USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 646 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 41 GLN : amide:sc= 1.87 K(o=-1.6,f=-14!) USER MOD Set 1.2: A 45 GLN :FLIP amide:sc= -4.37! C(o=-2.6!,f=-1.6!) USER MOD Set 1.3: A 88 SER OG : rot -101:sc= 0.914 USER MOD Set 2.1: A 16 TYR OH : rot -74:sc= 0.972 USER MOD Set 2.2: A 65 ASN : amide:sc= -0.828 K(o=0.14,f=-4.3) USER MOD Set 3.1: A 1 ILE N :NH3+ 171:sc= -0.11 (180deg=-0.403) USER MOD Set 3.2: A 46 SER OG : rot -132:sc= 1.24 USER MOD Set 4.1: A 40 SER OG : rot -124:sc= 0.94 USER MOD Set 4.2: A 42 SER OG : rot 180:sc= 1.29 USER MOD Single : A 5 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-0.95) USER MOD Single : A 8 SER OG : rot -20:sc= 0.555! USER MOD Single : A 15 SER OG : rot -98:sc= 0.18 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.459 F(o=-1.7,f=-0.46) USER MOD Single : A 24 SER OG : rot -87:sc= -1.52 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.68) USER MOD Single : A 35 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=-0.43) 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 49 ASN : amide:sc= 0.0203 X(o=0.02,f=-0.11) USER MOD Single : A 52 LYS NZ :NH3+ -140:sc= -0.431 (180deg=-1.48) USER MOD Single : A 59 HIS : no HE2:sc= -1.26! C(o=-1.3!,f=-4.2!) USER MOD Single : A 60 ASN : amide:sc= -0.751 K(o=-0.75,f=-6.7!) USER MOD Single : A 62 ASN : amide:sc= -0.221 K(o=-0.22,f=-11!) USER MOD Single : A 68 SER OG : rot 113:sc= 1.27 USER MOD Single : A 72 LYS NZ :NH3+ 135:sc= 1.15 (180deg=0.851) USER MOD Single : A 76 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 79 TYR OH : rot 150:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.291 USER MOD Single : A 82 SER OG : rot 180:sc= 0.124 USER MOD Single : A 84 ASN : amide:sc= 0.664 K(o=0.66,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -3.083 4.530 14.591 1.00 0.00 N ATOM 2 CA ILE A 1 -2.193 5.606 14.056 1.00 0.00 C ATOM 3 C ILE A 1 -2.981 6.408 13.001 1.00 0.00 C ATOM 4 O ILE A 1 -3.786 5.847 12.284 1.00 0.00 O ATOM 5 CB ILE A 1 -0.911 4.909 13.459 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.086 5.987 12.930 1.00 0.00 C ATOM 7 CG2 ILE A 1 -1.264 3.924 12.368 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.367 5.320 12.357 1.00 0.00 C ATOM 0 H1 ILE A 1 -2.528 3.885 15.189 1.00 0.00 H new ATOM 0 H2 ILE A 1 -3.844 4.958 15.157 1.00 0.00 H new ATOM 0 H3 ILE A 1 -3.498 3.997 13.800 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.873 6.307 14.827 1.00 0.00 H new ATOM 0 HB ILE A 1 -0.432 4.344 14.259 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -0.395 6.585 12.156 1.00 0.00 H new ATOM 0 HG13 ILE A 1 0.355 6.668 13.738 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -0.353 3.466 11.983 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.916 3.150 12.773 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -1.778 4.445 11.560 1.00 0.00 H new ATOM 0 HD11 ILE A 1 2.047 6.091 11.994 1.00 0.00 H new ATOM 0 HD12 ILE A 1 1.858 4.742 13.140 1.00 0.00 H new ATOM 0 HD13 ILE A 1 1.096 4.659 11.534 1.00 0.00 H new ATOM 22 N ASP A 2 -2.734 7.685 12.922 1.00 0.00 N ATOM 23 CA ASP A 2 -3.458 8.549 11.934 1.00 0.00 C ATOM 24 C ASP A 2 -2.769 8.456 10.575 1.00 0.00 C ATOM 25 O ASP A 2 -1.557 8.350 10.509 1.00 0.00 O ATOM 26 CB ASP A 2 -3.410 9.978 12.447 1.00 0.00 C ATOM 27 CG ASP A 2 -3.655 9.906 13.948 1.00 0.00 C ATOM 28 OD1 ASP A 2 -4.813 9.833 14.306 1.00 0.00 O ATOM 29 OD2 ASP A 2 -2.641 9.900 14.627 1.00 0.00 O ATOM 0 H ASP A 2 -2.055 8.177 13.503 1.00 0.00 H new ATOM 0 HA ASP A 2 -4.492 8.224 11.820 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.444 10.435 12.233 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.168 10.591 11.959 1.00 0.00 H new ATOM 34 N CYS A 3 -3.528 8.510 9.507 1.00 0.00 N ATOM 35 CA CYS A 3 -2.873 8.414 8.167 1.00 0.00 C ATOM 36 C CYS A 3 -2.200 9.751 7.806 1.00 0.00 C ATOM 37 O CYS A 3 -2.596 10.451 6.898 1.00 0.00 O ATOM 38 CB CYS A 3 -3.901 8.058 7.064 1.00 0.00 C ATOM 39 SG CYS A 3 -3.099 7.617 5.501 1.00 0.00 S ATOM 0 H CYS A 3 -4.543 8.613 9.503 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.125 7.623 8.223 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.520 7.226 7.401 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.567 8.906 6.903 1.00 0.00 H new ATOM 44 N GLY A 4 -1.170 10.070 8.539 1.00 0.00 N ATOM 45 CA GLY A 4 -0.425 11.339 8.292 1.00 0.00 C ATOM 46 C GLY A 4 0.845 11.021 7.502 1.00 0.00 C ATOM 47 O GLY A 4 1.060 11.556 6.434 1.00 0.00 O ATOM 0 H GLY A 4 -0.809 9.502 9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.048 12.040 7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.171 11.817 9.238 1.00 0.00 H new ATOM 51 N HIS A 5 1.664 10.148 8.027 1.00 0.00 N ATOM 52 CA HIS A 5 2.927 9.794 7.302 1.00 0.00 C ATOM 53 C HIS A 5 2.634 8.658 6.314 1.00 0.00 C ATOM 54 O HIS A 5 3.261 8.567 5.279 1.00 0.00 O ATOM 55 CB HIS A 5 4.010 9.345 8.318 1.00 0.00 C ATOM 56 CG HIS A 5 5.379 9.244 7.609 1.00 0.00 C ATOM 57 ND1 HIS A 5 6.478 8.868 8.175 1.00 0.00 N ATOM 58 CD2 HIS A 5 5.761 9.513 6.299 1.00 0.00 C ATOM 59 CE1 HIS A 5 7.452 8.896 7.322 1.00 0.00 C ATOM 60 NE2 HIS A 5 7.051 9.291 6.141 1.00 0.00 N ATOM 0 H HIS A 5 1.519 9.668 8.915 1.00 0.00 H new ATOM 0 HA HIS A 5 3.295 10.665 6.760 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.068 10.057 9.141 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.741 8.381 8.749 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.095 9.855 5.521 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.471 8.626 7.557 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.608 9.402 5.294 1.00 0.00 H new ATOM 68 N VAL A 6 1.699 7.806 6.633 1.00 0.00 N ATOM 69 CA VAL A 6 1.357 6.677 5.713 1.00 0.00 C ATOM 70 C VAL A 6 0.909 7.209 4.341 1.00 0.00 C ATOM 71 O VAL A 6 1.206 6.629 3.313 1.00 0.00 O ATOM 72 CB VAL A 6 0.198 5.828 6.262 1.00 0.00 C ATOM 73 CG1 VAL A 6 0.117 4.581 5.414 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.405 5.471 7.714 1.00 0.00 C ATOM 0 H VAL A 6 1.153 7.841 7.494 1.00 0.00 H new ATOM 0 HA VAL A 6 2.259 6.071 5.625 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.732 6.395 6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.696 3.950 5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.069 4.858 4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.058 4.034 5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.435 4.871 8.065 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.328 4.901 7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.472 6.383 8.307 1.00 0.00 H new ATOM 84 N ASP A 7 0.190 8.300 4.353 1.00 0.00 N ATOM 85 CA ASP A 7 -0.297 8.896 3.070 1.00 0.00 C ATOM 86 C ASP A 7 0.854 9.103 2.079 1.00 0.00 C ATOM 87 O ASP A 7 0.777 8.736 0.924 1.00 0.00 O ATOM 88 CB ASP A 7 -0.980 10.250 3.361 1.00 0.00 C ATOM 89 CG ASP A 7 -1.645 10.684 2.058 1.00 0.00 C ATOM 90 OD1 ASP A 7 -2.617 10.041 1.706 1.00 0.00 O ATOM 91 OD2 ASP A 7 -1.180 11.620 1.437 1.00 0.00 O ATOM 0 H ASP A 7 -0.082 8.806 5.196 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.011 8.206 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.716 10.150 4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.251 10.990 3.691 1.00 0.00 H new ATOM 96 N SER A 8 1.928 9.680 2.546 1.00 0.00 N ATOM 97 CA SER A 8 3.094 9.921 1.639 1.00 0.00 C ATOM 98 C SER A 8 3.934 8.646 1.490 1.00 0.00 C ATOM 99 O SER A 8 4.807 8.600 0.640 1.00 0.00 O ATOM 100 CB SER A 8 3.973 11.046 2.211 1.00 0.00 C ATOM 101 OG SER A 8 5.048 11.213 1.289 1.00 0.00 O ATOM 0 H SER A 8 2.051 9.994 3.509 1.00 0.00 H new ATOM 0 HA SER A 8 2.716 10.211 0.659 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.404 11.969 2.318 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.346 10.785 3.201 1.00 0.00 H new ATOM 0 HG SER A 8 5.137 10.406 0.741 1.00 0.00 H new ATOM 107 N LEU A 9 3.697 7.638 2.290 1.00 0.00 N ATOM 108 CA LEU A 9 4.486 6.394 2.176 1.00 0.00 C ATOM 109 C LEU A 9 3.869 5.476 1.112 1.00 0.00 C ATOM 110 O LEU A 9 4.585 4.774 0.426 1.00 0.00 O ATOM 111 CB LEU A 9 4.487 5.790 3.566 1.00 0.00 C ATOM 112 CG LEU A 9 5.426 6.593 4.524 1.00 0.00 C ATOM 113 CD1 LEU A 9 5.357 5.995 5.909 1.00 0.00 C ATOM 114 CD2 LEU A 9 6.868 6.592 4.067 1.00 0.00 C ATOM 0 H LEU A 9 2.984 7.632 3.019 1.00 0.00 H new ATOM 0 HA LEU A 9 5.511 6.564 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.473 5.785 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.815 4.752 3.515 1.00 0.00 H new ATOM 0 HG LEU A 9 5.078 7.626 4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.011 6.553 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.332 6.046 6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.678 4.954 5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.473 7.164 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.235 5.567 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.936 7.044 3.078 1.00 0.00 H new ATOM 126 N VAL A 10 2.571 5.488 0.986 1.00 0.00 N ATOM 127 CA VAL A 10 1.878 4.632 -0.040 1.00 0.00 C ATOM 128 C VAL A 10 1.770 5.372 -1.395 1.00 0.00 C ATOM 129 O VAL A 10 1.632 4.777 -2.449 1.00 0.00 O ATOM 130 CB VAL A 10 0.447 4.287 0.462 1.00 0.00 C ATOM 131 CG1 VAL A 10 0.512 3.607 1.808 1.00 0.00 C ATOM 132 CG2 VAL A 10 -0.456 5.496 0.562 1.00 0.00 C ATOM 0 H VAL A 10 1.946 6.060 1.554 1.00 0.00 H new ATOM 0 HA VAL A 10 2.462 3.723 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 10 0.017 3.617 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.497 3.372 2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.090 2.687 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.990 4.271 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.439 5.187 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.026 6.214 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.554 5.959 -0.420 1.00 0.00 H new ATOM 142 N ARG A 11 1.813 6.675 -1.341 1.00 0.00 N ATOM 143 CA ARG A 11 1.722 7.515 -2.581 1.00 0.00 C ATOM 144 C ARG A 11 2.795 7.153 -3.634 1.00 