USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 430 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 Single : A 8 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 9 SER OG : rot 21:sc= 0.0209 USER MOD Single : A 10 TYR OH : rot 3:sc= 0.472 USER MOD Single : A 12 SER OG : rot 180:sc= 0.11 USER MOD Single : A 13 GLN : amide:sc= -0.147 K(o=-0.15,f=-2.9!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.136 USER MOD Single : A 20 MET CE :methyl -123:sc= -13.1! (180deg=-22!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -87:sc= 0.0503 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -21:sc= 0.196 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 130:sc= -1.06 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 157:sc= -0.287 (180deg=-1.75!) USER MOD Single : A 44 GLN : amide:sc= -0.71 K(o=-0.71,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0829 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -160:sc= -0.961 (180deg=-2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 5 0.688 -31.774 6.165 1.00 0.00 N ATOM 61 CA ASP A 5 -0.134 -31.365 7.342 1.00 0.00 C ATOM 62 C ASP A 5 -1.405 -30.648 6.877 1.00 0.00 C ATOM 63 O ASP A 5 -1.379 -29.485 6.531 1.00 0.00 O ATOM 64 CB ASP A 5 0.757 -30.409 8.134 1.00 0.00 C ATOM 65 CG ASP A 5 0.726 -30.790 9.616 1.00 0.00 C ATOM 66 OD1 ASP A 5 1.246 -31.842 9.949 1.00 0.00 O ATOM 67 OD2 ASP A 5 0.182 -30.022 10.393 1.00 0.00 O ATOM 0 HA ASP A 5 -0.451 -32.219 7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.779 -30.452 7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.413 -29.383 8.004 1.00 0.00 H new ATOM 72 N CYS A 6 -2.517 -31.332 6.870 1.00 0.00 N ATOM 73 CA CYS A 6 -3.784 -30.683 6.428 1.00 0.00 C ATOM 74 C CYS A 6 -4.503 -30.058 7.626 1.00 0.00 C ATOM 75 O CYS A 6 -4.608 -30.654 8.680 1.00 0.00 O ATOM 76 CB CYS A 6 -4.620 -31.810 5.826 1.00 0.00 C ATOM 77 SG CYS A 6 -3.603 -32.757 4.666 1.00 0.00 S ATOM 0 H CYS A 6 -2.603 -32.309 7.150 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.609 -29.881 5.710 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.994 -32.462 6.615 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.490 -31.399 5.313 1.00 0.00 H new ATOM 82 N CYS A 7 -4.988 -28.857 7.475 1.00 0.00 N ATOM 83 CA CYS A 7 -5.687 -28.186 8.603 1.00 0.00 C ATOM 84 C CYS A 7 -7.202 -28.390 8.509 1.00 0.00 C ATOM 85 O CYS A 7 -7.772 -28.412 7.435 1.00 0.00 O ATOM 86 CB CYS A 7 -5.336 -26.712 8.437 1.00 0.00 C ATOM 87 SG CYS A 7 -3.769 -26.374 9.277 1.00 0.00 S ATOM 0 H CYS A 7 -4.929 -28.311 6.616 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.386 -28.585 9.572 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.256 -26.462 7.379 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.127 -26.088 8.853 1.00 0.00 H new ATOM 92 N THR A 8 -7.858 -28.522 9.630 1.00 0.00 N ATOM 93 CA THR A 8 -9.337 -28.707 9.614 1.00 0.00 C ATOM 94 C THR A 8 -10.021 -27.385 9.978 1.00 0.00 C ATOM 95 O THR A 8 -11.199 -27.195 9.748 1.00 0.00 O ATOM 96 CB THR A 8 -9.621 -29.771 10.675 1.00 0.00 C ATOM 97 OG1 THR A 8 -8.904 -29.458 11.861 1.00 0.00 O ATOM 98 CG2 THR A 8 -9.182 -31.142 10.157 1.00 0.00 C ATOM 0 H THR A 8 -7.433 -28.510 10.557 1.00 0.00 H new ATOM 0 HA THR A 8 -9.711 -29.009 8.636 1.00 0.00 H new ATOM 0 HB THR A 8 -10.689 -29.793 10.891 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.086 -30.138 12.543 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.385 -31.899 10.914 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.734 -31.381 9.248 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.114 -31.124 9.939 1.00 0.00 H new ATOM 106 N SER A 9 -9.281 -26.470 10.543 1.00 0.00 N ATOM 107 CA SER A 9 -9.869 -25.153 10.923 1.00 0.00 C ATOM 108 C SER A 9 -8.871 -24.033 10.613 1.00 0.00 C ATOM 109 O SER A 9 -7.705 -24.121 10.942 1.00 0.00 O ATOM 110 CB SER A 9 -10.118 -25.248 12.430 1.00 0.00 C ATOM 111 OG SER A 9 -11.378 -25.862 12.664 1.00 0.00 O ATOM 0 H SER A 9 -8.290 -26.578 10.759 1.00 0.00 H new ATOM 0 HA SER A 9 -10.785 -24.931 10.376 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.326 -25.827 12.905 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.097 -24.254 12.876 1.00 0.00 H new ATOM 0 HG SER A 9 -11.641 -26.380 11.875 1.00 0.00 H new ATOM 117 N TYR A 10 -9.318 -22.984 9.980 1.00 0.00 N ATOM 118 CA TYR A 10 -8.390 -21.865 9.647 1.00 0.00 C ATOM 119 C TYR A 10 -8.367 -20.840 10.785 1.00 0.00 C ATOM 120 O TYR A 10 -9.104 -20.950 11.745 1.00 0.00 O ATOM 121 CB TYR A 10 -8.958 -21.255 8.366 1.00 0.00 C ATOM 122 CG TYR A 10 -9.034 -22.329 7.308 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.857 -22.905 6.814 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.278 -22.759 6.831 1.00 0.00 C ATOM 125 CE1 TYR A 10 -7.924 -23.911 5.842 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.346 -23.764 5.857 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.168 -24.340 5.363 1.00 0.00 C ATOM 128 OH TYR A 10 -9.234 -25.331 4.405 1.00 0.00 O ATOM 0 H TYR A 10 -10.284 -22.852 