USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=16 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 62 ASN : amide:sc= -3.03 K(o=-5.5,f=-19!) USER MOD Set 1.2: A 65 ASN : amide:sc= -2.5 K(o=-5.5,f=-9.9!) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.61) USER MOD Set 2.2: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 16 TYR OH : rot 30:sc= 1.07 USER MOD Set 3.2: A 68 SER OG : rot -127:sc= 1.18 USER MOD Single : A 5 HIS : no HE2:sc= -0.61 K(o=-0.61,f=-1.4) USER MOD Single : A 8 SER OG : rot 66:sc= 1.47 USER MOD Single : A 15 SER OG : rot 114:sc= 1.4 USER MOD Single : A 18 GLN : amide:sc= -0.0872 X(o=-0.087,f=0) USER MOD Single : A 24 SER OG : rot -90:sc= -0.971 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.18 K(o=1.2,f=-0.064) USER MOD Single : A 35 HIS : no HE2:sc= -3.16 K(o=-3.2,f=-5.2!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 122:sc= 0.94 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -3.09! C(o=-3.1!,f=-8.4!) USER MOD Single : A 46 SER OG : rot 86:sc= 0.884 USER MOD Single : A 48 CYS SG : rot -21:sc= -1.33! USER MOD Single : A 59 HIS : no HE2:sc= 0.158 K(o=0.16,f=-4.2!) USER MOD Single : A 60 ASN : amide:sc= -0.569 K(o=-0.57,f=-2.5) USER MOD Single : A 72 LYS NZ :NH3+ 147:sc= -0.292 (180deg=-1.38!) USER MOD Single : A 76 ASN : amide:sc= 0.058 X(o=0.058,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.176 USER MOD Single : A 80 THR OG1 : rot 152:sc= -0.639 USER MOD Single : A 82 SER OG : rot -63:sc= -0.891 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -3.377 7.830 9.242 1.00 0.00 N ATOM 35 CA CYS A 3 -3.255 7.686 7.763 1.00 0.00 C ATOM 36 C CYS A 3 -2.697 8.962 7.121 1.00 0.00 C ATOM 37 O CYS A 3 -2.231 8.943 6.002 1.00 0.00 O ATOM 38 CB CYS A 3 -4.635 7.357 7.202 1.00 0.00 C ATOM 39 SG CYS A 3 -4.623 6.815 5.482 1.00 0.00 S ATOM 0 HA CYS A 3 -2.554 6.884 7.532 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.087 6.577 7.814 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.270 8.239 7.289 1.00 0.00 H new ATOM 44 N GLY A 4 -2.742 10.056 7.835 1.00 0.00 N ATOM 45 CA GLY A 4 -2.209 11.344 7.274 1.00 0.00 C ATOM 46 C GLY A 4 -0.738 11.186 6.860 1.00 0.00 C ATOM 47 O GLY A 4 -0.292 11.755 5.890 1.00 0.00 O ATOM 0 H GLY A 4 -3.122 10.119 8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.804 11.646 6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.300 12.136 8.017 1.00 0.00 H new ATOM 51 N HIS A 5 -0.018 10.401 7.614 1.00 0.00 N ATOM 52 CA HIS A 5 1.434 10.165 7.326 1.00 0.00 C ATOM 53 C HIS A 5 1.587 8.943 6.404 1.00 0.00 C ATOM 54 O HIS A 5 2.364 8.936 5.464 1.00 0.00 O ATOM 55 CB HIS A 5 2.131 9.917 8.666 1.00 0.00 C ATOM 56 CG HIS A 5 3.609 9.609 8.451 1.00 0.00 C ATOM 57 ND1 HIS A 5 4.507 10.470 8.114 1.00 0.00 N ATOM 58 CD2 HIS A 5 4.297 8.416 8.559 1.00 0.00 C ATOM 59 CE1 HIS A 5 5.657 9.881 8.018 1.00 0.00 C ATOM 60 NE2 HIS A 5 5.572 8.603 8.288 1.00 0.00 N ATOM 0 H HIS A 5 -0.376 9.904 8.430 1.00 0.00 H new ATOM 0 HA HIS A 5 1.879 11.024 6.823 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.026 10.794 9.305 1.00 0.00 H new ATOM 0 HB3 HIS A 5 1.652 9.086 9.183 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.338 11.462 7.948 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.854 7.468 8.827 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.574 10.383 7.748 1.00 0.00 H new ATOM 68 N VAL A 6 0.839 7.914 6.704 1.00 0.00 N ATOM 69 CA VAL A 6 0.918 6.683 5.861 1.00 0.00 C ATOM 70 C VAL A 6 0.530 7.001 4.412 1.00 0.00 C ATOM 71 O VAL A 6 1.048 6.396 3.491 1.00 0.00 O ATOM 72 CB VAL A 6 -0.026 5.584 6.396 1.00 0.00 C ATOM 73 CG1 VAL A 6 0.217 4.352 5.556 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.259 5.273 7.847 1.00 0.00 C ATOM 0 H VAL A 6 0.185 7.871 7.485 1.00 0.00 H new ATOM 0 HA VAL A 6 1.947 6.324 5.899 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.062 5.918 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.431 3.545 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.002 4.575 4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.259 4.046 5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.422 4.496 8.193 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.287 4.926 7.950 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.118 6.172 8.446 1.00 0.00 H new ATOM 84 N ASP A 7 -0.375 7.924 4.216 1.00 0.00 N ATOM 85 CA ASP A 7 -0.797 8.291 2.829 1.00 0.00 C ATOM 86 C ASP A 7 0.418 8.667 1.978 1.00 0.00 C ATOM 87 O ASP A 7 0.559 8.254 0.843 1.00 0.00 O ATOM 88 CB ASP A 7 -1.780 9.510 2.844 1.00 0.00 C ATOM 89 CG ASP A 7 -3.034 9.210 2.010 1.00 0.00 C ATOM 90 OD1 ASP A 7 -3.332 8.062 1.744 1.00 0.00 O ATOM 91 OD2 ASP A 7 -3.693 10.159 1.623 1.00 0.00 O ATOM 0 H ASP A 7 -0.843 8.442 4.960 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.298 7.421 2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.067 9.739 3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.278 10.393 2.449 1.00 0.00 H new ATOM 96 N SER A 8 1.285 9.460 2.541 1.00 0.00 N ATOM 97 CA SER A 8 2.508 9.887 1.801 1.00 0.00 C ATOM 98 C SER A 8 3.480 8.704 1.627 1.00 0.00 C ATOM 99 O SER A 8 4.265 8.679 0.700 1.00 0.00 O ATOM 100 CB SER A 8 3.164 11.046 2.590 1.00 0.00 C ATOM 101 OG SER A 8 2.575 11.031 3.887 1.00 0.00 O ATOM 0 H SER A 8 1.200 9.833 3.486 1.00 0.00 H new ATOM 0 HA SER A 8 2.245 10.229 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.244 10.912 2.652 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.989 12.001 2.095 1.00 0.00 H new ATOM 0 HG SER A 8 2.830 10.207 4.353 1.00 0.00 H new ATOM 107 N LEU A 9 3.416 7.748 2.519 1.00 0.00 N ATOM 108 CA LEU A 9 4.305 6.569 2.438 1.00 0.00 C ATOM 109 C LEU A 9 3.854 5.634 1.307 1.00 0.00 C ATOM 110 O LEU A 9 4.682 5.062 0.625 1.00 0.00 O ATOM 111 CB LEU A 9 4.236 5.903 3.812 1.00 0.00 C ATOM 112 CG LEU A 9 5.152 6.613 4.854 1.00 0.00 C ATOM 113 CD1 LEU A 9 4.897 6.022 6.220 1.00 0.00 C ATOM 114 CD2 LEU A 9 6.607 6.376 4.525 1.00 0.00 C ATOM 0 H LEU A 9 2.772 7.743 3.310 1.00 0.00 H new ATOM 0 HA LEU A 9 5.334 6.840 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.206 5.914 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.531 4.858 3.723 1.00 0.00 H new ATOM 0 HG LEU A 9 4.932 7.680 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.535 6.514 6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.851 6.169 6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.120 4.955 6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.233 6.878 5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.814 5.306 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.825 6.772 3.533 1.00 0.00 H new ATOM 126 N VAL A 10 2.564 5.490 1.134 1.00 0.00 N ATOM 127 CA VAL A 10 2.027 4.600 0.044 1.00 0.00 C ATOM 128 C VAL A 10 1.842 5.372 -1.279 1.00 0.00 C ATOM 129 O VAL A 10 1.608 4.790 -2.320 1.00 0.00 O ATOM 130 CB VAL A 10 0.649 4.016 0.477 1.00 0.00 C ATOM 131 CG1 VAL A 10 0.824 3.169 1.711 1.00 0.00 C ATOM 132 CG2 VAL A 10 -0.353 5.112 0.757 1.00 0.00 C ATOM 0 H VAL A 10 1.852 5.950 1.701 1.00 0.00 H new ATOM 0 HA VAL A 10 2.750 3.800 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 10 0.268 3.408 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.141 2.761 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.512 2.351 1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.227 3.781 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.303 4.669 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.019 5.749 1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.499 5.710 -0.143 1.00 0.00 H new ATOM 142 N ARG A 11 1.939 6.673 -1.221 1.00 0.00 N ATOM 143 CA ARG A 11 1.775 7.500 -2.460 1.00 0.00 C ATOM 144 C ARG A 11 2.847 7.230 -3.540 1.00 0.00 C ATOM 145 O ARG A 11 2.508 7.172 -4.707 1.00 0.00 O ATOM 146 CB ARG A 11 1.794 9.021 -2.065 1.00 0.00 C ATOM 147 CG ARG A 11 0.562 9.810 -2.623 1.00 0.00 C ATOM 148 CD ARG A 11 -0.719 9.057 -2.228 1.00 0.00 C ATOM 149 NE ARG A 11 -1.927 9.931 -2.340 1.00 0.00 N ATOM 150 CZ ARG A 11 -2.657 10.013 -1.268 1.00 0.00 C ATOM 151 NH1 ARG A 11 -3.199 8.930 -0.799 1.00 0.00 N ATOM 152 NH2 ARG A 11 -2.801 11.161 -0.700 1.00 0.00 N ATOM 0 H ARG A 11 2.125 7.203 -0.370 1.00 0.00 H new ATOM 0 HA ARG A 11 0.821 7.217 -2.904 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.814 9.109 -0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.711 9.477 -2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.546 10.822 -2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.629 9.900 -3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.840 8.183 -2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.627 8.692 -1.205 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.162 10.429 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.048 