0.00 C ATOM 145 O ARG A 11 2.474 7.011 -4.801 1.00 0.00 O ATOM 146 CB ARG A 11 1.852 9.015 -2.155 1.00 0.00 C ATOM 147 CG ARG A 11 0.537 9.867 -2.277 1.00 0.00 C ATOM 148 CD ARG A 11 -0.717 9.177 -1.662 1.00 0.00 C ATOM 149 NE ARG A 11 -1.577 10.231 -1.012 1.00 0.00 N ATOM 150 CZ ARG A 11 -2.721 10.603 -1.505 1.00 0.00 C ATOM 151 NH1 ARG A 11 -2.738 10.939 -2.760 1.00 0.00 N ATOM 152 NH2 ARG A 11 -3.750 10.616 -0.718 1.00 0.00 N ATOM 0 H ARG A 11 1.909 7.207 -0.476 1.00 0.00 H new ATOM 0 HA ARG A 11 0.761 7.326 -3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.195 9.053 -1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.625 9.482 -2.764 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.690 10.827 -1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.346 10.075 -3.330 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.279 8.655 -2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.416 8.430 -0.928 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.248 10.669 -0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.879 10.903 -3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.610 11.239 -3.196 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.649 10.339 0.259 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.661 10.903 -1.075 1.00 0.00 H new ATOM 166 N PRO A 12 4.045 7.024 -3.239 1.00 0.00 N ATOM 167 CA PRO A 12 5.130 6.631 -4.177 1.00 0.00 C ATOM 168 C PRO A 12 4.877 5.303 -4.904 1.00 0.00 C ATOM 169 O PRO A 12 5.279 5.173 -6.042 1.00 0.00 O ATOM 170 CB PRO A 12 6.395 6.621 -3.291 1.00 0.00 C ATOM 171 CG PRO A 12 5.836 6.358 -1.881 1.00 0.00 C ATOM 172 CD PRO A 12 4.594 7.241 -1.866 1.00 0.00 C ATOM 0 HA PRO A 12 5.216 7.326 -5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.095 5.844 -3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.929 7.570 -3.342 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.592 5.307 -1.728 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.545 6.637 -1.102 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.888 6.940 -1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.839 8.288 -1.685 1.00 0.00 H new ATOM 180 N CYS A 13 4.243 4.339 -4.278 1.00 0.00 N ATOM 181 CA CYS A 13 3.999 3.066 -4.972 1.00 0.00 C ATOM 182 C CYS A 13 2.790 3.171 -5.899 1.00 0.00 C ATOM 183 O CYS A 13 2.689 2.498 -6.905 1.00 0.00 O ATOM 184 CB CYS A 13 3.813 2.086 -3.911 1.00 0.00 C ATOM 185 SG CYS A 13 5.224 1.797 -2.826 1.00 0.00 S ATOM 0 H CYS A 13 3.892 4.392 -3.322 1.00 0.00 H new ATOM 0 HA CYS A 13 4.825 2.779 -5.623 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.970 2.404 -3.297 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.534 1.137 -4.368 1.00 0.00 H new ATOM 190 N LEU A 14 1.875 4.020 -5.546 1.00 0.00 N ATOM 191 CA LEU A 14 0.642 4.237 -6.368 1.00 0.00 C ATOM 192 C LEU A 14 1.005 4.848 -7.739 1.00 0.00 C ATOM 193 O LEU A 14 0.345 4.621 -8.738 1.00 0.00 O ATOM 194 CB LEU A 14 -0.254 5.170 -5.537 1.00 0.00 C ATOM 195 CG LEU A 14 -1.570 5.500 -6.279 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.629 5.672 -5.222 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.437 6.814 -7.013 1.00 0.00 C ATOM 0 H LEU A 14 1.924 4.591 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 14 0.124 3.303 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.482 4.700 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.283 6.093 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.812 4.711 -6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.582 5.907 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.726 4.749 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.346 6.485 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.369 7.037 -7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.220 7.609 -6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.626 6.745 -7.738 1.00 0.00 H new ATOM 209 N SER A 15 2.043 5.640 -7.749 1.00 0.00 N ATOM 210 CA SER A 15 2.521 6.297 -9.012 1.00 0.00 C ATOM 211 C SER A 15 2.789 5.268 -10.129 1.00 0.00 C ATOM 212 O SER A 15 2.770 5.595 -11.297 1.00 0.00 O ATOM 213 CB SER A 15 3.830 7.044 -8.725 1.00 0.00 C ATOM 214 OG SER A 15 4.773 5.982 -8.575 1.00 0.00 O ATOM 0 H SER A 15 2.594 5.867 -6.921 1.00 0.00 H new ATOM 0 HA SER A 15 1.739 6.979 -9.347 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.101 7.714 -9.541 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.759 7.653 -7.824 1.00 0.00 H new ATOM 0 HG SER A 15 4.905 5.793 -7.622 1.00 0.00 H new ATOM 220 N TYR A 16 3.039 4.046 -9.738 1.00 0.00 N ATOM 221 CA TYR A 16 3.323 2.972 -10.739 1.00 0.00 C ATOM 222 C TYR A 16 2.042 2.228 -11.070 1.00 0.00 C ATOM 223 O TYR A 16 1.738 1.958 -12.217 1.00 0.00 O ATOM 224 CB TYR A 16 4.344 2.025 -10.137 1.00 0.00 C ATOM 225 CG TYR A 16 4.527 0.762 -10.996 1.00 0.00 C ATOM 226 CD1 TYR A 16 4.673 0.814 -12.371 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.533 -0.471 -10.381 1.00 0.00 C ATOM 228 CE1 TYR A 16 4.821 -0.347 -13.099 1.00 0.00 C ATOM 229 CE2 TYR A 16 4.681 -1.630 -11.113 1.00 0.00 C ATOM 230 CZ TYR A 16 4.825 -1.576 -12.477 1.00 0.00 C ATOM 231 OH TYR A 16 4.961 -2.733 -13.216 1.00 0.00 O ATOM 0 H TYR A 16 3.059 3.743 -8.764 1.00 0.00 H new ATOM 0 HA TYR A 16 3.715 3.402 -11.660 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.301 2.538 -10.036 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.028 1.740 -9.134 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.671 1.769 -12.876 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.420 -0.531 -9.309 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.935 -0.292 -14.172 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.684 -2.586 -10.610 1.00 0.00 H new ATOM 0 HH TYR A 16 4.127 -2.914 -13.697 1.00 0.00 H new ATOM 241 N VAL A 17 1.330 1.900 -10.035 1.00 0.00 N ATOM 242 CA VAL A 17 0.028 1.171 -10.205 1.00 0.00 C ATOM 243 C VAL A 17 -0.896 1.865 -11.213 1.00 0.00 C ATOM 244 O VAL A 17 -1.657 1.217 -11.905 1.00 0.00 O ATOM 245 CB VAL A 17 -0.726 1.076 -8.858 1.00 0.00 C ATOM 246 CG1 VAL A 17 -1.971 0.235 -9.011 1.00 0.00 C ATOM 247 CG2 VAL A 17 0.209 0.488 -7.835 1.00 0.00 C ATOM 0 H VAL A 17 1.587 2.102 -9.069 1.00 0.00 H new ATOM 0 HA VAL A 17 0.281 0.178 -10.575 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.044 2.066 -8.531 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.491 0.177 -8.055 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.627 0.688 -9.754 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.695 -0.768 -9.335 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.303 0.412 -6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.524 -0.504 -8.158 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.083 1.130 -7.730 1.00 0.00 H new ATOM 257 N GLN A 18 -0.850 3.170 -11.275 1.00 0.00 N ATOM 258 CA GLN A 18 -1.715 3.890 -12.225 1.00 0.00 C ATOM 259 C GLN A 18 -1.414 3.501 -13.679 1.00 0.00 C ATOM 260 O GLN A 18 -2.272 3.579 -14.534 1.00 0.00 O ATOM 261 CB GLN A 18 -1.487 5.357 -11.919 1.00 0.00 C ATOM 262 CG GLN A 18 -0.169 5.950 -12.465 1.00 0.00 C ATOM 263 CD GLN A 18 -0.067 7.371 -11.906 1.00 0.00 C ATOM 264 OE1 GLN A 18 -0.178 7.514 -10.615 1.00 0.00 O flip ATOM 265 NE2 GLN A 18 0.105 8.342 -12.615 1.00 0.00 N flip ATOM 0 H GLN A 18 -0.246 3.760 -10.703 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.769 3.636 -12.112 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.320 5.930 -12.327 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.506 5.493 -10.838 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.685 5.349 -12.154 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -0.171 5.961 -13.555 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.192 8.227 -13.625 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.163 9.272 -12.201 1.00 0.00 H new ATOM 274 N GLY A 19 -0.198 3.087 -13.931 1.00 0.00 N ATOM 275 CA GLY A 19 0.202 2.681 -15.317 1.00 0.00 C ATOM 276 C GLY A 19 1.184 3.689 -15.910 1.00 0.00 C ATOM 277 O GLY A 19 1.149 3.980 -17.089 1.00 0.00 O ATOM 0 H GLY A 19 0.541 3.012 -13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.658 1.691 -15.295 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.682 2.611 -15.951 1.00 0.00 H new ATOM 281 N GLY A 20 2.049 4.202 -15.078 1.00 0.00 N ATOM 282 CA GLY A 20 3.058 5.201 -15.555 1.00 0.00 C ATOM 283 C GLY A 20 4.449 4.796 -15.062 1.00 0.00 C ATOM 284 O GLY A 20 4.609 3.721 -14.513 1.00 0.00 O ATOM 0 H GLY A 20 2.104 3.974 -14.085 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.047 5.253 -16.644 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.805 6.195 -15.186 1.00 0.00 H new ATOM 288 N PRO A 21 5.424 5.653 -15.259 1.00 0.00 N ATOM 289 CA PRO A 21 6.812 5.374 -14.801 1.00 0.00 C ATOM 290 C PRO A 21 6.864 5.444 -13.265 1.00 0.00 C ATOM 291 O PRO A 21 6.318 6.358 -12.674 1.00 0.00 O ATOM 292 CB PRO A 21 7.640 6.445 -15.491 1.00 0.00 C ATOM 293 CG PRO A 21 6.646 7.644 -15.506 1.00 0.00 C ATOM 294 CD PRO A 21 5.314 6.980 -15.925 1.00 0.00 C ATOM 0 HA PRO A 21 7.187 4.381 -15.051 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.553 6.676 -14.941 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.940 6.148 -16.496 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.571 8.119 -14.528 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.953 8.415 -16.212 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.448 7.543 -15.578 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.223 6.890 -17.007 1.00 0.00 H new ATOM 302 N GLY A 22 7.516 4.501 -12.637 1.00 0.00 N ATOM 303 CA GLY A 22 7.598 4.514 -11.153 1.00 0.00 C ATOM 304 C GLY A 22 7.944 3.102 -10.677 1.00 0.00 C ATOM 305 O GLY A 22 8.432 2.319 -11.465 1.00 0.00 O ATOM 0 H GLY A 22 7.995 3.723 -13.091 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.357 5.223 -10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.650 4.838 -10.723 1.00 0.00 H new ATOM 309 N PRO A 23 7.682 2.804 -9.427 1.00 0.00 N ATOM 310 CA PRO A 23 7.047 3.747 -8.468 1.00 0.00 C ATOM 311 C PRO