9.679 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.361 -22.199 9.512 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.948 -20.839 8.553 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.326 -20.434 8.026 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.898 -22.573 7.183 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.185 -22.316 7.214 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.016 -24.356 5.462 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.305 -24.094 5.487 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.331 -25.655 4.206 1.00 0.00 H new ATOM 138 N ILE A 11 -7.522 -19.849 10.691 1.00 0.00 N ATOM 139 CA ILE A 11 -7.454 -18.829 11.779 1.00 0.00 C ATOM 140 C ILE A 11 -8.747 -18.005 11.811 1.00 0.00 C ATOM 141 O ILE A 11 -9.555 -18.064 10.905 1.00 0.00 O ATOM 142 CB ILE A 11 -6.241 -17.941 11.449 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.617 -16.901 10.389 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.084 -18.797 10.929 1.00 0.00 C ATOM 145 CD1 ILE A 11 -6.858 -17.598 9.049 1.00 0.00 C ATOM 0 H ILE A 11 -6.879 -19.701 9.913 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.347 -19.288 12.762 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.931 -17.431 12.361 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.513 -16.362 10.696 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.820 -16.164 10.289 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.232 -18.157 10.699 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.798 -19.523 11.690 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.397 -19.322 10.027 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.125 -16.857 8.296 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.951 -18.117 8.741 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.670 -18.318 9.154 1.00 0.00 H new ATOM 157 N SER A 12 -8.948 -17.238 12.848 1.00 0.00 N ATOM 158 CA SER A 12 -10.187 -16.413 12.937 1.00 0.00 C ATOM 159 C SER A 12 -9.887 -14.964 12.544 1.00 0.00 C ATOM 160 O SER A 12 -10.758 -14.117 12.543 1.00 0.00 O ATOM 161 CB SER A 12 -10.620 -16.491 14.402 1.00 0.00 C ATOM 162 OG SER A 12 -9.546 -16.973 15.195 1.00 0.00 O ATOM 0 H SER A 12 -8.308 -17.147 13.637 1.00 0.00 H new ATOM 0 HA SER A 12 -10.967 -16.772 12.265 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.930 -15.506 14.752 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.482 -17.150 14.501 1.00 0.00 H new ATOM 0 HG SER A 12 -9.827 -17.020 16.133 1.00 0.00 H new ATOM 168 N GLN A 13 -8.661 -14.675 12.211 1.00 0.00 N ATOM 169 CA GLN A 13 -8.302 -13.282 11.818 1.00 0.00 C ATOM 170 C GLN A 13 -7.175 -13.303 10.786 1.00 0.00 C ATOM 171 O GLN A 13 -6.831 -14.337 10.247 1.00 0.00 O ATOM 172 CB GLN A 13 -7.837 -12.607 13.110 1.00 0.00 C ATOM 173 CG GLN A 13 -6.923 -13.557 13.888 1.00 0.00 C ATOM 174 CD GLN A 13 -5.970 -12.743 14.764 1.00 0.00 C ATOM 175 OE1 GLN A 13 -5.861 -11.543 14.611 1.00 0.00 O ATOM 176 NE2 GLN A 13 -5.267 -13.350 15.682 1.00 0.00 N ATOM 0 H GLN A 13 -7.890 -15.343 12.194 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.140 -12.752 11.365 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.306 -11.684 12.879 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.698 -12.335 13.720 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.519 -14.228 14.507 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.356 -14.181 13.197 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.358 -14.358 15.811 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.627 -12.816 16.270 1.00 0.00 H new ATOM 185 N SER A 14 -6.599 -12.169 10.504 1.00 0.00 N ATOM 186 CA SER A 14 -5.495 -12.124 9.504 1.00 0.00 C ATOM 187 C SER A 14 -4.326 -13.001 9.965 1.00 0.00 C ATOM 188 O SER A 14 -4.094 -13.170 11.146 1.00 0.00 O ATOM 189 CB SER A 14 -5.072 -10.655 9.447 1.00 0.00 C ATOM 190 OG SER A 14 -4.787 -10.297 8.103 1.00 0.00 O ATOM 0 H SER A 14 -6.844 -11.271 10.922 1.00 0.00 H new ATOM 0 HA SER A 14 -5.807 -12.497 8.529 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.865 -10.021 9.843 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.193 -10.494 10.072 1.00 0.00 H new ATOM 0 HG SER A 14 -4.518 -9.356 8.065 1.00 0.00 H new ATOM 196 N ILE A 15 -3.589 -13.557 9.042 1.00 0.00 N ATOM 197 CA ILE A 15 -2.436 -14.420 9.428 1.00 0.00 C ATOM 198 C ILE A 15 -1.308 -13.554 10.003 1.00 0.00 C ATOM 199 O ILE A 15 -0.986 -12.517 9.461 1.00 0.00 O ATOM 200 CB ILE A 15 -1.996 -15.089 8.127 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.051 -16.109 7.699 1.00 0.00 C ATOM 202 CG2 ILE A 15 -0.661 -15.800 8.344 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.026 -17.300 8.659 1.00 0.00 C ATOM 0 H ILE A 15 -3.735 -13.451 8.038 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.696 -15.153 10.192 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.882 -14.333 7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.039 -15.649 7.699 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.856 -16.445 6.680 