8.038 -1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.776 8.971 0.041 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.346 11.985 -1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.370 11.245 0.142 1.00 0.00 H new ATOM 166 N PRO A 12 4.104 7.089 -3.175 1.00 0.00 N ATOM 167 CA PRO A 12 5.169 6.778 -4.164 1.00 0.00 C ATOM 168 C PRO A 12 4.961 5.461 -4.926 1.00 0.00 C ATOM 169 O PRO A 12 5.369 5.379 -6.070 1.00 0.00 O ATOM 170 CB PRO A 12 6.470 6.796 -3.336 1.00 0.00 C ATOM 171 CG PRO A 12 5.985 6.414 -1.924 1.00 0.00 C ATOM 172 CD PRO A 12 4.687 7.217 -1.800 1.00 0.00 C ATOM 0 HA PRO A 12 5.179 7.508 -4.973 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.202 6.084 -3.718 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.943 7.778 -3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.811 5.342 -1.829 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.709 6.689 -1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.025 6.806 -1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.875 8.257 -1.533 1.00 0.00 H new ATOM 180 N CYS A 13 4.367 4.448 -4.325 1.00 0.00 N ATOM 181 CA CYS A 13 4.171 3.198 -5.070 1.00 0.00 C ATOM 182 C CYS A 13 3.061 3.349 -6.116 1.00 0.00 C ATOM 183 O CYS A 13 3.026 2.644 -7.106 1.00 0.00 O ATOM 184 CB CYS A 13 3.859 2.162 -4.067 1.00 0.00 C ATOM 185 SG CYS A 13 5.187 1.724 -2.921 1.00 0.00 S ATOM 0 H CYS A 13 4.021 4.451 -3.365 1.00 0.00 H new ATOM 0 HA CYS A 13 5.064 2.922 -5.632 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.002 2.499 -3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.551 1.259 -4.594 1.00 0.00 H new ATOM 190 N LEU A 14 2.162 4.270 -5.895 1.00 0.00 N ATOM 191 CA LEU A 14 1.035 4.515 -6.866 1.00 0.00 C ATOM 192 C LEU A 14 1.591 4.951 -8.237 1.00 0.00 C ATOM 193 O LEU A 14 1.010 4.699 -9.280 1.00 0.00 O ATOM 194 CB LEU A 14 0.118 5.674 -6.435 1.00 0.00 C ATOM 195 CG LEU A 14 -0.394 5.595 -4.990 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.393 6.717 -4.831 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.098 4.290 -4.722 1.00 0.00 C ATOM 0 H LEU A 14 2.153 4.875 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 14 0.484 3.575 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.659 6.612 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.740 5.708 -7.107 1.00 0.00 H new ATOM 0 HG LEU A 14 0.444 5.671 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.791 6.708 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.901 7.671 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.208 6.582 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.447 4.270 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.950 4.191 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.407 3.463 -4.888 1.00 0.00 H new ATOM 209 N SER A 15 2.701 5.636 -8.187 1.00 0.00 N ATOM 210 CA SER A 15 3.370 6.133 -9.436 1.00 0.00 C ATOM 211 C SER A 15 3.583 5.013 -10.466 1.00 0.00 C ATOM 212 O SER A 15 3.686 5.258 -11.649 1.00 0.00 O ATOM 213 CB SER A 15 4.725 6.741 -9.042 1.00 0.00 C ATOM 214 OG SER A 15 4.480 7.280 -7.748 1.00 0.00 O ATOM 0 H SER A 15 3.184 5.879 -7.322 1.00 0.00 H new ATOM 0 HA SER A 15 2.726 6.877 -9.904 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.513 5.988 -9.021 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.040 7.512 -9.746 1.00 0.00 H new ATOM 0 HG SER A 15 5.007 6.788 -7.084 1.00 0.00 H new ATOM 220 N TYR A 16 3.638 3.799 -9.998 1.00 0.00 N ATOM 221 CA TYR A 16 3.852 2.622 -10.903 1.00 0.00 C ATOM 222 C TYR A 16 2.496 2.012 -11.244 1.00 0.00 C ATOM 223 O TYR A 16 2.213 1.653 -12.372 1.00 0.00 O ATOM 224 CB TYR A 16 4.751 1.696 -10.111 1.00 0.00 C ATOM 225 CG TYR A 16 5.106 0.351 -10.748 1.00 0.00 C ATOM 226 CD1 TYR A 16 6.178 0.210 -11.610 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.362 -0.759 -10.436 1.00 0.00 C ATOM 228 CE1 TYR A 16 6.498 -1.021 -12.142 1.00 0.00 C ATOM 229 CE2 TYR A 16 4.680 -1.985 -10.963 1.00 0.00 C ATOM 230 CZ TYR A 16 5.749 -2.131 -11.821 1.00 0.00 C ATOM 231 OH TYR A 16 6.067 -3.367 -12.346 1.00 0.00 O ATOM 0 H TYR A 16 3.543 3.562 -9.010 1.00 0.00 H new ATOM 0 HA TYR A 16 4.316 2.862 -11.860 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.680 2.226 -9.901 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.272 1.499 -9.152 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.771 1.074 -11.870 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.518 -0.667 -9.769 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.339 -1.115 -12.813 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.085 -2.848 -10.702 1.00 0.00 H new ATOM 0 HH TYR A 16 7.033 -3.416 -12.507 1.00 0.00 H new ATOM 241 N VAL A 17 1.691 1.903 -10.228 1.00 0.00 N ATOM 242 CA VAL A 17 0.311 1.328 -10.398 1.00 0.00 C ATOM 243 C VAL A 17 -0.475 2.054 -11.495 1.00 0.00 C ATOM 244 O VAL A 17 -1.354 1.486 -12.106 1.00 0.00 O ATOM 245 CB VAL A 17 -0.521 1.455 -9.098 1.00 0.00 C ATOM 246 CG1 VAL A 17 -1.831 0.714 -9.235 1.00 0.00 C ATOM 247 CG2 VAL A 17 0.283 0.897 -7.954 1.00 0.00 C ATOM 0 H VAL A 17 1.923 2.187 -9.276 1.00 0.00 H new ATOM 0 HA VAL A 17 0.459 0.281 -10.662 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.748 2.504 -8.909 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.403 0.813 -8.313 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.402 1.134 -10.063 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.634 -0.341 -9.428 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.291 0.980 -7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.511 -0.151 -8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.212 1.458 -7.855 1.00 0.00 H new ATOM 257 N GLN A 18 -0.189 3.305 -11.714 1.00 0.00 N ATOM 258 CA GLN A 18 -0.901 4.078 -12.750 1.00 0.00 C ATOM 259 C GLN A 18 -0.702 3.469 -14.151 1.00 0.00 C ATOM 260 O GLN A 18 -1.568 3.548 -14.998 1.00 0.00 O ATOM 261 CB GLN A 18 -0.350 5.528 -12.610 1.00 0.00 C ATOM 262 CG GLN A 18 1.027 5.763 -13.323 1.00 0.00 C ATOM 263 CD GLN A 18 1.553 7.213 -13.157 1.00 0.00 C ATOM 264 OE1 GLN A 18 2.055 7.802 -14.093 1.00 0.00 O ATOM 265 NE2 GLN A 18 1.483 7.845 -12.021 1.00 0.00 N ATOM 0 H GLN A 18 0.523 3.829 -11.205 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.983 4.065 -12.618 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.082 6.224 -13.019 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.243 5.764 -11.551 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.763 5.067 -12.920 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.924 5.539 -14.385 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.069 7.389 -11.208 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.842 8.797 -11.944 1.00 0.00 H new ATOM 274 N GLY A 19 0.442 2.872 -14.356 1.00 0.00 N ATOM 275 CA GLY A 19 0.755 2.249 -15.685 1.00 0.00 C ATOM 276 C GLY A 19 1.874 3.028 -16.380 1.00 0.00 C ATOM 277 O GLY A 19 1.882 3.182 -17.582 1.00 0.00 O ATOM 0 H GLY A 19 1.181 2.786 -13.658 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.056 1.210 -15.547 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.137 2.242 -16.311 1.00 0.00 H new ATOM 281 N GLY A 20 2.808 3.499 -15.602 1.00 0.00 N ATOM 282 CA GLY A 20 3.953 4.279 -16.167 1.00 0.00 C ATOM 283 C GLY A 20 5.259 3.843 -15.497 1.00 0.00 C ATOM 284 O GLY A 20 5.292 2.819 -14.840 1.00 0.00 O ATOM 0 H GLY A 20 2.830 3.378 -14.589 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.016 4.122 -17.244 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.791 5.345 -16.010 1.00 0.00 H new ATOM 288 N PRO A 21 6.304 4.619 -15.668 1.00 0.00 N ATOM 289 CA PRO A 21 7.613 4.309 -15.035 1.00 0.00 C ATOM 290 C PRO A 21 7.532 4.579 -13.518 1.00 0.00 C ATOM 291 O PRO A 21 6.947 5.552 -13.083 1.00 0.00 O ATOM 292 CB PRO A 21 8.589 5.213 -15.778 1.00 0.00 C ATOM 293 CG PRO A 21 7.712 6.473 -16.034 1.00 0.00 C ATOM 294 CD PRO A 21 6.354 5.873 -16.471 1.00 0.00 C ATOM 0 HA PRO A 21 7.925 3.267 -15.109 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.472 5.442 -15.181 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.940 4.762 -16.706 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.613 7.084 -15.137 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.139 7.111 -16.808 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.521 6.538 -16.244 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.320 5.674 -17.542 1.00 0.00 H new ATOM 302 N GLY A 22 8.126 3.723 -12.733 1.00 0.00 N ATOM 303 CA GLY A 22 8.095 3.907 -11.256 1.00 0.00 C ATOM 304 C GLY A 22 8.407 2.564 -10.589 1.00 0.00 C ATOM 305 O GLY A 22 8.931 1.686 -11.241 1.00 0.00 O ATOM 0 H GLY A 22 8.634 2.899 -13.054 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.824 4.658 -10.953 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.116 