USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 649 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 69 CYS SG : rot 160:sc= 0.795 USER MOD Set 1.2: A 72 CYS SG : rot -37:sc= 0.125 USER MOD Set 1.3: A 91 HIS : no HE2:sc= -0.511 K(o=0.31,f=-5.8!) USER MOD Set 1.4: A 94 CYS SG : rot 180:sc= -0.104 USER MOD Set 2.1: A 36 CYS SG : rot 153:sc= -0.257 USER MOD Set 2.2: A 38 LYS NZ :NH3+ -111:sc= 1.22 (180deg=-1.16) USER MOD Set 2.3: A 39 CYS SG : rot -57:sc= 1.2 USER MOD Set 2.4: A 57 CYS SG : rot -128:sc= 0.284 USER MOD Set 2.5: A 60 CYS SG : rot 144:sc= -0.193 USER MOD Set 3.1: A 8 CYS SG : rot 151:sc= 0.928 USER MOD Set 3.2: A 11 CYS SG : rot -50:sc= -0.92 USER MOD Set 3.3: A 30 HIS : no HE2:sc= -1.81! C(o=-2.4!,f=-7.8!) USER MOD Set 3.4: A 33 CYS SG : rot 180:sc= -0.599 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -66:sc= 1.21 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -1 K(o=-1,f=-0.35) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -115:sc= -1.8! (180deg=-4.97!) USER MOD Single : A 26 ASN : amide:sc=-0.00706 X(o=-0.0071,f=-0.35) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -1.77 X(o=-1.8,f=-2.2!) USER MOD Single : A 45 ASN : amide:sc= -0.424 K(o=-0.42,f=-2.1!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.589 X(o=-0.59,f=-0.59) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.657 X(o=-0.66,f=-0.88) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0348 (180deg=-0.285) USER MOD Single : A 61 THR OG1 : rot -12:sc= -0.63 USER MOD Single : A 68 LYS NZ :NH3+ -142:sc= 0.0594 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.88! C(o=-1.9!,f=-2.9!) USER MOD Single : A 82 ASN : amide:sc= -1.02 K(o=-1,f=-0.082) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -147:sc= -0.469 (180deg=-1.85) USER MOD Single : A 88 THR OG1 : rot 29:sc= 0.228 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.691 17.701 -12.599 1.00 0.00 N ATOM 60 CA GLY A 7 -5.261 17.085 -11.415 1.00 0.00 C ATOM 61 C GLY A 7 -4.959 15.602 -11.331 1.00 0.00 C ATOM 62 O GLY A 7 -4.326 15.038 -12.223 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.872 17.583 -10.527 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.341 17.233 -11.416 1.00 0.00 H new ATOM 66 N CYS A 8 -5.412 14.968 -10.254 1.00 0.00 N ATOM 67 CA CYS A 8 -5.186 13.542 -10.054 1.00 0.00 C ATOM 68 C CYS A 8 -6.420 12.735 -10.448 1.00 0.00 C ATOM 69 O CYS A 8 -7.552 13.176 -10.253 1.00 0.00 O ATOM 70 CB CYS A 8 -4.824 13.261 -8.594 1.00 0.00 C ATOM 71 SG CYS A 8 -4.159 11.591 -8.301 1.00 0.00 S ATOM 0 H CYS A 8 -5.938 15.420 -9.506 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.356 13.238 -10.692 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.089 13.996 -8.265 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.712 13.400 -7.977 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.340 11.621 -7.292 1.00 0.00 H new ATOM 76 N VAL A 9 -6.192 11.550 -11.005 1.00 0.00 N ATOM 77 CA VAL A 9 -7.283 10.680 -11.426 1.00 0.00 C ATOM 78 C VAL A 9 -7.647 9.685 -10.329 1.00 0.00 C ATOM 79 O VAL A 9 -8.656 8.986 -10.422 1.00 0.00 O ATOM 80 CB VAL A 9 -6.922 9.906 -12.707 1.00 0.00 C ATOM 81 CG1 VAL A 9 -6.454 10.862 -13.795 1.00 0.00 C ATOM 82 CG2 VAL A 9 -5.860 8.857 -12.415 1.00 0.00 C ATOM 0 H VAL A 9 -5.261 11.170 -11.175 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.140 11.323 -11.629 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.816 9.395 -13.065 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.203 10.297 -14.693 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.250 11.571 -14.023 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.573 11.404 -13.449 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.617 8.320 -13.332 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.963 9.344 -12.032 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.237 8.154 -11.672 1.00 0.00 H new ATOM 92 N GLU A 10 -6.818 9.626 -9.292 1.00 0.00 N ATOM 93 CA GLU A 10 -7.052 8.716 -8.178 1.00 0.00 C ATOM 94 C GLU A 10 -7.841 9.405 -7.068 1.00 0.00 C ATOM 95 O GLU A 10 -8.887 8.917 -6.638 1.00 0.00 O ATOM 96 CB GLU A 10 -5.723 8.196 -7.626 1.00 0.00 C ATOM 97 CG GLU A 10 -5.816 6.802 -7.029 1.00 0.00 C ATOM 98 CD GLU A 10 -6.575 6.779 -5.716 1.00 0.00 C ATOM 99 OE1 GLU A 10 -7.822 6.758 -5.751 1.00 0.00 O ATOM 100 OE2 GLU A 10 -5.919 6.783 -4.653 1.00 0.00 O ATOM 0 H GLU A 10 -5.978 10.198 -9.200 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.638 7.874 -8.548 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.984 8.191 -8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.361 8.885 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.308 6.138 -7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.811 6.411 -6.870 1.00 0.00 H new ATOM 107 N CYS A 11 -7.332 10.544 -6.608 1.00 0.00 N ATOM 108 CA CYS A 11 -7.986 11.301 -5.548 1.00 0.00 C ATOM 109 C CYS A 11 -8.753 12.489 -6.123 1.00 0.00 C ATOM 110 O CYS A 11 -9.103 13.423 -5.401 1.00 0.00 O ATOM 111 CB CYS A 11 -6.954 11.791 -4.531 1.00 0.00 C ATOM 112 SG CYS A 11 -5.599 12.767 -5.258 1.00 0.00 S ATOM 0 H CYS A 11 -6.468 10.962 -6.953 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.694 10.641 -5.047 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.460 12.396 -3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.531 10.929 -4.015 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.096 12.124 -6.270 1.00 0.00 H new ATOM 117 N ARG A 12 -9.011 12.445 -7.426 1.00 0.00 N ATOM 118 CA ARG A 12 -9.736 13.518 -8.097 1.00 0.00 C ATOM 119 C ARG A 12 -9.453 14.863 -7.435 1.00 0.00 C ATOM 120 O ARG A 12 -10.335 15.716 -7.335 1.00 0.00 O ATOM 121 CB ARG A 12 -11.239 13.235 -8.080 1.00 0.00 C ATOM 122 CG ARG A 12 -11.757 12.776 -6.727 1.00 0.00 C ATOM 123 CD ARG A 12 -12.052 13.956 -5.814 1.00 0.00 C ATOM 124 NE ARG A 12 -13.137 13.668 -4.880 1.00 0.00 N ATOM 125 CZ ARG A 12 -14.423 13.742 -5.202 1.00 0.00 C ATOM 126 NH1 ARG A 12 -14.783 14.092 -6.429 1.00 0.00 N ATOM 127 NH2 ARG A 12 -15.352 13.464 -4.296 1.00 0.00 N ATOM 0 H ARG A 12 -8.729 11.679 -8.038 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.393 13.563 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.773 14.137 -8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.465 12.471 -8.824 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.663 12.185 -6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.020 12.125 -6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.153 14.216 -5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.315 14.825 -6.418 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.894 13.395 -3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.071 14.305 -7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.772 14.148 -6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.078 13.193 -3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.340 13.521 -4.544 1.00 0.00 H new ATOM 141 N LYS A 13 -8.216 15.046 -6.984 1.00 0.00 N ATOM 142 CA LYS A 13 -7.815 16.287 -6.332 1.00 0.00 C ATOM 143 C LYS A 13 -6.771 17.025 -7.163 1.00 0.00 C ATOM 144 O LYS A 13 -6.090 16.443 -8.008 1.00 0.00 O ATOM 145 CB LYS A 13 -7.259 15.997 -4.936 1.00 0.00 C ATOM 146 CG LYS A 13 -8.334 15.832 -3.875 1.00 0.00 C ATOM 147 CD LYS A 13 -7.874 16.365 -2.529 1.00 0.00 C ATOM 148 CE LYS A 13 -8.537 15.622 -1.379 1.00 0.00 C ATOM 149 NZ LYS A 13 -7.817 15.832 -0.093 1.00 0.00 N ATOM 0 H LYS A 13 -7.474 14.350 -7.058 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.696 16.922 -6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.657 15.089 -4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.593 16.809 -4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.237 16.357 -4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.595 14.778 -3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.791 16.269 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.106 17.428 -2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.569 15.958 -1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.570 14.557 -1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.300 15.309 0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.840 15.488 -0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.807 16.846 0.138 1.00 0.00 H new ATOM 163 N PRO A 14 -6.639 18.337 -6.919 1.00 0.00 N ATOM 164 CA PRO A 14 -5.677 19.183 -7.634 1.00 0.00 C ATOM 165 C PRO A 14 -4.234 18.867 -7.255 1.00 0.00 C ATOM 166 O PRO A 14 -3.934 18.591 -6.093 1.00 0.00 O ATOM 167 CB PRO A 14 -6.050 20.599 -7.188 1.00 0.00 C ATOM 168 CG PRO A 14 -6.702 20.418 -5.861 1.00 0.00 C ATOM 169 CD PRO A 14 -7.417 19.097 -5.926 1.00 0.00 C ATOM 0 HA PRO A 14 -5.726 19.035 -8.713 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.168 21.236 -7.113 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.726 21.073 -7.900 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.963 20.422 -5.060 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.400 21.230 -5.656 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.428 18.598 -4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.455 19.217 -6.235 1.00 0.00 H new ATOM 177 N ILE A 15 -3.346 18.911 -8.242 1.00 0.00 N ATOM 178 CA ILE A 15 -1.934 18.631 -8.011 1.00 0.00 C ATOM 179 C ILE A 15 -1.105 19.910 -8.061 1.00 0.00 C ATOM 180 O ILE A 15 -1.389 20.817 -8.842 1.00 0.00 O ATOM 181 CB ILE A 15 -1.381 17.634 -9.045 1.00 0.00 C ATOM 182 CG1 ILE A 15 -2.210 16.348 -9.040 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.082 17.329 -8.758 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.820 15.373 -10.129 1.00 0.00 C ATOM 0 H ILE A 15 -3.579 19.138 -9.209 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.858 18.190 -7.017 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.450 18.085 -10.035 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.103 15.860 -8.071 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.263 16.604 -9.153 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.458 16.623 -9.498 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.662 18.250 -8.808 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.175 16.895 -7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.449 14.485 -10.065 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.954 15.843 -11.103 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.775 15.087 -10.005 1.00 0.00 H new ATOM 196 N GLY A 16 -0.076 19.975 -7.221 1.00 0.00 N ATOM 197 CA GLY A 16 0.781 21.146 -7.187 1.00 0.00 C ATOM 198 C GLY A 16 2.048 20.962 -7.997 