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.348 -16.277 7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.092 -15.074 8.651 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.774 -16.557 9.121 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.778 -18.028 8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.040 -17.765 8.636 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.242 -16.956 9.671 1.00 0.00 H new ATOM 215 N PRO A 16 -0.760 -14.007 11.098 1.00 0.00 N ATOM 216 CA PRO A 16 0.331 -13.261 11.775 1.00 0.00 C ATOM 217 C PRO A 16 1.672 -13.454 11.056 1.00 0.00 C ATOM 218 O PRO A 16 2.564 -14.103 11.561 1.00 0.00 O ATOM 219 CB PRO A 16 0.378 -13.886 13.164 1.00 0.00 C ATOM 220 CG PRO A 16 -0.179 -15.266 12.997 1.00 0.00 C ATOM 221 CD PRO A 16 -1.104 -15.245 11.805 1.00 0.00 C ATOM 0 HA PRO A 16 0.154 -12.185 11.789 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.398 -13.918 13.547 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.211 -13.308 13.875 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.624 -15.987 12.845 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.717 -15.572 13.894 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.955 -16.119 11.171 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.150 -15.249 12.113 1.00 0.00 H new ATOM 229 N CYS A 17 1.830 -12.885 9.894 1.00 0.00 N ATOM 230 CA CYS A 17 3.126 -13.030 9.165 1.00 0.00 C ATOM 231 C CYS A 17 4.257 -12.364 9.947 1.00 0.00 C ATOM 232 O CYS A 17 5.423 -12.582 9.682 1.00 0.00 O ATOM 233 CB CYS A 17 2.921 -12.315 7.838 1.00 0.00 C ATOM 234 SG CYS A 17 3.163 -13.494 6.488 1.00 0.00 S ATOM 0 H CYS A 17 1.122 -12.327 9.417 1.00 0.00 H new ATOM 0 HA CYS A 17 3.399 -14.077 9.032 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.919 -11.890 7.791 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.623 -11.487 7.745 1.00 0.00 H new ATOM 239 N SER A 18 3.921 -11.546 10.904 1.00 0.00 N ATOM 240 CA SER A 18 4.967 -10.851 11.701 1.00 0.00 C ATOM 241 C SER A 18 5.809 -11.854 12.494 1.00 0.00 C ATOM 242 O SER A 18 6.783 -11.496 13.127 1.00 0.00 O ATOM 243 CB SER A 18 4.189 -9.934 12.643 1.00 0.00 C ATOM 244 OG SER A 18 2.973 -9.534 12.028 1.00 0.00 O ATOM 0 H SER A 18 2.961 -11.328 11.169 1.00 0.00 H new ATOM 0 HA SER A 18 5.665 -10.301 11.070 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.981 -10.451 13.579 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.788 -9.058 12.890 1.00 0.00 H new ATOM 0 HG SER A 18 2.476 -8.947 12.636 1.00 0.00 H new ATOM 250 N LEU A 19 5.453 -13.107 12.462 1.00 0.00 N ATOM 251 CA LEU A 19 6.247 -14.123 13.210 1.00 0.00 C ATOM 252 C LEU A 19 6.361 -15.417 12.398 1.00 0.00 C ATOM 253 O LEU A 19 6.894 -16.404 12.866 1.00 0.00 O ATOM 254 CB LEU A 19 5.479 -14.367 14.513 1.00 0.00 C ATOM 255 CG LEU A 19 3.974 -14.398 14.235 1.00 0.00 C ATOM 256 CD1 LEU A 19 3.331 -15.537 15.027 1.00 0.00 C ATOM 257 CD2 LEU A 19 3.350 -13.067 14.660 1.00 0.00 C ATOM 0 H LEU A 19 4.649 -13.472 11.952 1.00 0.00 H new ATOM 0 HA LEU A 19 7.264 -13.781 13.402 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.794 -15.310 14.960 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.708 -13.581 15.233 1.00 0.00 H new ATOM 0 HG LEU A 19 3.805 -14.556 13.170 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.259 -15.558 14.829 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.775 -16.486 14.725 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.500 -15.380 16.092 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.278 -13.088 14.462 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.520 -12.909 15.725 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.807 -12.254 14.096 1.00 0.00 H new ATOM 269 N MET A 20 5.881 -15.425 11.180 1.00 0.00 N ATOM 270 CA MET A 20 5.988 -16.664 10.355 1.00 0.00 C ATOM 271 C MET A 20 7.264 -16.617 9.512 1.00 0.00 C ATOM 272 O MET A 20 7.577 -15.619 8.894 1.00 0.00 O ATOM 273 CB MET A 20 4.751 -16.687 9.449 1.00 0.00 C ATOM 274 CG MET A 20 3.488 -16.394 10.268 1.00 0.00 C ATOM 275 SD MET A 20 2.743 -17.951 10.809 1.00 0.00 S ATOM 276 CE MET A 20 1.016 -17.415 10.726 1.00 0.00 C ATOM 0 H MET A 20 5.424 -14.635 10.725 1.00 0.00 H new ATOM 0 HA MET A 20 6.035 -17.558 10.977 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.859 -15.947 8.656 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.663 -17.661 8.967 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.737 -15.778 11.132 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.776 -15.827 9.668 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.546 -17.549 11.700 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.975 -16.363 10.445 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.486 -18.010 9.982 1.00 0.00 H new ATOM 286 N LYS A 21 8.008 -17.686 9.493 1.00 0.00 N ATOM 287 CA LYS A 21 9.272 -17.708 8.703 1.00 0.00 C ATOM 288 C LYS A 21 9.028 -18.250 7.289 1.00 0.00 C ATOM 289 O LYS A 21 9.633 -17.801 6.338 1.00 0.00 O ATOM 290 CB LYS A 21 10.202 -18.640 9.476 