4.268 -10.940 1.00 0.00 H new ATOM 309 N PRO A 23 8.076 2.422 -9.333 1.00 0.00 N ATOM 310 CA PRO A 23 7.355 3.440 -8.531 1.00 0.00 C ATOM 311 C PRO A 23 8.257 4.600 -8.108 1.00 0.00 C ATOM 312 O PRO A 23 7.995 5.730 -8.469 1.00 0.00 O ATOM 313 CB PRO A 23 6.812 2.627 -7.379 1.00 0.00 C ATOM 314 CG PRO A 23 7.892 1.536 -7.147 1.00 0.00 C ATOM 315 CD PRO A 23 8.374 1.192 -8.564 1.00 0.00 C ATOM 0 HA PRO A 23 6.565 3.953 -9.080 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.668 3.241 -6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.845 2.186 -7.622 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.708 1.906 -6.526 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.477 0.663 -6.642 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.438 0.955 -8.581 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.848 0.327 -8.969 1.00 0.00 H new ATOM 323 N SER A 24 9.288 4.282 -7.367 1.00 0.00 N ATOM 324 CA SER A 24 10.255 5.310 -6.862 1.00 0.00 C ATOM 325 C SER A 24 11.201 4.645 -5.874 1.00 0.00 C ATOM 326 O SER A 24 10.917 3.568 -5.383 1.00 0.00 O ATOM 327 CB SER A 24 9.492 6.414 -6.120 1.00 0.00 C ATOM 328 OG SER A 24 8.780 5.630 -5.168 1.00 0.00 O ATOM 0 H SER A 24 9.507 3.327 -7.082 1.00 0.00 H new ATOM 0 HA SER A 24 10.804 5.735 -7.702 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.159 7.136 -5.649 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.828 6.975 -6.777 1.00 0.00 H new ATOM 0 HG SER A 24 7.914 5.366 -5.544 1.00 0.00 H new ATOM 334 N GLY A 25 12.297 5.295 -5.597 1.00 0.00 N ATOM 335 CA GLY A 25 13.269 4.713 -4.623 1.00 0.00 C ATOM 336 C GLY A 25 12.664 4.850 -3.211 1.00 0.00 C ATOM 337 O GLY A 25 13.244 4.376 -2.257 1.00 0.00 O ATOM 0 H GLY A 25 12.562 6.195 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.462 3.666 -4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.225 5.233 -4.681 1.00 0.00 H new ATOM 341 N GLN A 26 11.527 5.495 -3.127 1.00 0.00 N ATOM 342 CA GLN A 26 10.819 5.702 -1.812 1.00 0.00 C ATOM 343 C GLN A 26 9.750 4.607 -1.669 1.00 0.00 C ATOM 344 O GLN A 26 9.361 4.276 -0.573 1.00 0.00 O ATOM 345 CB GLN A 26 10.080 7.048 -1.797 1.00 0.00 C ATOM 346 CG GLN A 26 10.983 8.248 -1.510 1.00 0.00 C ATOM 347 CD GLN A 26 10.980 8.452 0.005 1.00 0.00 C ATOM 348 OE1 GLN A 26 11.734 7.857 0.742 1.00 0.00 O ATOM 349 NE2 GLN A 26 10.120 9.288 0.510 1.00 0.00 N ATOM 0 H GLN A 26 11.044 5.898 -3.930 1.00 0.00 H new ATOM 0 HA GLN A 26 11.556 5.674 -1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.593 7.195 -2.761 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.292 7.010 -1.045 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.994 8.066 -1.873 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.616 9.138 -2.021 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.481 9.794 -0.103 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.085 9.437 1.518 1.00 0.00 H new ATOM 358 N CYS A 27 9.269 4.064 -2.756 1.00 0.00 N ATOM 359 CA CYS A 27 8.228 2.995 -2.634 1.00 0.00 C ATOM 360 C CYS A 27 8.724 1.864 -1.732 1.00 0.00 C ATOM 361 O CYS A 27 8.051 1.452 -0.809 1.00 0.00 O ATOM 362 CB CYS A 27 7.898 2.457 -4.020 1.00 0.00 C ATOM 363 SG CYS A 27 6.724 1.080 -4.068 1.00 0.00 S ATOM 0 H CYS A 27 9.544 4.307 -3.708 1.00 0.00 H new ATOM 0 HA CYS A 27 7.330 3.419 -2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.497 3.273 -4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.825 2.137 -4.496 1.00 0.00 H new ATOM 368 N CYS A 28 9.918 1.404 -1.973 1.00 0.00 N ATOM 369 CA CYS A 28 10.417 0.295 -1.108 1.00 0.00 C ATOM 370 C CYS A 28 10.829 0.783 0.267 1.00 0.00 C ATOM 371 O CYS A 28 10.251 0.370 1.241 1.00 0.00 O ATOM 372 CB CYS A 28 11.571 -0.377 -1.843 1.00 0.00 C ATOM 373 SG CYS A 28 10.937 -1.401 -3.185 1.00 0.00 S ATOM 0 H CYS A 28 10.552 1.731 -2.702 1.00 0.00 H new ATOM 0 HA CYS A 28 9.617 -0.424 -0.930 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.249 0.379 -2.240 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.147 -0.989 -1.149 1.00 0.00 H new ATOM 378 N ASP A 29 11.784 1.653 0.368 1.00 0.00 N ATOM 379 CA ASP A 29 12.200 2.141 1.716 1.00 0.00 C ATOM 380 C ASP A 29 11.009 2.781 2.444 1.00 0.00 C ATOM 381 O ASP A 29 10.850 2.606 3.635 1.00 0.00 O ATOM 382 CB ASP A 29 13.353 3.156 1.515 1.00 0.00 C ATOM 383 CG ASP A 29 14.567 2.662 2.327 1.00 0.00 C ATOM 384 OD1 ASP A 29 14.507 2.796 3.539 1.00 0.00 O ATOM 385 OD2 ASP A 29 15.488 2.164 1.705 1.00 0.00 O ATOM 0 H ASP A 29 12.298 2.051 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 29 12.544 1.314 2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.609 3.238 0.459 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.050 4.149 1.848 1.00 0.00 H new ATOM 390 N GLY A 30 10.187 3.479 1.714 1.00 0.00 N ATOM 391 CA GLY A 30 9.001 4.152 2.323 1.00 0.00 C ATOM 392 C GLY A 30 7.958 3.151 2.817 1.00 0.00 C ATOM 393 O GLY A 30 7.534 3.190 3.965 1.00 0.00 O ATOM 0 H GLY A 30 10.285 3.615 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.327 4.775 3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.545 4.816 1.588 1.00 0.00 H new ATOM 397 N VAL A 31 7.563 2.242 1.969 1.00 0.00 N ATOM 398 CA VAL A 31 6.537 1.254 2.406 1.00 0.00 C ATOM 399 C VAL A 31 7.158 0.182 3.320 1.00 0.00 C ATOM 400 O VAL A 31 6.494 -0.258 4.235 1.00 0.00 O ATOM 401 CB VAL A 31 5.903 0.708 1.095 1.00 0.00 C ATOM 402 CG1 VAL A 31 4.725 -0.162 1.444 1.00 0.00 C ATOM 403 CG2 VAL A 31 5.337 1.862 0.296 1.00 0.00 C ATOM 0 H VAL A 31 7.898 2.140 1.011 1.00 0.00 H new ATOM 0 HA VAL A 31 5.755 1.693 3.026 1.00 0.00 H new ATOM 0 HB VAL A 31 6.665 0.163 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.275 -0.549 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.058 -0.994 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.988 0.426 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.892 1.484 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.575 2.373 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.136 2.562 0.051 1.00 0.00 H new ATOM 413 N LYS A 32 8.379 -0.221 3.088 1.00 0.00 N ATOM 414 CA LYS A 32 9.075 -1.247 3.929 1.00 0.00 C ATOM 415 C LYS A 32 9.041 -0.698 5.368 1.00 0.00 C ATOM 416 O LYS A 32 8.718 -1.413 6.296 1.00 0.00 O ATOM 417 CB LYS A 32 10.517 -1.370 3.377 1.00 0.00 C ATOM 418 CG LYS A 32 11.415 -2.423 4.053 1.00 0.00 C ATOM 419 CD LYS A 32 12.855 -2.225 3.456 1.00 0.00 C ATOM 420 CE LYS A 32 13.881 -3.241 4.007 1.00 0.00 C ATOM 421 NZ LYS A 32 13.676 -4.593 3.396 1.00 0.00 N ATOM 0 H LYS A 32 8.947 0.133 2.318 1.00 0.00 H new ATOM 0 HA LYS A 32 8.618 -2.236 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.458 -1.601 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.002 -0.398 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.421 -2.291 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.048 -3.430 3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.808 -2.316 2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.198 -1.214 3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.892 -2.892 3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.785 -3.309 5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.377 -5.258 3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.718 -4.932 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.791 -4.529 2.364 1.00 0.00 H new ATOM 435 N ASN A 33 9.360 0.570 5.500 1.00 0.00 N ATOM 436 CA ASN A 33 9.356 1.205 6.861 1.00 0.00 C ATOM 437 C ASN A 33 7.966 1.094 7.470 1.00 0.00 C ATOM 438 O ASN A 33 7.792 0.574 8.555 1.00 0.00 O ATOM 439 CB ASN A 33 9.764 2.678 6.728 1.00 0.00 C ATOM 440 CG ASN A 33 11.251 2.753 7.026 1.00 0.00 C ATOM 441 OD1 ASN A 33 11.668 2.672 8.161 1.00 0.00 O ATOM 442 ND2 ASN A 33 12.090 2.900 6.054 1.00 0.00 N ATOM 0 H ASN A 33 9.621 1.189 4.732 1.00 0.00 H new ATOM 0 HA ASN A 33 10.065 0.694 7.513 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.552 3.048 5.725 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.199 3.299 7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.091 2.947 6.247 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.752 2.969 5.094 1.00 0.00 H new ATOM 449 N LEU A 34 6.998 1.568 6.748 1.00 0.00 N ATOM 450 CA LEU A 34 5.574 1.527 7.200 1.00 0.00 C ATOM 451 C LEU A 34 5.183 0.107 7.635 1.00 0.00 C ATOM 452 O LEU A 34 4.710 -0.121 8.730 1.00 0.00 O ATOM 453 CB LEU A 34 4.727 1.986 5.998 1.00 0.00 C ATOM 454 CG LEU A 34 3.209 1.823 6.210 1.00 0.00 C ATOM 455 CD1 LEU A 34 2.732 2.803 7.255 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.523 2.026 4.880 1.00 0.00 C ATOM 0 H LEU A 34 7.133 1.997 5.833 1.00 0.00 H new ATOM 0 HA LEU A 34 5.414 2.174 8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.945 3.034 5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.025 