 H new ATOM 435 N ASN A 33 9.714 0.610 5.664 1.00 0.00 N ATOM 436 CA ASN A 33 9.701 1.224 7.020 1.00 0.00 C ATOM 437 C ASN A 33 8.295 1.192 7.621 1.00 0.00 C ATOM 438 O ASN A 33 8.130 0.817 8.766 1.00 0.00 O ATOM 439 CB ASN A 33 10.267 2.637 6.852 1.00 0.00 C ATOM 440 CG ASN A 33 11.778 2.528 6.529 1.00 0.00 C ATOM 441 OD1 ASN A 33 12.522 1.750 7.100 1.00 0.00 O ATOM 442 ND2 ASN A 33 12.291 3.280 5.611 1.00 0.00 N ATOM 0 H ASN A 33 9.937 1.245 4.898 1.00 0.00 H new ATOM 0 HA ASN A 33 10.314 0.670 7.731 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.746 3.161 6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.116 3.216 7.763 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.284 3.208 5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.703 3.945 5.109 1.00 0.00 H new ATOM 449 N LEU A 34 7.304 1.560 6.857 1.00 0.00 N ATOM 450 CA LEU A 34 5.894 1.541 7.389 1.00 0.00 C ATOM 451 C LEU A 34 5.542 0.107 7.820 1.00 0.00 C ATOM 452 O LEU A 34 5.152 -0.167 8.938 1.00 0.00 O ATOM 453 CB LEU A 34 4.904 1.976 6.288 1.00 0.00 C ATOM 454 CG LEU A 34 3.411 2.105 6.796 1.00 0.00 C ATOM 455 CD1 LEU A 34 2.618 2.781 5.708 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.717 0.791 7.083 1.00 0.00 C ATOM 0 H LEU A 34 7.399 1.873 5.891 1.00 0.00 H new ATOM 0 HA LEU A 34 5.824 2.226 8.234 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.225 2.935 5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.941 1.254 5.472 1.00 0.00 H new ATOM 0 HG LEU A 34 3.457 2.656 7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.581 2.886 6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.039 3.767 5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.660 2.180 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.700 0.984 7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.686 0.190 6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.264 0.252 7.857 1.00 0.00 H new ATOM 468 N HIS A 35 5.709 -0.810 6.913 1.00 0.00 N ATOM 469 CA HIS A 35 5.396 -2.249 7.199 1.00 0.00 C ATOM 470 C HIS A 35 6.036 -2.687 8.525 1.00 0.00 C ATOM 471 O HIS A 35 5.370 -3.162 9.429 1.00 0.00 O ATOM 472 CB HIS A 35 5.934 -3.083 6.026 1.00 0.00 C ATOM 473 CG HIS A 35 5.320 -4.495 6.027 1.00 0.00 C ATOM 474 ND1 HIS A 35 5.750 -5.487 5.318 1.00 0.00 N ATOM 475 CD2 HIS A 35 4.240 -5.026 6.718 1.00 0.00 C ATOM 476 CE1 HIS A 35 5.023 -6.536 5.533 1.00 0.00 C ATOM 477 NE2 HIS A 35 4.071 -6.294 6.397 1.00 0.00 N ATOM 0 H HIS A 35 6.054 -0.629 5.970 1.00 0.00 H new ATOM 0 HA HIS A 35 4.320 -2.394 7.299 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.705 -2.583 5.085 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.020 -3.154 6.093 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.626 -4.479 7.418 1.00 0.00 H new ATOM 0 HE1 HIS A 35 5.183 -7.493 5.058 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.360 -6.939 6.743 1.00 0.00 H new ATOM 485 N ASN A 36 7.332 -2.495 8.588 1.00 0.00 N ATOM 486 CA ASN A 36 8.125 -2.856 9.802 1.00 0.00 C ATOM 487 C ASN A 36 7.523 -2.154 11.029 1.00 0.00 C ATOM 488 O ASN A 36 7.473 -2.741 12.091 1.00 0.00 O ATOM 489 CB ASN A 36 9.578 -2.386 9.591 1.00 0.00 C ATOM 490 CG ASN A 36 10.508 -2.917 10.691 1.00 0.00 C ATOM 491 OD1 ASN A 36 11.710 -2.774 10.608 1.00 0.00 O ATOM 492 ND2 ASN A 36 10.038 -3.533 11.735 1.00 0.00 N ATOM 0 H ASN A 36 7.884 -2.094 7.830 1.00 0.00 H new ATOM 0 HA ASN A 36 8.103 -3.934 9.964 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.933 -2.725 8.618 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.611 -1.297 9.580 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.675 -3.879 12.453 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.032 -3.670 11.836 1.00 0.00 H new ATOM 499 N GLN A 37 7.098 -0.928 10.844 1.00 0.00 N ATOM 500 CA GLN A 37 6.492 -0.147 11.974 1.00 0.00 C ATOM 501 C GLN A 37 5.180 -0.770 12.441 1.00 0.00 C ATOM 502 O GLN A 37 4.890 -0.813 13.625 1.00 0.00 O ATOM 503 CB GLN A 37 6.129 1.301 11.582 1.00 0.00 C ATOM 504 CG GLN A 37 7.307 2.267 11.644 1.00 0.00 C ATOM 505 CD GLN A 37 6.703 3.667 11.500 1.00 0.00 C ATOM 506 OE1 GLN A 37 6.596 4.211 10.421 1.00 0.00 O ATOM 507 NE2 GLN A 37 6.273 4.302 12.551 1.00 0.00 N ATOM 0 H GLN A 37 7.144 -0.430 9.955 1.00 0.00 H new ATOM 0 HA GLN A 37 7.258 -0.158 12.750 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.722 1.303 10.571 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.341 1.660 12.244 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.845 2.168 12.587 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.022 2.065 10.846 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.348 3.872 13.473 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.860 5.230 12.453 1.00 0.00 H new ATOM 516 N ALA A 38 4.413 -1.250 11.505 1.00 0.00 N ATOM 517 CA ALA A 38 3.100 -1.874 11.871 1.00 0.00 C ATOM 518 C ALA A 38 3.249 -3.179 12.663 1.00 0.00 C ATOM 519 O ALA A 38 3.358 -4.262 12.113 1.00 0.00 O ATOM 520 CB ALA A 38 2.344 -2.110 10.584 1.00 0.00 C ATOM 0 H ALA A 38 4.630 -1.241 10.508 1.00 0.00 H new ATOM 0 HA ALA A 38 2.559 -1.198 12.534 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.379 -2.565 10.807 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.188 -1.159 10.074 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.919 -2.776 9.941 1.00 0.00 H new ATOM 526 N ARG A 39 3.238 -3.047 13.962 1.00 0.00 N ATOM 527 CA ARG A 39 3.380 -4.231 14.866 1.00 0.00 C ATOM 528 C ARG A 39 2.001 -4.745 15.311 1.00 0.00 C ATOM 529 O ARG A 39 1.898 -5.875 15.741 1.00 0.00 O ATOM 530 CB ARG A 39 4.254 -3.733 16.050 1.00 0.00 C ATOM 531 CG ARG A 39 5.108 -4.821 16.745 1.00 0.00 C ATOM 