A 23 7.984 4.890 -8.034 1.00 0.00 C ATOM 312 O PRO A 23 7.722 6.045 -8.305 1.00 0.00 O ATOM 313 CB PRO A 23 6.617 2.816 -7.345 1.00 0.00 C ATOM 314 CG PRO A 23 7.678 1.679 -7.342 1.00 0.00 C ATOM 315 CD PRO A 23 7.981 1.472 -8.841 1.00 0.00 C ATOM 0 HA PRO A 23 6.210 4.307 -8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.592 3.336 -6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.616 2.422 -7.519 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.572 1.964 -6.787 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.292 0.770 -6.880 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.018 1.181 -9.007 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.357 0.690 -9.275 1.00 0.00 H new ATOM 323 N SER A 24 9.059 4.537 -7.378 1.00 0.00 N ATOM 324 CA SER A 24 10.063 5.539 -6.880 1.00 0.00 C ATOM 325 C SER A 24 11.030 4.837 -5.943 1.00 0.00 C ATOM 326 O SER A 24 10.730 3.772 -5.437 1.00 0.00 O ATOM 327 CB SER A 24 9.358 6.672 -6.087 1.00 0.00 C ATOM 328 OG SER A 24 8.607 5.931 -5.135 1.00 0.00 O ATOM 0 H SER A 24 9.293 3.569 -7.158 1.00 0.00 H new ATOM 0 HA SER A 24 10.584 5.968 -7.736 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.072 7.345 -5.612 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.720 7.283 -6.726 1.00 0.00 H new ATOM 0 HG SER A 24 7.739 5.688 -5.520 1.00 0.00 H new ATOM 334 N GLY A 25 12.163 5.450 -5.729 1.00 0.00 N ATOM 335 CA GLY A 25 13.166 4.838 -4.813 1.00 0.00 C ATOM 336 C GLY A 25 12.610 4.900 -3.387 1.00 0.00 C ATOM 337 O GLY A 25 13.183 4.303 -2.499 1.00 0.00 O ATOM 0 H GLY A 25 12.435 6.341 -6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.363 3.805 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.114 5.372 -4.875 1.00 0.00 H new ATOM 341 N GLN A 26 11.516 5.607 -3.205 1.00 0.00 N ATOM 342 CA GLN A 26 10.930 5.706 -1.824 1.00 0.00 C ATOM 343 C GLN A 26 9.812 4.668 -1.679 1.00 0.00 C ATOM 344 O GLN A 26 9.416 4.358 -0.576 1.00 0.00 O ATOM 345 CB GLN A 26 10.370 7.118 -1.598 1.00 0.00 C ATOM 346 CG GLN A 26 11.541 8.124 -1.570 1.00 0.00 C ATOM 347 CD GLN A 26 10.995 9.493 -1.178 1.00 0.00 C ATOM 348 OE1 GLN A 26 9.989 9.928 -1.696 1.00 0.00 O ATOM 349 NE2 GLN A 26 11.603 10.215 -0.283 1.00 0.00 N ATOM 0 H GLN A 26 11.012 6.110 -3.935 1.00 0.00 H new ATOM 0 HA GLN A 26 11.704 5.512 -1.081 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.670 7.377 -2.392 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.817 7.158 -0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.300 7.801 -0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.021 8.174 -2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.451 9.866 0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.232 11.130 -0.028 1.00 0.00 H new ATOM 358 N CYS A 27 9.317 4.132 -2.765 1.00 0.00 N ATOM 359 CA CYS A 27 8.234 3.106 -2.640 1.00 0.00 C ATOM 360 C CYS A 27 8.740 1.949 -1.778 1.00 0.00 C ATOM 361 O CYS A 27 8.035 1.488 -0.908 1.00 0.00 O ATOM 362 CB CYS A 27 7.845 2.607 -4.032 1.00 0.00 C ATOM 363 SG CYS A 27 6.709 1.196 -4.059 1.00 0.00 S ATOM 0 H CYS A 27 9.608 4.354 -3.717 1.00 0.00 H new ATOM 0 HA CYS A 27 7.355 3.543 -2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.388 3.431 -4.581 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.753 2.332 -4.568 1.00 0.00 H new ATOM 368 N CYS A 28 9.957 1.524 -1.995 1.00 0.00 N ATOM 369 CA CYS A 28 10.480 0.390 -1.177 1.00 0.00 C ATOM 370 C CYS A 28 10.868 0.816 0.229 1.00 0.00 C ATOM 371 O CYS A 28 10.332 0.296 1.176 1.00 0.00 O ATOM 372 CB CYS A 28 11.646 -0.206 -1.956 1.00 0.00 C ATOM 373 SG CYS A 28 10.988 -1.249 -3.273 1.00 0.00 S ATOM 0 H CYS A 28 10.601 1.904 -2.689 1.00 0.00 H new ATOM 0 HA CYS A 28 9.705 -0.360 -1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.265 0.587 -2.376 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.284 -0.791 -1.293 1.00 0.00 H new ATOM 378 N ASP A 29 11.767 1.736 0.366 1.00 0.00 N ATOM 379 CA ASP A 29 12.184 2.200 1.723 1.00 0.00 C ATOM 380 C ASP A 29 10.945 2.717 2.475 1.00 0.00 C ATOM 381 O ASP A 29 10.684 2.357 3.607 1.00 0.00 O ATOM 382 CB ASP A 29 13.182 3.334 1.551 1.00 0.00 C ATOM 383 CG ASP A 29 14.017 3.379 2.814 1.00 0.00 C ATOM 384 OD1 ASP A 29 13.502 3.920 3.773 1.00 0.00 O ATOM 385 OD2 ASP A 29 15.114 2.861 2.745 1.00 0.00 O ATOM 0 H ASP A 29 12.242 2.198 -0.410 1.00 0.00 H new ATOM 0 HA ASP A 29 12.637 1.384 2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.812 3.165 0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.667 4.282 1.394 1.00 0.00 H new ATOM 390 N GLY A 30 10.182 3.523 1.796 1.00 0.00 N ATOM 391 CA GLY A 30 8.953 4.118 2.394 1.00 0.00 C ATOM 392 C GLY A 30 7.945 3.075 2.869 1.00 0.00 C ATOM 393 O GLY A 30 7.503 3.090 4.005 1.00 0.00 O ATOM 0 H GLY A 30 10.361 3.801 0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.236 4.749 3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.476 4.765 1.658 1.00 0.00 H new ATOM 397 N VAL A 31 7.593 2.160 2.008 1.00 0.00 N ATOM 398 CA VAL A 31 6.604 1.109 2.391 1.00 0.00 C ATOM 399 C VAL A 31 7.258 0.055 3.293 1.00 0.00 C ATOM 400 O VAL A 31 6.623 -0.380 4.231 1.00 0.00 O ATOM 401 CB VAL A 31 6.049 0.534 1.054 1.00 0.00 C ATOM 402 CG1 VAL A 31 5.150 -0.660 1.227 1.00 0.00 C ATOM 403 CG2 VAL A 31 5.239 1.611 0.372 1.00 0.00 C ATOM 0 H VAL A 31 7.947 2.094 1.054 1.00 0.00 H new ATOM 0 HA VAL A 31 5.780 1.506 2.984 1.00 0.00 H new ATOM 0 HB VAL A 31 6.914 0.213 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.805 -1.001 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.701 -1.462 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.291 -0.383 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.841 1.227 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.415 1.911 1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.875 2.473 0.171 1.00 0.00 H new ATOM 413 N LYS A 32 8.479 -0.327 3.022 1.00 0.00 N ATOM 414 CA LYS A 32 9.201 -1.344 3.848 1.00 0.00 C ATOM 415 C LYS A 32 9.087 -0.878 5.306 1.00 0.00 C ATOM 416 O LYS A 32 8.762 -1.636 6.204 1.00 0.00 O ATOM 417 CB LYS A 32 10.693 -1.386 3.446 1.00 0.00 C ATOM 418 CG LYS A 32 11.436 -2.369 4.366 1.00 0.00 C ATOM 419 CD LYS A 32 12.961 -2.186 4.242 1.00 0.00 C ATOM 420 CE LYS A 32 13.626 -3.107 5.291 1.00 0.00 C ATOM 421 NZ LYS A 32 15.116 -2.976 5.258 1.00 0.00 N ATOM 0 H LYS A 32 9.023 0.035 2.238 1.00 0.00 H new ATOM 0 HA LYS A 32 8.777 -2.338 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.793 -1.696 2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.132 -0.391 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.129 -2.210 5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.165 -3.393 4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.298 -2.443 3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.238 -1.146 4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.258 -2.855 6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.345 -4.143 5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.536 -3.605 5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.467 -3.240 4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.383 -1.992 5.464 1.00 0.00 H new ATOM 435 N ASN A 33 9.343 0.390 5.486 1.00 0.00 N ATOM 436 CA ASN A 33 9.276 1.000 6.849 1.00 0.00 C ATOM 437 C ASN A 33 7.854 0.909 7.407 1.00 0.00 C ATOM 438 O ASN A 33 7.623 0.409 8.493 1.00 0.00 O ATOM 439 CB ASN A 33 9.732 2.464 6.718 1.00 0.00 C ATOM 440 CG ASN A 33 11.267 2.552 6.756 1.00 0.00 C ATOM 441 OD1 ASN A 33 11.895 2.138 7.709 1.00 0.00 O ATOM 442 ND2 ASN A 33 11.918 3.074 5.759 1.00 0.00 N ATOM 0 H ASN A 33 9.598 1.037 4.740 1.00 0.00 H new ATOM 0 HA ASN A 33 9.924 0.467 7.545 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.360 2.885 5.784 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.307 3.058 7.527 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.936 3.129 5.788 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.411 3.428 4.948 1.00 0.00 H new ATOM 449 N LEU A 34 6.922 1.387 6.636 1.00 0.00 N ATOM 450 CA LEU A 34 5.478 1.369 7.034 1.00 0.00 C ATOM 451 C LEU A 34 5.056 -0.038 7.479 1.00 0.00 C ATOM 452 O LEU A 34 4.535 -0.239 8.556 1.00 0.00 O ATOM 453 CB LEU A 34 4.658 1.826 5.803 1.00 0.00 C ATOM 454 CG LEU A 34 3.127 1.741 6.039 1.00 0.00 C ATOM 455 CD1 LEU A 34 2.705 2.799 7.029 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.408 1.885 4.718 1.00 0.00 C ATOM 0 H LEU A 34 7.100 1.802 5.721 1.00 0.00 H new ATOM 0 HA LEU A 34 5.304 2.036 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.927 2.852 5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.924 1.209 4.945 1.00 0.00 H new ATOM 0 HG LEU A 34 2.863 0.771 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.629 2.736 7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.225 2.641 7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.956 3.785 6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.332 1.826 4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.655 2.849 4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.718 1.085 4.046 1.00 0.00 H new ATOM 468 N HIS A 35 5.294 -0.987 6.620 1.00 0.00 N ATOM 469 CA HIS A 35 4.939 -2.412 6.909 1.00 0.00 C ATOM 470 C HIS A 35 5.484 -2.794 8.290 1.00 0.00 C ATOM 471 O HIS A 35 4.761 -3.202 9.179 1.00 0.00 O ATOM 472 CB HIS A 35 5.557 -3.265 5.788 1.00 0.00 C ATOM 473 CG HIS A 35 5.135 -4.728 5.940 1.00 0.00 C ATOM 474 ND1 HIS A 35 5.618 -5.592 6.773 1.00 0.00 N ATOM 475 CD2 HIS A 35 4.170 -5.431 5.246 1.00 0.00 C ATOM 476 CE1 HIS A 35 5.015 -6.730 6.616 1.00 0.00 C ATOM 477 NE2 HIS A 35 4.106 -6.674 5.676 1.00 0.00 N ATOM 0 H HIS A 35 5.729 -0.836 5.710 1.00 0.00 H new ATOM 0 HA HIS A 35 3.861 -2.573 6.932 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.239 -2.887 4.816 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.644 -3.188 5.820 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.554 -5.019 4.460 1.00 0.00 H new ATOM 0 HE1 HIS A 35 5.236 -7.617 7.192 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.491 -7.420 5.352 