1.417 5.117 1.00 0.00 H new ATOM 0 HG LEU A 34 2.968 0.825 6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.658 2.684 7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.250 2.613 8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.943 3.820 6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.446 1.915 5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.744 3.026 4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.884 1.284 4.168 1.00 0.00 H new ATOM 468 N HIS A 35 5.397 -0.810 6.732 1.00 0.00 N ATOM 469 CA HIS A 35 5.061 -2.241 7.000 1.00 0.00 C ATOM 470 C HIS A 35 5.772 -2.714 8.276 1.00 0.00 C ATOM 471 O HIS A 35 5.163 -3.207 9.208 1.00 0.00 O ATOM 472 CB HIS A 35 5.497 -3.075 5.787 1.00 0.00 C ATOM 473 CG HIS A 35 4.849 -4.462 5.890 1.00 0.00 C ATOM 474 ND1 HIS A 35 5.213 -5.512 5.235 1.00 0.00 N ATOM 475 CD2 HIS A 35 3.789 -4.902 6.663 1.00 0.00 C ATOM 476 CE1 HIS A 35 4.464 -6.518 5.559 1.00 0.00 C ATOM 477 NE2 HIS A 35 3.565 -6.181 6.446 1.00 0.00 N ATOM 0 H HIS A 35 5.794 -0.629 5.810 1.00 0.00 H new ATOM 0 HA HIS A 35 3.988 -2.358 7.153 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.195 -2.584 4.862 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.583 -3.166 5.760 1.00 0.00 H new ATOM 0 HD1 HIS A 35 5.978 -5.545 4.561 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.226 -4.284 7.347 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.569 -7.511 5.148 1.00 0.00 H new ATOM 485 N ASN A 36 7.064 -2.539 8.298 1.00 0.00 N ATOM 486 CA ASN A 36 7.883 -2.949 9.483 1.00 0.00 C ATOM 487 C ASN A 36 7.288 -2.358 10.769 1.00 0.00 C ATOM 488 O ASN A 36 7.304 -2.976 11.811 1.00 0.00 O ATOM 489 CB ASN A 36 9.318 -2.414 9.353 1.00 0.00 C ATOM 490 CG ASN A 36 10.166 -2.946 10.521 1.00 0.00 C ATOM 491 OD1 ASN A 36 10.431 -4.125 10.629 1.00 0.00 O ATOM 492 ND2 ASN A 36 10.618 -2.120 11.420 1.00 0.00 N ATOM 0 H ASN A 36 7.599 -2.123 7.535 1.00 0.00 H new ATOM 0 HA ASN A 36 7.884 -4.038 9.524 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.750 -2.727 8.403 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.314 -1.324 9.358 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.182 -2.468 12.195 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.408 -1.124 11.349 1.00 0.00 H new ATOM 499 N GLN A 37 6.773 -1.163 10.654 1.00 0.00 N ATOM 500 CA GLN A 37 6.182 -0.497 11.846 1.00 0.00 C ATOM 501 C GLN A 37 4.678 -0.768 12.001 1.00 0.00 C ATOM 502 O GLN A 37 3.982 0.030 12.598 1.00 0.00 O ATOM 503 CB GLN A 37 6.474 1.002 11.678 1.00 0.00 C ATOM 504 CG GLN A 37 6.621 1.646 13.051 1.00 0.00 C ATOM 505 CD GLN A 37 6.681 3.156 12.863 1.00 0.00 C ATOM 506 OE1 GLN A 37 5.677 3.788 12.625 1.00 0.00 O ATOM 507 NE2 GLN A 37 7.802 3.809 12.943 1.00 0.00 N ATOM 0 H GLN A 37 6.737 -0.623 9.789 1.00 0.00 H new ATOM 0 HA GLN A 37 6.624 -0.894 12.760 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.386 1.143 11.098 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.667 1.481 11.124 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.780 1.375 13.690 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.525 1.288 13.544 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.669 3.311 13.142 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.814 4.820 12.807 1.00 0.00 H new ATOM 516 N ALA A 38 4.214 -1.875 11.485 1.00 0.00 N ATOM 517 CA ALA A 38 2.758 -2.216 11.593 1.00 0.00 C ATOM 518 C ALA A 38 2.588 -3.561 12.309 1.00 0.00 C ATOM 519 O ALA A 38 1.994 -4.493 11.799 1.00 0.00 O ATOM 520 CB ALA A 38 2.211 -2.271 10.189 1.00 0.00 C ATOM 0 H ALA A 38 4.781 -2.564 10.990 1.00 0.00 H new ATOM 0 HA ALA A 38 2.217 -1.470 12.176 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.150 -2.517 10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.344 -1.302 9.708 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.743 -3.034 9.621 1.00 0.00 H new ATOM 526 N ARG A 39 3.119 -3.619 13.492 1.00 0.00 N ATOM 527 CA ARG A 39 3.046 -4.859 14.314 1.00 0.00 C ATOM 528 C ARG A 39 1.787 -4.819 15.195 1.00 0.00 C ATOM 529 O ARG A 39 1.408 -5.824 15.766 1.00 0.00 O ATOM 530 CB ARG A 39 4.299 -4.852 15.134 1.00 0.00 C ATOM 531 CG ARG A 39 4.541 -6.213 15.762 1.00 0.00 C ATOM 532 CD ARG A 39 5.679 -6.074 16.771 1.00 0.00 C ATOM 533 NE ARG A 39 5.759 -7.390 17.460 1.00 0.00 N ATOM 534 CZ ARG A 39 6.881 -8.043 17.524 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.428 -8.402 16.401 1.00 0.00 N ATOM 536 NH2 ARG A 39 7.380 -8.291 18.699 1.00 0.00 N ATOM 0 H ARG A 39 3.612 -2.844 13.936 1.00 0.00 H new ATOM 0 HA ARG A 39 2.976 -5.767 13.715 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.148 -4.580 14.507 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.224 -4.095 15.914 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.637 -6.571 16.255 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.798 -6.945 14.997 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.618 -5.833 16.273 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.479 -5.271 17.480 1.00 0.00 H new ATOM 0 HE ARG A 39 4.922 -7.785 17.888 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.976 -8.169 15.516 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.309 -8.916 16.404 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.892 -7.975 19.537 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.259 -8.801 18.782 1.00 0.00 H new ATOM 550 N SER A 40 1.158 -3.677 15.274 1.00 0.00 N ATOM 551 CA SER A 40 -0.069 -3.588 16.133 1.00 0.00 C ATOM 552 C SER A 40 -1.356 -3.694 15.316 1.00 0.00 C ATOM 553 O SER A 40 -1.433 -3.166 14.221 1.00 0.00 O ATOM 554 CB SER A 40 -0.062 -2.246 16.880 1.00 0.00 C ATOM 555 OG SER A 40 1.306 -2.018 17.195 1.00 0.00 O ATOM 0 H SER A 40 1.428 -2.818 14.795 1.00 0.00 H new ATOM 0 HA SER A 40 -0.047 -4.425 16.831 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.465 -1.445 16.260 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.674 -2.290 17.781 1.00 0.00 H new ATOM 0 HG SER A 40 1.596 -1.171 16.797 1.00 0.00 H new ATOM 561 N GLN A 41 -2.347 -4.346 15.873 1.00 0.00 N ATOM 562 CA GLN A 41 -3.649 -4.509 15.159 1.00 0.00 C ATOM 563 C GLN A 41 -4.105 -3.164 14.582 1.00 0.00 C ATOM 564 O GLN A 41 -4.550 -3.099 13.455 1.00 0.00 O ATOM 565 CB GLN A 41 -4.689 -5.074 16.162 1.00 0.00 C ATOM 566 CG GLN A 41 -5.830 -5.759 15.369 1.00 0.00 C ATOM 567 CD GLN A 41 -6.735 -6.496 16.351 1.00 0.00 C ATOM 568 OE1 GLN A 41 -7.768 -6.012 16.757 1.00 0.00 O ATOM 569 NE2 GLN A 41 -6.395 -7.676 16.777 1.00 0.00 N ATOM 0 H GLN A 41 -2.308 -4.775 16.798 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.542 -5.203 14.325 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.215 -5.789 16.834 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.090 -4.272 16.782 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.402 -5.016 14.813 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.417 -6.456 14.639 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.530 -8.106 16.451 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.993 -8.172 17.438 1.00 0.00 H new ATOM 578 N SER A 42 -3.927 -2.117 15.339 1.00 0.00 N ATOM 579 CA SER A 42 -4.350 -0.760 14.874 1.00 0.00 C ATOM 580 C SER A 42 -3.373 -0.138 13.872 1.00 0.00 C ATOM 581 O SER A 42 -3.781 0.613 13.009 1.00 0.00 O ATOM 582 CB SER A 42 -4.489 0.174 16.106 1.00 0.00 C ATOM 583 OG SER A 42 -5.702 0.882 15.872 1.00 0.00 O ATOM 0 H SER A 42 -3.504 -2.140 16.267 1.00 0.00 H new ATOM 0 HA SER A 42 -5.303 -0.875 14.358 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.533 -0.395 17.034 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.641 0.853 16.188 1.00 0.00 H new ATOM 0 HG SER A 42 -5.868 1.501 16.614 1.00 0.00 H new ATOM 589 N ASP A 43 -2.118 -0.477 13.960 1.00 0.00 N ATOM 590 CA ASP A 43 -1.102 0.082 13.049 1.00 0.00 C ATOM 591 C ASP A 43 -1.215 -0.494 11.643 1.00 0.00 C ATOM 592 O ASP A 43 -0.945 0.196 10.676 1.00 0.00 O ATOM 593 CB ASP A 43 0.217 -0.212 13.784 1.00 0.00 C ATOM 594 CG ASP A 43 0.386 0.720 15.019 1.00 0.00 C ATOM 595 OD1 ASP A 43 -0.335 1.713 15.121 1.00 0.00 O ATOM 596 OD2 ASP A 43 1.251 0.364 15.798 1.00 0.00 O ATOM 0 H ASP A 43 -1.752 -1.137 14.647 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.208 1.149 12.855 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.235 -1.254 14.105 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.056 -0.074 13.102 1.00 0.00 H new ATOM 601 N ARG A 44 -1.624 -1.733 11.571 1.00 0.00 N ATOM 602 CA ARG A 44 -1.777 -2.410 10.244 1.00 0.00 C ATOM 603 C ARG A 44 -3.083 -1.885 9.621 1.00 0.00 C ATOM 604 O ARG A 44 -3.092 -1.387 8.513 1.00 0.00 O ATOM 605 CB ARG A 44 -1.845 -3.923 10.497 1.00 0.00 C ATOM 606 CG ARG A 44 -1.917 -4.680 9.151 1.00 0.00 C ATOM 607 CD ARG A 44 -2.678 -5.985 9.338 