532 CD ARG A 39 4.237 -5.882 17.441 1.00 0.00 C ATOM 533 NE ARG A 39 5.090 -6.621 18.434 1.00 0.00 N ATOM 534 CZ ARG A 39 5.276 -7.900 18.305 1.00 0.00 C ATOM 535 NH1 ARG A 39 4.240 -8.669 18.460 1.00 0.00 N ATOM 536 NH2 ARG A 39 6.467 -8.333 18.032 1.00 0.00 N ATOM 0 H ARG A 39 3.135 -2.155 14.445 1.00 0.00 H new ATOM 0 HA ARG A 39 3.851 -5.083 14.376 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.919 -2.950 15.685 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.602 -3.276 16.794 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.748 -5.305 16.008 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.764 -4.353 17.479 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.393 -5.409 17.944 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.824 -6.574 16.707 1.00 0.00 H new ATOM 0 HE ARG A 39 5.523 -6.118 19.209 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.330 -8.261 18.674 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.337 -9.680 18.368 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.237 -7.673 17.923 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.634 -9.334 17.927 1.00 0.00 H new ATOM 550 N SER A 40 0.981 -3.930 15.193 1.00 0.00 N ATOM 551 CA SER A 40 -0.387 -4.384 15.621 1.00 0.00 C ATOM 552 C SER A 40 -1.452 -4.131 14.547 1.00 0.00 C ATOM 553 O SER A 40 -1.240 -3.353 13.636 1.00 0.00 O ATOM 554 CB SER A 40 -0.754 -3.641 16.908 1.00 0.00 C ATOM 555 OG SER A 40 0.207 -4.147 17.824 1.00 0.00 O ATOM 0 H SER A 40 1.031 -2.980 14.824 1.00 0.00 H new ATOM 0 HA SER A 40 -0.359 -5.461 15.784 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.677 -2.560 16.791 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.774 -3.856 17.227 1.00 0.00 H new ATOM 0 HG SER A 40 0.071 -3.734 18.702 1.00 0.00 H new ATOM 561 N GLN A 41 -2.596 -4.766 14.670 1.00 0.00 N ATOM 562 CA GLN A 41 -3.661 -4.557 13.659 1.00 0.00 C ATOM 563 C GLN A 41 -3.962 -3.061 13.493 1.00 0.00 C ATOM 564 O GLN A 41 -4.241 -2.603 12.408 1.00 0.00 O ATOM 565 CB GLN A 41 -4.883 -5.400 14.123 1.00 0.00 C ATOM 566 CG GLN A 41 -4.801 -6.796 13.399 1.00 0.00 C ATOM 567 CD GLN A 41 -6.053 -7.668 13.580 1.00 0.00 C ATOM 568 OE1 GLN A 41 -6.195 -8.702 12.958 1.00 0.00 O ATOM 569 NE2 GLN A 41 -6.995 -7.324 14.407 1.00 0.00 N ATOM 0 H GLN A 41 -2.829 -5.413 15.423 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.360 -4.889 12.665 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.871 -5.529 15.205 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.815 -4.893 13.873 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.636 -6.632 12.334 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.935 -7.339 13.776 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.911 -6.462 14.946 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.819 -7.916 14.516 1.00 0.00 H new ATOM 578 N SER A 42 -3.887 -2.314 14.551 1.00 0.00 N ATOM 579 CA SER A 42 -4.156 -0.850 14.485 1.00 0.00 C ATOM 580 C SER A 42 -3.324 -0.197 13.392 1.00 0.00 C ATOM 581 O SER A 42 -3.823 0.659 12.706 1.00 0.00 O ATOM 582 CB SER A 42 -3.789 -0.178 15.814 1.00 0.00 C ATOM 583 OG SER A 42 -3.580 -1.258 16.716 1.00 0.00 O ATOM 0 H SER A 42 -3.646 -2.660 15.480 1.00 0.00 H new ATOM 0 HA SER A 42 -5.218 -0.724 14.274 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.893 0.434 15.714 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.587 0.479 16.160 1.00 0.00 H new ATOM 0 HG SER A 42 -3.337 -0.906 17.598 1.00 0.00 H new ATOM 589 N ASP A 43 -2.089 -0.606 13.226 1.00 0.00 N ATOM 590 CA ASP A 43 -1.277 0.051 12.166 1.00 0.00 C ATOM 591 C ASP A 43 -1.506 -0.607 10.801 1.00 0.00 C ATOM 592 O ASP A 43 -1.284 -0.012 9.767 1.00 0.00 O ATOM 593 CB ASP A 43 0.210 -0.012 12.516 1.00 0.00 C ATOM 594 CG ASP A 43 0.930 1.083 11.669 1.00 0.00 C ATOM 595 OD1 ASP A 43 0.298 1.934 11.042 1.00 0.00 O ATOM 596 OD2 ASP A 43 2.139 1.003 11.721 1.00 0.00 O ATOM 0 H ASP A 43 -1.625 -1.341 13.760 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.594 1.092 12.108 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.362 0.163 13.581 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.616 -0.999 12.294 1.00 0.00 H new ATOM 601 N ARG A 44 -1.981 -1.813 10.820 1.00 0.00 N ATOM 602 CA ARG A 44 -2.248 -2.564 9.553 1.00 0.00 C ATOM 603 C ARG A 44 -3.596 -2.089 8.961 1.00 0.00 C ATOM 604 O ARG A 44 -3.717 -1.916 7.768 1.00 0.00 O ATOM 605 CB ARG A 44 -2.245 -4.096 9.942 1.00 0.00 C ATOM 606 CG ARG A 44 -0.873 -4.411 10.655 1.00 0.00 C ATOM 607 CD ARG A 44 -0.800 -5.754 11.464 1.00 0.00 C ATOM 608 NE ARG A 44 -0.534 -6.930 10.567 1.00 0.00 N ATOM 609 CZ ARG A 44 0.645 -7.480 10.496 1.00 0.00 C ATOM 610 NH1 ARG A 44 1.709 -6.736 10.666 1.00 0.00 N ATOM 611 NH2 ARG A 44 0.667 -8.764 10.253 1.00 0.00 N ATOM 0 H ARG A 44 -2.203 -2.327 11.673 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.497 -2.390 8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.080 -4.323 10.604 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.365 -4.716 9.053 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.089 -4.425 9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.644 -3.590 11.334 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.013 -5.684 12.215 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.738 -5.908 11.998 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.294 -7.306 10.001 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.609 -5.738 10.852 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.638 -7.154 10.613 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.207 -9.275 10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.558 -9.255 10.185 1.00 0.00 H new ATOM 625 N GLN A 45 -4.574 -1.889 9.800 1.00 0.00 N ATOM 626 CA GLN A 45 -5.913 -1.433 9.338 1.00 0.00 C ATOM 627 C GLN A 45 -5.836 0.046 8.952 1.00 0.00 C ATOM 628 O GLN A 45 -6.438 0.466 7.985 1.00 0.00 O ATOM 629 CB GLN A 45 -6.892 -1.706 10.493 1.00 0.00 C ATOM 630 CG GLN A 45 -7.895 -2.790 10.029 1.00 0.00 C ATOM 631 CD GLN A 45 -8.633 -3.338 11.241 1.00 0.00 C ATOM 632 OE1 GLN A 45 -9.188 -2.642 12.069 1.00 0.00 O ATOM 633 NE2 GLN A 45 -8.657 -4.623 11.377 1.00 0.00 N ATOM 0 H GLN A 45 -4.498 -2.026 10.808 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.258 -1.963 8.450 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.352 -2.042 11.378 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.419 -0.793 10.769 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.604 -2.366 9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.368 -3.594 9.514 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.195 -5.217 10.689 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.138 -5.043 12.173 1.00 0.00 H new ATOM 642 N SER A 46 -5.085 0.828 9.682 1.00 0.00 N ATOM 643 CA SER A 46 -4.995 2.280 9.318 1.00 0.00 C ATOM 644 C SER A 46 -4.358 2.453 7.942 1.00 0.00 C ATOM 645 O SER A 46 -4.964 2.978 7.024 1.00 0.00 O ATOM 646 CB SER A 46 -4.169 2.991 10.359 1.00 0.00 C ATOM 647 OG SER A 46 -4.965 2.748 11.503 1.00 0.00 O ATOM 0 H SER A 46 -4.541 0.538 10.495 1.00 0.00 H new ATOM 0 HA SER A 46 -5.998 2.705 9.283 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.166 2.575 10.452 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.055 4.054 10.147 1.00 0.00 H new ATOM 0 HG SER A 46 -4.713 1.888 11.900 1.00 0.00 H new ATOM 653 N ALA A 47 -3.148 1.977 7.799 1.00 0.00 N ATOM 654 CA ALA A 47 -2.469 2.119 6.479 1.00 0.00 C ATOM 655 C ALA A 47 -3.305 1.530 5.341 1.00 0.00 C ATOM 656 O ALA A 47 -3.182 1.950 4.204 1.00 0.00 O ATOM 657 CB ALA A 47 -1.124 1.443 6.593 1.00 0.00 C ATOM 0 H ALA A 47 -2.610 1.505 8.525 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.343 3.173 6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.594 1.525 5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.540 1.924 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.265 0.391 6.840 1.00 0.00 H new ATOM 663 N CYS A 48 -4.131 0.568 5.660 1.00 0.00 N ATOM 664 CA CYS A 48 -4.998 -0.060 4.623 1.00 0.00 C ATOM 665 C CYS A 48 -5.979 1.013 4.119 1.00 0.00 C ATOM 666 O CYS A 48 -6.128 1.215 2.933 1.00 0.00 O ATOM 667 CB CYS A 48 -5.769 -1.220 5.255 1.00 0.00 C ATOM 668 SG CYS A 48 -6.785 -2.247 4.169 1.00 0.00 S ATOM 0 H CYS A 48 -4.242 0.189 6.601 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.404 -0.443 3.793 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.049 -1.869 5.753 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.416 -0.809 6.030 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.362 -3.179 4.868 1.00 0.00 H new ATOM 673 N ASN A 49 -6.620 1.688 5.040 1.00 0.00 N ATOM 674 CA ASN A 49 -7.601 2.763 4.657 1.00 0.00 C ATOM 675 C ASN A 49 -6.974 3.767 3.694 1.00 0.00 C ATOM 676 O ASN A 49 -7.625 4.251 2.796 1.00 0.00 O ATOM 677 CB ASN A 49 -8.073 3.528 5.902 1.00 0.00 C ATOM 678 CG ASN A 49 -8.873 2.628 6.801 1.00 0.00 C ATOM 679 OD1 ASN A 49 -9.848 2.024 6.400 1.00 0.00 O ATOM 680 ND2 ASN A 49 -8.513 2.510 8.032 1.00 0.00 N ATOM 0 H ASN A 49 -6.510 1.544 6.044 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.444 2.270 4.173 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.212 3.920 6.443 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.678 4.384 5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.045 1.912 8.664 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.695 3.014 8.375 1.00 0.00 H new ATOM 687 N CYS A 50 -5.725 4.067 3.915 1.00 0.00 N ATOM 688 CA CYS A 50 -5.015 5.038 3.022 1.00 0.00 C ATOM 689 C CYS A 50 -5.072 4.557 1.562 1.00 0.00 C ATOM 690 O CYS A 50 -5.701 5.154 0.707 1.00 0.00 O ATOM 691 CB CYS A 50 -3.546 5.158 3.475 1.00 0.00 C ATOM 692 SG CYS A 50 -3.144 6.000 5.023 1.00 0.00 S ATOM 0 H CYS A 50 -5.161 3.684 4.674 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.502 6.011 3.087 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.144 4.147 3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.002 5.666 2.679 1.00 0.00 H new ATOM 697 N LEU A 51 -4.431 3.447 1.312 1.00 0.00 N ATOM 698 CA LEU A 51 -4.420 2.903 -0.077 1.00 0.00 C ATOM 699 C LEU A 51 -5.816 2.441 -0.533 1.00 0.00 C ATOM 700 O LEU A 51 -6.186 2.637 -1.675 1.00 0.00 O ATOM 701 CB LEU A 51 -3.319 1.750 -0.111 1.00 0.00 C ATOM 702 CG LEU A 51 -3.324 0.732 1.100 1.00 0.00 C ATOM 703 CD1 LEU A 51 -4.378 -0.335 0.954 1.00 0.00 C ATOM 704 CD2 LEU A 51 -1.977 0.053 1.202 1.00 0.00 C ATOM 0 H LEU A 51 -3.919 2.898 2.002 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.157 3.677 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.447 1.183 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.336 2.218 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.544 1.312 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.337 -1.006 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.362 0.130 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.198 -0.902 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.985 -0.647 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.771 -0.487 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.203 0.803 1.365 1.00 0.00 H new ATOM 716 N LYS A 52 -6.600 1.873 0.336 1.00 0.00 N ATOM 717 CA LYS A 52 -7.956 1.401 -0.064 1.00 0.00 C ATOM 718 C LYS A 52 -8.870 2.603 -0.330 1.00 0.00 C ATOM 719 O LYS A 52 -9.572 2.625 -1.326 