1.00 0.00 C ATOM 291 CG LYS A 21 11.408 -18.990 8.603 1.00 0.00 C ATOM 292 CD LYS A 21 12.105 -17.703 8.158 1.00 0.00 C ATOM 293 CE LYS A 21 13.599 -17.794 8.479 1.00 0.00 C ATOM 294 NZ LYS A 21 14.281 -17.680 7.159 1.00 0.00 N ATOM 0 H LYS A 21 7.795 -18.550 9.992 1.00 0.00 H new ATOM 0 HA LYS A 21 9.691 -16.709 8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.533 -18.160 10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.670 -19.547 9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.103 -19.619 9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.087 -19.562 7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.961 -17.550 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.665 -16.844 8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.908 -16.996 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.841 -18.737 8.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.311 -17.734 7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.972 -18.457 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.037 -16.770 6.719 1.00 0.00 H new ATOM 308 N SER A 22 8.158 -19.214 7.139 1.00 0.00 N ATOM 309 CA SER A 22 7.906 -19.769 5.775 1.00 0.00 C ATOM 310 C SER A 22 6.620 -20.602 5.756 1.00 0.00 C ATOM 311 O SER A 22 6.468 -21.541 6.510 1.00 0.00 O ATOM 312 CB SER A 22 9.119 -20.652 5.480 1.00 0.00 C ATOM 313 OG SER A 22 9.135 -20.991 4.101 1.00 0.00 O ATOM 0 H SER A 22 7.616 -19.638 7.892 1.00 0.00 H new ATOM 0 HA SER A 22 7.777 -18.982 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.037 -20.128 5.747 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.080 -21.556 6.087 1.00 0.00 H new ATOM 0 HG SER A 22 9.913 -21.555 3.912 1.00 0.00 H new ATOM 319 N TYR A 23 5.697 -20.266 4.899 1.00 0.00 N ATOM 320 CA TYR A 23 4.422 -21.039 4.830 1.00 0.00 C ATOM 321 C TYR A 23 4.513 -22.120 3.745 1.00 0.00 C ATOM 322 O TYR A 23 5.423 -22.129 2.941 1.00 0.00 O ATOM 323 CB TYR A 23 3.353 -20.002 4.475 1.00 0.00 C ATOM 324 CG TYR A 23 3.468 -19.637 3.013 1.00 0.00 C ATOM 325 CD1 TYR A 23 2.827 -20.417 2.043 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.219 -18.520 2.628 1.00 0.00 C ATOM 327 CE1 TYR A 23 2.938 -20.081 0.688 1.00 0.00 C ATOM 328 CE2 TYR A 23 4.330 -18.183 1.273 1.00 0.00 C ATOM 329 CZ TYR A 23 3.689 -18.964 0.304 1.00 0.00 C ATOM 330 OH TYR A 23 3.799 -18.632 -1.031 1.00 0.00 O ATOM 0 H TYR A 23 5.769 -19.489 4.242 1.00 0.00 H new ATOM 0 HA TYR A 23 4.197 -21.553 5.765 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.361 -20.402 4.684 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.475 -19.113 5.093 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.247 -21.278 2.340 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.713 -17.918 3.376 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.444 -20.683 -0.060 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.910 -17.321 0.976 1.00 0.00 H new ATOM 0 HH TYR A 23 4.354 -17.830 -1.124 1.00 0.00 H new ATOM 340 N PHE A 24 3.572 -23.027 3.711 1.00 0.00 N ATOM 341 CA PHE A 24 3.606 -24.095 2.671 1.00 0.00 C ATOM 342 C PHE A 24 2.181 -24.530 2.319 1.00 0.00 C ATOM 343 O PHE A 24 1.296 -24.518 3.150 1.00 0.00 O ATOM 344 CB PHE A 24 4.399 -25.248 3.302 1.00 0.00 C ATOM 345 CG PHE A 24 3.515 -26.044 4.236 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.571 -26.941 3.717 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.646 -25.893 5.623 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.761 -27.683 4.583 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.834 -26.636 6.488 1.00 0.00 C ATOM 350 CZ PHE A 24 1.891 -27.530 5.969 1.00 0.00 C ATOM 0 H PHE A 24 2.784 -23.074 4.357 1.00 0.00 H new ATOM 0 HA PHE A 24 4.068 -23.758 1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.792 -25.898 2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.255 -24.853 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.469 -27.059 2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.374 -25.203 6.025 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.035 -28.375 4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.935 -26.519 7.557 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.264 -28.102 6.637 1.00 0.00 H new ATOM 360 N GLU A 25 1.952 -24.914 1.093 1.00 0.00 N ATOM 361 CA GLU A 25 0.583 -25.346 0.694 1.00 0.00 C ATOM 362 C GLU A 25 0.428 -26.852 0.913 1.00 0.00 C ATOM 363 O GLU A 25 1.339 -27.621 0.678 1.00 0.00 O ATOM 364 CB GLU A 25 0.476 -25.002 -0.791 1.00 0.00 C ATOM 365 CG GLU A 25 0.655 -23.495 -0.979 1.00 0.00 C ATOM 366 CD GLU A 25 1.800 -23.234 -1.959 1.00 0.00 C ATOM 367 OE1 GLU A 25 2.859 -23.808 -1.768 1.00 0.00 O ATOM 368 OE2 GLU A 25 1.599 -22.462 -2.883 1.00 0.00 O ATOM 0 H GLU A 25 2.652 -24.947 0.352 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.196 -24.857 1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.235 -25.543 -1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.493 -25.315 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.267 -23.053 -1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.868 -23.021 -0.021 1.00 0.00 H new ATOM 375 N THR A 26 -0.718 -27.279 1.366 1.00 0.00 N ATOM 376 CA THR A 26 -0.925 -28.736 1.606 1.00 0.00 C ATOM 377 C THR A 26 -1.131 -29.469 0.278 1.00 0.00 C ATOM 378 O THR A 26 -1.066 -28.883 -0.784 1.00 0.00 O ATOM 379 CB THR A 26 -2.188 -28.822 2.463 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.251 -28.139 1.811 1.00 0.00 O ATOM 381 CG2 THR A 26 -1.928 -28.179 3.825 1.00 0.00 C ATOM 0 H THR A 26 -1.519 -26.684 1.580 1.00 0.00 H new ATOM 0 HA THR A 26 -0.067 -29.198 2.095 1.00 0.00 H new ATOM 0 HB THR A 26 -2.460 -29.868 2.603 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.224 -27.189 2.049 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.829 -28.241 4.435 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.114 -28.704 4.326 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.655 -27.133 3.687 1.00 0.00 H new ATOM 389 N SER A 27 -1.383 -30.747 0.333 1.00 0.00 N ATOM 390 CA SER A 27 -1.598 -31.520 -0.924 1.00 0.00 C ATOM 391 C SER A 27 -3.096 -31.640 -1.218 1.00 0.00 C ATOM 392 O SER A 27 -3.904 -31.774 -0.321 1.00 0.00 O ATOM 393 CB SER A 27 -0.994 -32.897 -0.650 1.00 0.00 C ATOM 394 OG SER A 27 0.303 -32.744 -0.092 1.00 0.00 O ATOM 0 H SER A 27 -1.450 -31.291 1.194 1.00 0.00 H new ATOM 0 HA SER A 27 -1.141 -31.040 -1.789 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.632 -33.456 0.035 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.938 -33.472 -1.575 1.00 0.00 H new ATOM 0 HG SER A 27 0.689 -33.627 0.085 1.00 0.00 H new ATOM 400 N SER A 28 -3.470 -31.595 -2.466 1.00 0.00 N ATOM 401 CA SER A 28 -4.916 -31.708 -2.816 1.00 0.00 C ATOM 402 C SER A 28 -5.429 -33.120 -2.520 1.00 0.00 C ATOM 403 O SER A 28 -6.603 -33.405 -2.652 1.00 0.00 O ATOM 404 CB SER A 28 -4.983 -31.415 -4.314 1.00 0.00 C ATOM 405 OG SER A 28 -6.313 -31.606 -4.776 1.00 0.00 O ATOM 0 H SER A 28 -2.838 -31.485 -3.259 1.00 0.00 H new ATOM 0 HA SER A 28 -5.534 -31.022 -2.237 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.662 -30.392 -4.510 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.301 -32.072 -4.855 1.00 0.00 H new ATOM 0 HG SER A 28 -6.799 -32.179 -4.147 1.00 0.00 H new ATOM 411 N GLU A 29 -4.558 -34.005 -2.123 1.00 0.00 N ATOM 412 CA GLU A 29 -4.993 -35.399 -1.821 1.00 0.00 C ATOM 413 C GLU A 29 -5.773 -35.444 -0.503 1.00 0.00 C ATOM 414 O GLU A 29 -6.559 -36.341 -0.268 1.00 0.00 O ATOM 415 CB GLU A 29 -3.694 -36.198 -1.703 1.00 0.00 C ATOM 416 CG GLU A 29 -3.954 -37.655 -2.091 1.00 0.00 C ATOM 417 CD GLU A 29 -4.557 -38.399 -0.899 1.00 0.00 C ATOM 418 OE1 GLU A 29 -4.694 -37.788 0.149 1.00 0.00 O ATOM 419 OE2 GLU A 29 -4.871 -39.568 -1.053 1.00 0.00 O ATOM 0 H GLU A 29 -3.562 -33.824 -1.994 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.654 -35.800 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.930 -35.769 -2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.313 -36.145 -0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.632 -37.700 -2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.024 -38.132 -2.399 1.00 0.00 H new ATOM 426 N CYS A 30 -5.563 -34.486 0.358 1.00 0.00 N ATOM 427 CA CYS A 30 -6.296 -34.481 1.658 1.00 0.00 C ATOM 428 C CYS A 30 -7.769 -34.125 1.439 1.00 0.00 C ATOM 429 O CYS A 30 -8.120 -33.450 0.492 1.00 0.00 O ATOM 430 CB CYS A 30 -5.605 -33.407 2.497 1.00 0.00 C ATOM 431 SG CYS A 30 -4.852 -34.173 3.953 1.00 0.00 S ATOM 0 H CYS A 30 -4.918 -33.708 0.219 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.276 -35.456 2.145 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.843 -32.901 1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.326 -32.649 2.803 1.00 0.00 H new ATOM 436 N SER A 31 -8.634 -34.573 2.309 1.00 0.00 N ATOM 437 CA SER A 31 -10.083 -34.259 2.150 1.00 0.00 C ATOM 438 C SER A 31 -10.308 -32.748 2.218 1.00 0.00 C ATOM 439 O SER A 31 -11.367 -32.250 1.889 1.00 0.00 O ATOM 440 CB SER A 31 -10.773 -34.961 3.321 1.00 0.00 C ATOM 441 OG SER A 31 -11.912 -34.211 3.719 1.00 0.00 O ATOM 0 H SER A 31 -8.400 -35.142 3.122 1.00 0.00 H new ATOM 0 HA SER A 31 -10.475 -34.593 1.189 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.071 -35.968 3.030 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.081 -35.062 4.157 1.00 0.00 H new ATOM 0 HG SER A 31 -12.355 -34.662 4.468 1.00 0.00 H new ATOM 447 N LYS A 32 -9.318 -32.019 2.640 1.00 0.00 N ATOM 448 CA LYS A 32 -9.464 -30.538 2.729 1.00 0.00 C ATOM 449 C LYS A 32 -8.098 -29.864 2.581 1.00 0.00 C ATOM 450 O LYS A 32 -7.232 -30.028 3.417 1.00 0.00 O ATOM 451 CB LYS A 32 -10.042 -30.281 4.121 1.00 0.00 C ATOM 452 CG LYS A 32 -11.382 -29.554 3.990 1.00 0.00 C ATOM 453 CD LYS A 32 -12.254 -29.866 5.208 1.00 0.00 C ATOM 454 CE LYS A 32 -13.285 -28.751 5.393 1.00 0.00 C ATOM 455 NZ LYS A 32 -14.441 -29.408 6.066 1.00 0.00 N ATOM 0 H LYS A 32 -8.410 -32.383 2.929 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.103 -30.136 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.178 -31.224 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.347 -29.682 4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.218 -28.479 3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.889 -29.866 3.077 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.757 -30.823 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.634 -29.955 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.884 -27.938 5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.578 -28.320 4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.192 -28.707 6.