1.00 0.00 C ATOM 608 NE ARG A 44 -4.060 -5.625 9.802 1.00 0.00 N ATOM 609 CZ ARG A 44 -4.684 -6.352 10.674 1.00 0.00 C ATOM 610 NH1 ARG A 44 -4.515 -7.649 10.617 1.00 0.00 N ATOM 611 NH2 ARG A 44 -5.445 -5.733 11.532 1.00 0.00 N ATOM 0 H ARG A 44 -1.861 -2.311 12.378 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.948 -2.208 9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.969 -4.246 11.059 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.719 -4.160 11.104 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.412 -4.063 8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.912 -4.883 8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.719 -6.545 8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.179 -6.621 10.069 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.515 -4.794 9.424 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.909 -8.053 9.903 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.989 -8.255 11.286 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.530 -4.717 11.498 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.956 -6.264 12.237 1.00 0.00 H new ATOM 625 N GLN A 45 -4.153 -1.984 10.371 1.00 0.00 N ATOM 626 CA GLN A 45 -5.507 -1.520 9.915 1.00 0.00 C ATOM 627 C GLN A 45 -5.391 -0.069 9.382 1.00 0.00 C ATOM 628 O GLN A 45 -5.915 0.295 8.344 1.00 0.00 O ATOM 629 CB GLN A 45 -6.475 -1.525 11.142 1.00 0.00 C ATOM 630 CG GLN A 45 -7.775 -2.386 11.041 1.00 0.00 C ATOM 631 CD GLN A 45 -7.602 -3.734 11.753 1.00 0.00 C ATOM 632 OE1 GLN A 45 -6.778 -3.932 12.616 1.00 0.00 O ATOM 633 NE2 GLN A 45 -8.373 -4.717 11.421 1.00 0.00 N ATOM 0 H GLN A 45 -4.146 -2.380 11.311 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.883 -2.177 9.131 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.913 -1.868 12.011 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.770 -0.495 11.340 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.610 -1.842 11.483 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.023 -2.554 9.993 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.080 -4.589 10.697 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.274 -5.621 11.883 1.00 0.00 H new ATOM 642 N SER A 46 -4.691 0.741 10.144 1.00 0.00 N ATOM 643 CA SER A 46 -4.497 2.174 9.754 1.00 0.00 C ATOM 644 C SER A 46 -3.945 2.284 8.327 1.00 0.00 C ATOM 645 O SER A 46 -4.587 2.784 7.418 1.00 0.00 O ATOM 646 CB SER A 46 -3.499 2.844 10.737 1.00 0.00 C ATOM 647 OG SER A 46 -4.202 3.163 11.934 1.00 0.00 O ATOM 0 H SER A 46 -4.245 0.470 11.020 1.00 0.00 H new ATOM 0 HA SER A 46 -5.464 2.676 9.795 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.668 2.172 10.952 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.075 3.745 10.293 1.00 0.00 H new ATOM 0 HG SER A 46 -4.206 2.384 12.529 1.00 0.00 H new ATOM 653 N ALA A 47 -2.740 1.798 8.154 1.00 0.00 N ATOM 654 CA ALA A 47 -2.100 1.855 6.802 1.00 0.00 C ATOM 655 C ALA A 47 -3.001 1.178 5.770 1.00 0.00 C ATOM 656 O ALA A 47 -3.140 1.659 4.655 1.00 0.00 O ATOM 657 CB ALA A 47 -0.769 1.149 6.853 1.00 0.00 C ATOM 0 H ALA A 47 -2.175 1.367 8.885 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.953 2.896 6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.299 1.188 5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.125 1.639 7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.920 0.109 7.142 1.00 0.00 H new ATOM 663 N CYS A 48 -3.599 0.082 6.163 1.00 0.00 N ATOM 664 CA CYS A 48 -4.498 -0.659 5.268 1.00 0.00 C ATOM 665 C CYS A 48 -5.608 0.270 4.744 1.00 0.00 C ATOM 666 O CYS A 48 -5.962 0.225 3.578 1.00 0.00 O ATOM 667 CB CYS A 48 -4.992 -1.817 6.114 1.00 0.00 C ATOM 668 SG CYS A 48 -3.869 -3.211 6.359 1.00 0.00 S ATOM 0 H CYS A 48 -3.490 -0.328 7.090 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.022 -1.036 4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.261 -1.426 7.095 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.907 -2.198 5.661 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.977 -3.221 5.413 1.00 0.00 H new ATOM 673 N ASN A 49 -6.135 1.111 5.604 1.00 0.00 N ATOM 674 CA ASN A 49 -7.219 2.023 5.111 1.00 0.00 C ATOM 675 C ASN A 49 -6.698 3.060 4.127 1.00 0.00 C ATOM 676 O ASN A 49 -7.427 3.478 3.242 1.00 0.00 O ATOM 677 CB ASN A 49 -7.914 2.697 6.314 1.00 0.00 C ATOM 678 CG ASN A 49 -9.106 1.819 6.578 1.00 0.00 C ATOM 679 OD1 ASN A 49 -9.958 1.654 5.724 1.00 0.00 O ATOM 680 ND2 ASN A 49 -9.232 1.228 7.711 1.00 0.00 N ATOM 0 H ASN A 49 -5.876 1.206 6.586 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.946 1.420 4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.254 2.747 7.180 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.214 3.719 6.082 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.039 0.629 7.887 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.525 1.358 8.435 1.00 0.00 H new ATOM 687 N CYS A 50 -5.464 3.445 4.275 1.00 0.00 N ATOM 688 CA CYS A 50 -4.875 4.453 3.338 1.00 0.00 C ATOM 689 C CYS A 50 -4.931 3.893 1.909 1.00 0.00 C ATOM 690 O CYS A 50 -5.451 4.508 0.994 1.00 0.00 O ATOM 691 CB CYS A 50 -3.444 4.715 3.787 1.00 0.00 C ATOM 692 SG CYS A 50 -3.369 5.231 5.514 1.00 0.00 S ATOM 0 H CYS A 50 -4.833 3.109 5.003 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.428 5.392 3.348 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.849 3.812 3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.001 5.486 3.157 1.00 0.00 H new ATOM 697 N LEU A 51 -4.420 2.703 1.738 1.00 0.00 N ATOM 698 CA LEU A 51 -4.435 2.084 0.369 1.00 0.00 C ATOM 699 C LEU A 51 -5.868 1.953 -0.154 1.00 0.00 C ATOM 700 O LEU A 51 -6.114 2.202 -1.320 1.00 0.00 O ATOM 701 CB LEU A 51 -3.790 0.674 0.382 1.00 0.00 C ATOM 702 CG LEU A 51 -2.243 0.754 0.600 1.00 0.00 C ATOM 703 CD1 LEU A 51 -1.947 0.955 2.065 1.00 0.00 C ATOM 704 CD2 LEU A 51 -1.548 -0.475 0.065 1.00 0.00 C ATOM 0 H LEU A 51 -3.997 2.135 2.472 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.860 2.741 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.240 0.074 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.000 0.168 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.856 1.607 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.869 1.010 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.408 1.882 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.350 0.118 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.474 -0.388 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.925 -1.359 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.742 -0.567 -1.004 1.00 0.00 H new ATOM 716 N LYS A 52 -6.757 1.575 0.711 1.00 0.00 N ATOM 717 CA LYS A 52 -8.191 1.408 0.342 1.00 0.00 C ATOM 718 C LYS A 52 -8.755 2.718 -0.240 1.00 0.00 C ATOM 719 O LYS A 52 -9.207 2.736 -1.371 1.00 0.00 O ATOM 720 CB LYS A 52 -8.828 0.992 1.627 1.00 0.00 C ATOM 721 CG LYS A 52 -10.198 0.396 1.456 1.00 0.00 C ATOM 722 CD LYS A 52 -10.653 0.197 2.893 1.00 0.00 C ATOM 723 CE LYS A 52 -11.866 -0.680 2.947 1.00 0.00 C ATOM 724 NZ LYS A 52 -12.287 -0.729 4.379 1.00 0.00 N ATOM 0 H LYS A 52 -6.548 1.368 1.688 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.373 0.673 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.184 0.265 2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.898 1.858 2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.865 1.062 0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.165 -0.545 0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.848 -0.251 3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.876 1.163 3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.663 -0.279 2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.640 -1.679 2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.131 -1.329 4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.516 -1.124 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.508 0.232 4.709 1.00 0.00 H new ATOM 738 N GLY A 53 -8.698 3.764 0.548 1.00 0.00 N ATOM 739 CA GLY A 53 -9.205 5.103 0.115 1.00 0.00 C ATOM 740 C GLY A 53 -8.577 5.478 -1.225 1.00 0.00 C ATOM 741 O GLY A 53 -9.255 5.999 -2.089 1.00 0.00 O ATOM 0 H GLY A 53 -8.313 3.745 1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.291 5.081 0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.962 5.855 0.865 1.00 0.00 H new ATOM 745 N ILE A 54 -7.307 5.196 -1.353 1.00 0.00 N ATOM 746 CA ILE A 54 -6.566 5.504 -2.611 1.00 0.00 C ATOM 747 C ILE A 54 -7.143 4.739 -3.798 1.00 0.00 C ATOM 748 O ILE A 54 -7.670 5.320 -4.721 1.00 0.00 O ATOM 749 CB ILE A 54 -5.082 5.124 -2.386 1.00 0.00 C ATOM 750 CG1 ILE A 54 -4.452 6.135 -1.399 1.00 0.00 C ATOM 751 CG2 ILE A 54 -4.349 5.094 -3.705 1.00 0.00 C ATOM 752 CD1 ILE A 54 -3.015 5.697 -0.978 1.00 0.00 C ATOM 0 H ILE A 54 -6.743 4.757 -0.625 