1.00 0.00 O ATOM 720 CB LYS A 52 -8.486 0.496 1.079 1.00 0.00 C ATOM 721 CG LYS A 52 -9.816 -0.140 0.630 1.00 0.00 C ATOM 722 CD LYS A 52 -10.399 -1.061 1.720 1.00 0.00 C ATOM 723 CE LYS A 52 -11.791 -1.522 1.215 1.00 0.00 C ATOM 724 NZ LYS A 52 -12.498 -2.406 2.197 1.00 0.00 N ATOM 0 H LYS A 52 -6.360 1.713 1.314 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.925 0.826 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.757 -0.279 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.635 1.081 1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.534 0.645 0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.657 -0.712 -0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.747 -1.917 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.487 -0.531 2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.407 -0.646 1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.673 -2.055 0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.422 -2.685 1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.926 -3.256 2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.638 -1.891 3.090 1.00 0.00 H new ATOM 738 N GLY A 53 -8.838 3.573 0.540 1.00 0.00 N ATOM 739 CA GLY A 53 -9.690 4.794 0.375 1.00 0.00 C ATOM 740 C GLY A 53 -9.391 5.428 -0.986 1.00 0.00 C ATOM 741 O GLY A 53 -10.287 5.893 -1.666 1.00 0.00 O ATOM 0 H GLY A 53 -8.250 3.576 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.745 4.529 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.487 5.506 1.175 1.00 0.00 H new ATOM 745 N ILE A 54 -8.137 5.415 -1.349 1.00 0.00 N ATOM 746 CA ILE A 54 -7.713 6.002 -2.659 1.00 0.00 C ATOM 747 C ILE A 54 -8.220 5.177 -3.843 1.00 0.00 C ATOM 748 O ILE A 54 -8.988 5.662 -4.647 1.00 0.00 O ATOM 749 CB ILE A 54 -6.161 6.068 -2.681 1.00 0.00 C ATOM 750 CG1 ILE A 54 -5.642 7.135 -1.672 1.00 0.00 C ATOM 751 CG2 ILE A 54 -5.689 6.366 -4.086 1.00 0.00 C ATOM 752 CD1 ILE A 54 -4.115 6.938 -1.423 1.00 0.00 C ATOM 0 H ILE A 54 -7.380 5.020 -0.791 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.144 6.999 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.755 5.104 -2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.829 8.136 -2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.186 7.052 -0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.600 6.412 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.028 5.578 -4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.098 7.322 -4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.762 7.689 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.938 5.943 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.576 7.044 -2.365 1.00 0.00 H new ATOM 764 N ALA A 55 -7.782 3.951 -3.934 1.00 0.00 N ATOM 765 CA ALA A 55 -8.217 3.074 -5.064 1.00 0.00 C ATOM 766 C ALA A 55 -9.734 3.171 -5.291 1.00 0.00 C ATOM 767 O ALA A 55 -10.202 3.189 -6.417 1.00 0.00 O ATOM 768 CB ALA A 55 -7.815 1.665 -4.725 1.00 0.00 C ATOM 0 H ALA A 55 -7.139 3.515 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.740 3.393 -5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.118 0.996 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.733 1.615 -4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.302 1.361 -3.798 1.00 0.00 H new ATOM 774 N ARG A 56 -10.462 3.258 -4.209 1.00 0.00 N ATOM 775 CA ARG A 56 -11.951 3.356 -4.295 1.00 0.00 C ATOM 776 C ARG A 56 -12.425 4.520 -5.185 1.00 0.00 C ATOM 777 O ARG A 56 -13.502 4.456 -5.744 1.00 0.00 O ATOM 778 CB ARG A 56 -12.506 3.501 -2.833 1.00 0.00 C ATOM 779 CG ARG A 56 -14.044 3.227 -2.825 1.00 0.00 C ATOM 780 CD ARG A 56 -14.882 4.499 -3.143 1.00 0.00 C ATOM 781 NE ARG A 56 -15.153 5.217 -1.858 1.00 0.00 N ATOM 782 CZ ARG A 56 -16.392 5.455 -1.535 1.00 0.00 C ATOM 783 NH1 ARG A 56 -17.099 4.421 -1.202 1.00 0.00 N ATOM 784 NH2 ARG A 56 -16.850 6.671 -1.560 1.00 0.00 N ATOM 0 H ARG A 56 -10.086 3.265 -3.261 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.337 2.453 -4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.998 2.801 -2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -12.303 4.503 -2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.275 2.453 -3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.335 2.840 -1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.342 5.147 -3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.818 4.225 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.388 5.512 -1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.677 3.492 -1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.077 4.536 -0.938 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.239 7.441 -1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.821 6.856 -1.307 1.00 0.00 H new ATOM 798 N GLY A 57 -11.627 5.545 -5.310 1.00 0.00 N ATOM 799 CA GLY A 57 -12.013 6.719 -6.151 1.00 0.00 C ATOM 800 C GLY A 57 -11.383 6.637 -7.540 1.00 0.00 C ATOM 801 O GLY A 57 -11.870 7.255 -8.464 1.00 0.00 O ATOM 0 H GLY A 57 -10.714 5.622 -4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.098 6.762 -6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -11.698 7.640 -5.660 1.00 0.00 H new ATOM 805 N ILE A 58 -10.323 5.886 -7.670 1.00 0.00 N ATOM 806 CA ILE A 58 -9.656 5.762 -9.007 1.00 0.00 C ATOM 807 C ILE A 58 -10.517 4.896 -9.936 1.00 0.00 C ATOM 808 O ILE A 58 -10.627 5.193 -11.109 1.00 0.00 O ATOM 809 CB ILE A 58 -8.239 5.132 -8.789 1.00 0.00 C ATOM 810 CG1 ILE A 58 -7.453 6.080 -7.813 1.00 0.00 C ATOM 811 CG2 ILE A 58 -7.499 5.013 -10.105 1.00 0.00 C ATOM 812 CD1 ILE A 58 -6.005 5.592 -7.584 1.00 0.00 C ATOM 0 H ILE A 58 -9.889 5.354 -6.916 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.544 