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.805 -30.173 5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.133 -29.803 6.978 1.00 0.00 H new ATOM 469 N PRO A 33 -7.950 -29.122 1.516 1.00 0.00 N ATOM 470 CA PRO A 33 -6.674 -28.413 1.256 1.00 0.00 C ATOM 471 C PRO A 33 -6.497 -27.249 2.231 1.00 0.00 C ATOM 472 O PRO A 33 -7.328 -27.008 3.085 1.00 0.00 O ATOM 473 CB PRO A 33 -6.829 -27.903 -0.172 1.00 0.00 C ATOM 474 CG PRO A 33 -8.306 -27.809 -0.390 1.00 0.00 C ATOM 475 CD PRO A 33 -8.945 -28.873 0.467 1.00 0.00 C ATOM 0 HA PRO A 33 -5.800 -29.051 1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.349 -26.933 -0.299 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.367 -28.584 -0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.674 -26.820 -0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.551 -27.961 -1.441 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.892 -28.533 0.886 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.156 -29.776 -0.107 1.00 0.00 H new ATOM 483 N GLY A 34 -5.422 -26.525 2.106 1.00 0.00 N ATOM 484 CA GLY A 34 -5.190 -25.375 3.022 1.00 0.00 C ATOM 485 C GLY A 34 -3.691 -25.091 3.114 1.00 0.00 C ATOM 486 O GLY A 34 -2.871 -25.965 2.921 1.00 0.00 O ATOM 0 H GLY A 34 -4.693 -26.679 1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.716 -24.493 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.590 -25.598 4.011 1.00 0.00 H new ATOM 490 N VAL A 35 -3.327 -23.876 3.411 1.00 0.00 N ATOM 491 CA VAL A 35 -1.879 -23.535 3.520 1.00 0.00 C ATOM 492 C VAL A 35 -1.519 -23.259 4.980 1.00 0.00 C ATOM 493 O VAL A 35 -2.131 -22.441 5.637 1.00 0.00 O ATOM 494 CB VAL A 35 -1.702 -22.274 2.672 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.805 -21.271 3.012 1.00 0.00 C ATOM 496 CG2 VAL A 35 -0.337 -21.651 2.966 1.00 0.00 C ATOM 0 H VAL A 35 -3.969 -23.102 3.583 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.233 -24.344 3.179 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.763 -22.535 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.679 -20.373 2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.778 -21.715 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.746 -21.009 4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.210 -20.752 2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.276 -21.390 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.449 -22.366 2.723 1.00 0.00 H new ATOM 506 N ILE A 36 -0.534 -23.940 5.496 1.00 0.00 N ATOM 507 CA ILE A 36 -0.141 -23.720 6.916 1.00 0.00 C ATOM 508 C ILE A 36 1.128 -22.866 6.985 1.00 0.00 C ATOM 509 O ILE A 36 2.102 -23.137 6.314 1.00 0.00 O ATOM 510 CB ILE A 36 0.127 -25.122 7.471 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.202 -25.795 7.815 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.991 -25.024 8.734 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.939 -27.050 8.649 1.00 0.00 C ATOM 0 H ILE A 36 0.016 -24.639 4.996 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.910 -23.195 7.483 1.00 0.00 H new ATOM 0 HB ILE A 36 0.653 -25.712 6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.839 -25.105 8.369 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.736 -26.058 6.902 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.179 -26.024 9.125 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.940 -24.546 8.490 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.470 -24.432 9.486 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.887 -27.529 8.894 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.319 -27.742 8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.424 -26.774 9.569 1.00 0.00 H new ATOM 525 N PHE A 37 1.137 -21.853 7.804 1.00 0.00 N ATOM 526 CA PHE A 37 2.361 -21.013 7.916 1.00 0.00 C ATOM 527 C PHE A 37 3.255 -21.577 9.021 1.00 0.00 C ATOM 528 O PHE A 37 2.791 -21.907 10.094 1.00 0.00 O ATOM 529 CB PHE A 37 1.871 -19.611 8.286 1.00 0.00 C ATOM 530 CG PHE A 37 1.104 -19.011 7.130 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.120 -19.567 6.743 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.612 -17.894 6.446 1.00 0.00 C ATOM 533 CE1 PHE A 37 -0.838 -19.010 5.679 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.893 -17.341 5.380 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.332 -17.899 4.997 1.00 0.00 C ATOM 0 H PHE A 37 0.356 -21.571 8.397 1.00 0.00 H new ATOM 0 HA PHE A 37 2.940 -20.995 6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.234 -19.660 9.169 