1.00 0.00 H new ATOM 485 N ASN A 36 6.768 -2.623 8.441 1.00 0.00 N ATOM 486 CA ASN A 36 7.449 -2.954 9.733 1.00 0.00 C ATOM 487 C ASN A 36 6.818 -2.182 10.909 1.00 0.00 C ATOM 488 O ASN A 36 6.827 -2.649 12.032 1.00 0.00 O ATOM 489 CB ASN A 36 8.946 -2.579 9.602 1.00 0.00 C ATOM 490 CG ASN A 36 9.825 -3.437 10.520 1.00 0.00 C ATOM 491 OD1 ASN A 36 10.018 -4.611 10.287 1.00 0.00 O ATOM 492 ND2 ASN A 36 10.389 -2.926 11.572 1.00 0.00 N ATOM 0 H ASN A 36 7.387 -2.263 7.715 1.00 0.00 H new ATOM 0 HA ASN A 36 7.336 -4.019 9.937 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.265 -2.708 8.568 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.081 -1.526 9.848 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.973 -3.509 12.172 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.248 -1.941 11.799 1.00 0.00 H new ATOM 499 N GLN A 37 6.307 -1.013 10.625 1.00 0.00 N ATOM 500 CA GLN A 37 5.675 -0.170 11.680 1.00 0.00 C ATOM 501 C GLN A 37 4.343 -0.769 12.170 1.00 0.00 C ATOM 502 O GLN A 37 3.886 -0.436 13.250 1.00 0.00 O ATOM 503 CB GLN A 37 5.532 1.238 11.035 1.00 0.00 C ATOM 504 CG GLN A 37 5.356 2.347 12.083 1.00 0.00 C ATOM 505 CD GLN A 37 5.582 3.725 11.418 1.00 0.00 C ATOM 506 OE1 GLN A 37 5.026 4.037 10.384 1.00 0.00 O ATOM 507 NE2 GLN A 37 6.390 4.588 11.967 1.00 0.00 N ATOM 0 H GLN A 37 6.301 -0.601 9.692 1.00 0.00 H new ATOM 0 HA GLN A 37 6.276 -0.115 12.588 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.414 1.449 10.431 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.676 1.240 10.360 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.356 2.299 12.514 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.063 2.205 12.900 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.871 4.355 12.836 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.541 5.496 11.528 1.00 0.00 H new ATOM 516 N ALA A 38 3.748 -1.633 11.391 1.00 0.00 N ATOM 517 CA ALA A 38 2.454 -2.236 11.825 1.00 0.00 C ATOM 518 C ALA A 38 2.738 -3.281 12.916 1.00 0.00 C ATOM 519 O ALA A 38 2.820 -4.461 12.641 1.00 0.00 O ATOM 520 CB ALA A 38 1.800 -2.849 10.609 1.00 0.00 C ATOM 0 H ALA A 38 4.096 -1.944 10.484 1.00 0.00 H new ATOM 0 HA ALA A 38 1.778 -1.492 12.247 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.849 -3.299 10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.625 -2.075 9.861 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.453 -3.615 10.192 1.00 0.00 H new ATOM 526 N ARG A 39 2.892 -2.803 14.127 1.00 0.00 N ATOM 527 CA ARG A 39 3.173 -3.720 15.273 1.00 0.00 C ATOM 528 C ARG A 39 1.838 -4.095 15.935 1.00 0.00 C ATOM 529 O ARG A 39 1.730 -5.160 16.512 1.00 0.00 O ATOM 530 CB ARG A 39 4.129 -2.976 16.238 1.00 0.00 C ATOM 531 CG ARG A 39 4.970 -4.026 17.020 1.00 0.00 C ATOM 532 CD ARG A 39 6.199 -3.349 17.659 1.00 0.00 C ATOM 533 NE ARG A 39 7.036 -2.787 16.543 1.00 0.00 N ATOM 534 CZ ARG A 39 8.277 -3.141 16.405 1.00 0.00 C ATOM 535 NH1 ARG A 39 9.127 -2.582 17.207 1.00 0.00 N ATOM 536 NH2 ARG A 39 8.591 -4.014 15.494 1.00 0.00 N ATOM 0 H ARG A 39 2.835 -1.814 14.371 1.00 0.00 H new ATOM 0 HA ARG A 39 3.653 -4.647 14.960 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.784 -2.308 15.679 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.559 -2.357 16.931 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.358 -4.491 17.793 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.292 -4.821 16.347 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.889 -2.558 18.342 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.772 -4.068 18.244 1.00 0.00 H new ATOM 0 HE ARG A 39 6.625 -2.122 15.889 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.806 -1.904 17.898 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.117 -2.820 17.147 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.866 -4.412 14.898 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.563 -4.300 15.376 1.00 0.00 H new ATOM 550 N SER A 40 0.849 -3.235 15.850 1.00 0.00 N ATOM 551 CA SER A 40 -0.477 -3.571 16.472 1.00 0.00 C ATOM 552 C SER A 40 -1.536 -3.739 15.372 1.00 0.00 C ATOM 553 O SER A 40 -1.448 -3.165 14.299 1.00 0.00 O ATOM 554 CB SER A 40 -0.991 -2.451 17.425 1.00 0.00 C ATOM 555 OG SER A 40 -2.308 -2.873 17.792 1.00 0.00 O ATOM 0 H SER A 40 0.898 -2.329 15.385 1.00 0.00 H new ATOM 0 HA SER A 40 -0.326 -4.488 17.042 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.349 -2.348 18.300 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.009 -1.482 16.926 1.00 0.00 H new ATOM 0 HG SER A 40 -2.952 -2.170 17.565 1.00 0.00 H new ATOM 561 N GLN A 41 -2.548 -4.512 15.681 1.00 0.00 N ATOM 562 CA GLN A 41 -3.675 -4.786 14.734 1.00 0.00 C ATOM 563 C GLN A 41 -4.157 -3.447 14.125 1.00 0.00 C ATOM 564 O GLN A 41 -4.391 -3.315 12.933 1.00 0.00 O ATOM 565 CB GLN A 41 -4.835 -5.472 15.546 1.00 0.00 C ATOM 566 CG GLN A 41 -5.078 -7.006 15.280 1.00 0.00 C ATOM 567 CD GLN A 41 -5.795 -7.277 13.943 1.00 0.00 C ATOM 568 OE1 GLN A 41 -5.281 -6.948 12.900 1.00 0.00 O ATOM 569 NE2 GLN A 41 -6.957 -7.854 13.860 1.00 0.00 N ATOM 0 H GLN A 41 -2.642 -4.980 16.582 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.357 -5.443 13.924 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.630 -5.340 16.608 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.761 -4.939 15.331 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.120 -7.527 15.285 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.671 -7.421 16.095 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.439 -8.154 14.707 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.386 -8.007 12.948 1.00 0.00 H new ATOM 578 N SER A 42 -4.247 -2.477 14.986 1.00 0.00 N ATOM 579 CA SER A 42 -4.706 -1.105 14.626 1.00 0.00 C ATOM 580 C SER A 42 -3.739 -0.350 13.713 1.00 0.00 C ATOM 581 O SER A 42 -4.153 0.379 12.832 1.00 0.00 O ATOM 582 CB SER A 42 -4.917 -0.334 15.960 1.00 0.00 C ATOM 583 OG SER A 42 -4.243 -1.104 16.967 1.00 0.00 O ATOM 0 H SER A 42 -4.010 -2.583 15.972 1.00 0.00 H new ATOM 0 HA SER A 42 -5.628 -1.184 14.050 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.507 0.674 15.898 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.978 -0.233 16.190 1.00 0.00 H new ATOM 0 HG SER A 42 -4.341 -0.663 17.836 1.00 0.00 H new ATOM 589 N ASP A 43 -2.468 -0.553 13.909 1.00 0.00 N ATOM 590 CA ASP A 43 -1.426 0.120 13.112 1.00 0.00 C ATOM 591 C ASP A 43 -1.479 -0.255 11.631 1.00 0.00 C ATOM 592 O ASP A 43 -1.335 0.582 10.758 1.00 0.00 O ATOM 593 CB ASP A 43 -0.119 -0.278 13.808 1.00 0.00 C ATOM 594 CG ASP A 43 -0.052 0.213 15.265 1.00 0.00 C ATOM 595 OD1 ASP A 43 -0.727 1.187 15.580 1.00 0.00 O ATOM 596 OD2 ASP A 43 0.695 -0.445 15.974 1.00 0.00 O ATOM 0 H ASP A 43 -2.102 -1.186 14.621 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.551 1.202 13.083 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.017 -1.363 13.789 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.724 0.131 13.251 1.00 0.00 H new ATOM 601 N ARG A 44 -1.706 -1.518 11.405 1.00 0.00 N ATOM 602 CA ARG A 44 -1.788 -2.078 10.012 1.00 0.00 C ATOM 603 C ARG A 44 -3.110 -1.604 9.408 1.00 0.00 C ATOM 604 O ARG A 44 -3.160 -1.033 8.336 1.00 0.00 O ATOM 605 CB ARG A 44 -1.816 -3.626 10.047 1.00 0.00 C ATOM 606 CG ARG A 44 -1.899 -4.230 8.610 1.00 0.00 C ATOM 607 CD ARG A 44 -2.659 -5.565 8.668 1.00 0.00 C ATOM 608 NE ARG A 44 -4.057 -5.259 9.131 1.00 0.00 N ATOM 609 CZ ARG A 44 -4.528 -5.789 10.217 1.00 0.00 C ATOM 610 NH1 ARG A 44 -4.443 -7.066 10.368 1.00 0.00 N ATOM 611 NH2 ARG A 44 -5.069 -5.012 11.103 1.00 0.00 N ATOM 0 H ARG A 44 -1.843 -2.209 12.142 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.925 -1.747 9.435 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.921 -3.996 10.547 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.671 -3.962 10.634 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.407 -3.537 7.940 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.897 -4.385 8.209 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.674 -6.043 7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.169 -6.257 9.353 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.642 -4.627 8.584 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.012 -7.638 9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.807 -7.505 11.214 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.117 -4.007 10.938 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.446 -5.406 11.965 1.00 0.00 H new ATOM 625 N GLN A 45 -4.164 -1.846 10.145 1.00 0.00 N ATOM 626 CA GLN A 45 -5.539 -1.459 9.707 1.00 0.00 C ATOM 627 C GLN A 45 -5.535 0.018 9.256 1.00 0.00 C ATOM 628 O GLN A 45 -6.127 0.377 8.258 1.00 0.00 O ATOM 629 CB GLN A 45 -6.487 -1.682 10.935 1.00 0.00 C ATOM 630 CG GLN A 45 -7.632 -2.742 10.723 1.00 0.00 C ATOM 631 CD GLN A 45 -7.550 -3.855 11.790 1.00 0.00 C ATOM 632 OE1 GLN A 45 -8.071 -5.018 11.532 1.00 0.00 O flip ATOM 633 NE2 GLN A 45 -7.013 -3.699 12.869 1.00 0.00 N flip ATOM 0 H GLN A 45 -4.127 -2.307 11.054 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.881 -2.057 8.862 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.882 -1.992 11.787 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.943 -0.728 11.198 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.604 -2.251 10.777 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.550 -3.179 9.728 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.594 -2.799 13.105 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.981 -4.468 13.539 1.00 0.00 H new ATOM 642 N SER A 46 -4.850 0.843 10.017 1.00 0.00 N ATOM 643 CA SER A 46 -4.781 2.306 9.671 1.00 0.00 C ATOM 644 C SER A 46 -4.198 2.524 8.268 1.00 0.00 C ATOM 645 O SER A 46 -4.848 3.016 7.359 1.00 0.00 O ATOM 646 CB SER A 46 -3.878 3.052 10.672 1.00 0.00 C ATOM 647 OG SER A 46 -4.630 3.294 11.855 1.00 0.00 O ATOM 0 H SER A 46 -4.339 0.571 10.857 1.00 0.00 H new ATOM 0 HA SER A 46 -5.801 2.689 9.709 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.992 2.459 10.899 