1.00 0.00 C ATOM 199 O GLY A 16 2.445 19.835 -8.293 1.00 0.00 O ATOM 0 H GLY A 16 0.179 19.238 -6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.231 22.006 -7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.044 21.370 -6.153 1.00 0.00 H new ATOM 203 N ALA A 17 2.684 22.071 -8.359 1.00 0.00 N ATOM 204 CA ALA A 17 3.914 22.027 -9.140 1.00 0.00 C ATOM 205 C ALA A 17 5.065 21.452 -8.320 1.00 0.00 C ATOM 206 O ALA A 17 5.872 20.674 -8.827 1.00 0.00 O ATOM 207 CB ALA A 17 4.268 23.417 -9.648 1.00 0.00 C ATOM 0 H ALA A 17 2.368 23.012 -8.124 1.00 0.00 H new ATOM 0 HA ALA A 17 3.748 21.372 -9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.189 23.368 -10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.461 23.791 -10.278 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.409 24.089 -8.801 1.00 0.00 H new ATOM 213 N ASP A 18 5.133 21.842 -7.052 1.00 0.00 N ATOM 214 CA ASP A 18 6.185 21.365 -6.162 1.00 0.00 C ATOM 215 C ASP A 18 5.996 19.886 -5.839 1.00 0.00 C ATOM 216 O ASP A 18 6.963 19.164 -5.599 1.00 0.00 O ATOM 217 CB ASP A 18 6.199 22.184 -4.870 1.00 0.00 C ATOM 218 CG ASP A 18 6.947 21.486 -3.750 1.00 0.00 C ATOM 219 OD1 ASP A 18 6.524 20.380 -3.354 1.00 0.00 O ATOM 220 OD2 ASP A 18 7.955 22.046 -3.272 1.00 0.00 O ATOM 0 H ASP A 18 4.473 22.487 -6.618 1.00 0.00 H new ATOM 0 HA ASP A 18 7.141 21.487 -6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.660 23.153 -5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.174 22.376 -4.554 1.00 0.00 H new ATOM 225 N SER A 19 4.742 19.443 -5.835 1.00 0.00 N ATOM 226 CA SER A 19 4.425 18.051 -5.537 1.00 0.00 C ATOM 227 C SER A 19 4.866 17.137 -6.676 1.00 0.00 C ATOM 228 O SER A 19 4.609 17.417 -7.848 1.00 0.00 O ATOM 229 CB SER A 19 2.924 17.889 -5.290 1.00 0.00 C ATOM 230 OG SER A 19 2.212 17.813 -6.513 1.00 0.00 O ATOM 0 H SER A 19 3.930 20.027 -6.035 1.00 0.00 H new ATOM 0 HA SER A 19 4.967 17.766 -4.635 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.744 16.988 -4.704 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.556 18.730 -4.703 1.00 0.00 H new ATOM 0 HG SER A 19 2.278 18.670 -6.984 1.00 0.00 H new ATOM 236 N LYS A 20 5.533 16.043 -6.325 1.00 0.00 N ATOM 237 CA LYS A 20 6.010 15.086 -7.316 1.00 0.00 C ATOM 238 C LYS A 20 4.842 14.433 -8.048 1.00 0.00 C ATOM 239 O LYS A 20 4.168 13.559 -7.505 1.00 0.00 O ATOM 240 CB LYS A 20 6.869 14.012 -6.645 1.00 0.00 C ATOM 241 CG LYS A 20 8.343 14.371 -6.570 1.00 0.00 C ATOM 242 CD LYS A 20 8.618 15.372 -5.461 1.00 0.00 C ATOM 243 CE LYS A 20 8.465 16.803 -5.951 1.00 0.00 C ATOM 244 NZ LYS A 20 9.669 17.268 -6.693 1.00 0.00 N ATOM 0 H LYS A 20 5.756 15.797 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 20 6.616 15.626 -8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.495 13.837 -5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.759 13.076 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.930 13.468 -6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.666 14.786 -7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.933 15.195 -4.632 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.628 15.224 -5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.590 16.874 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.286 17.461 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.524 18.248 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.500 17.225 -6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.825 16.656 -7.519 1.00 0.00 H new ATOM 258 N GLU A 21 4.610 14.863 -9.284 1.00 0.00 N ATOM 259 CA GLU A 21 3.524 14.319 -10.090 1.00 0.00 C ATOM 260 C GLU A 21 4.062 13.384 -11.169 1.00 0.00 C ATOM 261 O GLU A 21 5.172 13.569 -11.670 1.00 0.00 O ATOM 262 CB GLU A 21 2.721 15.451 -10.736 1.00 0.00 C ATOM 263 CG GLU A 21 3.530 16.294 -11.708 1.00 0.00 C ATOM 264 CD GLU A 21 2.909 17.654 -11.957 1.00 0.00 C ATOM 265 OE1 GLU A 21 1.664 17.747 -11.951 1.00 0.00 O ATOM 266 OE2 GLU A 21 3.668 18.625 -12.158 1.00 0.00 O ATOM 0 H GLU A 21 5.159 15.586 -9.749 1.00 0.00 H new ATOM 0 HA GLU A 21 2.869 13.748 -9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.867 15.025 -11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.324 16.096 -9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.539 16.426 -11.317 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.622 15.762 -12.655 1.00 0.00 H new ATOM 273 N VAL A 22 3.268 12.378 -11.522 1.00 0.00 N ATOM 274 CA VAL A 22 3.663 11.413 -12.542 1.00 0.00 C ATOM 275 C VAL A 22 2.723 11.464 -13.740 1.00 0.00 C ATOM 276 O VAL A 22 1.586 10.994 -13.672 1.00 0.00 O ATOM 277 CB VAL A 22 3.684 9.980 -11.979 1.00 0.00 C ATOM 278 CG1 VAL A 22 4.109 8.991 -13.054 1.00 0.00 C ATOM 279 CG2 VAL A 22 4.605 9.895 -10.771 1.00 0.00 C ATOM 0 H VAL A 22 2.347 12.210 -11.117 1.00 0.00 H new ATOM 0 HA VAL A 22 4.669 11.684 -12.863 1.00 0.00 H new ATOM 0 HB VAL A 22 2.676 9.720 -11.657 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.118 7.983 -12.638 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.406 9.034 -13.886 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.108 9.246 -13.409 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.607 8.875 -10.386 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.617 10.174 -11.065 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.252 10.574 -9.995 1.00 0.00 H new ATOM 289 N HIS A 23 3.203 12.037 -14.839 1.00 0.00 N ATOM 290 CA HIS A 23 2.405 12.147 -16.055 1.00 0.00 C ATOM 291 C HIS A 23 2.630 10.943 -16.964 1.00 0.00 C ATOM 292 O HIS A 23 3.730 10.737 -17.478 1.00 0.00 O ATOM 293 CB HIS A 23 2.752 13.436 -16.802 1.00 0.00 C ATOM 294 CG HIS A 23 2.183 13.498 -18.186 1.00 0.00 C ATOM 295 ND1 HIS A 23 2.706 14.297 -19.180 1.00 0.00 N ATOM 296 CD2 HIS A 23 1.131 12.851 -18.740 1.00 0.00 C ATOM 297 CE1 HIS A 23 1.999 14.142 -20.285 1.00 0.00 C ATOM 298 NE2 HIS A 23 1.038 13.269 -20.045 1.00 0.00 N ATOM 0 H HIS A 23 4.140 12.432 -14.913 1.00 0.00 H new ATOM 0 HA HIS A 23 1.353 12.172 -15.769 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.386 14.288 -16.229 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.836 13.532 -16.859 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.485 12.139 -18.248 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.177 14.644 -21.225 1.00 0.00 H new ATOM 0 HE2 HIS A 23 0.340 12.956 -20.719 1.00 0.00 H new ATOM 307 N TYR A 24 1.582 10.150 -17.157 1.00 0.00 N ATOM 308 CA TYR A 24 1.666 8.964 -18.001 1.00 0.00 C ATOM 309 C TYR A 24 0.314 8.652 -18.637 1.00 0.00 C ATOM 310 O TYR A 24 -0.681 8.449 -17.941 1.00 0.00 O ATOM 311 CB TYR A 24 2.147 7.764 -17.184 1.00 0.00 C ATOM 312 CG TYR A 24 2.721 6.648 -18.028 1.00 0.00 C ATOM 313 CD1 TYR A 24 4.010 6.732 -18.541 1.00 0.00 C ATOM 314 CD2 TYR A 24 1.975 5.512 -18.314 1.00 0.00 C ATOM 315 CE1 TYR A 24 4.539 5.715 -19.313 1.00 0.00 C ATOM 316 CE2 TYR A 24 2.496 4.490 -19.083 1.00 0.00 C ATOM 317 CZ TYR A 24 3.778 4.596 -19.581 1.00 0.00 C ATOM 318 OH TYR A 24 4.301 3.581 -20.349 1.00 0.00 O ATOM 0 H TYR A 24 0.664 10.307 -16.740 1.00 0.00 H new ATOM 0 HA TYR A 24 2.384 9.165 -18.796 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.904 8.098 -16.475 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.313 7.375 -16.600 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.608 7.607 -18.333 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.970 5.426 -17.928 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.542 5.796 -19.704 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.903 3.612 -19.293 1.00 0.00 H new ATOM 0 HH TYR A 24 3.637 2.866 -20.442 1.00 0.00 H new ATOM 328 N LYS A 25 0.288 8.613 -19.965 1.00 0.00 N ATOM 329 CA LYS A 25 -0.939 8.324 -20.698 1.00 0.00 C ATOM 330 C LYS A 25 -1.972 9.426 -20.487 1.00 0.00 C ATOM 331 O LYS A 25 -3.145 9.150 -20.236 1.00 0.00 O ATOM 332 CB LYS A 25 -1.516 6.977 -20.255 1.00 0.00 C ATOM 333 CG LYS A 25 -0.556 5.814 -20.437 1.00 0.00 C ATOM 334 CD LYS A 25 -0.733 5.152 -21.793 1.00 0.00 C ATOM 335 CE LYS A 25 0.152 5.798 -22.848 1.00 0.00 C ATOM 336 NZ LYS A 25 -0.551 6.899 -23.563 1.00 0.00 N ATOM 0 H LYS A 25 1.103 8.778 -20.556 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.696 8.277 -21.760 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.801 7.041 -19.205 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.426 6.778 -20.820 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.470 6.168 -20.335 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.719 5.079 -19.648 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.494 4.091 -21.715 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.777 5.222 -22.100 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.053 6.189 -22.376 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.470 5.043 -23.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.672 6.641 -24.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.484 7.054 -23.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.011 7.771 -23.496 1.00 0.00 H new ATOM 350 N ASN A 26 -1.529 10.674 -20.591 1.00 0.00 N ATOM 351 CA ASN A 26 -2.416 11.818 -20.412 1.00 0.00 C ATOM 352 C ASN A 26 -3.048 11.804 -19.024 1.00 0.00 C ATOM 353 O ASN A 26 -4.149 12.318 -18.827 1.00 0.00 O ATOM 354 CB ASN A 26 -3.509 11.814 -21.483 1.00 0.00 C ATOM 355 CG ASN A 26 -2.960 11.532 -22.868 1.00 0.00 C ATOM 356 OD1 ASN A 26 -2.901 10.381 -23.302 1.00 0.00 O ATOM 357 ND2 ASN A 26 -2.556 12.584 -23.570 1.00 0.00 N ATOM 0 H ASN A 26 -0.561 10.919 -20.798 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.822 12.726 -20.512 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.257 11.062 -21.232 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.015 12.779 -21.485 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.178 12.456 -24.509 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.623 13.520 -23.171 1.00 0.00 H new ATOM 364 N ARG A 27 -2.343 11.213 -18.064 1.00 0.00 N ATOM 365 CA ARG A 27 -2.835 11.132 -16.695 1.00 0.00 C ATOM 366 C ARG A 27 -1.852 11.779 -15.724 1.00 0.00 C ATOM 367 O ARG A 27 -0.811 12.296 -16.131 1.00 0.00 O ATOM 368 CB ARG A 27 -3.071 9.673 -16.301 1.00 0.00 C ATOM 369 CG ARG A 27 -4.145 8.985 -17.127 1.00 0.00 C ATOM 370 CD ARG A 27 -5.511 9.615 -16.902 1.00 0.00 C ATOM 371 NE ARG A 27 -6.549 8.973 -17.704 1.00 0.00 N ATOM 372 CZ ARG A 27 -7.714 9.544 -17.991 1.00 0.00 C ATOM 373 NH1 ARG A 27 -7.987 10.762 -17.544 1.00 0.00 N ATOM 374 NH2 ARG A 27 -8.608 8.896 -18.727 1.00 0.00 N ATOM 0 H ARG A 27 -1.429 10.784 -18.210 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.780 