6.739 -9.477 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.330 4.130 -8.371 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.436 7.090 -8.222 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.975 6.132 -6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.517 4.573 -9.932 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.066 4.378 -10.785 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.381 6.002 -10.547 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.495 6.274 -6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.022 4.592 -7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.475 5.565 -8.536 1.00 0.00 H new ATOM 824 N HIS A 59 -11.096 3.856 -9.400 1.00 0.00 N ATOM 825 CA HIS A 59 -11.971 2.915 -10.177 1.00 0.00 C ATOM 826 C HIS A 59 -11.162 2.088 -11.188 1.00 0.00 C ATOM 827 O HIS A 59 -11.217 0.875 -11.153 1.00 0.00 O ATOM 828 CB HIS A 59 -13.074 3.666 -10.964 1.00 0.00 C ATOM 829 CG HIS A 59 -14.117 2.618 -11.384 1.00 0.00 C ATOM 830 ND1 HIS A 59 -13.864 1.380 -11.677 1.00 0.00 N ATOM 831 CD2 HIS A 59 -15.487 2.731 -11.545 1.00 0.00 C ATOM 832 CE1 HIS A 59 -14.965 0.776 -11.990 1.00 0.00 C ATOM 833 NE2 HIS A 59 -15.998 1.577 -11.922 1.00 0.00 N ATOM 0 H HIS A 59 -10.997 3.607 -8.416 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.426 2.259 -9.435 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.531 4.439 -10.346 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.654 4.164 -11.838 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -12.940 0.949 -11.663 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -16.055 3.635 -11.385 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -15.024 -0.264 -12.273 1.00 0.00 H new ATOM 841 N ASN A 60 -10.452 2.718 -12.080 1.00 0.00 N ATOM 842 CA ASN A 60 -9.651 1.953 -13.080 1.00 0.00 C ATOM 843 C ASN A 60 -8.205 1.844 -12.562 1.00 0.00 C ATOM 844 O ASN A 60 -7.355 2.630 -12.935 1.00 0.00 O ATOM 845 CB ASN A 60 -9.703 2.707 -14.404 1.00 0.00 C ATOM 846 CG ASN A 60 -9.024 1.835 -15.443 1.00 0.00 C ATOM 847 OD1 ASN A 60 -9.584 0.882 -15.940 1.00 0.00 O ATOM 848 ND2 ASN A 60 -7.812 2.109 -15.801 1.00 0.00 N ATOM 0 H ASN A 60 -10.390 3.733 -12.162 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.046 0.948 -13.228 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.735 2.913 -14.689 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.198 3.669 -14.319 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.340 1.526 -16.493 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.328 2.908 -15.392 1.00 0.00 H new ATOM 855 N LEU A 61 -7.973 0.875 -11.719 1.00 0.00 N ATOM 856 CA LEU A 61 -6.605 0.680 -11.151 1.00 0.00 C ATOM 857 C LEU A 61 -5.891 -0.490 -11.845 1.00 0.00 C ATOM 858 O LEU A 61 -6.525 -1.421 -12.305 1.00 0.00 O ATOM 859 CB LEU A 61 -6.804 0.443 -9.646 1.00 0.00 C ATOM 860 CG LEU A 61 -5.443 0.352 -8.923 1.00 0.00 C ATOM 861 CD1 LEU A 61 -5.560 1.022 -7.578 1.00 0.00 C ATOM 862 CD2 LEU A 61 -5.093 -1.100 -8.700 1.00 0.00 C ATOM 0 H LEU A 61 -8.673 0.207 -11.397 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.964 1.547 -11.314 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.394 1.254 -9.220 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.367 -0.477 -9.489 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.675 0.836 -9.527 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.604 0.964 -7.058 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.835 2.068 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.326 0.520 -6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.132 -1.168 -8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.863 -1.570 -8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.031 -1.611 -9.661 1.00 0.00 H new ATOM 874 N ASN A 62 -4.580 -0.440 -11.901 1.00 0.00 N ATOM 875 CA ASN A 62 -3.842 -1.557 -12.570 1.00 0.00 C ATOM 876 C ASN A 62 -3.321 -2.545 -11.521 1.00 0.00 C ATOM 877 O ASN A 62 -2.274 -2.355 -10.924 1.00 0.00 O ATOM 878 CB ASN A 62 -2.659 -0.983 -13.387 1.00 0.00 C ATOM 879 CG ASN A 62 -2.032 -2.089 -14.239 1.00 0.00 C ATOM 880 OD1 ASN A 62 -2.722 -2.972 -14.706 1.00 0.00 O ATOM 881 ND2 ASN A 62 -0.748 -2.067 -14.462 1.00 0.00 N ATOM 0 H ASN A 62 -4.001 0.309 -11.521 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.521 -2.082 -13.241 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.007 -0.172 -14.027 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.912 -0.561 -12.715 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.317 -2.795 -15.032 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.174 -1.322 -14.066 1.00 0.00 H new ATOM 888 N GLU A 63 -4.085 -3.586 -11.312 1.00 0.00 N ATOM 889 CA GLU A 63 -3.699 -4.632 -10.321 1.00 0.00 C ATOM 890 C GLU A 63 -2.325 -5.202 -10.695 1.00 0.00 C ATOM 891 O GLU A 63 -1.516 -5.439 -9.816 1.00 0.00 O ATOM 892 CB GLU A 63 -4.826 -5.707 -10.310 1.00 0.00 C ATOM 893 CG GLU A 63 -5.107 -6.392 -11.677 1.00 0.00 C ATOM 894 CD GLU A 63 -6.380 -7.244 -11.512 1.00 0.00 C ATOM 895 OE1 GLU A 63 -7.428 -6.618 -11.551 1.00 0.00 O ATOM 896 OE2 GLU A 63 -6.249 -8.449 -11.349 1.00 0.00 O ATOM 0 H GLU A 63 -4.969 -3.757 -11.791 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.602 -4.229 -9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.564 -6.477 -9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.747 -5.240 -9.961 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.243 -5.646 -12.460 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.264 -7.015 -11.975 1.00 0.00 H new ATOM 903 N ASP A 64 -2.103 -5.370 -11.968 1.00 0.00 N ATOM 904 CA ASP A 64 -0.810 -5.911 -12.482 1.00 