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.531 3.992 10.243 1.00 0.00 H new ATOM 0 HG SER A 46 -4.526 4.231 12.123 1.00 0.00 H new ATOM 653 N ALA A 47 -2.956 2.136 8.125 1.00 0.00 N ATOM 654 CA ALA A 47 -2.268 2.290 6.810 1.00 0.00 C ATOM 655 C ALA A 47 -3.060 1.589 5.699 1.00 0.00 C ATOM 656 O ALA A 47 -3.071 2.029 4.558 1.00 0.00 O ATOM 657 CB ALA A 47 -0.894 1.687 6.945 1.00 0.00 C ATOM 0 H ALA A 47 -2.389 1.719 8.864 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.196 3.343 6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.360 1.782 5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.343 2.209 7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.983 0.633 7.207 1.00 0.00 H new ATOM 663 N CYS A 48 -3.688 0.497 6.051 1.00 0.00 N ATOM 664 CA CYS A 48 -4.491 -0.259 5.080 1.00 0.00 C ATOM 665 C CYS A 48 -5.606 0.630 4.542 1.00 0.00 C ATOM 666 O CYS A 48 -5.870 0.620 3.351 1.00 0.00 O ATOM 667 CB CYS A 48 -4.969 -1.477 5.840 1.00 0.00 C ATOM 668 SG CYS A 48 -3.799 -2.854 5.922 1.00 0.00 S ATOM 0 H CYS A 48 -3.670 0.101 6.991 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.943 -0.579 4.194 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.218 -1.174 6.857 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.890 -1.833 5.379 1.00 0.00 H new ATOM 673 N ASN A 49 -6.221 1.397 5.409 1.00 0.00 N ATOM 674 CA ASN A 49 -7.320 2.281 4.906 1.00 0.00 C ATOM 675 C ASN A 49 -6.788 3.342 3.963 1.00 0.00 C ATOM 676 O ASN A 49 -7.448 3.651 2.994 1.00 0.00 O ATOM 677 CB ASN A 49 -8.052 2.967 6.062 1.00 0.00 C ATOM 678 CG ASN A 49 -9.466 2.500 5.901 1.00 0.00 C ATOM 679 OD1 ASN A 49 -10.142 2.770 4.927 1.00 0.00 O ATOM 680 ND2 ASN A 49 -9.929 1.778 6.851 1.00 0.00 N ATOM 0 H ASN A 49 -6.021 1.451 6.408 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.017 1.640 4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.640 2.676 7.028 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.977 4.053 5.998 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.882 1.417 6.800 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.345 1.563 7.659 1.00 0.00 H new ATOM 687 N CYS A 50 -5.627 3.864 4.239 1.00 0.00 N ATOM 688 CA CYS A 50 -5.015 4.914 3.356 1.00 0.00 C ATOM 689 C CYS A 50 -5.077 4.426 1.889 1.00 0.00 C ATOM 690 O CYS A 50 -5.722 4.995 1.027 1.00 0.00 O ATOM 691 CB CYS A 50 -3.542 5.129 3.784 1.00 0.00 C ATOM 692 SG CYS A 50 -3.125 5.597 5.482 1.00 0.00 S ATOM 0 H CYS A 50 -5.062 3.609 5.049 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.557 5.856 3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.008 4.204 3.567 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.128 5.897 3.130 1.00 0.00 H new ATOM 697 N LEU A 51 -4.412 3.331 1.650 1.00 0.00 N ATOM 698 CA LEU A 51 -4.372 2.731 0.282 1.00 0.00 C ATOM 699 C LEU A 51 -5.758 2.403 -0.247 1.00 0.00 C ATOM 700 O LEU A 51 -6.088 2.779 -1.349 1.00 0.00 O ATOM 701 CB LEU A 51 -3.549 1.440 0.329 1.00 0.00 C ATOM 702 CG LEU A 51 -2.060 1.747 0.187 1.00 0.00 C ATOM 703 CD1 LEU A 51 -1.238 0.578 0.664 1.00 0.00 C ATOM 704 CD2 LEU A 51 -1.759 2.026 -1.262 1.00 0.00 C ATOM 0 H LEU A 51 -3.885 2.816 2.355 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.923 3.466 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.731 0.920 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.866 0.771 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.808 2.617 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.178 0.810 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.462 0.379 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.478 -0.303 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.698 2.247 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.015 1.152 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.346 2.881 -1.598 1.00 0.00 H new ATOM 716 N LYS A 52 -6.518 1.705 0.549 1.00 0.00 N ATOM 717 CA LYS A 52 -7.899 1.295 0.175 1.00 0.00 C ATOM 718 C LYS A 52 -8.722 2.522 -0.246 1.00 0.00 C ATOM 719 O LYS A 52 -9.239 2.553 -1.349 1.00 0.00 O ATOM 720 CB LYS A 52 -8.430 0.547 1.450 1.00 0.00 C ATOM 721 CG LYS A 52 -9.280 -0.694 1.127 1.00 0.00 C ATOM 722 CD LYS A 52 -10.767 -0.302 1.015 1.00 0.00 C ATOM 723 CE LYS A 52 -11.581 -1.503 0.518 1.00 0.00 C ATOM 724 NZ LYS A 52 -11.039 -1.947 -0.803 1.00 0.00 N ATOM 0 H LYS A 52 -6.227 1.392 1.475 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.958 0.638 -0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.581 0.246 2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.025 1.239 2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.943 -1.143 0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.151 -1.445 1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.141 0.027 1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.881 0.537 0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.528 -2.318 1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.632 -1.231 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.826 -2.204 -1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.492 -1.173 -1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.422 -2.773 -0.665 1.00 0.00 H new ATOM 738 N GLY A 53 -8.806 3.500 0.620 1.00 0.00 N ATOM 739 CA GLY A 53 -9.578 4.750 0.339 1.00 0.00 C ATOM 740 C GLY A 53 -9.060 5.412 -0.935 1.00 0.00 C ATOM 741 O GLY A 53 -9.817 5.974 -1.703 1.00 0.00 O ATOM 0 H GLY A 53 -8.359 3.483 1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.637 4.516 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.487 5.439 1.179 1.00 0.00 H new ATOM 745 N ILE A 54 -7.778 5.327 -1.132 1.00 0.00 N ATOM 746 CA ILE A 54 -7.144 5.933 -2.343 1.00 0.00 C ATOM 747 C ILE A 54 -7.480 5.126 -3.608 1.00 0.00 C ATOM 748 O ILE A 54 -8.143 5.608 -4.505 1.00 0.00 O ATOM 749 CB ILE A 54 -5.599 5.977 -2.049 1.00 0.00 C ATOM 750 CG1 ILE A 54 -5.248 7.118 -1.037 1.00 0.00 C ATOM 751 CG2 ILE A 54 -4.797 6.127 -3.318 1.00 0.00 C ATOM 752 CD1 ILE A 54 -3.770 6.988 -0.534 1.00 0.00 C ATOM 0 H ILE A 54 -7.129 4.858 -0.500 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.522 6.937 -2.537 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.330 5.023 -1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.390 8.088 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.930 7.078 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.735 6.154 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.998 5.283 -3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.078 7.053 -3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.552 7.793 0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.638 6.027 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.090 7.053 -1.383 1.00 0.00 H new ATOM 764 N ALA A 55 -7.015 3.905 -3.647 1.00 0.00 N ATOM 765 CA ALA A 55 -7.248 2.994 -4.809 1.00 0.00 C ATOM 766 C ALA A 55 -8.717 3.061 -5.260 1.00 0.00 C ATOM 767 O ALA A 55 -9.035 3.058 -6.437 1.00 0.00 O ATOM 768 CB ALA A 55 -6.883 1.596 -4.378 1.00 0.00 C ATOM 0 H ALA A 55 -6.465 3.488 -2.896 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.634 3.296 -5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.043 0.906 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.835 1.569 -4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.507 1.301 -3.535 1.00 0.00 H new ATOM 774 N ARG A 56 -9.595 3.139 -4.295 1.00 0.00 N ATOM 775 CA ARG A 56 -11.061 3.213 -4.587 1.00 0.00 C ATOM 776 C ARG A 56 -11.431 4.359 -5.555 1.00 0.00 C ATOM 777 O ARG A 56 -12.385 4.264 -6.307 1.00 0.00 O ATOM 778 CB ARG A 56 -11.768 3.347 -3.197 1.00 0.00 C ATOM 779 CG ARG A 56 -13.313 3.390 -3.332 1.00 0.00 C ATOM 780 CD ARG A 56 -13.769 4.860 -3.496 1.00 0.00 C ATOM 781 NE ARG A 56 -15.174 4.857 -4.003 1.00 0.00 N ATOM 782 CZ ARG A 56 -15.443 5.415 -5.148 1.00 0.00 C ATOM 783 NH1 ARG A 56 -15.753 6.677 -5.161 1.00 0.00 N ATOM 784 NH2 ARG A 56 -15.378 4.673 -6.212 1.00 0.00 N ATOM 0 H ARG A 56 -9.357 3.155 -3.303 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.393 2.318 -5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.483 2.508 -2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.422 4.254 -2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.631 2.800 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.779 2.948 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.710 5.385 -2.543 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.115 5.386 -4.191 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.917 4.421 -3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.781 7.204 -4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.968 7.140 -6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.123 3.689 -6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.582 5.075 -7.127 1.00 0.00 H new ATOM 798 N GLY A 57 -10.672 5.416 -5.509 1.00 0.00 N ATOM 799 CA GLY A 57 -10.947 6.585 -6.398 1.00 0.00 C ATOM 800 C GLY A 57 -10.342 6.366 -7.784 1.00 0.00 C ATOM 801 O GLY A 57 -10.720 7.050 -8.714 1.00 0.00 O ATOM 0 H GLY A 57 -9.867 5.524 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.023 6.736 -6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.533 7.490 -5.954 1.00 0.00 H new ATOM 805 N ILE A 58 -9.429 5.436 -7.901 1.00 0.00 N ATOM 806 CA ILE A 58 -8.801 5.181 -9.236 1.00 0.00 C ATOM 807 C ILE A 58 -9.797 4.394 -10.096 1.00 0.00 C ATOM 808 O ILE A 58 -10.020 4.735 -11.240 1.00 0.00 O ATOM 809 CB ILE A 58 -7.492 4.357 -9.066 1.00 0.00 C ATOM 810 CG1 ILE A 58 -6.602 5.032 -7.981 1.00 0.00 C ATOM 811 CG2 ILE A 58 -6.773 4.347 -10.396 1.00 0.00 C ATOM 812 CD1 ILE A 58 -5.331 4.197 -7.739 1.00 0.00 C ATOM 0 H ILE A 58 -9.093 4.847 -7.139 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.554 6.129 -9.714 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.712 3.336 -8.754 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.329 6.038 -8.299 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.162 5.132 -7.051 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.849 3.775 -10.306 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.411 