11.673 -16.643 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.136 9.122 -16.405 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.351 9.631 -15.248 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.886 9.044 -18.184 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.184 7.927 -16.867 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.773 9.545 -15.846 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.466 10.676 -17.149 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.370 8.035 -18.063 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.302 11.263 -16.978 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.882 11.198 -17.766 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.401 7.959 -19.073 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.502 9.335 -18.947 1.00 0.00 H new ATOM 388 N PHE A 28 -2.189 11.748 -14.439 1.00 0.00 N ATOM 389 CA PHE A 28 -1.336 12.333 -13.410 1.00 0.00 C ATOM 390 C PHE A 28 -1.666 11.755 -12.037 1.00 0.00 C ATOM 391 O PHE A 28 -2.812 11.805 -11.590 1.00 0.00 O ATOM 392 CB PHE A 28 -1.499 13.854 -13.388 1.00 0.00 C ATOM 393 CG PHE A 28 -1.439 14.483 -14.751 1.00 0.00 C ATOM 394 CD1 PHE A 28 -2.589 14.639 -15.507 1.00 0.00 C ATOM 395 CD2 PHE A 28 -0.232 14.919 -15.275 1.00 0.00 C ATOM 396 CE1 PHE A 28 -2.537 15.217 -16.762 1.00 0.00 C ATOM 397 CE2 PHE A 28 -0.174 15.498 -16.529 1.00 0.00 C ATOM 398 CZ PHE A 28 -1.328 15.648 -17.273 1.00 0.00 C ATOM 0 H PHE A 28 -3.047 11.324 -14.085 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.301 12.088 -13.648 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.453 14.102 -12.924 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.718 14.286 -12.762 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.537 14.305 -15.112 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.673 14.805 -14.697 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.441 15.331 -17.342 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.773 15.833 -16.927 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.285 16.101 -18.252 1.00 0.00 H new ATOM 408 N TRP A 29 -0.655 11.206 -11.375 1.00 0.00 N ATOM 409 CA TRP A 29 -0.837 10.618 -10.053 1.00 0.00 C ATOM 410 C TRP A 29 0.127 11.235 -9.045 1.00 0.00 C ATOM 411 O TRP A 29 1.264 11.568 -9.382 1.00 0.00 O ATOM 412 CB TRP A 29 -0.630 9.103 -10.113 1.00 0.00 C ATOM 413 CG TRP A 29 -1.655 8.397 -10.949 1.00 0.00 C ATOM 414 CD1 TRP A 29 -2.857 7.905 -10.528 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.565 8.104 -12.347 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.521 7.322 -11.581 1.00 0.00 N ATOM 417 CE2 TRP A 29 -2.750 7.432 -12.708 1.00 0.00 C ATOM 418 CE3 TRP A 29 -0.601 8.345 -13.330 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -2.993 6.999 -14.009 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -0.844 7.914 -14.620 1.00 0.00 C ATOM 421 CH2 TRP A 29 -2.032 7.248 -14.951 1.00 0.00 C ATOM 0 H TRP A 29 0.299 11.155 -11.731 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.856 10.826 -9.728 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.362 8.894 -10.514 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.656 8.699 -9.101 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.231 7.965 -9.517 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.439 6.879 -11.531 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.317 8.859 -13.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.907 6.485 -14.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.105 8.094 -15.387 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.192 6.925 -15.969 1.00 0.00 H new ATOM 432 N HIS A 30 -0.334 11.385 -7.807 1.00 0.00 N ATOM 433 CA HIS A 30 0.489 11.961 -6.750 1.00 0.00 C ATOM 434 C HIS A 30 1.628 11.019 -6.372 1.00 0.00 C ATOM 435 O HIS A 30 1.541 9.809 -6.584 1.00 0.00 O ATOM 436 CB HIS A 30 -0.365 12.266 -5.519 1.00 0.00 C ATOM 437 CG HIS A 30 -1.154 13.534 -5.637 1.00 0.00 C ATOM 438 ND1 HIS A 30 -2.532 13.560 -5.692 1.00 0.00 N ATOM 439 CD2 HIS A 30 -0.751 14.824 -5.708 1.00 0.00 C ATOM 440 CE1 HIS A 30 -2.942 14.812 -5.794 1.00 0.00 C ATOM 441 NE2 HIS A 30 -1.881 15.599 -5.805 1.00 0.00 N ATOM 0 H HIS A 30 -1.272 11.116 -7.512 1.00 0.00 H new ATOM 0 HA HIS A 30 0.919 12.890 -7.125 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.050 11.436 -5.348 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.283 12.331 -4.645 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.139 12.741 -5.659 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.269 15.178 -5.691 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.970 15.137 -5.858 1.00 0.00 H new ATOM 449 N ASP A 31 2.694 11.581 -5.813 1.00 0.00 N ATOM 450 CA ASP A 31 3.850 10.790 -5.406 1.00 0.00 C ATOM 451 C ASP A 31 3.439 9.685 -4.439 1.00 0.00 C ATOM 452 O ASP A 31 4.211 8.765 -4.165 1.00 0.00 O ATOM 453 CB ASP A 31 4.904 11.687 -4.756 1.00 0.00 C ATOM 454 CG ASP A 31 5.733 10.951 -3.722 1.00 0.00 C ATOM 455 OD1 ASP A 31 6.775 10.374 -4.099 1.00 0.00 O ATOM 456 OD2 ASP A 31 5.341 10.952 -2.537 1.00 0.00 O ATOM 0 H ASP A 31 2.782 12.581 -5.631 1.00 0.00 H new ATOM 0 HA ASP A 31 4.276 10.328 -6.297 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.562 12.087 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.412 12.538 -4.284 1.00 0.00 H new ATOM 461 N THR A 32 2.217 9.780 -3.924 1.00 0.00 N ATOM 462 CA THR A 32 1.704 8.790 -2.985 1.00 0.00 C ATOM 463 C THR A 32 0.600 7.951 -3.620 1.00 0.00 C ATOM 464 O THR A 32 0.279 6.863 -3.141 1.00 0.00 O ATOM 465 CB THR A 32 1.157 9.456 -1.709 1.00 0.00 C ATOM 466 OG1 THR A 32 0.356 10.592 -2.053 1.00 0.00 O ATOM 467 CG2 THR A 32 2.294 9.889 -0.795 1.00 0.00 C ATOM 0 H THR A 32 1.564 10.533 -4.142 1.00 0.00 H new ATOM 0 HA THR A 32 2.541 8.144 -2.718 1.00 0.00 H new ATOM 0 HB THR A 32 0.543 8.727 -1.180 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.011 11.008 -1.236 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.883 10.357 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.884 9.018 -0.511 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.930 10.603 -1.318 1.00 0.00 H new ATOM 475 N CYS A 33 0.022 8.464 -4.701 1.00 0.00 N ATOM 476 CA CYS A 33 -1.047 7.762 -5.402 1.00 0.00 C ATOM 477 C CYS A 33 -0.476 6.788 -6.429 1.00 0.00 C ATOM 478 O CYS A 33 -0.912 5.641 -6.522 1.00 0.00 O ATOM 479 CB CYS A 33 -1.974 8.763 -6.095 1.00 0.00 C ATOM 480 SG CYS A 33 -3.080 9.661 -4.959 1.00 0.00 S ATOM 0 H CYS A 33 0.276 9.363 -5.111 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.618 7.195 -4.667 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.368 9.485 -6.642 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.579 8.233 -6.831 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.823 10.485 -5.637 1.00 0.00 H new ATOM 485 N PHE A 34 0.504 7.253 -7.197 1.00 0.00 N ATOM 486 CA PHE A 34 1.135 6.424 -8.217 1.00 0.00 C ATOM 487 C PHE A 34 1.754 5.175 -7.596 1.00 0.00 C ATOM 488 O PHE A 34 2.841 5.229 -7.020 1.00 0.00 O ATOM 489 CB PHE A 34 2.207 7.222 -8.962 1.00 0.00 C ATOM 490 CG PHE A 34 2.784 6.494 -10.142 1.00 0.00 C ATOM 491 CD1 PHE A 34 1.971 6.089 -11.188 1.00 0.00 C ATOM 492 CD2 PHE A 34 4.140 6.215 -10.205 1.00 0.00 C ATOM 493 CE1 PHE A 34 2.499 5.420 -12.276 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.673 5.546 -11.291 1.00 0.00 C ATOM 495 CZ PHE A 34 3.852 5.147 -12.327 1.00 0.00 C ATOM 0 H PHE A 34 0.878 8.200 -7.132 1.00 0.00 H new ATOM 0 HA PHE A 34 0.366 6.114 -8.924 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.777 8.164 -9.301 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.011 7.470 -8.269 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.912 6.299 -11.153 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.787 6.523 -9.397 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.854 5.111 -13.086 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.732 5.335 -11.329 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.267 4.623 -13.175 1.00 0.00 H new ATOM 505 N ARG A 35 1.054 4.052 -7.717 1.00 0.00 N ATOM 506 CA ARG A 35 1.533 2.790 -7.167 1.00 0.00 C ATOM 507 C ARG A 35 0.872 1.606 -7.867 1.00 0.00 C ATOM 508 O ARG A 35 -0.029 1.780 -8.688 1.00 0.00 O ATOM 509 CB ARG A 35 1.256 2.727 -5.664 1.00 0.00 C ATOM 510 CG ARG A 35 -0.216 2.566 -5.322 1.00 0.00 C ATOM 511 CD ARG A 35 -0.408 2.119 -3.881 1.00 0.00 C ATOM 512 NE ARG A 35 -0.497 3.251 -2.963 1.00 0.00 N ATOM 513 CZ ARG A 35 -1.513 4.107 -2.948 1.00 0.00 C ATOM 514 NH1 ARG A 35 -2.522 3.959 -3.796 1.00 0.00 N ATOM 515 NH2 ARG A 35 -1.522 5.113 -2.083 1.00 0.00 N ATOM 0 H ARG A 35 0.153 3.990 -8.191 1.00 0.00 H new ATOM 0 HA ARG A 35 2.609 2.734 -7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.813 1.894 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.632 3.637 -5.195 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.733 3.512 -5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.669 1.837 -5.994 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.315 1.519 -3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.423 1.478 -3.587 1.00 0.00 H new ATOM 0 HE ARG A 35 0.262 3.392 -2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.519 3.186 -4.462 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.301 4.618 -3.782 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.748 5.230 -1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.303 5.770 -2.072 1.00 0.00 H new ATOM 529 N CYS A 36 1.326 0.401 -7.537 1.00 0.00 N ATOM 530 CA CYS A 36 0.781 -0.812 -8.134 1.00 0.00 C ATOM 531 C CYS A 36 -0.663 -1.033 -7.693 1.00 0.00 C ATOM 532 O CYS A 36 -1.141 -0.398 -6.753 1.00 0.00 O ATOM 533 CB CYS A 36 1.634 -2.022 -7.749 1.00 0.00 C ATOM 534 SG CYS A 36 1.339 -3.497 -8.778 1.00 0.00 S ATOM 0 H CYS A 36 2.070 0.239 -6.859 1.00 0.00 H new ATOM 0 HA CYS A 36 0.798 -0.694 -9.217 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.687 -1.748 -7.819 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.439 -2.274 -6.707 1.00 0.00 H new ATOM 0 HG CYS A 36 2.413 -4.229 -8.805 1.00 0.00 H new ATOM 539 N ALA A 37 -1.353 -1.939 -8.378 1.00 0.00 N ATOM 540 CA ALA A 37 -2.741 -2.247 -8.056 1.00 0.00 C ATOM 541 C ALA A 37 -2.867 -3.636 -7.440 1.00 0.00 C ATOM 542 O ALA A 37 -3.939 -4.026 -6.977 1.00 0.00 O ATOM 543 CB ALA A 37 -3.608 -2.139 -9.302 1.00 0.00 C ATOM 0 H ALA A 37 -0.973 -2.473 -9.160 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.088 -1.520 -7.321 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.642 -2.372 -9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.551 -1.125 -9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.253 -2.843 -10.055 1.00 0.00 H new ATOM 549 N LYS A 38 -1.766 -4.379 -7.438 1.00 0.00 N ATOM 550 CA LYS A 38 -1.752 -5.726 -6.879 1.00 0.00 C ATOM 551 C LYS A 38 -1.022 -5.751 -5.540 1.00 0.00 C ATOM 552 O LYS A 38 -1.519 -6.307 -4.560 1.00 0.00 O ATOM 553 CB LYS A 38 -1.085 -6.699 -7.854 1.00 0.00 C ATOM 554 CG LYS A 38 -2.058 -7.356 -8.818 1.00 0.00 C ATOM 555 CD LYS A 38 -1.377 -8.427 -9.654 1.00 0.00 C ATOM 556 CE LYS A 38 -1.149 -9.699 -8.851 1.00 0.00 C ATOM 557 NZ LYS A 38 0.222 -9.753 -8.274 1.00 0.00 N ATOM 0 H LYS A 38 -0.871 -4.071 -7.818 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.784 -6.036 -6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.326 -6.165 -8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.570 -7.474 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.882 -7.799 -8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.488 -6.599 -9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.989 -8.652 -10.528 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.422 -8.051 -10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.883 -9.758 -8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.308 -10.566 -9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.769 -10.499 -8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.693 -8.836 -8.