0.00 C ATOM 905 C ASP A 64 0.402 -5.197 -11.853 1.00 0.00 C ATOM 906 O ASP A 64 1.322 -5.822 -11.362 1.00 0.00 O ATOM 907 CB ASP A 64 -0.899 -5.744 -14.010 1.00 0.00 C ATOM 908 CG ASP A 64 0.473 -5.658 -14.655 1.00 0.00 C ATOM 909 OD1 ASP A 64 1.141 -6.676 -14.688 1.00 0.00 O ATOM 910 OD2 ASP A 64 0.736 -4.540 -15.071 1.00 0.00 O ATOM 0 H ASP A 64 -2.783 -5.149 -12.696 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.656 -6.956 -12.214 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.447 -6.585 -14.435 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.466 -4.843 -14.244 1.00 0.00 H new ATOM 915 N ASN A 65 0.387 -3.890 -11.864 1.00 0.00 N ATOM 916 CA ASN A 65 1.540 -3.145 -11.272 1.00 0.00 C ATOM 917 C ASN A 65 1.445 -3.166 -9.744 1.00 0.00 C ATOM 918 O ASN A 65 2.442 -3.390 -9.079 1.00 0.00 O ATOM 919 CB ASN A 65 1.549 -1.689 -11.788 1.00 0.00 C ATOM 920 CG ASN A 65 2.212 -1.573 -13.177 1.00 0.00 C ATOM 921 OD1 ASN A 65 3.073 -2.341 -13.566 1.00 0.00 O ATOM 922 ND2 ASN A 65 1.842 -0.592 -13.952 1.00 0.00 N ATOM 0 H ASN A 65 -0.360 -3.313 -12.250 1.00 0.00 H new ATOM 0 HA ASN A 65 2.469 -3.629 -11.573 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.526 -1.317 -11.842 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.081 -1.056 -11.078 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.273 -0.477 -14.869 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.122 0.060 -13.641 1.00 0.00 H new ATOM 929 N ALA A 66 0.269 -2.934 -9.207 1.00 0.00 N ATOM 930 CA ALA A 66 0.126 -2.954 -7.709 1.00 0.00 C ATOM 931 C ALA A 66 0.742 -4.232 -7.130 1.00 0.00 C ATOM 932 O ALA A 66 1.395 -4.188 -6.097 1.00 0.00 O ATOM 933 CB ALA A 66 -1.326 -2.929 -7.299 1.00 0.00 C ATOM 0 H ALA A 66 -0.585 -2.735 -9.727 1.00 0.00 H new ATOM 0 HA ALA A 66 0.638 -2.070 -7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.397 -2.944 -6.211 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.796 -2.023 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.835 -3.802 -7.708 1.00 0.00 H new ATOM 939 N ARG A 67 0.514 -5.336 -7.804 1.00 0.00 N ATOM 940 CA ARG A 67 1.088 -6.617 -7.293 1.00 0.00 C ATOM 941 C ARG A 67 2.563 -6.748 -7.714 1.00 0.00 C ATOM 942 O ARG A 67 3.281 -7.550 -7.152 1.00 0.00 O ATOM 943 CB ARG A 67 0.206 -7.817 -7.813 1.00 0.00 C ATOM 944 CG ARG A 67 -1.268 -7.591 -7.282 1.00 0.00 C ATOM 945 CD ARG A 67 -2.181 -8.857 -7.331 1.00 0.00 C ATOM 946 NE ARG A 67 -2.003 -9.685 -6.079 1.00 0.00 N ATOM 947 CZ ARG A 67 -3.022 -9.937 -5.306 1.00 0.00 C ATOM 948 NH1 ARG A 67 -3.885 -10.824 -5.698 1.00 0.00 N ATOM 949 NH2 ARG A 67 -3.135 -9.305 -4.181 1.00 0.00 N ATOM 0 H ARG A 67 -0.031 -5.404 -8.664 1.00 0.00 H new ATOM 0 HA ARG A 67 1.071 -6.630 -6.203 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.219 -7.858 -8.902 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.601 -8.767 -7.454 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.218 -7.235 -6.253 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.734 -6.801 -7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.224 -8.557 -7.431 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.936 -9.456 -8.208 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.081 -10.048 -5.838 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.755 -11.302 -6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.693 -11.043 -5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.431 -8.619 -3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.928 -9.493 -3.568 1.00 0.00 H new ATOM 963 N SER A 68 2.994 -5.966 -8.671 1.00 0.00 N ATOM 964 CA SER A 68 4.425 -6.046 -9.104 1.00 0.00 C ATOM 965 C SER A 68 5.313 -5.133 -8.245 1.00 0.00 C ATOM 966 O SER A 68 6.508 -5.101 -8.450 1.00 0.00 O ATOM 967 CB SER A 68 4.520 -5.638 -10.557 1.00 0.00 C ATOM 968 OG SER A 68 3.868 -6.725 -11.191 1.00 0.00 O ATOM 0 H SER A 68 2.424 -5.281 -9.168 1.00 0.00 H new ATOM 0 HA SER A 68 4.776 -7.070 -8.978 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.021 -4.689 -10.751 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.553 -5.528 -10.887 1.00 0.00 H new ATOM 0 HG SER A 68 2.933 -6.489 -11.366 1.00 0.00 H new ATOM 974 N ILE A 69 4.738 -4.422 -7.307 1.00 0.00 N ATOM 975 CA ILE A 69 5.537 -3.515 -6.413 1.00 0.00 C ATOM 976 C ILE A 69 6.232 -4.369 -5.313 1.00 0.00 C ATOM 977 O ILE A 69 7.449 -4.412 -5.246 1.00 0.00 O ATOM 978 CB ILE A 69 4.524 -2.470 -5.839 1.00 0.00 C ATOM 979 CG1 ILE A 69 4.191 -1.506 -6.995 1.00 0.00 C ATOM 980 CG2 ILE A 69 5.071 -1.760 -4.622 1.00 0.00 C ATOM 981 CD1 ILE A 69 3.045 -0.573 -6.618 1.00 0.00 C ATOM 0 H ILE A 69 3.736 -4.429 -7.117 1.00 0.00 H new ATOM 0 HA ILE A 69 6.335 -2.987 -6.935 1.00 0.00 H new ATOM 0 HB ILE A 69 3.617 -2.958 -5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.074 -0.919 -7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.922 -2.077 -7.883 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.335 -1.044 -4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.286 -2.489 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.987 -1.234 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.831 0.096 -7.452 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.157 -1.162 -6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.327 0.015 -5.744 1.00 0.00 H new ATOM 993 N PRO A 70 5.471 -5.056 -4.487 1.00 0.00 N ATOM 994 CA PRO A 70 6.072 -5.873 -3.401 1.00 0.00 C ATOM 995 C PRO A 70 7.104 -6.947 -3.824 1.00 0.00 C ATOM 996 O PRO A 70 8.104 -7.061 -3.132 1.00 0.00 O ATOM 997 CB PRO A 70 4.829 -6.449 -2.651 1.00 0.00 C ATOM 998 CG PRO A 70 3.686 -6.411 -3.688 1.00 0.00 C ATOM 999 CD PRO A 70 3.974 -5.135 -4.482 1.00 0.00 C ATOM 0 HA PRO A 70 6.714 -5.257 -2.771 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.013 -7.466 -2.304 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.586 -5.851 -1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.694 -7.293 -4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.708 -6.374 -3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.572 -5.192 -5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.527 -4.260 -4.011 1.00 0.00 H new ATOM 1007 N PRO A 71 6.885 -7.700 -4.891 1.00 0.00 N ATOM 1008 CA PRO A 71 7.844 -8.757 -5.316 1.00 0.00 C ATOM 1009 C PRO A 71 9.221 -8.196 -5.687 1.00 0.00 C ATOM 1010 O PRO A 71 10.215 -8.565 -5.094 1.00 0.00 O ATOM 1011 CB PRO A 71 7.143 -9.457 -6.494 1.00 0.00 C ATOM 1012 CG PRO A 71 6.278 -8.329 -7.093 1.00 0.00 C ATOM 1013 CD PRO A 71 5.725 -7.656 -5.828 1.00 0.00 C ATOM 0 HA PRO A 71 8.069 -9.453 -4.507 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.859 -9.846 -7.218 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.536 -10.299 -6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.866 -7.640 -7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.484 -8.717 -7.731 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.402 -6.633 -6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.863 -8.192 -5.429 1.00 0.00 H new ATOM 1021 N LYS A 72 9.238 -7.321 -6.663 1.00 0.00 N ATOM 1022 CA LYS A 72 10.525 -6.702 -7.120 1.00 0.00 C ATOM 1023 C LYS A 72 11.257 -6.054 -5.955 1.00 0.00 C ATOM 1024 O LYS A 72 12.461 -6.155 -5.837 1.00 0.00 O ATOM 1025 CB LYS A 72 10.255 -5.625 -8.174 1.00 0.00 C ATOM 1026 CG LYS A 72 9.266 -4.553 -7.654 1.00 0.00 C ATOM 1027 CD LYS A 72 8.850 -3.599 -8.790 1.00 0.00 C ATOM 1028 CE LYS A 72 9.986 -2.654 -9.200 1.00 0.00 C ATOM 1029 NZ LYS A 72 9.476 -1.790 -10.305 1.00 0.00 N ATOM 0 H LYS A 72 8.409 -7.006 -7.167 1.00 0.00 H new ATOM 0 HA LYS A 72 11.139 -7.497 -7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.194 -5.148 -8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.850 -6.089 -9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.383 -5.037 -7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.729 -3.985 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.536 -4.183 -9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.989 -3.012 -8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.303 -2.046 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.857 -3.221 -9.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.214 -1.112 -10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.224 -2.383 -11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.635 -1.272 -9.980 1.00 0.00 H new ATOM 1043 N CYS A 73 10.493 -5.397 -5.135 1.00 0.00 N ATOM 1044 CA CYS A 73 11.067 -4.710 -3.949 1.00 0.00 C ATOM 1045 C CYS A 73 11.763 -5.704 -3.012 1.00 0.00 C ATOM 1046 O CYS A 73 12.895 -5.507 -2.617 1.00 0.00 O ATOM 1047 CB CYS A 73 9.912 -4.018 -3.267 1.00 0.00 C ATOM 1048 SG CYS A 73 10.338 -2.791 -2.021 1.00 0.00 S ATOM 0 H CYS A 73 9.482 -5.305 -5.236 1.00 0.00 H new ATOM 0 HA CYS A 73 11.834 -3.993 -4.240 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.305 -3.533 -4.031 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.287 -4.778 -2.798 1.00 0.00 H new ATOM 1053 N GLY A 74 11.050 -6.747 -2.669 1.00 0.00 N ATOM 1054 CA GLY A 74 11.614 -7.796 -1.755 1.00 0.00 C ATOM 1055 C GLY A 74 11.093 -7.451 -0.363 1.00 0.00 C ATOM 1056 O GLY A 74 11.792 -7.558 0.623 1.00 0.00 O ATOM 0 H GLY A 74 10.095 -6.921 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.293 -8.793 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.704 -7.791 -1.778 1.00 0.00 H new ATOM 1060 N VAL A 75 9.861 -7.027 -0.347 1.00 0.00 N ATOM 1061 CA VAL A 75 9.185 -6.631 0.919 1.00 0.00 C ATOM 1062 C VAL A 75 7.928 -7.459 1.154 1.00 0.00 C ATOM 1063 O VAL A 75 7.622 -7.805 2.276 1.00 0.00 O ATOM 1064 CB VAL A 75 8.960 -5.109 0.721 1.00 0.00 C ATOM 1065 CG1 VAL A 75 8.095 -4.495 1.785 1.00 0.00 C ATOM 1066 CG2 VAL A 75 10.298 -4.409 0.702 1.00 0.00 C ATOM 0 H VAL A 75 9.280 -6.936 -1.180 1.00 0.00 H new ATOM 0 HA VAL A 75 9.755 -6.821 1.829 1.00 0.00 H new ATOM 0 HB VAL A 75 8.436 -4.984 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.977 -3.429 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.117 -4.975 1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.563 -4.634 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.147 -3.339 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.813 -4.583 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.901 -4.799 -0.118 1.00 0.00 H new ATOM 1076 N ASN A 76 7.231 -7.744 0.093 1.00 0.00 N ATOM 1077 CA ASN A 76 5.981 -8.553 0.186 1.00 0.00 C ATOM 1078 C ASN A 76 4.971 -8.013 1.223 1.00 0.00 C ATOM 1079 O ASN A 76 4.793 -8.568 2.294 1.00 0.00 O ATOM 1080 CB ASN A 76 6.363 -9.968 0.545 1.00 0.00 C ATOM 1081 CG ASN A 76 5.177 -10.807 0.062 1.00 0.00 C ATOM 1082 OD1 ASN A 76 5.170 -11.319 -1.038 1.00 0.00 O ATOM 1083 ND2 ASN A 76 4.147 -10.954 0.839 1.00 0.00 N ATOM 0 H ASN A 76 7.476 -7.447 -0.851 1.00 0.00 H new ATOM 0 HA ASN A 76 5.481 -8.501 -0.781 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.289 -10.268 0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.520 -10.079 1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.343 -11.496 0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.142 -10.528 1.766 1.00 0.00 H new ATOM 1090 N LEU A 77 4.316 -6.938 0.877 1.00 0.00 N ATOM 1091 CA LEU A 77 3.318 -6.345 1.825 1.00 0.00 C ATOM 1092 C LEU A 77 2.091 -7.252 1.932 1.00 0.00 C ATOM 1093 O LEU A 77 1.848 -8.048 1.045 1.00 0.00 O