3.889 -11.151 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.539 5.370 -10.691 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.718 4.680 -6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.610 3.199 -7.400 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.764 4.120 -8.667 1.00 0.00 H new ATOM 824 N HIS A 59 -10.375 3.370 -9.530 1.00 0.00 N ATOM 825 CA HIS A 59 -11.373 2.498 -10.241 1.00 0.00 C ATOM 826 C HIS A 59 -10.708 1.674 -11.358 1.00 0.00 C ATOM 827 O HIS A 59 -10.803 0.465 -11.338 1.00 0.00 O ATOM 828 CB HIS A 59 -12.514 3.345 -10.867 1.00 0.00 C ATOM 829 CG HIS A 59 -13.637 2.395 -11.318 1.00 0.00 C ATOM 830 ND1 HIS A 59 -13.478 1.189 -11.771 1.00 0.00 N ATOM 831 CD2 HIS A 59 -15.007 2.591 -11.350 1.00 0.00 C ATOM 832 CE1 HIS A 59 -14.634 0.680 -12.058 1.00 0.00 C ATOM 833 NE2 HIS A 59 -15.612 1.515 -11.812 1.00 0.00 N ATOM 0 H HIS A 59 -10.193 3.086 -8.567 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.786 1.823 -9.491 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.895 4.063 -10.141 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.139 3.918 -11.715 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -12.582 0.715 -11.884 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.508 3.496 -11.041 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -14.774 -0.315 -12.453 1.00 0.00 H new ATOM 841 N ASN A 60 -10.072 2.298 -12.307 1.00 0.00 N ATOM 842 CA ASN A 60 -9.402 1.552 -13.422 1.00 0.00 C ATOM 843 C ASN A 60 -7.908 1.403 -13.075 1.00 0.00 C ATOM 844 O ASN A 60 -7.041 1.665 -13.888 1.00 0.00 O ATOM 845 CB ASN A 60 -9.560 2.366 -14.713 1.00 0.00 C ATOM 846 CG ASN A 60 -8.998 3.787 -14.495 1.00 0.00 C ATOM 847 OD1 ASN A 60 -8.379 4.104 -13.499 1.00 0.00 O ATOM 848 ND2 ASN A 60 -9.192 4.688 -15.408 1.00 0.00 N ATOM 0 H ASN A 60 -9.983 3.313 -12.364 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.846 0.566 -13.557 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.033 1.876 -15.532 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.611 2.418 -14.997 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.828 5.632 -15.278 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.708 4.452 -16.256 1.00 0.00 H new ATOM 855 N LEU A 61 -7.621 0.971 -11.877 1.00 0.00 N ATOM 856 CA LEU A 61 -6.225 0.797 -11.441 1.00 0.00 C ATOM 857 C LEU A 61 -5.567 -0.369 -12.202 1.00 0.00 C ATOM 858 O LEU A 61 -6.204 -1.026 -13.004 1.00 0.00 O ATOM 859 CB LEU A 61 -6.359 0.604 -9.926 1.00 0.00 C ATOM 860 CG LEU A 61 -6.949 -0.783 -9.557 1.00 0.00 C ATOM 861 CD1 LEU A 61 -5.845 -1.777 -9.282 1.00 0.00 C ATOM 862 CD2 LEU A 61 -7.863 -0.686 -8.360 1.00 0.00 C ATOM 0 H LEU A 61 -8.319 0.729 -11.174 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.560 1.633 -11.657 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.380 0.715 -9.460 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.997 1.388 -9.518 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.533 -1.130 -10.409 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.281 -2.743 -9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.222 -1.884 -10.170 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.234 -1.422 -8.452 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.261 -1.673 -8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.303 -0.308 -7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.686 -0.007 -8.584 1.00 0.00 H new ATOM 874 N ASN A 62 -4.312 -0.626 -11.932 1.00 0.00 N ATOM 875 CA ASN A 62 -3.612 -1.745 -12.639 1.00 0.00 C ATOM 876 C ASN A 62 -3.134 -2.831 -11.656 1.00 0.00 C ATOM 877 O ASN A 62 -2.168 -2.625 -10.936 1.00 0.00 O ATOM 878 CB ASN A 62 -2.446 -1.097 -13.402 1.00 0.00 C ATOM 879 CG ASN A 62 -1.788 -2.070 -14.347 1.00 0.00 C ATOM 880 OD1 ASN A 62 -1.332 -3.108 -13.931 1.00 0.00 O ATOM 881 ND2 ASN A 62 -1.710 -1.779 -15.609 1.00 0.00 N ATOM 0 H ASN A 62 -3.744 -0.114 -11.257 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.283 -2.263 -13.324 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.811 -0.236 -13.962 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.708 -0.725 -12.691 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.262 -2.428 -16.255 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.097 -0.901 -15.955 1.00 0.00 H new ATOM 888 N GLU A 63 -3.814 -3.956 -11.672 1.00 0.00 N ATOM 889 CA GLU A 63 -3.437 -5.073 -10.747 1.00 0.00 C ATOM 890 C GLU A 63 -2.022 -5.563 -11.064 1.00 0.00 C ATOM 891 O GLU A 63 -1.282 -5.840 -10.136 1.00 0.00 O ATOM 892 CB GLU A 63 -4.428 -6.268 -10.878 1.00 0.00 C ATOM 893 CG GLU A 63 -4.535 -6.999 -9.466 1.00 0.00 C ATOM 894 CD GLU A 63 -4.796 -8.516 -9.569 1.00 0.00 C ATOM 895 OE1 GLU A 63 -4.531 -9.058 -10.627 1.00 0.00 O ATOM 896 OE2 GLU A 63 -5.234 -9.090 -8.586 1.00 0.00 O ATOM 0 H GLU A 63 -4.609 -4.147 -12.282 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.478 -4.690 -9.728 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.409 -5.913 -11.195 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.080 -6.966 -11.640 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.611 -6.836 -8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.338 -6.540 -8.889 1.00 0.00 H new ATOM 903 N ASP A 64 -1.688 -5.633 -12.330 1.00 0.00 N ATOM 904 CA ASP A 64 -0.322 -6.105 -12.718 1.00 0.00 C ATOM 905 C ASP A 64 0.744 -5.234 -12.047 1.00 0.00 C ATOM 906 O ASP A 64 1.690 -5.725 -11.468 1.00 0.00 O ATOM 907 CB ASP A 64 -0.128 -6.028 -14.254 1.00 0.00 C ATOM 908 CG ASP A 64 1.313 -6.433 -14.642 1.00 0.00 C ATOM 909 OD1 ASP A 64 1.987 -7.044 -13.826 1.00 0.00 O ATOM 910 OD2 ASP A 64 1.655 -6.108 -15.762 1.00 0.00 O ATOM 0 H ASP A 64 -2.299 -5.385 -13.108 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.220 -7.140 -12.393 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.842 -6.686 -14.750 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.333 -5.015 -14.601 1.00 0.00 H new ATOM 915 N ASN A 65 0.581 -3.945 -12.109 1.00 0.00 N ATOM 916 CA ASN A 65 1.597 -3.051 -11.474 1.00 0.00 C ATOM 917 C ASN A 65 1.506 -3.131 -9.951 1.00 0.00 C ATOM 918 O ASN A 65 2.510 -3.347 -9.295 1.00 0.00 O ATOM 919 CB ASN A 65 1.361 -1.618 -11.939 1.00 0.00 C ATOM 920 CG ASN A 65 1.779 -1.453 -13.403 1.00 0.00 C ATOM 921 OD1 ASN A 65 2.406 -2.297 -14.011 1.00 0.00 O ATOM 922 ND2 ASN A 65 1.466 -0.355 -14.018 1.00 0.00 N ATOM 0 H ASN A 65 -0.199 -3.472 -12.564 1.00 0.00 H new ATOM 0 HA ASN A 65 2.595 -3.374 -11.772 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.308 -1.361 -11.824 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.927 -0.928 -11.313 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.746 -0.217 -14.989 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.940 0.370 -13.531 1.00 0.00 H new ATOM 929 N ALA A 66 0.319 -2.964 -9.415 1.00 0.00 N ATOM 930 CA ALA A 66 0.145 -3.036 -7.922 1.00 0.00 C ATOM 931 C ALA A 66 0.836 -4.298 -7.357 1.00 0.00 C ATOM 932 O ALA A 66 1.579 -4.262 -6.388 1.00 0.00 O ATOM 933 CB ALA A 66 -1.329 -3.082 -7.603 1.00 0.00 C ATOM 0 H ALA A 66 -0.535 -2.782 -9.942 1.00 0.00 H new ATOM 0 HA ALA A 66 0.601 -2.157 -7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.466 -3.134 -6.523 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.813 -2.184 -7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.775 -3.961 -8.068 1.00 0.00 H new ATOM 939 N ARG A 67 0.566 -5.391 -8.005 1.00 0.00 N ATOM 940 CA ARG A 67 1.146 -6.691 -7.593 1.00 0.00 C ATOM 941 C ARG A 67 2.653 -6.718 -7.892 1.00 0.00 C ATOM 942 O ARG A 67 3.373 -7.446 -7.237 1.00 0.00 O ATOM 943 CB ARG A 67 0.328 -7.718 -8.376 1.00 0.00 C ATOM 944 CG ARG A 67 0.651 -9.153 -7.974 1.00 0.00 C ATOM 945 CD ARG A 67 -0.179 -10.070 -8.882 1.00 0.00 C ATOM 946 NE ARG A 67 -1.639 -9.839 -8.616 1.00 0.00 N ATOM 947 CZ ARG A 67 -2.444 -10.852 -8.553 1.00 0.00 C ATOM 948 NH1 ARG A 67 -2.409 -11.611 -7.499 1.00 0.00 N ATOM 949 NH2 ARG A 67 -3.226 -11.029 -9.568 1.00 0.00 N ATOM 0 H ARG A 67 -0.045 -5.438 -8.820 1.00 0.00 H new ATOM 0 HA ARG A 67 1.087 -6.895 -6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.734 -7.530 -8.216 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.517 -7.592 -9.442 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.716 -9.356 -8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.407 -9.324 -6.926 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.049 -9.868 -9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.076 -11.113 -8.696 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.994 -8.892 -8.486 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.757 -11.404 -6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.034 -12.414 -7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.187 -10.388 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.882 -11.810 -9.576 1.00 0.00 H new ATOM 963 N SER A 68 3.085 -5.927 -8.844 1.00 0.00 N ATOM 964 CA SER A 68 4.541 -5.899 -9.202 1.00 0.00 C ATOM 965 C SER A 68 5.380 -5.006 -8.287 1.00 0.00 C ATOM 966 O SER A 68 6.589 -4.984 -8.399 1.00 0.00 O ATOM 967 CB SER A 68 4.651 -5.460 -10.665 1.00 0.00 C ATOM 968 OG SER A 68 4.153 -6.625 -11.317 1.00 0.00 O ATOM 0 H SER A 68 2.494 -5.299 -9.389 1.00 0.00 H new ATOM 0 HA SER A 68 4.952 -6.899 -9.063 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.052 -4.575 -10.880 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.676 -5.228 -10.954 1.00 0.00 H new ATOM 0 HG SER A 68 3.301 -6.417 -11.753 1.00 0.00 H new ATOM 974 N ILE A 69 4.746 -4.302 -7.387 1.00 0.00 N ATOM 975 CA ILE A 69 5.495 -3.411 -6.436 1.00 0.00 C ATOM 976 C ILE A 69 6.157 -4.265 -5.316 1.00 0.00 C ATOM 977 O ILE A 69 7.358 -4.186 -5.136 1.00 0.00 O ATOM 978 CB ILE A 69 4.461 -2.384 -5.860 1.00 0.00 C ATOM 979 CG1 ILE A 69 4.063 -1.443 -7.004 1.00 0.00 C ATOM 980 CG2 ILE A 69 5.030 -1.624 -4.684 1.00 0.00 C ATOM 981 CD1 ILE A 69 2.844 -0.595 -6.616 1.00 0.00 C ATOM 0 H ILE A 69 3.733 -4.302 -7.265 1.00 0.00 H new ATOM 0 HA ILE A 69 6.302 -2.876 -6.937 1.00 0.00 H new ATOM 