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.163 -9.961 -7.257 1.00 0.00 H new ATOM 571 N CYS A 39 0.160 -5.145 -5.504 1.00 0.00 N ATOM 572 CA CYS A 39 0.959 -5.097 -4.286 1.00 0.00 C ATOM 573 C CYS A 39 0.870 -3.722 -3.631 1.00 0.00 C ATOM 574 O CYS A 39 1.282 -3.539 -2.485 1.00 0.00 O ATOM 575 CB CYS A 39 2.419 -5.434 -4.595 1.00 0.00 C ATOM 576 SG CYS A 39 3.224 -4.270 -5.742 1.00 0.00 S ATOM 0 H CYS A 39 0.586 -4.680 -6.306 1.00 0.00 H new ATOM 0 HA CYS A 39 0.562 -5.837 -3.591 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.981 -5.455 -3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.467 -6.437 -5.019 1.00 0.00 H new ATOM 0 HG CYS A 39 2.555 -4.226 -6.856 1.00 0.00 H new ATOM 581 N LEU A 40 0.330 -2.756 -4.367 1.00 0.00 N ATOM 582 CA LEU A 40 0.186 -1.396 -3.859 1.00 0.00 C ATOM 583 C LEU A 40 1.547 -0.793 -3.524 1.00 0.00 C ATOM 584 O LEU A 40 1.771 -0.322 -2.409 1.00 0.00 O ATOM 585 CB LEU A 40 -0.708 -1.387 -2.618 1.00 0.00 C ATOM 586 CG LEU A 40 -2.074 -2.058 -2.769 1.00 0.00 C ATOM 587 CD1 LEU A 40 -2.760 -2.182 -1.418 1.00 0.00 C ATOM 588 CD2 LEU A 40 -2.946 -1.279 -3.743 1.00 0.00 C ATOM 0 H LEU A 40 -0.015 -2.890 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.277 -0.790 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.172 -1.878 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.866 -0.352 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.923 -3.060 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.730 -2.662 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.143 -2.783 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.899 -1.190 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.914 -1.771 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.089 -0.264 -3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.460 -1.243 -4.718 1.00 0.00 H new ATOM 600 N HIS A 41 2.451 -0.810 -4.498 1.00 0.00 N ATOM 601 CA HIS A 41 3.790 -0.262 -4.307 1.00 0.00 C ATOM 602 C HIS A 41 4.033 0.915 -5.246 1.00 0.00 C ATOM 603 O HIS A 41 3.715 0.869 -6.435 1.00 0.00 O ATOM 604 CB HIS A 41 4.845 -1.344 -4.542 1.00 0.00 C ATOM 605 CG HIS A 41 6.249 -0.864 -4.341 1.00 0.00 C ATOM 606 ND1 HIS A 41 6.842 -0.773 -3.099 1.00 0.00 N ATOM 607 CD2 HIS A 41 7.180 -0.450 -5.232 1.00 0.00 C ATOM 608 CE1 HIS A 41 8.076 -0.322 -3.236 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.306 -0.118 -4.520 1.00 0.00 N ATOM 0 H HIS A 41 2.282 -1.197 -5.427 1.00 0.00 H new ATOM 0 HA HIS A 41 3.868 0.093 -3.279 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.655 -2.178 -3.867 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.742 -1.726 -5.558 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.060 -0.392 -6.304 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.778 -0.149 -2.434 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.178 0.230 -4.918 1.00 0.00 H new ATOM 618 N PRO A 42 4.611 1.997 -4.703 1.00 0.00 N ATOM 619 CA PRO A 42 4.909 3.207 -5.474 1.00 0.00 C ATOM 620 C PRO A 42 6.035 2.990 -6.480 1.00 0.00 C ATOM 621 O PRO A 42 7.143 2.597 -6.112 1.00 0.00 O ATOM 622 CB PRO A 42 5.335 4.214 -4.404 1.00 0.00 C ATOM 623 CG PRO A 42 5.841 3.380 -3.278 1.00 0.00 C ATOM 624 CD PRO A 42 5.017 2.122 -3.293 1.00 0.00 C ATOM 0 HA PRO A 42 4.055 3.532 -6.068 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.108 4.885 -4.778 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.497 4.836 -4.090 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.900 3.155 -3.404 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.738 3.903 -2.327 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.595 1.259 -2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.154 2.199 -2.632 1.00 0.00 H new ATOM 632 N LEU A 43 5.745 3.249 -7.750 1.00 0.00 N ATOM 633 CA LEU A 43 6.734 3.082 -8.810 1.00 0.00 C ATOM 634 C LEU A 43 7.277 4.433 -9.265 1.00 0.00 C ATOM 635 O LEU A 43 7.634 4.609 -10.430 1.00 0.00 O ATOM 636 CB LEU A 43 6.118 2.340 -9.997 1.00 0.00 C ATOM 637 CG LEU A 43 5.485 0.984 -9.686 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.262 0.272 -8.589 1.00 0.00 C ATOM 639 CD2 LEU A 43 4.027 1.155 -9.285 1.00 0.00 C ATOM 0 H LEU A 43 4.834 3.575 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 43 7.561 2.494 -8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.357 2.980 -10.444 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.893 2.193 -10.749 1.00 0.00 H new ATOM 0 HG LEU A 43 5.523 0.371 -10.587 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.797 -0.692 -8.381 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.291 0.116 -8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.256 0.881 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.593 0.179 -9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.965 1.786 -8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.477 1.623 -10.102 1.00 0.00 H new ATOM 651 N ALA A 44 7.337 5.384 -8.339 1.00 0.00 N ATOM 652 CA ALA A 44 7.840 6.718 -8.644 1.00 0.00 C ATOM 653 C ALA A 44 9.267 6.657 -9.177 1.00 0.00 C ATOM 654 O ALA A 44 9.612 7.350 -10.134 1.00 0.00 O ATOM 655 CB ALA A 44 7.773 7.602 -7.408 1.00 0.00 C ATOM 0 H ALA A 44 7.043 5.255 -7.371 1.00 0.00 H new ATOM 0 HA ALA A 44 7.208 7.150 -9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.152 8.595 -7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.739 7.680 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.380 7.165 -6.615 1.00 0.00 H new ATOM 661 N ASN A 45 10.093 5.825 -8.551 1.00 0.00 N ATOM 662 CA ASN A 45 11.484 5.676 -8.963 1.00 0.00 C ATOM 663 C ASN A 45 11.746 4.271 -9.496 1.00 0.00 C ATOM 664 O ASN A 45 12.853 3.959 -9.933 1.00 0.00 O ATOM 665 CB ASN A 45 12.420 5.970 -7.788 1.00 0.00 C ATOM 666 CG ASN A 45 11.904 7.089 -6.904 1.00 0.00 C ATOM 667 OD1 ASN A 45 10.871 6.951 -6.249 1.00 0.00 O ATOM 668 ND2 ASN A 45 12.622 8.205 -6.883 1.00 0.00 N ATOM 0 H ASN A 45 9.823 5.244 -7.757 1.00 0.00 H new ATOM 0 HA ASN A 45 11.679 6.391 -9.762 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.544 5.067 -7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.405 6.237 -8.170 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.324 8.993 -6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.472 8.275 -7.442 1.00 0.00 H new ATOM 675 N GLU A 46 10.719 3.428 -9.457 1.00 0.00 N ATOM 676 CA GLU A 46 10.838 2.056 -9.937 1.00 0.00 C ATOM 677 C GLU A 46 10.160 1.893 -11.294 1.00 0.00 C ATOM 678 O GLU A 46 9.516 2.815 -11.794 1.00 0.00 O ATOM 679 CB GLU A 46 10.223 1.084 -8.927 1.00 0.00 C ATOM 680 CG GLU A 46 10.919 1.088 -7.576 1.00 0.00 C ATOM 681 CD GLU A 46 10.704 2.381 -6.813 1.00 0.00 C ATOM 682 OE1 GLU A 46 9.546 2.665 -6.441 1.00 0.00 O ATOM 683 OE2 GLU A 46 11.694 3.109 -6.589 1.00 0.00 O ATOM 0 H GLU A 46 9.796 3.671 -9.098 1.00 0.00 H new ATOM 0 HA GLU A 46 11.898 1.829 -10.051 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.172 1.337 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.255 0.076 -9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.551 0.253 -6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.988 0.930 -7.721 1.00 0.00 H new ATOM 690 N THR A 47 10.312 0.712 -11.886 1.00 0.00 N ATOM 691 CA THR A 47 9.717 0.428 -13.186 1.00 0.00 C ATOM 692 C THR A 47 8.288 -0.083 -13.037 1.00 0.00 C ATOM 693 O THR A 47 7.942 -0.706 -12.033 1.00 0.00 O ATOM 694 CB THR A 47 10.543 -0.613 -13.966 1.00 0.00 C ATOM 695 OG1 THR A 47 11.938 -0.311 -13.859 1.00 0.00 O ATOM 696 CG2 THR A 47 10.135 -0.638 -15.432 1.00 0.00 C ATOM 0 H THR A 47 10.842 -0.062 -11.486 1.00 0.00 H new ATOM 0 HA THR A 47 9.709 1.366 -13.742 1.00 0.00 H new ATOM 0 HB THR A 47 10.351 -1.595 -13.534 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.456 -0.978 -14.356 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.731 -1.380 -15.963 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.079 -0.897 -15.511 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.302 0.345 -15.873 1.00 0.00 H new ATOM 704 N PHE A 48 7.461 0.184 -14.042 1.00 0.00 N ATOM 705 CA PHE A 48 6.069 -0.249 -14.023 1.00 0.00 C ATOM 706 C PHE A 48 5.624 -0.714 -15.406 1.00 0.00 C ATOM 707 O PHE A 48 6.370 -0.605 -16.379 1.00 0.00 O ATOM 708 CB PHE A 48 5.166 0.889 -13.540 1.00 0.00 C ATOM 709 CG PHE A 48 5.109 2.052 -14.487 1.00 0.00 C ATOM 710 CD1 PHE A 48 6.109 3.012 -14.488 1.00 0.00 C ATOM 711 CD2 PHE A 48 4.056 2.187 -15.378 1.00 0.00 C ATOM 712 CE1 PHE A 48 6.060 4.084 -15.359 1.00 0.00 C ATOM 713 CE2 PHE A 48 4.002 3.257 -16.251 1.00 0.00 C ATOM 714 CZ PHE A 48 5.005 4.207 -16.241 1.00 0.00 C ATOM 0 H PHE A 48 7.731 0.699 -14.880 1.00 0.00 H new ATOM 0 HA PHE A 48 5.985 -1.089 -13.333 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.158 0.503 -13.390 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.521 1.237 -12.570 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.936 2.921 -13.800 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.269 1.448 -15.390 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.846 4.825 -15.350 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.176 3.350 -16.941 