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.659 6.565 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.008 4.126 -1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.413 7.121 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.082 6.223 -0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.306 4.826 -3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.811 4.357 -4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.399 6.078 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.600 6.428 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.059 4.722 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.380 5.634 -1.862 1.00 0.00 H new ATOM 764 N ALA A 55 -7.031 3.438 -3.762 1.00 0.00 N ATOM 765 CA ALA A 55 -7.558 2.580 -4.870 1.00 0.00 C ATOM 766 C ALA A 55 -8.986 2.999 -5.255 1.00 0.00 C ATOM 767 O ALA A 55 -9.392 2.983 -6.400 1.00 0.00 O ATOM 768 CB ALA A 55 -7.563 1.145 -4.401 1.00 0.00 C ATOM 0 H ALA A 55 -6.590 2.923 -3.000 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.922 2.695 -5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.944 0.504 -5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.547 0.842 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.201 1.052 -3.522 1.00 0.00 H new ATOM 774 N ARG A 56 -9.729 3.395 -4.266 1.00 0.00 N ATOM 775 CA ARG A 56 -11.140 3.828 -4.484 1.00 0.00 C ATOM 776 C ARG A 56 -11.279 5.127 -5.296 1.00 0.00 C ATOM 777 O ARG A 56 -12.384 5.463 -5.678 1.00 0.00 O ATOM 778 CB ARG A 56 -11.789 4.017 -3.086 1.00 0.00 C ATOM 779 CG ARG A 56 -13.256 3.579 -3.107 1.00 0.00 C ATOM 780 CD ARG A 56 -13.309 2.039 -3.125 1.00 0.00 C ATOM 781 NE ARG A 56 -14.624 1.653 -3.714 1.00 0.00 N ATOM 782 CZ ARG A 56 -14.640 1.010 -4.840 1.00 0.00 C ATOM 783 NH1 ARG A 56 -14.313 1.689 -5.900 1.00 0.00 N ATOM 784 NH2 ARG A 56 -14.974 -0.245 -4.824 1.00 0.00 N ATOM 0 H ARG A 56 -9.416 3.439 -3.296 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.638 3.059 -5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.241 3.436 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.721 5.063 -2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.779 3.965 -2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.760 3.985 -3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.488 1.632 -3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.206 1.638 -2.117 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.495 1.891 -3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.062 2.674 -5.817 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.308 1.236 -6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.214 -0.698 -3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.996 -0.778 -5.693 1.00 0.00 H new ATOM 798 N GLY A 57 -10.201 5.819 -5.552 1.00 0.00 N ATOM 799 CA GLY A 57 -10.257 7.093 -6.327 1.00 0.00 C ATOM 800 C GLY A 57 -9.287 7.098 -7.504 1.00 0.00 C ATOM 801 O GLY A 57 -8.751 8.135 -7.848 1.00 0.00 O ATOM 0 H GLY A 57 -9.265 5.549 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.271 7.248 -6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.027 7.928 -5.666 1.00 0.00 H new ATOM 805 N ILE A 58 -9.063 5.955 -8.098 1.00 0.00 N ATOM 806 CA ILE A 58 -8.124 5.900 -9.267 1.00 0.00 C ATOM 807 C ILE A 58 -8.979 5.728 -10.539 1.00 0.00 C ATOM 808 O ILE A 58 -9.802 4.836 -10.604 1.00 0.00 O ATOM 809 CB ILE A 58 -7.156 4.692 -9.091 1.00 0.00 C ATOM 810 CG1 ILE A 58 -6.490 4.690 -7.686 1.00 0.00 C ATOM 811 CG2 ILE A 58 -6.088 4.691 -10.160 1.00 0.00 C ATOM 812 CD1 ILE A 58 -5.540 5.883 -7.458 1.00 0.00 C ATOM 0 H ILE A 58 -9.482 5.064 -7.831 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.527 6.809 -9.339 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.757 3.788 -9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.268 4.704 -6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.933 3.762 -7.557 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.427 3.837 -10.013 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.556 4.622 -11.142 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.510 5.613 -10.097 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.110 5.820 -6.458 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.741 5.859 -8.199 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.097 6.815 -7.555 1.00 0.00 H new ATOM 824 N HIS A 59 -8.758 6.578 -11.509 1.00 0.00 N ATOM 825 CA HIS A 59 -9.539 6.497 -12.788 1.00 0.00 C ATOM 826 C HIS A 59 -9.078 5.279 -13.608 1.00 0.00 C ATOM 827 O HIS A 59 -9.883 4.628 -14.248 1.00 0.00 O ATOM 828 CB HIS A 59 -9.314 7.780 -13.619 1.00 0.00 C ATOM 829 CG HIS A 59 -10.345 7.856 -14.755 1.00 0.00 C ATOM 830 ND1 HIS A 59 -10.768 6.859 -15.463 1.00 0.00 N ATOM 831 CD2 HIS A 59 -11.027 8.948 -15.269 1.00 0.00 C ATOM 832 CE1 HIS A 59 -11.628 7.277 -16.336 1.00 0.00 C ATOM 833 NE2 HIS A 59 -11.820 8.569 -16.252 1.00 0.00 N ATOM 0 H HIS A 59 -8.068 7.329 -11.473 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.597 6.395 -12.549 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.400 8.658 -12.979 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.305 7.784 -14.031 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -10.469 5.890 -15.350 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -10.924 9.963 -14.915 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.127 6.636 -17.048 1.00 0.00 H new ATOM 841 N ASN A 60 -7.799 5.018 -13.588 1.00 0.00 N ATOM 842 CA ASN A 60 -7.217 3.855 -14.343 1.00 0.00 C ATOM 843 C ASN A 60 -6.260 3.058 -13.444 1.00 0.00 C ATOM 844 O ASN A 60 -5.056 3.098 -13.613 1.00 0.00 O ATOM 845 CB ASN A 60 -6.448 4.379 -15.579 1.00 0.00 C ATOM 846 CG ASN A 60 -5.413 5.428 -15.145 1.00 0.00 C ATOM 847 OD1 ASN A 60 -5.766 6.488 -14.668 1.00 0.00 O ATOM 848 ND2 ASN A 60 -4.138 5.220 -15.267 1.00 0.00 N ATOM 0 H ASN A 60 -7.114 5.570 -13.071 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.027 3.199 -14.662 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.950 3.552 -16.086 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.145 4.817 -16.293 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.474 5.934 -14.967 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.800 4.343 -15.663 1.00 0.00 H new ATOM 855 N LEU A 61 -6.795 2.346 -12.497 1.00 0.00 N ATOM 856 CA LEU A 61 -5.928 1.544 -11.574 1.00 0.00 C ATOM 857 C LEU A 61 -5.419 0.294 -12.317 1.00 0.00 C ATOM 858 O LEU A 61 -6.148 -0.318 -13.072 1.00 0.00 O ATOM 859 CB LEU A 61 -6.825 1.194 -10.355 1.00 0.00 C ATOM 860 CG LEU A 61 -6.057 0.622 -9.122 1.00 0.00 C ATOM 861 CD1 LEU A 61 -6.965 0.750 -7.923 1.00 0.00 C ATOM 862 CD2 LEU A 61 -5.782 -0.852 -9.308 1.00 0.00 C ATOM 0 H LEU A 61 -7.797 2.280 -12.316 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.042 2.082 -11.238 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.362 2.091 -10.047 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.573 0.466 -10.669 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.118 1.162 -9.000 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.459 0.359 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.212 1.800 -7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.880 0.184 -8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.246 -1.235 -8.439 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.725 -1.387 -9.417 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.176 -0.999 -10.202 1.00 0.00 H new ATOM 874 N ASN A 62 -4.186 -0.071 -12.081 1.00 0.00 N ATOM 875 CA ASN A 62 -3.608 -1.273 -12.760 1.00 0.00 C ATOM 876 C ASN A 62 -3.251 -2.334 -11.713 1.00 0.00 C ATOM 877 O ASN A 62 -2.217 -2.235 -11.071 1.00 0.00 O ATOM 878 CB ASN A 62 -2.369 -0.823 -13.513 1.00 0.00 C ATOM 879 CG ASN A 62 -1.661 -1.964 -14.200 1.00 0.00 C ATOM 880 OD1 ASN A 62 -1.788 -3.112 -13.827 1.00 0.00 O ATOM 881 ND2 ASN A 62 -0.891 -1.685 -15.203 1.00 0.00 N ATOM 0 H ASN A 62 -3.551 0.412 -11.446 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.325 -1.714 -13.453 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.651 -0.076 -14.255 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.682 -0.339 -12.819 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.388 -2.431 -15.683 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.787 -0.719 -15.513 1.00 0.00 H new ATOM 888 N GLU A 63 -4.107 -3.309 -11.559 1.00 0.00 N ATOM 889 CA GLU A 63 -3.853 -4.394 -10.569 1.00 0.00 C ATOM 890 C GLU A 63 -2.553 -5.144 -10.897 1.00 0.00 C ATOM 891 O GLU A 63 -1.900 -5.658 -10.005 1.00 0.00 O ATOM 892 CB GLU A 63 -5.098 -5.313 -10.593 1.00 0.00 C ATOM 893 CG GLU A 63 -5.338 -5.924 -11.997 1.00 0.00 C ATOM 894 CD GLU A 63 -6.838 -6.177 -12.197 1.00 0.00 C ATOM 895 OE1 GLU A 63 -7.476 -5.217 -12.603 1.00 0.00 O ATOM 896 OE2 GLU A 63 -7.264 -7.291 -11.935 1.00 0.00 O ATOM 0 H GLU A 63 -4.978 -3.400 -12.082 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.708 -3.996 -9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.972 -6.114 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.976 -4.743 -10.290 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.967 -5.248 -12.767 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.785 -6.858 -12.098 1.00 0.00 H new ATOM 903 N ASP A 64 -2.193 -5.175 -12.154 1.00 0.00 N ATOM 904 CA ASP A 64 -0.944 -5.888 -12.559 1.00 0.00 C ATOM 905 C ASP A 64 0.284 -5.151 -11.991 1.00 0.00 C ATOM 906 O ASP A 64 1.228 -5.743 -11.497 1.00 0.00 O ATOM 907 CB ASP A 64 -0.894 -5.945 -14.101 1.00 0.00 C ATOM 908 CG ASP A 64 -0.294 -7.294 -14.475 1.00 0.00 C ATOM 909 OD1 ASP A 64 0.920 -7.391 -14.488 1.00 0.00 O ATOM 910 OD2 ASP A 64 -1.106 -8.168 -14.711 1.00 0.00 O ATOM 0 H ASP A 64 -2.709 -4.738 -12.917 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.937 -6.903 -12.162 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.893 -5.836 -14.524 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.289 -5.130 -14.498 1.00 0.00 H new ATOM 915 N ASN A 65 0.249 -3.852 -12.045 1.00 0.00 N ATOM 916 CA ASN A 65 1.389 -3.045 -11.528 1.00 0.00 C ATOM 917 C ASN A 65 1.325 -3.027 -9.996 1.00 0.00 C ATOM 918 O ASN A 65 2.310 -3.308 -9.343 1.00 0.00 O ATOM 919 CB ASN A 65 1.252 -1.651 -12.136 1.00 0.00 C ATOM 920 CG ASN A 65 1.532 -1.671 -13.647 1.00 0.00 C ATOM 921 OD1 ASN A 65 1.423 -2.667 -14.332 1.00 0.00 O ATOM 922 ND2 ASN A 65 1.895 -0.563 -14.220 1.00 0.00 N ATOM 0 H ASN A 65 -0.525 -3.309 -12.427 1.00 0.00 H new ATOM 0 HA ASN A 65 2.359 -3.459 -11.802 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.247 -1.270 -11.955 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.945 -0.968 -11.645 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.081 -0.544 -15.223 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.994 0.288 -13.667 1.00 0.00 H new ATOM 929 N ALA A 66 0.178 -2.713 -9.447 1.00 0.00 N ATOM 930 CA ALA A 66 0.020 -2.674 -7.950 1.00 0.00 C ATOM 931 C ALA A 66 0.558 -3.954 -7.290 1.00 0.00 C ATOM 932 O ALA A 66 1.147 -3.935 -6.222 1.00 0.00 O ATOM 933 CB ALA A 66 -1.443 -2.526 -7.612 1.00 0.00 C ATOM 0 H ALA A 66 -0.665 -2.479 -9.971 1.00 0.00 H new ATOM 0 HA ALA A 66 0.593 -1.828 -7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.565 -2.497 -6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.825 -1.601 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.997 -3.372 -8.017 1.00 0.00 H new ATOM 939 N ARG A 67 0.308 -5.044 -7.955 1.00 0.00 N ATOM 940 CA ARG A 67 0.745 -6.391 -7.495 1.00 0.00 C ATOM 941 C ARG A 67 2.255 -6.570 -7.793 1.00 0.00 C ATOM 942 O ARG A 67 2.943 -7.305 -7.113 1.00 0.00 O ATOM 943 CB ARG A 67 -0.146 -7.336 -8.286 1.00 0.00 C ATOM 944 CG ARG A 67 0.050 -8.814 -7.998 1.00 0.00 C ATOM 945 CD ARG A 67 -0.717 -9.551 -9.126 1.00 0.00 C ATOM 946 NE ARG A 67 -1.358 -10.772 -8.563 1.00 0.00 N ATOM 947 CZ ARG A 67 -1.144 -11.919 -9.119 1.00 0.00 C ATOM 948 NH1 ARG A 67 -1.881 -12.207 -10.149 1.00 0.00 N ATOM 949 NH2 ARG A 67 -0.222 -12.683 -8.621 1.00 0.00 N ATOM 0 H ARG A 67 -0.204 -5.056 -8.837 1.00 0.00 H new ATOM 0 HA ARG A 67 0.645 -6.567 -6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.186 -7.080 -8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.026 -7.165 -9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.107 -9.079 -8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.342 -9.080 -7.016 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.473 -8.895 -9.558 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.033 -9.822 -9.930 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.962 -10.703 -7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.582 -11.542 -10.476 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.759 -13.098 -10.630 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.314 -12.374 -7.810 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.032 -13.593 -9.040 1.00 0.00 H new ATOM 963 N SER A 68 2.732 -5.884 -8.797 1.00 0.00 N ATOM 964 CA SER A 68 4.176 -5.999 -9.174 1.00 0.00 C ATOM 965 C SER A 68 5.090 -5.110 -8.303 1.00 0.00 C ATOM 966 O SER A 68 6.304 -5.202 -8.371 1.00 0.00 O ATOM 967 CB SER A 68 4.281 -5.651 -10.685 1.00 0.00 C ATOM 968 OG SER A 68 5.654 -5.740 -11.042 1.00 0.00 O ATOM 0 H SER A 68 2.185 -5.247 -9.375 1.00 0.00 H new ATOM 0 HA SER A 68 4.529 -7.014 -8.993 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.683 -6.340 -11.281 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.898 -4.649 -10.877 1.00 0.00 H new ATOM 0 HG SER A 68 5.932 -4.910 -11.483 1.00 0.00 H new ATOM 974 N ILE A 69 4.529 -4.275 -7.466 1.00 0.00 N ATOM 975 CA ILE A 69 5.404 -3.407 -6.610 1.00 0.00 C ATOM 976 C ILE A 69 6.052 -4.246 -5.471 1.00 0.00 C ATOM 977 O ILE A 69 7.269 -4.268 -5.390 1.00 0.00 O ATOM 978 CB ILE A 69 4.522 -2.229 -6.056 1.00 0.00 C ATOM 979 CG1 ILE A 69 3.984 -1.454 -7.280 1.00 0.00 C ATOM 980 CG2 ILE A 69 5.371 -1.284 -5.237 1.00 0.00 C ATOM 981 CD1 ILE A 69 2.928 -0.419 -6.875 1.00 0.00 C ATOM 0 H ILE A 69 3.524 -4.155 -7.337 1.00 0.00 H new ATOM 0 HA ILE A 69 6.227 -2.990 -7.191 1.00 0.00 H new ATOM 0 HB ILE A 69 3.719 -2.620 -5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.810 -0.953 -7.785 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.552 -2.155 -7.994 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.750 -0.472 -4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.812 -1.824 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.164 -0.873 -5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.574 0.106 -7.762 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.091 -0.923 -6.393 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.368 0.298 -6.181 1.00 0.00 H new ATOM 993 N PRO A 70 5.276 -4.922 -4.645 1.00 0.00 N ATOM 994 CA PRO A 70 5.854 -5.735 -3.537 1.00 0.00 C ATOM 995 C PRO A 70 6.878 -6.835 -3.925 1.00 0.00 C ATOM 996 O PRO A 70 7.878 -6.937 -3.229 1.00 0.00 O ATOM 997 CB PRO A 70 4.587 -6.277 -2.786 1.00 0.00 C ATOM 998 CG PRO A 70 3.451 -6.225 -3.831 1.00 0.00 C ATOM 999 CD PRO A 70 3.772 -4.982 -4.665 1.00 0.00 C ATOM 0 HA PRO A 70 6.502 -5.119 -2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.746 -7.294 -2.426 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.351 -5.664 -1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.433 -7.125 -4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.474 -6.145 -3.355 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.388 -5.071 -5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.329 -4.084 -4.234 1.00 0.00 H new ATOM 1007 N PRO A 71 6.649 -7.617 -4.968 1.00 0.00 N ATOM 1008 CA PRO A 71 7.606 -8.693 -5.343 1.00 0.00 C ATOM 1009 C PRO A 71 8.993 -8.159 -5.716 1.00 0.00 C ATOM 1010 O PRO A 71 9.974 -8.524 -5.103 1.00 0.00 O ATOM 1011 CB PRO A 71 6.897 -9.444 -6.492 1.00 0.00 C ATOM 1012 CG PRO A 71 5.999 -8.355 -7.128 1.00 0.00 C ATOM 1013 CD PRO A 71 5.486 -7.591 -5.903 1.00 0.00 C ATOM 0 HA PRO A 71 7.830 -9.358 -4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.611 -9.847 -7.210 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.310 -10.284 -6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.561 -7.709 -7.803 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.183 -8.789 -7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.197 -6.571 -6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.610 -8.071 -5.468 1.00 0.00 H new ATOM 1021 N LYS A 72 9.060 -7.308 -6.707 1.00 0.00 N ATOM 1022 CA LYS A 72 10.390 -6.753 -7.118 1.00 0.00 C ATOM 1023 C LYS A 72 11.110 -6.090 -5.942 1.00 0.00 C ATOM 1024 O LYS A 72 12.313 -6.164 -5.802 1.00 0.00 O ATOM 1025 CB LYS A 72 10.211 -5.706 -8.208 1.00 0.00 C ATOM 1026 CG LYS A 72 9.381 -4.504 -7.709 1.00 0.00 C ATOM 1027 CD LYS A 72 9.474 -3.384 -8.739 1.00 0.00 C ATOM 1028 CE LYS A 72 9.202 -2.064 -8.030 1.00 0.00 C ATOM 1029 NZ LYS A 72 10.239 -1.809 -6.960 1.00 0.00 N ATOM 0 H LYS A 72 8.261 -6.974 -7.247 1.00 0.00 H new ATOM 0 HA LYS A 72 10.986 -7.590 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.188 -5.360 -8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.718 -6.157 -9.069 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.341 -4.797 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.754 -4.162 -6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.462 -3.372 -9.200 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.751 -3.542 -9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.210 -1.249 -8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.208 -2.084 -7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.413 -0.787 -6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.894 -2.173 -6.