0 HB ILE A 69 3.582 -2.905 -5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.901 -0.791 -7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.837 -2.025 -7.897 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.285 -0.921 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.297 -2.325 -3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.919 -1.078 -5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.581 0.064 -7.443 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.002 -1.250 -6.392 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.082 0.004 -5.737 1.00 0.00 H new ATOM 993 N PRO A 70 5.391 -5.056 -4.590 1.00 0.00 N ATOM 994 CA PRO A 70 5.977 -5.888 -3.507 1.00 0.00 C ATOM 995 C PRO A 70 7.042 -6.927 -3.926 1.00 0.00 C ATOM 996 O PRO A 70 8.030 -7.019 -3.217 1.00 0.00 O ATOM 997 CB PRO A 70 4.737 -6.508 -2.801 1.00 0.00 C ATOM 998 CG PRO A 70 3.616 -6.491 -3.860 1.00 0.00 C ATOM 999 CD PRO A 70 3.903 -5.235 -4.698 1.00 0.00 C ATOM 0 HA PRO A 70 6.585 -5.270 -2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.944 -7.523 -2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.456 -5.930 -1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.635 -7.392 -4.474 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.631 -6.443 -3.396 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.591 -5.367 -5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.368 -4.367 -4.312 1.00 0.00 H new ATOM 1007 N PRO A 71 6.873 -7.667 -5.008 1.00 0.00 N ATOM 1008 CA PRO A 71 7.885 -8.677 -5.418 1.00 0.00 C ATOM 1009 C PRO A 71 9.237 -8.043 -5.759 1.00 0.00 C ATOM 1010 O PRO A 71 10.239 -8.401 -5.173 1.00 0.00 O ATOM 1011 CB PRO A 71 7.242 -9.415 -6.609 1.00 0.00 C ATOM 1012 CG PRO A 71 6.303 -8.356 -7.205 1.00 0.00 C ATOM 1013 CD PRO A 71 5.736 -7.656 -5.963 1.00 0.00 C ATOM 0 HA PRO A 71 8.126 -9.367 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.989 -9.744 -7.331 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.697 -10.303 -6.287 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.838 -7.660 -7.851 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.515 -8.809 -7.808 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.411 -6.640 -6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.871 -8.186 -5.563 1.00 0.00 H new ATOM 1021 N LYS A 72 9.235 -7.115 -6.683 1.00 0.00 N ATOM 1022 CA LYS A 72 10.512 -6.445 -7.083 1.00 0.00 C ATOM 1023 C LYS A 72 11.242 -5.828 -5.901 1.00 0.00 C ATOM 1024 O LYS A 72 12.452 -5.732 -5.892 1.00 0.00 O ATOM 1025 CB LYS A 72 10.201 -5.347 -8.125 1.00 0.00 C ATOM 1026 CG LYS A 72 9.319 -4.179 -7.597 1.00 0.00 C ATOM 1027 CD LYS A 72 10.202 -3.035 -6.994 1.00 0.00 C ATOM 1028 CE LYS A 72 9.299 -1.911 -6.449 1.00 0.00 C ATOM 1029 NZ LYS A 72 10.113 -0.717 -6.051 1.00 0.00 N ATOM 0 H LYS A 72 8.404 -6.792 -7.178 1.00 0.00 H new ATOM 0 HA LYS A 72 11.167 -7.207 -7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.142 -4.936 -8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.700 -5.806 -8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.710 -3.783 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.633 -4.552 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.829 -3.430 -6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.871 -2.638 -7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.571 -1.624 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.736 -2.275 -5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.658 0.148 -6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.179 -0.672 -5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.068 -0.797 -6.456 1.00 0.00 H new ATOM 1043 N CYS A 73 10.461 -5.413 -4.948 1.00 0.00 N ATOM 1044 CA CYS A 73 11.027 -4.779 -3.732 1.00 0.00 C ATOM 1045 C CYS A 73 11.610 -5.822 -2.767 1.00 0.00 C ATOM 1046 O CYS A 73 12.773 -5.743 -2.421 1.00 0.00 O ATOM 1047 CB CYS A 73 9.868 -4.010 -3.196 1.00 0.00 C ATOM 1048 SG CYS A 73 10.183 -2.650 -2.062 1.00 0.00 S ATOM 0 H CYS A 73 9.444 -5.487 -4.961 1.00 0.00 H new ATOM 0 HA CYS A 73 11.883 -4.130 -3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.315 -3.610 -4.046 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.209 -4.716 -2.691 1.00 0.00 H new ATOM 1053 N GLY A 74 10.800 -6.759 -2.343 1.00 0.00 N ATOM 1054 CA GLY A 74 11.294 -7.817 -1.401 1.00 0.00 C ATOM 1055 C GLY A 74 10.687 -7.684 -0.007 1.00 0.00 C ATOM 1056 O GLY A 74 11.239 -8.201 0.947 1.00 0.00 O ATOM 0 H GLY A 74 9.818 -6.840 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.055 -8.800 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.380 -7.757 -1.329 1.00 0.00 H new ATOM 1060 N VAL A 75 9.573 -7.001 0.081 1.00 0.00 N ATOM 1061 CA VAL A 75 8.894 -6.811 1.394 1.00 0.00 C ATOM 1062 C VAL A 75 7.573 -7.554 1.440 1.00 0.00 C ATOM 1063 O VAL A 75 7.157 -7.946 2.508 1.00 0.00 O ATOM 1064 CB VAL A 75 8.688 -5.292 1.603 1.00 0.00 C ATOM 1065 CG1 VAL A 75 10.039 -4.638 1.773 1.00 0.00 C ATOM 1066 CG2 VAL A 75 7.993 -4.636 0.433 1.00 0.00 C ATOM 0 H VAL A 75 9.102 -6.563 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 75 9.509 -7.219 2.196 1.00 0.00 H new ATOM 0 HB VAL A 75 8.060 -5.165 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.908 -3.566 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.544 -5.065 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.641 -4.810 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.873 -3.571 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.591 -4.772 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.013 -5.091 0.291 1.00 0.00 H new ATOM 1076 N ASN A 76 6.958 -7.728 0.300 1.00 0.00 N ATOM 1077 CA ASN A 76 5.650 -8.455 0.254 1.00 0.00 C ATOM 1078 C ASN A 76 4.558 -7.808 1.128 1.00 0.00 C ATOM 1079 O ASN A 76 4.457 -8.096 2.303 1.00 0.00 O ATOM 1080 CB ASN A 76 5.874 -9.881 0.731 1.00 0.00 C ATOM 1081 CG ASN A 76 4.607 -10.649 0.383 1.00 0.00 C ATOM 1082 OD1 ASN A 76 4.431 -11.112 -0.725 1.00 0.00 O ATOM 1083 ND2 ASN A 76 3.700 -10.788 1.299 1.00 0.00 N ATOM 0 H ASN A 76 7.303 -7.399 -0.602 1.00 0.00 H new ATOM 0 HA ASN A 76 5.297 -8.418 -0.777 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.743 -10.323 0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.063 -9.907 1.804 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.836 -11.288 1.089 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.851 -10.398 2.229 1.00 0.00 H new ATOM 1090 N LEU A 77 3.732 -6.967 0.567 1.00 0.00 N ATOM 1091 CA LEU A 77 2.666 -6.321 1.409 1.00 0.00 C ATOM 1092 C LEU A 77 1.370 -7.128 1.295 1.00 0.00 C ATOM 1093 O LEU A 77 1.141 -7.741 0.267 1.00 0.00 O ATOM 1094 CB LEU A 77 2.370 -4.858 0.920 1.00 0.00 C ATOM 1095 CG LEU A 77 2.820 -3.816 1.972 1.00 0.00 C ATOM 1096 CD1 LEU A 77 4.322 -3.813 2.107 1.00 0.00 C ATOM 1097 CD2 LEU A 77 2.354 -2.424 1.613 1.00 0.00 C ATOM 0 H LEU A 77 3.741 -6.699 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 77 3.021 -6.294 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.887 -4.675 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.303 -4.745 0.725 1.00 0.00 H new ATOM 0 HG LEU A 77 2.365 -4.102 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.619 -3.074 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.661 -4.800 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.773 -3.563 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.689 -1.720 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.771 -2.139 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.266 -2.408 1.558 1.00 0.00 H new ATOM 1109 N PRO A 78 0.556 -7.101 2.330 1.00 0.00 N ATOM 1110 CA PRO A 78 -0.750 -7.775 2.282 1.00 0.00 C ATOM 1111 C PRO A 78 -1.827 -6.840 1.700 1.00 0.00 C ATOM 1112 O PRO A 78 -2.987 -7.200 1.680 1.00 0.00 O ATOM 1113 CB PRO A 78 -0.963 -8.198 3.736 1.00 0.00 C ATOM 1114 CG PRO A 78 -0.297 -7.073 4.572 1.00 0.00 C ATOM 1115 CD PRO A 78 0.805 -6.460 3.655 1.00 0.00 C ATOM 0 HA PRO A 78 -0.804 -8.638 1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.023 -8.291 3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.505 -9.166 3.938 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.027 -6.318 4.864 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.135 -7.471 5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.721 -5.375 3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.805 -6.683 4.026 1.00 0.00 H new ATOM 1123 N TYR A 79 -1.433 -5.670 1.240 1.00 0.00 N ATOM 1124 CA TYR A 79 -2.430 -4.709 0.654 1.00 0.00 C ATOM 1125 C TYR A 79 -1.682 -3.622 -0.118 1.00 0.00 C ATOM 1126 O TYR A 79 -0.587 -3.277 0.269 1.00 0.00 O ATOM 1127 CB TYR A 79 -3.284 -4.043 1.790 1.00 0.00 C ATOM 1128 CG TYR A 79 -2.432 -3.181 2.743 1.00 0.00 C ATOM 1129 CD1 TYR A 79 -1.614 -3.789 3.662 1.00 0.00 C ATOM 1130 CD2 TYR A 79 -2.467 -1.799 2.699 1.00 0.00 C ATOM 1131 CE1 TYR A 79 -0.840 -3.047 4.532 1.00 0.00 C ATOM 1132 CE2 TYR A 79 -1.690 -1.060 3.572 1.00 0.00 C ATOM 1133 CZ TYR A 79 -0.879 -1.671 4.484 1.00 0.00 C ATOM 1134 OH TYR A 79 -0.118 -0.877 5.318 1.00 0.00 O ATOM 0 H TYR A 79 -0.468 -5.341 1.245 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.097 -5.254 -0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.060 -3.423 1.341 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.789 -4.820 2.363 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.575 -4.867 3.706 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.101 -1.297 1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.205 -3.545 5.249 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.725 0.019 3.532 1.00 0.00 H new ATOM 0 HH TYR A 79 0.097 -0.036 4.863 1.00 0.00 H new ATOM 1144 N THR A 80 -2.257 -3.120 -1.178 1.00 0.00 N ATOM 1145 CA THR A 80 -1.596 -2.049 -1.995 1.00 0.00 C ATOM 1146 C THR A 80 -2.699 -1.280 -2.745 1.00 0.00 C ATOM 1147 O THR A 80 -3.852 -1.326 -2.355 1.00 0.00 O ATOM 1148 CB THR A 80 -0.576 -2.741 -2.976 1.00 0.00 C ATOM 1149 OG1 THR A 80 -0.045 -1.729 -3.838 1.00 0.00 O ATOM 1150 CG2 THR A 80 -1.271 -3.708 -3.902 