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.964 5.044 -16.922 1.00 0.00 H new ATOM 724 N VAL A 49 4.403 -1.233 -15.485 1.00 0.00 N ATOM 725 CA VAL A 49 3.857 -1.714 -16.749 1.00 0.00 C ATOM 726 C VAL A 49 2.352 -1.485 -16.820 1.00 0.00 C ATOM 727 O VAL A 49 1.629 -1.734 -15.856 1.00 0.00 O ATOM 728 CB VAL A 49 4.147 -3.214 -16.950 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.647 -3.676 -18.310 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.634 -3.494 -16.795 1.00 0.00 C ATOM 0 H VAL A 49 3.773 -1.331 -14.689 1.00 0.00 H new ATOM 0 HA VAL A 49 4.345 -1.147 -17.542 1.00 0.00 H new ATOM 0 HB VAL A 49 3.614 -3.776 -16.184 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.860 -4.738 -18.435 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.572 -3.512 -18.377 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.150 -3.110 -19.094 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.821 -4.558 -16.940 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.191 -2.923 -17.538 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.957 -3.202 -15.796 1.00 0.00 H new ATOM 740 N ALA A 50 1.885 -1.008 -17.970 1.00 0.00 N ATOM 741 CA ALA A 50 0.465 -0.747 -18.168 1.00 0.00 C ATOM 742 C ALA A 50 -0.179 -1.834 -19.022 1.00 0.00 C ATOM 743 O ALA A 50 0.068 -1.921 -20.225 1.00 0.00 O ATOM 744 CB ALA A 50 0.264 0.618 -18.810 1.00 0.00 C ATOM 0 H ALA A 50 2.470 -0.795 -18.778 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.020 -0.753 -17.192 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.801 0.800 -18.952 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.681 1.390 -18.163 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.768 0.644 -19.776 1.00 0.00 H new ATOM 750 N LYS A 51 -1.005 -2.663 -18.392 1.00 0.00 N ATOM 751 CA LYS A 51 -1.685 -3.745 -19.093 1.00 0.00 C ATOM 752 C LYS A 51 -3.115 -3.906 -18.588 1.00 0.00 C ATOM 753 O LYS A 51 -3.408 -3.625 -17.425 1.00 0.00 O ATOM 754 CB LYS A 51 -0.919 -5.057 -18.914 1.00 0.00 C ATOM 755 CG LYS A 51 0.226 -5.232 -19.897 1.00 0.00 C ATOM 756 CD LYS A 51 1.191 -6.314 -19.442 1.00 0.00 C ATOM 757 CE LYS A 51 2.332 -6.495 -20.431 1.00 0.00 C ATOM 758 NZ LYS A 51 1.951 -7.388 -21.560 1.00 0.00 N ATOM 0 H LYS A 51 -1.219 -2.606 -17.396 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.719 -3.493 -20.153 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.525 -5.102 -17.899 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.612 -5.891 -19.025 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.172 -5.488 -20.879 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.761 -4.288 -20.006 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.594 -6.055 -18.463 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.655 -7.256 -19.327 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.631 -5.523 -20.822 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.197 -6.911 -19.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.755 -7.486 -22.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.690 -8.324 -21.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.141 -6.979 -22.068 1.00 0.00 H new ATOM 772 N ASP A 52 -4.001 -4.361 -19.467 1.00 0.00 N ATOM 773 CA ASP A 52 -5.400 -4.563 -19.108 1.00 0.00 C ATOM 774 C ASP A 52 -5.965 -3.330 -18.409 1.00 0.00 C ATOM 775 O ASP A 52 -6.765 -3.443 -17.481 1.00 0.00 O ATOM 776 CB ASP A 52 -5.547 -5.789 -18.206 1.00 0.00 C ATOM 777 CG ASP A 52 -6.886 -6.478 -18.378 1.00 0.00 C ATOM 778 OD1 ASP A 52 -7.189 -6.909 -19.510 1.00 0.00 O ATOM 779 OD2 ASP A 52 -7.631 -6.586 -17.381 1.00 0.00 O ATOM 0 H ASP A 52 -3.775 -4.597 -20.433 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.964 -4.729 -20.026 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.747 -6.496 -18.426 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.428 -5.487 -17.165 1.00 0.00 H new ATOM 784 N ASN A 53 -5.541 -2.154 -18.860 1.00 0.00 N ATOM 785 CA ASN A 53 -6.003 -0.900 -18.276 1.00 0.00 C ATOM 786 C ASN A 53 -5.803 -0.898 -16.764 1.00 0.00 C ATOM 787 O ASN A 53 -6.618 -0.354 -16.018 1.00 0.00 O ATOM 788 CB ASN A 53 -7.480 -0.673 -18.606 1.00 0.00 C ATOM 789 CG ASN A 53 -7.968 0.693 -18.165 1.00 0.00 C ATOM 790 OD1 ASN A 53 -7.407 1.719 -18.550 1.00 0.00 O ATOM 791 ND2 ASN A 53 -9.018 0.712 -17.352 1.00 0.00 N ATOM 0 H ASN A 53 -4.879 -2.043 -19.628 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.413 -0.090 -18.704 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.630 -0.780 -19.680 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.080 -1.444 -18.122 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.391 1.602 -17.021 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.452 -0.163 -17.058 1.00 0.00 H new ATOM 798 N LYS A 54 -4.711 -1.508 -16.316 1.00 0.00 N ATOM 799 CA LYS A 54 -4.400 -1.576 -14.894 1.00 0.00 C ATOM 800 C LYS A 54 -2.902 -1.408 -14.655 1.00 0.00 C ATOM 801 O LYS A 54 -2.084 -2.041 -15.322 1.00 0.00 O ATOM 802 CB LYS A 54 -4.873 -2.909 -14.310 1.00 0.00 C ATOM 803 CG LYS A 54 -6.304 -2.876 -13.801 1.00 0.00 C ATOM 804 CD LYS A 54 -6.577 -4.013 -12.831 1.00 0.00 C ATOM 805 CE LYS A 54 -6.180 -3.641 -11.411 1.00 0.00 C ATOM 806 NZ LYS A 54 -6.936 -4.429 -10.398 1.00 0.00 N ATOM 0 H LYS A 54 -4.026 -1.963 -16.919 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.924 -0.761 -14.395 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.785 -3.682 -15.073 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.211 -3.193 -13.492 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.494 -1.923 -13.308 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.992 -2.942 -14.643 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.636 -4.270 -12.858 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.026 -4.900 -13.144 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.111 -3.808 -11.277 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.359 -2.578 -11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.636 -4.146 -9.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.955 -4.250 -10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.746 -5.442 -10.534 1.00 0.00 H new ATOM 820 N ILE A 55 -2.552 -0.553 -13.700 1.00 0.00 N ATOM 821 CA ILE A 55 -1.154 -0.305 -13.373 1.00 0.00 C ATOM 822 C ILE A 55 -0.571 -1.447 -12.549 1.00 0.00 C ATOM 823 O ILE A 55 -1.118 -1.820 -11.510 1.00 0.00 O ATOM 824 CB ILE A 55 -0.983 1.014 -12.596 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.564 2.182 -13.395 1.00 0.00 C ATOM 826 CG2 ILE A 55 0.486 1.258 -12.283 1.00 0.00 C ATOM 827 CD1 ILE A 55 -0.919 2.367 -14.750 1.00 0.00 C ATOM 0 H ILE A 55 -3.217 -0.021 -13.139 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.617 -0.232 -14.319 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.527 0.937 -11.655 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.634 2.023 -13.530 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.448 3.100 -12.818 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.590 2.194 -11.734 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.870 0.437 -11.678 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.051 1.318 -13.213 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.380 3.212 -15.260 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.147 2.558 -14.623 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.058 1.464 -15.345 1.00 0.00 H new ATOM 839 N LEU A 56 0.543 -1.999 -13.017 1.00 0.00 N ATOM 840 CA LEU A 56 1.203 -3.099 -12.322 1.00 0.00 C ATOM 841 C LEU A 56 2.717 -2.914 -12.324 1.00 0.00 C ATOM 842 O LEU A 56 3.270 -2.241 -13.194 1.00 0.00 O ATOM 843 CB LEU A 56 0.840 -4.433 -12.977 1.00 0.00 C ATOM 844 CG LEU A 56 -0.595 -4.917 -12.764 1.00 0.00 C ATOM 845 CD1 LEU A 56 -0.858 -6.180 -13.570 1.00 0.00 C ATOM 846 CD2 LEU A 56 -0.862 -5.159 -11.286 1.00 0.00 C ATOM 0 H LEU A 56 1.008 -1.703 -13.875 1.00 0.00 H new ATOM 0 HA LEU A 56 0.857 -3.103 -11.288 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.018 -4.349 -14.049 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.520 -5.197 -12.600 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.276 -4.141 -13.113 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.884 -6.509 -13.406 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.709 -5.973 -14.630 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.170 -6.964 -13.253 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.888 -5.503 -11.153 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.174 -5.917 -10.911 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.716 -4.231 -10.733 1.00 0.00 H new ATOM 858 N CYS A 57 3.383 -3.519 -11.346 1.00 0.00 N ATOM 859 CA CYS A 57 4.833 -3.423 -11.234 1.00 0.00 C ATOM 860 C CYS A 57 5.506 -4.664 -11.813 1.00 0.00 C ATOM 861 O CYS A 57 4.838 -5.624 -12.195 1.00 0.00 O ATOM 862 CB CYS A 57 5.243 -3.243 -9.771 1.00 0.00 C ATOM 863 SG CYS A 57 5.009 -4.730 -8.745 1.00 0.00 S ATOM 0 H CYS A 57 2.941 -4.081 -10.619 1.00 0.00 H new ATOM 0 HA CYS A 57 5.159 -2.554 -11.805 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.292 -2.949 -9.732 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.667 -2.424 -9.341 1.00 0.00 H new ATOM 0 HG CYS A 57 4.322 -4.422 -7.685 1.00 0.00 H new ATOM 868 N ASN A 58 6.834 -4.637 -11.874 1.00 0.00 N ATOM 869 CA ASN A 58 7.598 -5.760 -12.406 1.00 0.00 C ATOM 870 C ASN A 58 7.435 -6.995 -11.525 1.00 0.00 C ATOM 871 O ASN A 58 7.272 -8.109 -12.022 1.00 0.00 O ATOM 872 CB ASN A 58 9.078 -5.389 -12.517 1.00 0.00 C ATOM 873 CG ASN A 58 9.588 -4.670 -11.283 1.00 0.00 C ATOM 874 OD1 ASN A 58 9.940 -5.299 -10.285 1.00 0.00 O ATOM 875 ND2 ASN A 58 9.629 -3.344 -11.346 1.00 0.00 N ATOM 0 H ASN A 58 7.403 -3.850 -11.562 1.00 0.00 H new ATOM 0 HA ASN A 58 7.213 -5.992 -13.399 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.665 -6.293 -12.676 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.226 -4.755 -13.391 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.962 -2.806 -10.546 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.327 -2.864 -12.194 1.00 0.00 H new ATOM 882 N LYS A 59 7.481 -6.789 -10.213 1.00 0.00 N ATOM 883 CA LYS A 59 7.337 -7.884 -9.261 1.00 0.00 C ATOM 884 C LYS A 59 6.060 -8.674 -9.529 1.00 0.00 C ATOM 885 O LYS A 59 6.061 -9.905 -9.494 1.00 0.00 O ATOM 886 CB LYS A 59 7.323 -7.343 -7.829 1.00 0.00 C ATOM 887 CG LYS A 59 6.943 -8.383 -6.790 1.00 0.00 C ATOM 888 CD LYS A 59 8.151 -9.186 -6.336 1.00 0.00 C ATOM 889 CE LYS A 59 7.759 -10.271 -5.345 1.00 0.00 C ATOM 890 NZ LYS A 59 6.830 -11.265 -5.951 1.00 0.00 N