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.719 -18.975 8.540 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.511 -20.427 7.266 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.557 -17.462 6.742 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.784 -19.439 5.384 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.284 -16.483 4.853 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.887 -17.472 4.175 1.00 0.00 H new ATOM 545 N LEU A 38 4.530 -21.689 8.777 1.00 0.00 N ATOM 546 CA LEU A 38 5.432 -22.232 9.829 1.00 0.00 C ATOM 547 C LEU A 38 6.111 -21.076 10.554 1.00 0.00 C ATOM 548 O LEU A 38 6.778 -20.265 9.950 1.00 0.00 O ATOM 549 CB LEU A 38 6.462 -23.084 9.088 1.00 0.00 C ATOM 550 CG LEU A 38 5.773 -24.314 8.491 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.828 -25.275 7.940 1.00 0.00 C ATOM 552 CD2 LEU A 38 4.959 -25.018 9.579 1.00 0.00 C ATOM 0 H LEU A 38 4.984 -21.430 7.901 1.00 0.00 H new ATOM 0 HA LEU A 38 4.898 -22.821 10.574 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.933 -22.499 8.298 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.253 -23.393 9.771 1.00 0.00 H new ATOM 0 HG LEU A 38 5.110 -24.003 7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.336 -26.150 7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.408 -24.773 7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.492 -25.587 8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.467 -25.894 9.156 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.622 -25.328 10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.207 -24.334 9.971 1.00 0.00 H new ATOM 564 N THR A 39 5.929 -20.987 11.841 1.00 0.00 N ATOM 565 CA THR A 39 6.547 -19.870 12.606 1.00 0.00 C ATOM 566 C THR A 39 7.937 -20.266 13.100 1.00 0.00 C ATOM 567 O THR A 39 8.195 -21.411 13.411 1.00 0.00 O ATOM 568 CB THR A 39 5.610 -19.634 13.794 1.00 0.00 C ATOM 569 OG1 THR A 39 5.835 -20.637 14.775 1.00 0.00 O ATOM 570 CG2 THR A 39 4.155 -19.695 13.326 1.00 0.00 C ATOM 0 H THR A 39 5.378 -21.641 12.397 1.00 0.00 H new ATOM 0 HA THR A 39 6.669 -18.976 11.995 1.00 0.00 H new ATOM 0 HB THR A 39 5.808 -18.651 14.221 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.961 -20.216 15.651 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.492 -19.527 14.175 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.983 -18.926 12.573 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.952 -20.676 12.896 1.00 0.00 H new ATOM 578 N LYS A 40 8.832 -19.323 13.175 1.00 0.00 N ATOM 579 CA LYS A 40 10.208 -19.638 13.652 1.00 0.00 C ATOM 580 C LYS A 40 10.165 -20.063 15.123 1.00 0.00 C ATOM 581 O LYS A 40 11.020 -20.785 15.595 1.00 0.00 O ATOM 582 CB LYS A 40 10.990 -18.333 13.491 1.00 0.00 C ATOM 583 CG LYS A 40 12.461 -18.651 13.221 1.00 0.00 C ATOM 584 CD LYS A 40 13.341 -17.592 13.890 1.00 0.00 C ATOM 585 CE LYS A 40 14.804 -18.033 13.832 1.00 0.00 C ATOM 586 NZ LYS A 40 15.567 -16.898 14.423 1.00 0.00 N ATOM 0 H LYS A 40 8.671 -18.347 12.927 1.00 0.00 H new ATOM 0 HA LYS A 40 10.666 -20.456 13.096 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.577 -17.748 12.670 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.897 -17.727 14.392 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.707 -19.641 13.606 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.649 -18.671 12.148 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.219 -16.632 13.387 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.034 -17.450 14.926 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.963 -18.952 14.396 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.118 -18.229 12.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.582 -17.123 14.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.401 -16.038 13.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.251 -16.739 15.401 1.00 0.00 H new ATOM 600 N LYS A 41 9.174 -19.620 15.849 1.00 0.00 N ATOM 601 CA LYS A 41 9.073 -19.998 17.289 1.00 0.00 C ATOM 602 C LYS A 41 8.709 -21.477 17.427 1.00 0.00 C ATOM 603 O LYS A 41 8.725 -22.034 18.507 1.00 0.00 O ATOM 604 CB LYS A 41 7.960 -19.116 17.854 1.00 0.00 C ATOM 605 CG LYS A 41 8.498 -18.313 19.040 1.00 0.00 C ATOM 606 CD LYS A 41 7.783 -18.750 20.319 1.00 0.00 C ATOM 607 CE LYS A 41 8.393 -18.025 21.521 1.00 0.00 C ATOM 608 NZ LYS A 41 8.507 -16.603 21.089 1.00 0.00 N ATOM 0 H LYS A 41 8.429 -19.012 15.507 1.00 0.00 H new ATOM 0 HA LYS A 41 10.015 -19.855 17.818 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.589 -18.441 17.083 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.118 -19.732 18.170 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.572 -18.468 19.140 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.344 -17.247 18.871 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.719 -18.525 20.248 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.873 -19.829 20.448 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.761 -18.121 22.404 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.367 -18.439 21.