ATOM 1094 CB LEU A 77 2.859 -4.934 1.322 1.00 0.00 C ATOM 1095 CG LEU A 77 3.287 -3.824 2.316 1.00 0.00 C ATOM 1096 CD1 LEU A 77 4.788 -3.743 2.431 1.00 0.00 C ATOM 1097 CD2 LEU A 77 2.741 -2.477 1.905 1.00 0.00 C ATOM 0 H LEU A 77 4.424 -6.446 -0.010 1.00 0.00 H new ATOM 0 HA LEU A 77 3.792 -6.248 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.291 -4.735 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.776 -4.921 1.202 1.00 0.00 H new ATOM 0 HG LEU A 77 2.871 -4.090 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.057 -2.956 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.178 -4.697 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.216 -3.518 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.059 -1.721 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.117 -2.219 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.652 -2.518 1.880 1.00 0.00 H new ATOM 1109 N PRO A 78 1.335 -7.110 3.000 1.00 0.00 N ATOM 1110 CA PRO A 78 0.118 -7.924 3.191 1.00 0.00 C ATOM 1111 C PRO A 78 -1.059 -7.251 2.474 1.00 0.00 C ATOM 1112 O PRO A 78 -2.148 -7.789 2.474 1.00 0.00 O ATOM 1113 CB PRO A 78 -0.035 -7.990 4.706 1.00 0.00 C ATOM 1114 CG PRO A 78 0.412 -6.569 5.150 1.00 0.00 C ATOM 1115 CD PRO A 78 1.546 -6.182 4.154 1.00 0.00 C ATOM 0 HA PRO A 78 0.164 -8.928 2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.062 -8.203 5.001 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.591 -8.768 5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.415 -5.861 5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.772 -6.570 6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.471 -5.139 3.848 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.532 -6.314 4.599 1.00 0.00 H new ATOM 1123 N TYR A 79 -0.818 -6.105 1.877 1.00 0.00 N ATOM 1124 CA TYR A 79 -1.899 -5.366 1.158 1.00 0.00 C ATOM 1125 C TYR A 79 -1.318 -4.316 0.198 1.00 0.00 C ATOM 1126 O TYR A 79 -0.173 -3.940 0.341 1.00 0.00 O ATOM 1127 CB TYR A 79 -2.815 -4.707 2.264 1.00 0.00 C ATOM 1128 CG TYR A 79 -2.031 -3.980 3.410 1.00 0.00 C ATOM 1129 CD1 TYR A 79 -0.929 -3.168 3.187 1.00 0.00 C ATOM 1130 CD2 TYR A 79 -2.437 -4.145 4.726 1.00 0.00 C ATOM 1131 CE1 TYR A 79 -0.259 -2.551 4.222 1.00 0.00 C ATOM 1132 CE2 TYR A 79 -1.764 -3.524 5.765 1.00 0.00 C ATOM 1133 CZ TYR A 79 -0.668 -2.723 5.521 1.00 0.00 C ATOM 1134 OH TYR A 79 0.016 -2.107 6.554 1.00 0.00 O ATOM 0 H TYR A 79 0.094 -5.648 1.859 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.483 -6.044 0.535 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.481 -3.989 1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.443 -5.481 2.705 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.586 -3.015 2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.292 -4.768 4.944 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.596 -1.926 4.009 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.102 -3.669 6.780 1.00 0.00 H new ATOM 0 HH TYR A 79 0.410 -1.269 6.232 1.00 0.00 H new ATOM 1144 N THR A 80 -2.060 -3.873 -0.780 1.00 0.00 N ATOM 1145 CA THR A 80 -1.526 -2.829 -1.726 1.00 0.00 C ATOM 1146 C THR A 80 -2.725 -1.973 -2.153 1.00 0.00 C ATOM 1147 O THR A 80 -3.820 -2.176 -1.673 1.00 0.00 O ATOM 1148 CB THR A 80 -0.829 -3.526 -2.987 1.00 0.00 C ATOM 1149 OG1 THR A 80 -0.364 -2.503 -3.876 1.00 0.00 O ATOM 1150 CG2 THR A 80 -1.772 -4.314 -3.858 1.00 0.00 C ATOM 0 H THR A 80 -3.013 -4.183 -0.972 1.00 0.00 H new ATOM 0 HA THR A 80 -0.765 -2.210 -1.250 1.00 0.00 H new ATOM 0 HB THR A 80 -0.065 -4.176 -2.561 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.167 -2.909 -4.593 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.219 -4.753 -4.689 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.234 -5.107 -3.270 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.547 -3.653 -4.247 1.00 0.00 H new ATOM 1158 N ILE A 81 -2.512 -1.057 -3.047 1.00 0.00 N ATOM 1159 CA ILE A 81 -3.596 -0.181 -3.518 1.00 0.00 C ATOM 1160 C ILE A 81 -4.492 -1.014 -4.472 1.00 0.00 C ATOM 1161 O ILE A 81 -4.503 -0.797 -5.664 1.00 0.00 O ATOM 1162 CB ILE A 81 -2.816 1.050 -4.139 1.00 0.00 C ATOM 1163 CG1 ILE A 81 -3.716 1.967 -4.917 1.00 0.00 C ATOM 1164 CG2 ILE A 81 -1.661 0.647 -5.022 1.00 0.00 C ATOM 1165 CD1 ILE A 81 -4.249 3.105 -4.065 1.00 0.00 C ATOM 0 H ILE A 81 -1.605 -0.879 -3.479 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.298 0.202 -2.778 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.419 1.578 -3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.169 2.376 -5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.552 1.396 -5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.173 1.540 -5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.944 0.066 -4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.030 0.043 -5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.895 3.741 -4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.820 2.698 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.416 3.694 -3.682 1.00 0.00 H new ATOM 1177 N SER A 82 -5.201 -1.967 -3.904 1.00 0.00 N ATOM 1178 CA SER A 82 -6.115 -2.852 -4.699 1.00 0.00 C ATOM 1179 C SER A 82 -7.250 -3.340 -3.787 1.00 0.00 C ATOM 1180 O SER A 82 -7.140 -3.242 -2.582 1.00 0.00 O ATOM 1181 CB SER A 82 -5.313 -4.058 -5.236 1.00 0.00 C ATOM 1182 OG SER A 82 -6.251 -4.849 -5.962 1.00 0.00 O ATOM 0 H SER A 82 -5.183 -2.171 -2.905 1.00 0.00 H new ATOM 0 HA SER A 82 -6.537 -2.301 -5.540 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.496 -3.731 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.868 -4.628 -4.420 1.00 0.00 H new ATOM 0 HG SER A 82 -5.798 -5.635 -6.332 1.00 0.00 H new