ATOM 0 H LYS A 59 7.617 -5.873 -9.785 1.00 0.00 H new ATOM 0 HA LYS A 59 8.189 -8.553 -9.383 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.310 -6.946 -7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.622 -6.510 -7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.489 -7.890 -5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.193 -9.056 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.634 -9.640 -7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.881 -8.519 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.655 -10.780 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.286 -9.815 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.785 -12.111 -5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.881 -10.848 -6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.174 -11.531 -6.896 1.00 0.00 H new ATOM 904 N CYS A 60 4.973 -7.959 -9.800 1.00 0.00 N ATOM 905 CA CYS A 60 3.690 -8.594 -10.075 1.00 0.00 C ATOM 906 C CYS A 60 3.661 -9.173 -11.487 1.00 0.00 C ATOM 907 O CYS A 60 3.467 -10.374 -11.674 1.00 0.00 O ATOM 908 CB CYS A 60 2.552 -7.586 -9.903 1.00 0.00 C ATOM 909 SG CYS A 60 2.115 -7.248 -8.167 1.00 0.00 S ATOM 0 H CYS A 60 4.955 -6.940 -9.835 1.00 0.00 H new ATOM 0 HA CYS A 60 3.556 -9.409 -9.364 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.834 -6.650 -10.384 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.669 -7.958 -10.423 1.00 0.00 H new ATOM 0 HG CYS A 60 1.790 -5.996 -8.037 1.00 0.00 H new ATOM 914 N THR A 61 3.856 -8.309 -12.479 1.00 0.00 N ATOM 915 CA THR A 61 3.852 -8.733 -13.873 1.00 0.00 C ATOM 916 C THR A 61 4.720 -9.971 -14.074 1.00 0.00 C ATOM 917 O THR A 61 4.368 -10.871 -14.837 1.00 0.00 O ATOM 918 CB THR A 61 4.355 -7.612 -14.803 1.00 0.00 C ATOM 919 OG1 THR A 61 5.709 -7.279 -14.481 1.00 0.00 O ATOM 920 CG2 THR A 61 3.479 -6.374 -14.679 1.00 0.00 C ATOM 0 H THR A 61 4.019 -7.311 -12.342 1.00 0.00 H new ATOM 0 HA THR A 61 2.819 -8.971 -14.128 1.00 0.00 H new ATOM 0 HB THR A 61 4.305 -7.972 -15.831 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.955 -7.698 -13.630 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.853 -5.596 -15.344 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.454 -6.624 -14.953 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.502 -6.014 -13.651 1.00 0.00 H new ATOM 1004 N PRO A 67 -3.155 -15.872 -15.061 1.00 0.00 N ATOM 1005 CA PRO A 67 -4.108 -15.478 -16.103 1.00 0.00 C ATOM 1006 C PRO A 67 -5.543 -15.436 -15.591 1.00 0.00 C ATOM 1007 O PRO A 67 -5.808 -15.745 -14.429 1.00 0.00 O ATOM 1008 CB PRO A 67 -3.949 -16.573 -17.161 1.00 0.00 C ATOM 1009 CG PRO A 67 -3.450 -17.758 -16.408 1.00 0.00 C ATOM 1010 CD PRO A 67 -2.593 -17.212 -15.299 1.00 0.00 C ATOM 0 HA PRO A 67 -3.911 -14.473 -16.477 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.897 -16.788 -17.654 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.246 -16.273 -17.938 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.278 -18.344 -16.009 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.875 -18.419 -17.057 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.647 -17.835 -14.406 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.544 -17.162 -15.590 1.00 0.00 H new ATOM 1018 N LYS A 68 -6.467 -15.051 -16.465 1.00 0.00 N ATOM 1019 CA LYS A 68 -7.877 -14.970 -16.103 1.00 0.00 C ATOM 1020 C LYS A 68 -8.758 -15.524 -17.217 1.00 0.00 C ATOM 1021 O LYS A 68 -8.336 -15.614 -18.370 1.00 0.00 O ATOM 1022 CB LYS A 68 -8.265 -13.520 -15.804 1.00 0.00 C ATOM 1023 CG LYS A 68 -8.127 -12.595 -17.001 1.00 0.00 C ATOM 1024 CD LYS A 68 -8.485 -11.162 -16.643 1.00 0.00 C ATOM 1025 CE LYS A 68 -8.598 -10.289 -17.883 1.00 0.00 C ATOM 1026 NZ LYS A 68 -7.274 -10.066 -18.528 1.00 0.00 N ATOM 0 H LYS A 68 -6.264 -14.790 -17.430 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.032 -15.573 -15.208 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.296 -13.494 -15.452 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.641 -13.146 -14.992 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.104 -12.633 -17.375 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.774 -12.942 -17.807 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.429 -11.147 -16.099 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.726 -10.752 -15.976 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.275 -10.758 -18.597 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.036 -9.328 -17.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.221 -9.090 -18.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.518 -10.222 -17.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.158 -10.730 -19.320 1.00 0.00 H new ATOM 1040 N CYS A 69 -9.986 -15.894 -16.867 1.00 0.00 N ATOM 1041 CA CYS A 69 -10.928 -16.438 -17.837 1.00 0.00 C ATOM 1042 C CYS A 69 -11.936 -15.378 -18.270 1.00 0.00 C ATOM 1043 O CYS A 69 -12.074 -14.337 -17.628 1.00 0.00 O ATOM 1044 CB CYS A 69 -11.661 -17.644 -17.246 1.00 0.00 C ATOM 1045 SG CYS A 69 -12.643 -18.584 -18.458 1.00 0.00 S ATOM 0 H CYS A 69 -10.352 -15.827 -15.917 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.365 -16.758 -18.714 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.930 -18.312 -16.790 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -12.320 -17.300 -16.449 1.00 0.00 H new ATOM 0 HG CYS A 69 -12.865 -19.781 -18.002 1.00 0.00 H new ATOM 1050 N LYS A 70 -12.639 -15.651 -19.364 1.00 0.00 N ATOM 1051 CA LYS A 70 -13.637 -14.723 -19.884 1.00 0.00 C ATOM 1052 C LYS A 70 -15.031 -15.338 -19.833 1.00 0.00 C ATOM 1053 O LYS A 70 -16.031 -14.628 -19.729 1.00 0.00 O ATOM 1054 CB LYS A 70 -13.295 -14.328 -21.322 1.00 0.00 C ATOM 1055 CG LYS A 70 -13.803 -12.950 -21.712 1.00 0.00 C ATOM 1056 CD LYS A 70 -15.320 -12.881 -21.662 1.00 0.00 C ATOM 1057 CE LYS A 70 -15.865 -11.872 -22.661 1.00 0.00 C ATOM 1058 NZ LYS A 70 -17.332 -12.028 -22.862 1.00 0.00 N ATOM 0 H LYS A 70 -12.536 -16.508 -19.908 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.629 -13.832 -19.257 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.213 -14.357 -21.450 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.716 -15.067 -22.003 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.381 -12.202 -21.040 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.460 -12.705 -22.717 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.737 -13.866 -21.873 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.640 -12.608 -20.656 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.652 -10.862 -22.310 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.353 -11.993 -23.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.665 -11.322 -23.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.534 -12.983 -23.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.823 -11.888 -21.956 1.00 0.00 H new ATOM 1072 N GLY A 71 -15.091 -16.665 -19.906 1.00 0.00 N ATOM 1073 CA GLY A 71 -16.368 -17.353 -19.864 1.00 0.00 C ATOM 1074 C GLY A 71 -17.072 -17.191 -18.531 1.00 0.00 C ATOM 1075 O GLY A 71 -18.291 -17.029 -18.480 1.00 0.00 O ATOM 0 H GLY A 71 -14.278 -17.275 -19.993 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.009 -16.971 -20.658 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.212 -18.413 -20.062 1.00 0.00 H new ATOM 1079 N CYS A 72 -16.302 -17.236 -17.449 1.00 0.00 N ATOM 1080 CA CYS A 72 -16.858 -17.096 -16.109 1.00 0.00 C ATOM 1081 C CYS A 72 -16.173 -15.961 -15.352 1.00 0.00 C ATOM 1082 O CYS A 72 -16.723 -15.419 -14.393 1.00 0.00 O ATOM 1083 CB CYS A 72 -16.708 -18.405 -15.332 1.00 0.00 C ATOM 1084 SG CYS A 72 -15.003 -19.044 -15.273 1.00 0.00 S ATOM 0 H CYS A 72 -15.291 -17.368 -17.474 1.00 0.00 H new ATOM 0 HA CYS A 72 -17.917 -16.858 -16.205 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -17.063 -18.253 -14.313 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -17.352 -19.159 -15.784 1.00 0.00 H new ATOM 0 HG CYS A 72 -14.414 -18.815 -16.409 1.00 0.00 H new ATOM 1089 N PHE A 73 -14.969 -15.608 -15.790 1.00 0.00 N ATOM 1090 CA PHE A 73 -14.208 -14.539 -15.154 1.00 0.00 C ATOM 1091 C PHE A 73 -13.649 -14.994 -13.809 1.00 0.00 C ATOM 1092 O PHE A 73 -13.846 -14.337 -12.787 1.00 0.00 O ATOM 1093 CB PHE A 73 -15.088 -13.302 -14.961 1.00 0.00 C ATOM 1094 CG PHE A 73 -14.309 -12.024 -14.840 1.00 0.00 C ATOM 1095 CD1 PHE A 73 -13.710 -11.455 -15.953 1.00 0.00 C ATOM 1096 CD2 PHE A 73 -14.175 -11.392 -13.615 1.00 0.00 C ATOM 1097 CE1 PHE A 73 -12.991 -10.279 -15.844 1.00 0.00 C ATOM 1098 CE2 PHE A 73 -13.458 -10.215 -13.500 1.00 0.00 C ATOM 1099 CZ PHE A 73 -12.866 -9.658 -14.617 1.00 0.00 C ATOM 0 H PHE A 73 -14.500 -16.046 -16.582 1.00 0.00 H new ATOM 0 HA PHE A 73 -13.373 -14.284 -15.807 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -15.776 -13.220 -15.803 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -15.695 -13.434 -14.065 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -13.806 -11.935 -16.916 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -14.636 -11.824 -12.739 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.527 -9.846 -16.718 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -13.361 -9.732 -12.539 1.00 0.00 H new ATOM 0 HZ PHE A 73 -12.306 -8.738 -14.531 1.00 0.00 H new ATOM 1109 N LYS A 74 -12.951 -16.125 -13.818 1.00 0.00 N ATOM 1110 CA LYS A 74 -12.362 -16.670 -12.600 1.00 0.00 C ATOM 1111 C LYS A 74 -10.880 -16.968 -12.799 1.00 0.00 C ATOM 1112 O LYS A 74 -10.438 -17.253 -13.912 1.00 0.00 O ATOM 1113 CB LYS A 74 -13.098 -17.945 -12.180 1.00 0.00 C ATOM 1114 CG LYS A 74 -14.500 -17.693 -11.653 1.00 0.00 C ATOM 1115 CD LYS A 74 -15.170 -18.983 -11.214 1.00 0.00 C ATOM 1116 CE LYS A 74 -16.519 -18.717 -10.562 1.00 0.00 C ATOM 1117 NZ LYS A 74 -17.146 -19.968 -10.054 1.00 0.00 N ATOM 0 H LYS A 74 -12.779 -16.682 -14.655 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.462 -15.924 -11.812 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.156 -18.619 -13.035 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.516 -18.454 -11.411 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.455 -17.001 -10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.100 -17.215 -12.427 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.304 -19.636 -12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.523 -19.510 -10.512 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.392 -18.014 -9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.185 -18.245 -11.