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.125 -2.292 -7.213 1.00 0.00 H new ATOM 1043 N CYS A 73 10.335 -5.442 -5.122 1.00 0.00 N ATOM 1044 CA CYS A 73 10.895 -4.744 -3.940 1.00 0.00 C ATOM 1045 C CYS A 73 11.617 -5.697 -2.978 1.00 0.00 C ATOM 1046 O CYS A 73 12.780 -5.504 -2.682 1.00 0.00 O ATOM 1047 CB CYS A 73 9.712 -4.064 -3.323 1.00 0.00 C ATOM 1048 SG CYS A 73 10.038 -2.822 -2.065 1.00 0.00 S ATOM 0 H CYS A 73 9.323 -5.367 -5.224 1.00 0.00 H new ATOM 0 HA CYS A 73 11.674 -4.031 -4.210 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.139 -3.593 -4.122 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.074 -4.830 -2.883 1.00 0.00 H new ATOM 1053 N GLY A 74 10.907 -6.685 -2.497 1.00 0.00 N ATOM 1054 CA GLY A 74 11.530 -7.670 -1.553 1.00 0.00 C ATOM 1055 C GLY A 74 10.953 -7.594 -0.140 1.00 0.00 C ATOM 1056 O GLY A 74 11.534 -8.136 0.780 1.00 0.00 O ATOM 0 H GLY A 74 9.925 -6.855 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.388 -8.678 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.605 -7.493 -1.510 1.00 0.00 H new ATOM 1060 N VAL A 75 9.834 -6.929 0.000 1.00 0.00 N ATOM 1061 CA VAL A 75 9.185 -6.797 1.332 1.00 0.00 C ATOM 1062 C VAL A 75 7.857 -7.535 1.370 1.00 0.00 C ATOM 1063 O VAL A 75 7.437 -7.957 2.426 1.00 0.00 O ATOM 1064 CB VAL A 75 8.988 -5.300 1.608 1.00 0.00 C ATOM 1065 CG1 VAL A 75 10.324 -4.605 1.506 1.00 0.00 C ATOM 1066 CG2 VAL A 75 8.019 -4.652 0.647 1.00 0.00 C ATOM 0 H VAL A 75 9.340 -6.468 -0.764 1.00 0.00 H new ATOM 0 HA VAL A 75 9.815 -7.244 2.101 1.00 0.00 H new ATOM 0 HB VAL A 75 8.567 -5.203 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.196 -3.540 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.011 -5.028 2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.731 -4.745 0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.919 -3.594 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.392 -4.757 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.046 -5.137 0.729 1.00 0.00 H new ATOM 1076 N ASN A 76 7.232 -7.662 0.231 1.00 0.00 N ATOM 1077 CA ASN A 76 5.920 -8.373 0.151 1.00 0.00 C ATOM 1078 C ASN A 76 4.851 -7.853 1.138 1.00 0.00 C ATOM 1079 O ASN A 76 4.621 -8.454 2.172 1.00 0.00 O ATOM 1080 CB ASN A 76 6.181 -9.863 0.413 1.00 0.00 C ATOM 1081 CG ASN A 76 4.973 -10.643 -0.112 1.00 0.00 C ATOM 1082 OD1 ASN A 76 4.967 -11.147 -1.218 1.00 0.00 O ATOM 1083 ND2 ASN A 76 3.925 -10.747 0.651 1.00 0.00 N ATOM 0 H ASN A 76 7.577 -7.300 -0.658 1.00 0.00 H new ATOM 0 HA ASN A 76 5.510 -8.191 -0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.093 -10.186 -0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.321 -10.046 1.478 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.102 -11.250 0.321 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.926 -10.325 1.580 1.00 0.00 H new ATOM 1090 N LEU A 77 4.207 -6.763 0.805 1.00 0.00 N ATOM 1091 CA LEU A 77 3.157 -6.216 1.726 1.00 0.00 C ATOM 1092 C LEU A 77 2.005 -7.212 1.873 1.00 0.00 C ATOM 1093 O LEU A 77 1.808 -8.039 1.005 1.00 0.00 O ATOM 1094 CB LEU A 77 2.584 -4.857 1.171 1.00 0.00 C ATOM 1095 CG LEU A 77 2.930 -3.698 2.143 1.00 0.00 C ATOM 1096 CD1 LEU A 77 4.422 -3.503 2.252 1.00 0.00 C ATOM 1097 CD2 LEU A 77 2.305 -2.393 1.711 1.00 0.00 C ATOM 0 H LEU A 77 4.358 -6.232 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 77 3.622 -6.045 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.002 -4.653 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.503 -4.931 1.050 1.00 0.00 H new ATOM 0 HG LEU A 77 2.523 -3.983 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.633 -2.684 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.882 -4.418 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.831 -3.266 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.573 -1.609 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.670 -2.126 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.221 -2.501 1.682 1.00 0.00 H new ATOM 1109 N PRO A 78 1.267 -7.122 2.957 1.00 0.00 N ATOM 1110 CA PRO A 78 0.105 -8.001 3.180 1.00 0.00 C ATOM 1111 C PRO A 78 -1.143 -7.397 2.531 1.00 0.00 C ATOM 1112 O PRO A 78 -2.209 -7.962 2.674 1.00 0.00 O ATOM 1113 CB PRO A 78 -0.032 -8.116 4.705 1.00 0.00 C ATOM 1114 CG PRO A 78 1.114 -7.220 5.268 1.00 0.00 C ATOM 1115 CD PRO A 78 1.431 -6.223 4.129 1.00 0.00 C ATOM 0 HA PRO A 78 0.230 -8.986 2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.009 -7.770 5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.073 -9.149 5.036 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.801 -6.700 6.173 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.990 -7.815 5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.742 -5.379 4.108 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.437 -5.811 4.202 1.00 0.00 H new ATOM 1123 N TYR A 79 -1.006 -6.282 1.848 1.00 0.00 N ATOM 1124 CA TYR A 79 -2.191 -5.647 1.183 1.00 0.00 C ATOM 1125 C TYR A 79 -1.722 -4.487 0.286 1.00 0.00 C ATOM 1126 O TYR A 79 -0.897 -3.688 0.688 1.00 0.00 O ATOM 1127 CB TYR A 79 -3.193 -5.146 2.278 1.00 0.00 C ATOM 1128 CG TYR A 79 -2.426 -4.278 3.262 1.00 0.00 C ATOM 1129 CD1 TYR A 79 -2.293 -2.942 2.996 1.00 0.00 C ATOM 1130 CD2 TYR A 79 -1.843 -4.809 4.396 1.00 0.00 C ATOM 1131 CE1 TYR A 79 -1.583 -2.146 3.844 1.00 0.00 C ATOM 1132 CE2 TYR A 79 -1.129 -3.999 5.251 1.00 0.00 C ATOM 1133 CZ TYR A 79 -1.004 -2.659 4.961 1.00 0.00 C ATOM 1134 OH TYR A 79 -0.297 -1.782 5.747 1.00 0.00 O ATOM 0 H TYR A 79 -0.124 -5.785 1.723 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.702 -6.377 0.555 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.003 -4.578 1.821 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.648 -5.992 2.792 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.751 -2.519 2.114 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.947 -5.862 4.613 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.479 -1.093 3.625 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.672 -4.410 6.139 1.00 0.00 H new ATOM 0 HH TYR A 79 0.072 -2.259 6.519 1.00 0.00 H new ATOM 1144 N THR A 80 -2.241 -4.432 -0.913 1.00 0.00 N ATOM 1145 CA THR A 80 -1.865 -3.350 -1.878 1.00 0.00 C ATOM 1146 C THR A 80 -3.135 -2.600 -2.303 1.00 0.00 C ATOM 1147 O THR A 80 -4.241 -2.997 -1.981 1.00 0.00 O ATOM 1148 CB THR A 80 -1.119 -4.035 -3.109 1.00 0.00 C ATOM 1149 OG1 THR A 80 -1.290 -3.220 -4.271 1.00 0.00 O ATOM 1150 CG2 THR A 80 -1.690 -5.380 -3.484 1.00 0.00 C ATOM 0 H THR A 80 -2.921 -5.102 -1.272 1.00 0.00 H new ATOM 0 HA THR A 80 -1.192 -2.618 -1.432 1.00 0.00 H new ATOM 0 HB THR A 80 -0.081 -4.151 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.531 -3.351 -4.877 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.135 -5.788 -4.329 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.610 -6.059 -2.635 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.738 -5.266 -3.760 1.00 0.00 H new ATOM 1158 N ILE A 81 -2.979 -1.535 -3.047 1.00 0.00 N ATOM 1159 CA ILE A 81 -4.146 -0.748 -3.501 1.00 0.00 C ATOM 1160 C ILE A 81 -4.873 -1.426 -4.697 1.00 0.00 C ATOM 1161 O ILE A 81 -5.066 -0.844 -5.743 1.00 0.00 O ATOM 1162 CB ILE A 81 -3.631 0.631 -3.909 1.00 0.00 C ATOM 1163 CG1 ILE A 81 -2.521 0.618 -5.000 1.00 0.00 C ATOM 1164 CG2 ILE A 81 -3.160 1.451 -2.733 1.00 0.00 C ATOM 1165 CD1 ILE A 81 -2.861 1.786 -5.951 1.00 0.00 C ATOM 0 H ILE A 81 -2.076 -1.179 -3.359 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.875 -0.676 -2.694 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.510 1.101 -4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.534 0.748 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.508 -0.332 -5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.805 2.420 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.986 1.597 -2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.348 0.929 -2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.117 1.836 -6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.848 1.626 -6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.858 2.722 -5.393 1.00 0.00 H new ATOM 1177 N SER A 82 -5.285 -2.646 -4.535 1.00 0.00 N ATOM 1178 CA SER A 82 -5.994 -3.362 -5.654 1.00 0.00 C ATOM 1179 C SER A 82 -7.266 -4.039 -5.145 1.00 0.00 C ATOM 1180 O SER A 82 -7.652 -5.063 -5.672 1.00 0.00 O ATOM 1181 CB SER A 82 -5.032 -4.446 -6.257 1.00 0.00 C ATOM 1182 OG SER A 82 -4.470 -3.919 -7.449 1.00 0.00 O ATOM 0 H SER A 82 -5.167 -3.190 -3.680 1.00 0.00 H new ATOM 0 HA SER A 82 -6.271 -2.636 -6.418 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.247 -4.697 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.578 -5.366 -6.467 1.00 0.00 H new ATOM 0 HG SER A 82 -5.182 -3.758 -8.103 1.00 0.00 H new