1.00 0.00 C ATOM 0 H THR A 80 -3.173 -3.409 -1.522 1.00 0.00 H new ATOM 0 HA THR A 80 -1.042 -1.339 -1.381 1.00 0.00 H new ATOM 0 HB THR A 80 0.173 -3.254 -2.373 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.596 -2.132 -4.460 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.538 -4.167 -4.565 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.765 -4.482 -3.315 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.013 -3.174 -4.496 1.00 0.00 H new ATOM 1158 N ILE A 81 -2.330 -0.619 -3.811 1.00 0.00 N ATOM 1159 CA ILE A 81 -3.342 0.150 -4.574 1.00 0.00 C ATOM 1160 C ILE A 81 -4.106 -0.829 -5.483 1.00 0.00 C ATOM 1161 O ILE A 81 -3.966 -0.804 -6.689 1.00 0.00 O ATOM 1162 CB ILE A 81 -2.611 1.275 -5.389 1.00 0.00 C ATOM 1163 CG1 ILE A 81 -1.753 2.207 -4.487 1.00 0.00 C ATOM 1164 CG2 ILE A 81 -3.630 2.173 -6.048 1.00 0.00 C ATOM 1165 CD1 ILE A 81 -0.409 1.594 -3.995 1.00 0.00 C ATOM 0 H ILE A 81 -1.380 -0.581 -4.179 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.063 0.635 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 81 -1.974 0.758 -6.106 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.537 3.122 -5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.345 2.491 -3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.118 2.952 -6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.251 1.584 -6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.258 2.632 -5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.116 2.320 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.611 0.696 -3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.210 1.337 -4.855 1.00 0.00 H new ATOM 1177 N SER A 82 -4.885 -1.684 -4.867 1.00 0.00 N ATOM 1178 CA SER A 82 -5.695 -2.696 -5.616 1.00 0.00 C ATOM 1179 C SER A 82 -6.975 -3.013 -4.820 1.00 0.00 C ATOM 1180 O SER A 82 -7.250 -2.377 -3.817 1.00 0.00 O ATOM 1181 CB SER A 82 -4.821 -3.969 -5.814 1.00 0.00 C ATOM 1182 OG SER A 82 -5.592 -4.859 -6.623 1.00 0.00 O ATOM 0 H SER A 82 -4.996 -1.724 -3.854 1.00 0.00 H new ATOM 0 HA SER A 82 -5.993 -2.315 -6.593 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.877 -3.721 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.577 -4.427 -4.855 1.00 0.00 H new ATOM 0 HG SER A 82 -5.083 -5.682 -6.780 1.00 0.00 H new ATOM 1188 N LEU A 83 -7.708 -3.986 -5.292 1.00 0.00 N ATOM 1189 CA LEU A 83 -8.989 -4.411 -4.631 1.00 0.00 C ATOM 1190 C LEU A 83 -9.130 -5.941 -4.623 1.00 0.00 C ATOM 1191 O LEU A 83 -10.195 -6.453 -4.908 1.00 0.00 O ATOM 1192 CB LEU A 83 -10.178 -3.804 -5.408 1.00 0.00 C ATOM 1193 CG LEU A 83 -10.230 -2.259 -5.291 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -11.274 -1.733 -6.249 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -10.629 -1.876 -3.886 1.00 0.00 C ATOM 0 H LEU A 83 -7.471 -4.520 -6.128 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.979 -4.059 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.104 -4.084 -6.459 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.109 -4.226 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.252 -1.840 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.320 -0.646 -6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.009 -2.017 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -12.246 -2.155 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.666 -0.790 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.611 -2.291 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.898 -2.270 -3.180 1.00 0.00 H new ATOM 1207 N ASN A 84 -8.081 -6.645 -4.296 1.00 0.00 N ATOM 1208 CA ASN A 84 -8.183 -8.143 -4.287 1.00 0.00 C ATOM 1209 C ASN A 84 -7.506 -8.758 -3.054 1.00 0.00 C ATOM 1210 O ASN A 84 -6.988 -9.855 -3.112 1.00 0.00 O ATOM 1211 CB ASN A 84 -7.556 -8.596 -5.640 1.00 0.00 C ATOM 1212 CG ASN A 84 -7.677 -10.094 -5.916 1.00 0.00 C ATOM 1213 OD1 ASN A 84 -8.458 -10.817 -5.334 1.00 0.00 O ATOM 1214 ND2 ASN A 84 -6.910 -10.605 -6.830 1.00 0.00 N ATOM 0 H ASN A 84 -7.171 -6.263 -4.038 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.213 -8.489 -4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.036 -8.049 -6.451 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.502 -8.320 -5.649 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.970 -11.599 -7.049 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.247 -10.012 -7.330 1.00 0.00 H new ATOM 1221 N ILE A 85 -7.513 -8.035 -1.964 1.00 0.00 N ATOM 1222 CA ILE A 85 -6.884 -8.544 -0.701 1.00 0.00 C ATOM 1223 C ILE A 85 -7.651 -8.021 0.517 1.00 0.00 C ATOM 1224 O ILE A 85 -8.580 -7.256 0.330 1.00 0.00 O ATOM 1225 CB ILE A 85 -5.382 -8.083 -0.655 1.00 0.00 C ATOM 1226 CG1 ILE A 85 -5.197 -6.580 -1.027 1.00 0.00 C ATOM 1227 CG2 ILE A 85 -4.541 -8.936 -1.573 1.00 0.00 C ATOM 1228 CD1 ILE A 85 -5.716 -5.646 0.100 1.00 0.00 C ATOM 0 H ILE A 85 -7.930 -7.107 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.924 -9.633 -0.682 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.053 -8.207 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.142 -6.377 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.730 -6.365 -1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.504 -8.604 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.602 -9.978 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.909 -8.843 -2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.571 -4.606 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.777 -5.832 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.165 -5.844 1.019 1.00 0.00 H new ATOM 1240 N ASP A 86 -7.252 -8.437 1.693 1.00 0.00 N ATOM 1241 CA ASP A 86 -7.930 -7.972 2.935 1.00 0.00 C ATOM 1242 C ASP A 86 -6.903 -7.992 4.070 1.00 0.00 C ATOM 1243 O ASP A 86 -6.337 -9.018 4.394 1.00 0.00 O ATOM 1244 CB ASP A 86 -9.115 -8.883 3.346 1.00 0.00 C ATOM 1245 CG ASP A 86 -9.928 -8.056 4.369 1.00 0.00 C ATOM 1246 OD1 ASP A 86 -9.338 -7.681 5.374 1.00 0.00 O ATOM 1247 OD2 ASP A 86 -11.093 -7.830 4.093 1.00 0.00 O ATOM 0 H ASP A 86 -6.478 -9.085 1.844 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.325 -6.974 2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.724 -9.150 2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.761 -9.815 3.786 1.00 0.00 H new ATOM 1252 N CYS A 87 -6.661 -6.849 4.636 1.00 0.00 N ATOM 1253 CA CYS A 87 -5.690 -6.725 5.755 1.00 0.00 C ATOM 1254 C CYS A 87 -6.173 -7.442 7.028 1.00 0.00 C ATOM 1255 O CYS A 87 -5.385 -8.077 7.711 1.00 0.00 O ATOM 1256 CB CYS A 87 -5.509 -5.230 6.014 1.00 0.00 C ATOM 1257 SG CYS A 87 -4.669 -4.248 4.752 1.00 0.00 S ATOM 0 H CYS A 87 -7.106 -5.972 4.364 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.748 -7.201 5.484 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.496 -4.796 6.173 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -4.958 -5.117 6.947 1.00 0.00 H new ATOM 1262 N SER A 88 -7.437 -7.289 7.326 1.00 0.00 N ATOM 1263 CA SER A 88 -8.067 -7.913 8.541 1.00 0.00 C ATOM 1264 C SER A 88 -9.420 -7.271 8.800 1.00 0.00 C ATOM 1265 O SER A 88 -10.407 -7.961 8.960 1.00 0.00 O ATOM 1266 CB SER A 88 -7.166 -7.702 9.815 1.00 0.00 C ATOM 1267 OG SER A 88 -7.895 -7.932 11.028 1.00 0.00 O ATOM 0 H SER A 88 -8.084 -6.739 6.761 1.00 0.00 H new ATOM 0 HA SER A 88 -8.178 -8.981 8.352 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.311 -8.377 9.771 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.770 -6.686 9.816 1.00 0.00 H new ATOM 0 HG SER A 88 -8.149 -7.073 11.425 1.00 0.00 H new ATOM 1273 N ARG A 89 -9.435 -5.963 8.857 1.00 0.00 N ATOM 1274 CA ARG A 89 -10.723 -5.249 9.111 1.00 0.00 C ATOM 1275 C ARG A 89 -10.525 -3.795 8.658 1.00 0.00 C ATOM 1276 O ARG A 89 -10.941 -2.901 9.365 1.00 0.00 O ATOM 1277 CB ARG A 89 -11.023 -5.360 10.640 1.00 0.00 C ATOM 1278 CG ARG A 89 -12.529 -5.237 10.951 1.00 0.00 C ATOM 1279 CD ARG A 89 -12.677 -5.394 12.480 1.00 0.00 C ATOM 1280 NE ARG A 89 -14.120 -5.590 12.803 1.00 0.00 N ATOM 1281 CZ ARG A 89 -14.494 -6.703 13.350 1.00 0.00 C ATOM 1282 NH1 ARG A 89 -14.659 -7.715 12.554 1.00 0.00 N ATOM 1283 NH2 ARG A 89 -14.667 -6.729 14.635 1.00 0.00 N ATOM 0 H ARG A 89 -8.618 -5.363 8.740 1.00 0.00 H new ATOM 0 HA ARG A 89 -11.568 -5.670 8.567 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.654 -6.316 11.012 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.479 -4.580 11.172 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.915 -4.273 10.621 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.097 -6.005 10.426 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.092 -6.244 12.831 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.292 -4.511 12.990 1.00 0.00 H new ATOM 0 HE ARG A 89 -14.801 -4.859 12.596 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.495 -7.609 11.553 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.953 -8.617 12.930 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.509 -5.887 15.188 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.961 -7.592 15.093 1.00 0.00 H new ATOM 1297 N VAL A 90 -9.876 -3.626 7.539 1.00 0.00 N ATOM 1298 CA VAL A 90 -9.624 -2.265 7.000 1.00 0.00 C ATOM 1299 C VAL A 90 -10.947 -1.771 6.343 1.00 0.00 C ATOM 1300 O VAL A 90 -11.238 -0.619 6.614 1.00 0.00 O ATOM 1301 CB VAL A 90 -8.436 -2.360 5.952 1.00 0.00 C ATOM 1302 CG1 VAL A 90 -8.607 -3.493 4.965 1.00 0.00 C ATOM 1303 CG2 VAL A 90 -8.383 -1.067 5.175 1.00 0.00 C ATOM 1304 OXT VAL A 90 -11.591 -2.524 5.621 1.00 0.00 O ATOM 0 H VAL A 90 -9.505 -4.386 6.969 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.333 -1.555 7.774 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.520 -2.545 6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.763 -3.505 4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.650 -4.440 5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.531 -3.351 4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.572 -1.112 4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.329 -0.916 4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.210 -0.237 5.861 1.00 0.00 H new TER 1314 VAL A 90