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.063 -19.744 -9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.291 -20.629 -10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.523 -20.406 -9.346 1.00 0.00 H new ATOM 1131 N ALA A 75 -10.116 -16.902 -11.713 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.684 -17.168 -11.769 1.00 0.00 C ATOM 1133 C ALA A 75 -8.405 -18.551 -12.345 1.00 0.00 C ATOM 1134 O ALA A 75 -8.889 -19.559 -11.827 1.00 0.00 O ATOM 1135 CB ALA A 75 -8.069 -17.037 -10.383 1.00 0.00 C ATOM 0 H ALA A 75 -10.465 -16.667 -10.784 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.227 -16.430 -12.429 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.999 -17.238 -10.439 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.229 -16.026 -10.008 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.538 -17.753 -9.708 1.00 0.00 H new ATOM 1141 N ILE A 76 -7.623 -18.593 -13.418 1.00 0.00 N ATOM 1142 CA ILE A 76 -7.279 -19.854 -14.064 1.00 0.00 C ATOM 1143 C ILE A 76 -6.055 -20.490 -13.413 1.00 0.00 C ATOM 1144 O ILE A 76 -5.075 -19.808 -13.111 1.00 0.00 O ATOM 1145 CB ILE A 76 -7.006 -19.661 -15.567 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -8.210 -19.006 -16.247 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -6.681 -20.995 -16.222 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -7.923 -18.527 -17.652 1.00 0.00 C ATOM 0 H ILE A 76 -7.215 -17.768 -13.859 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.137 -20.515 -13.941 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.145 -19.002 -15.683 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.033 -19.720 -16.276 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.542 -18.161 -15.644 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.491 -20.842 -17.284 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.796 -21.425 -15.753 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.523 -21.676 -16.099 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.821 -18.074 -18.072 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.121 -17.789 -17.628 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.620 -19.372 -18.270 1.00 0.00 H new ATOM 1160 N VAL A 77 -6.118 -21.800 -13.201 1.00 0.00 N ATOM 1161 CA VAL A 77 -5.013 -22.529 -12.589 1.00 0.00 C ATOM 1162 C VAL A 77 -4.224 -23.310 -13.634 1.00 0.00 C ATOM 1163 O VAL A 77 -4.789 -23.813 -14.605 1.00 0.00 O ATOM 1164 CB VAL A 77 -5.515 -23.503 -11.506 1.00 0.00 C ATOM 1165 CG1 VAL A 77 -4.346 -24.227 -10.855 1.00 0.00 C ATOM 1166 CG2 VAL A 77 -6.341 -22.763 -10.465 1.00 0.00 C ATOM 0 H VAL A 77 -6.922 -22.379 -13.444 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.362 -21.787 -12.126 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.154 -24.248 -11.980 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.720 -24.910 -10.093 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.800 -24.791 -11.612 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.679 -23.499 -10.393 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.687 -23.467 -9.708 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.728 -21.995 -9.993 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.200 -22.296 -10.947 1.00 0.00 H new ATOM 1176 N ALA A 78 -2.915 -23.409 -13.427 1.00 0.00 N ATOM 1177 CA ALA A 78 -2.048 -24.131 -14.349 1.00 0.00 C ATOM 1178 C ALA A 78 -2.533 -25.563 -14.551 1.00 0.00 C ATOM 1179 O ALA A 78 -2.824 -25.978 -15.672 1.00 0.00 O ATOM 1180 CB ALA A 78 -0.614 -24.124 -13.841 1.00 0.00 C ATOM 0 H ALA A 78 -2.432 -22.998 -12.628 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.082 -23.624 -15.313 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.022 -24.667 -14.540 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.263 -23.095 -13.755 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.572 -24.604 -12.864 1.00 0.00 H new ATOM 1186 N GLY A 79 -2.616 -26.314 -13.457 1.00 0.00 N ATOM 1187 CA GLY A 79 -3.065 -27.692 -13.536 1.00 0.00 C ATOM 1188 C GLY A 79 -4.366 -27.835 -14.301 1.00 0.00 C ATOM 1189 O GLY A 79 -4.529 -28.763 -15.094 1.00 0.00 O ATOM 0 H GLY A 79 -2.380 -25.993 -12.518 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.295 -28.295 -14.018 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.194 -28.087 -12.528 1.00 0.00 H new ATOM 1193 N ASP A 80 -5.295 -26.916 -14.062 1.00 0.00 N ATOM 1194 CA ASP A 80 -6.589 -26.944 -14.734 1.00 0.00 C ATOM 1195 C ASP A 80 -6.437 -26.626 -16.219 1.00 0.00 C ATOM 1196 O ASP A 80 -6.068 -25.512 -16.589 1.00 0.00 O ATOM 1197 CB ASP A 80 -7.548 -25.947 -14.082 1.00 0.00 C ATOM 1198 CG ASP A 80 -8.217 -26.513 -12.845 1.00 0.00 C ATOM 1199 OD1 ASP A 80 -8.611 -27.697 -12.873 1.00 0.00 O ATOM 1200 OD2 ASP A 80 -8.347 -25.771 -11.848 1.00 0.00 O ATOM 0 H ASP A 80 -5.176 -26.142 -13.408 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.000 -27.949 -14.636 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.001 -25.043 -13.814 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.311 -25.656 -14.804 1.00 0.00 H new ATOM 1205 N GLN A 81 -6.722 -27.612 -17.062 1.00 0.00 N ATOM 1206 CA GLN A 81 -6.616 -27.437 -18.506 1.00 0.00 C ATOM 1207 C GLN A 81 -7.375 -26.195 -18.961 1.00 0.00 C ATOM 1208 O GLN A 81 -8.529 -25.989 -18.588 1.00 0.00 O ATOM 1209 CB GLN A 81 -7.153 -28.672 -19.232 1.00 0.00 C ATOM 1210 CG GLN A 81 -6.344 -29.932 -18.969 1.00 0.00 C ATOM 1211 CD GLN A 81 -6.660 -30.559 -17.626 1.00 0.00 C ATOM 1212 OE1 GLN A 81 -7.814 -30.585 -17.197 1.00 0.00 O ATOM 1213 NE2 GLN A 81 -5.635 -31.070 -16.955 1.00 0.00 N ATOM 0 H GLN A 81 -7.028 -28.540 -16.771 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.563 -27.308 -18.754 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.185 -28.843 -18.926 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.166 -28.476 -20.304 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.540 -30.657 -19.759 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.282 -29.693 -19.013 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.695 -31.026 -17.349 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.787 -31.506 -16.046 1.00 0.00 H new ATOM 1222 N ASN A 82 -6.718 -25.369 -19.770 1.00 0.00 N ATOM 1223 CA ASN A 82 -7.331 -24.146 -20.275 1.00 0.00 C ATOM 1224 C ASN A 82 -7.156 -24.035 -21.787 1.00 0.00 C ATOM 1225 O ASN A 82 -6.398 -24.793 -22.393 1.00 0.00 O ATOM 1226 CB ASN A 82 -6.719 -22.923 -19.589 1.00 0.00 C ATOM 1227 CG ASN A 82 -5.303 -23.177 -19.110 1.00 0.00 C ATOM 1228 OD1 ASN A 82 -4.375 -23.286 -19.911 1.00 0.00 O ATOM 1229 ND2 ASN A 82 -5.131 -23.272 -17.797 1.00 0.00 N ATOM 0 H ASN A 82 -5.762 -25.525 -20.089 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.397 -24.184 -20.051 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.720 -22.082 -20.283 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.341 -22.637 -18.741 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.200 -23.442 -17.416 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.929 -23.175 -17.170 1.00 0.00 H new ATOM 1236 N VAL A 83 -7.863 -23.085 -22.390 1.00 0.00 N ATOM 1237 CA VAL A 83 -7.786 -22.872 -23.831 1.00 0.00 C ATOM 1238 C VAL A 83 -7.436 -21.424 -24.155 1.00 0.00 C ATOM 1239 O VAL A 83 -8.256 -20.524 -23.980 1.00 0.00 O ATOM 1240 CB VAL A 83 -9.112 -23.236 -24.524 1.00 0.00 C ATOM 1241 CG1 VAL A 83 -8.944 -23.233 -26.036 1.00 0.00 C ATOM 1242 CG2 VAL A 83 -9.614 -24.587 -24.038 1.00 0.00 C ATOM 0 H VAL A 83 -8.496 -22.450 -21.903 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.998 -23.525 -24.206 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.856 -22.483 -24.264 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.892 -23.493 -26.508 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.634 -22.241 -26.366 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.186 -23.963 -26.319 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.552 -24.828 -24.538 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.874 -25.354 -24.266 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.777 -24.549 -22.961 1.00 0.00 H new ATOM 1252 N GLU A 84 -6.212 -21.208 -24.628 1.00 0.00 N ATOM 1253 CA GLU A 84 -5.754 -19.868 -24.976 1.00 0.00 C ATOM 1254 C GLU A 84 -5.955 -19.594 -26.464 1.00 0.00 C ATOM 1255 O GLU A 84 -5.468 -20.339 -27.315 1.00 0.00 O ATOM 1256 CB GLU A 84 -4.278 -19.699 -24.610 1.00 0.00 C ATOM 1257 CG GLU A 84 -3.868 -18.252 -24.393 1.00 0.00 C ATOM 1258 CD GLU A 84 -2.369 -18.049 -24.499 1.00 0.00 C ATOM 1259 OE1 GLU A 84 -1.631 -18.644 -23.686 1.00 0.00 O ATOM 1260 OE2 GLU A 84 -1.934 -17.296 -25.395 1.00 0.00 O ATOM 0 H GLU A 84 -5.521 -21.943 -24.779 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.346 -19.150 -24.409 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.070 -20.267 -23.703 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.664 -20.127 -25.403 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.369 -17.622 -25.128 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.207 -17.926 -23.410 1.00 0.00 H new ATOM 1267 N TYR A 85 -6.676 -18.521 -26.769 1.00 0.00 N ATOM 1268 CA TYR A 85 -6.944 -18.149 -28.153 1.00 0.00 C ATOM 1269 C TYR A 85 -6.949 -16.633 -28.319 1.00 0.00 C ATOM 1270 O TYR A 85 -7.883 -15.952 -27.894 1.00 0.00 O ATOM 1271 CB TYR A 85 -8.285 -18.728 -28.608 1.00 0.00 C ATOM 1272 CG TYR A 85 -8.656 -18.355 -30.026 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -7.996 -18.924 -31.109 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -9.665 -17.435 -30.282 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -8.331 -18.586 -32.406 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -10.007 -17.093 -31.576 1.00 0.00 C ATOM 1277 CZ TYR A 85 -9.337 -17.671 -32.634 1.00 0.00 C ATOM 1278 OH TYR A 85 -9.674 -17.332 -33.925 1.00 0.00 O ATOM 0 H TYR A 85 -7.085 -17.894 -26.077 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.148 -18.561 -28.774 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.249 -19.814 -28.524 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.068 -18.382 -27.933 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.209 -19.642 -30.934 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.191 -16.980 -29.456 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.808 -19.036 -33.237 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.795 -16.377 -31.758 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.402 -16.676 -33.912 1.00 0.00 H new ATOM 1288 N LYS A 86 -5.899 -16.108 -28.941 1.00 0.00 N ATOM 1289 CA LYS A 86 -5.780 -14.673 -29.166 1.00 0.00 C ATOM 1290 C LYS A 86 -5.638 -13.925 -27.844 1.00 0.00 C ATOM 1291 O LYS A 86 -6.398 -13.000 -27.559 1.00 0.00 O ATOM 1292 CB LYS A 86 -7.000 -14.153 -29.930 1.00 0.00 C ATOM 1293 CG LYS A 86 -6.801 -14.109 -31.436 1.00 0.00 C ATOM 1294 CD LYS A 86 -8.094 -14.402 -32.178 1.00 0.00 C ATOM 1295 CE LYS A 86 -9.163 -13.366 -31.866 1.00 0.00 C ATOM 1296 NZ LYS A 86 -9.935 -13.716 -30.641 1.00 0.00 N ATOM 0 H LYS A 86 -5.117 -16.656 -29.299 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.884 -14.497 -29.761 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.857 -14.787 -29.704 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.241 -13.151 -29.574 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.429 -13.127 -31.726 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.042 -14.836 -31.725 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.903 -14.418 -33.251 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.455 -15.393 -31.904 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.695 -12.390 -31.734 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.844 -13.281 -32.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.917 -13.388 -30.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.927 -14.747 -30.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.501 -13.257 -29.814 1.00 0.00 H new ATOM 1310 N GLY A 87 -4.659 -14.330 -27.042 1.00 0.00 N ATOM 1311 CA GLY A 87 -4.435 -13.686 -25.761 1.00 0.00 C ATOM 1312 C GLY A 87 -5.404 -14.160 -24.696 1.00 0.00 C ATOM 1313 O GLY A 87 -4.998 -14.523 -23.592 1.00 0.00 O ATOM 0 H GLY A 87 -4.017 -15.093 -27.256 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.414 -13.883 -25.433 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.529 -12.607 -25.879 1.00 0.00 H new ATOM 1317 N THR A 88 -6.692 -14.157 -25.027 1.00 0.00 N ATOM 1318 CA THR A 88 -7.723 -14.586 -24.090 1.00 0.00 C ATOM 1319 C THR A 88 -7.802 -16.107 -24.020 1.00 0.00 C ATOM 1320 O THR A 88 -7.956 -16.779 -25.040 1.00 0.00 O ATOM 1321 CB THR A 88 -9.105 -14.029 -24.481 1.00 0.00 C ATOM 1322 OG1 THR A 88 -9.358 -14.276 -25.868 1.00 0.00 O ATOM 1323 CG2 THR A 88 -9.183 -12.535 -24.204 1.00 0.00 C ATOM 0 H THR A 88 -7.046 -13.862 -25.937 1.00 0.00 H new ATOM 0 HA THR A 88 -7.445 -14.193 -23.112 1.00 0.00 H new ATOM 0 HB THR A 88 -9.860 -14.534 -23.879 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.884 -15.087 -26.148 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.168 -12.163 -24.488 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.019 -12.353 -23.142 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.419 -12.017 -24.784 1.00 0.00 H new ATOM 1331 N VAL A 89 -7.697 -16.645 -22.809 1.00 0.00 N ATOM 1332 CA VAL A 89 -7.759 -18.088 -22.605 1.00 0.00 C ATOM 1333 C VAL A 89 -9.005 -18.479 -21.819 1.00 0.00 C ATOM 1334 O VAL A 89 -9.207 -18.028 -20.691 1.00 0.00 O ATOM 1335 CB VAL A 89 -6.513 -18.603 -21.861 1.00 0.00 C ATOM 1336 CG1 VAL A 89 -5.946 -17.521 -20.956 1.00 0.00 C ATOM 1337 CG2 VAL A 89 -6.849 -19.855 -21.064 1.00 0.00 C ATOM 0 H VAL A 89 -7.569 -16.103 -21.954 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.798 -18.546 -23.593 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.752 -18.862 -22.597 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.066 -17.904 -20.439 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.666 -16.655 -21.556 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.698 -17.228 -20.224 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.957 -20.206 -20.544 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.627 -19.625 -20.336 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.204 -20.632 -21.740 1.00 0.00 H new ATOM 1347 N TRP A 90 -9.838 -19.320 -22.422 1.00 0.00 N ATOM 1348 CA TRP A 90 -11.066 -19.772 -21.777 1.00 0.00 C ATOM 1349 C TRP A 90 -10.895 -21.175 -21.204 1.00 0.00 C ATOM 1350 O TRP A 90 -10.211 -22.016 -21.789 1.00 0.00 O ATOM 1351 CB TRP A 90 -12.226 -19.754 -22.774 1.00 0.00 C ATOM 1352 CG TRP A 90 -12.322 -18.475 -23.550 1.00 0.00 C ATOM 1353 CD1 TRP A 90 -11.406 -17.983 -24.436 1.00 0.00 C ATOM 1354 CD2 TRP A 90 -13.392 -17.525 -23.508 1.00 0.00 C ATOM 1355 NE1 TRP A 90 -11.843 -16.785 -24.947 1.00 0.00 N ATOM 1356 CE2 TRP A 90 -13.059 -16.482 -24.394 1.00 0.00 C ATOM 1357 CE3 TRP A 90 -14.601 -17.455 -22.810 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 -13.890 -15.384 -24.598 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 -15.425 -16.365 -23.013 1.00 0.00 C ATOM 1360 CH2 TRP A 90 -15.067 -15.342 -23.901 1.00 0.00 C ATOM 0 H TRP A 90 -9.686 -19.702 -23.355 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.289 -19.089 -20.957 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -12.111 -20.585 -23.470 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -13.160 -19.916 -22.236 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -10.475 -18.465 -24.696 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -11.343 -16.214 -25.628 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -14.886 -18.239 -22.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -13.616 -14.594 -25.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -16.361 -16.300 -22.478 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.733 -14.503 -24.038 1.00 0.00 H new ATOM 1371 N HIS A 91 -11.519 -21.421 -20.057 1.00 0.00 N ATOM 1372 CA HIS A 91 -11.436 -22.723 -19.405 1.00 0.00 C ATOM 1373 C HIS A 91 -11.801 -23.841 -20.376 1.00 0.00 C ATOM 1374 O HIS A 91 -12.687 -23.683 -21.217 1.00 0.00 O ATOM 1375 CB HIS A 91 -12.359 -22.767 -18.187 1.00 0.00 C ATOM 1376 CG HIS A 91 -11.834 -22.005 -17.010 1.00 0.00 C ATOM 1377 ND1 HIS A 91 -12.571 -21.047 -16.345 1.00 0.00 N ATOM 1378 CD2 HIS A 91 -10.639 -22.064 -16.378 1.00 0.00 C ATOM 1379 CE1 HIS A 91 -11.850 -20.549 -15.356 1.00 0.00 C ATOM 1380 NE2 HIS A 91 -10.674 -21.149 -15.354 1.00 0.00 N ATOM 0 H HIS A 91 -12.088 -20.736 -19.560 1.00 0.00 H new ATOM 0 HA HIS A 91 -10.407 -22.873 -19.077 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.333 -22.364 -18.465 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -12.515 -23.806 -17.897 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -13.523 -20.767 -16.580 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.812 -22.710 -16.631 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -12.169 -19.781 -14.666 1.00 0.00 H new ATOM 1388 N LYS A 92 -11.114 -24.972 -20.256 1.00 0.00 N ATOM 1389 CA LYS A 92 -11.365 -26.117 -21.122 1.00 0.00 C ATOM 1390 C LYS A 92 -12.863 -26.364 -21.276 1.00 0.00 C ATOM 1391 O LYS A 92 -13.314 -26.883 -22.297 1.00 0.00 O ATOM 1392 CB LYS A 92 -10.687 -27.368 -20.559 1.00 0.00 C ATOM 1393 CG LYS A 92 -10.581 -28.505 -21.559 1.00 0.00 C ATOM 1394 CD LYS A 92 -9.431 -28.290 -22.529 1.00 0.00 C ATOM 1395 CE LYS A 92 -9.625 -29.087 -23.810 1.00 0.00 C ATOM 1396 NZ LYS A 92 -8.489 -28.904 -24.755 1.00 0.00 N ATOM 0 H LYS A 92 -10.378 -25.120 -19.566 1.00 0.00 H new ATOM 0 HA LYS A 92 -10.947 -25.896 -22.104 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.687 -27.105 -20.214 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.245 -27.712 -19.688 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -10.439 -29.446 -21.028 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.515 -28.591 -22.114 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.349 -27.230 -22.768 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.494 -28.583 -22.055 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.729 -30.145 -23.567 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.552 -28.778 -24.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.659 -29.463 -25.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -8.405 -27.898 -25.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.608 -29.222 -24.304 1.00 0.00 H new ATOM 1410 N ASP A 93 -13.627 -25.988 -20.257 1.00 0.00 N ATOM 1411 CA ASP A 93 -15.075 -26.167 -20.280 1.00 0.00 C ATOM 1412 C ASP A 93 -15.761 -24.961 -20.915 1.00 0.00 C ATOM 1413 O ASP A 93 -16.622 -25.109 -21.783 1.00 0.00 O ATOM 1414 CB ASP A 93 -15.606 -26.384 -18.863 1.00 0.00 C ATOM 1415 CG ASP A 93 -17.088 -26.702 -18.842 1.00 0.00 C ATOM 1416 OD1 ASP A 93 -17.441 -27.895 -18.948 1.00 0.00 O ATOM 1417 OD2 ASP A 93 -17.896 -25.757 -18.720 1.00 0.00 O ATOM 0 H ASP A 93 -13.269 -25.557 -19.405 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.298 -27.048 -20.882 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -15.056 -27.199 -18.393 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.421 -25.490 -18.268 1.00 0.00 H new ATOM 1422 N CYS A 94 -15.374 -23.768 -20.476 1.00 0.00 N ATOM 1423 CA CYS A 94 -15.953 -22.536 -20.999 1.00 0.00 C ATOM 1424 C CYS A 94 -15.811 -22.471 -22.517 1.00 0.00 C ATOM 1425 O CYS A 94 -16.741 -22.080 -23.222 1.00 0.00 O ATOM 1426 CB CYS A 94 -15.279 -21.320 -20.359 1.00 0.00 C ATOM 1427 SG CYS A 94 -15.833 -20.971 -18.660 1.00 0.00 S ATOM 0 H CYS A 94 -14.662 -23.628 -19.759 1.00 0.00 H new ATOM 0 HA CYS A 94 -17.014 -22.527 -20.750 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -14.200 -21.477 -20.353 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -15.470 -20.444 -20.979 1.00 0.00 H new ATOM 0 HG CYS A 94 -15.205 -19.928 -18.205 1.00 0.00 H new ATOM 1432 N PHE A 95 -14.640 -22.856 -23.013 1.00 0.00 N ATOM 1433 CA PHE A 95 -14.375 -22.840 -24.447 1.00 0.00 C ATOM 1434 C PHE A 95 -15.177 -23.925 -25.160 1.00 0.00 C ATOM 1435 O PHE A 95 -14.906 -25.116 -25.005 1.00 0.00 O ATOM 1436 CB PHE A 95 -12.881 -23.036 -24.714 1.00 0.00 C ATOM 1437 CG PHE A 95 -12.450 -22.579 -26.078 1.00 0.00 C ATOM 1438 CD1 PHE A 95 -12.775 -23.316 -27.205 1.00 0.00 C ATOM 1439 CD2 PHE A 95 -11.720 -21.411 -26.233 1.00 0.00 C ATOM 1440 CE1 PHE A 95 -12.381 -22.898 -28.462 1.00 0.00 C ATOM 1441 CE2 PHE A 95 -11.323 -20.988 -27.487 1.00 0.00 C ATOM 1442 CZ PHE A 95 -11.653 -21.733 -28.603 1.00 0.00 C ATOM 0 H PHE A 95 -13.860 -23.183 -22.443 1.00 0.00 H new ATOM 0 HA PHE A 95 -14.682 -21.870 -24.837 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -12.311 -22.492 -23.961 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.635 -24.092 -24.599 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -13.343 -24.228 -27.100 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -11.459 -20.825 -25.364 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -12.642 -23.481 -29.333 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.755 -20.076 -27.595 1.00 0.00 H new ATOM 0 HZ PHE A 95 -11.342 -21.405 -29.584 1.00 0.00 H new