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.536 -15.987 21.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.379 -16.477 20.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.686 -16.351 20.503 1.00 0.00 H new ATOM 622 N GLY A 42 8.384 -22.115 16.341 1.00 0.00 N ATOM 623 CA GLY A 42 8.021 -23.559 16.403 1.00 0.00 C ATOM 624 C GLY A 42 6.499 -23.705 16.497 1.00 0.00 C ATOM 625 O GLY A 42 5.978 -24.256 17.444 1.00 0.00 O ATOM 0 H GLY A 42 8.353 -21.700 15.410 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.392 -24.075 15.518 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.495 -24.026 17.266 1.00 0.00 H new ATOM 629 N ARG A 43 5.783 -23.218 15.520 1.00 0.00 N ATOM 630 CA ARG A 43 4.298 -23.333 15.555 1.00 0.00 C ATOM 631 C ARG A 43 3.743 -23.417 14.131 1.00 0.00 C ATOM 632 O ARG A 43 4.477 -23.336 13.166 1.00 0.00 O ATOM 633 CB ARG A 43 3.817 -22.056 16.245 1.00 0.00 C ATOM 634 CG ARG A 43 2.662 -22.391 17.191 1.00 0.00 C ATOM 635 CD ARG A 43 2.190 -21.115 17.890 1.00 0.00 C ATOM 636 NE ARG A 43 2.674 -21.246 19.293 1.00 0.00 N ATOM 637 CZ ARG A 43 2.524 -20.255 20.130 1.00 0.00 C ATOM 638 NH1 ARG A 43 1.334 -19.944 20.568 1.00 0.00 N ATOM 639 NH2 ARG A 43 3.564 -19.576 20.529 1.00 0.00 N ATOM 0 H ARG A 43 6.163 -22.746 14.700 1.00 0.00 H new ATOM 0 HA ARG A 43 3.964 -24.228 16.080 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.636 -21.600 16.801 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.493 -21.328 15.501 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.839 -22.839 16.634 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.984 -23.125 17.929 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.602 -20.227 17.411 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.105 -21.023 17.853 1.00 0.00 H new ATOM 0 HE ARG A 43 3.122 -22.109 19.600 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.521 -20.475 20.256 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.217 -19.170 21.222 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.494 -19.819 20.187 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.447 -18.802 21.183 1.00 0.00 H new ATOM 653 N GLN A 44 2.457 -23.580 13.989 1.00 0.00 N ATOM 654 CA GLN A 44 1.868 -23.668 12.624 1.00 0.00 C ATOM 655 C GLN A 44 0.464 -23.061 12.606 1.00 0.00 C ATOM 656 O GLN A 44 -0.354 -23.332 13.464 1.00 0.00 O ATOM 657 CB GLN A 44 1.808 -25.163 12.309 1.00 0.00 C ATOM 658 CG GLN A 44 3.194 -25.782 12.503 1.00 0.00 C ATOM 659 CD GLN A 44 3.282 -27.094 11.718 1.00 0.00 C ATOM 660 OE1 GLN A 44 3.070 -27.115 10.522 1.00 0.00 O ATOM 661 NE2 GLN A 44 3.589 -28.194 12.347 1.00 0.00 N ATOM 0 H GLN A 44 1.790 -23.656 14.757 1.00 0.00 H new ATOM 0 HA GLN A 44 2.458 -23.120 11.890 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.085 -25.654 12.960 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.470 -25.316 11.284 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.964 -25.090 12.162 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.377 -25.966 13.562 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.767 -28.175 13.351 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.651 -29.074 11.835 1.00 0.00 H new ATOM 670 N VAL A 45 0.179 -22.248 11.629 1.00 0.00 N ATOM 671 CA VAL A 45 -1.173 -21.626 11.542 1.00 0.00 C ATOM 672 C VAL A 45 -1.955 -22.265 10.394 1.00 0.00 C ATOM 673 O VAL A 45 -1.381 -22.742 9.436 1.00 0.00 O ATOM 674 CB VAL A 45 -0.912 -20.146 11.262 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.191 -19.493 10.734 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.484 -19.453 12.557 1.00 0.00 C ATOM 0 H VAL A 45 0.825 -21.986 10.884 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.760 -21.764 12.450 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.122 -20.050 10.518 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.005 -18.438 10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.499 -19.988 9.813 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.982 -19.588 11.478 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.297 -18.397 12.360 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.276 -19.549 13.300 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.426 -19.918 12.935 1.00 0.00 H new ATOM 686 N CYS A 46 -3.256 -22.285 10.478 1.00 0.00 N ATOM 687 CA CYS A 46 -4.054 -22.903 9.380 1.00 0.00 C ATOM 688 C CYS A 46 -4.741 -21.819 8.551 1.00 0.00 C ATOM 689 O CYS A 46 -5.407 -20.953 9.079 1.00 0.00 O ATOM 690 CB CYS A 46 -5.094 -23.778 10.082 1.00 0.00 C ATOM 691 SG CYS A 46 -4.277 -25.202 10.842 1.00 0.00 S ATOM 0 H CYS A 46 -3.799 -21.904 11.253 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.432 -23.481 8.697 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.618 -23.198 10.842 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.843 -24.115 9.366 1.00 0.00 H new ATOM 696 N ALA A 47 -4.590 -21.858 7.257 1.00 0.00 N ATOM 697 CA ALA A 47 -5.243 -20.825 6.408 1.00 0.00 C ATOM 698 C ALA A 47 -5.938 -21.478 5.211 1.00 0.00 C ATOM 699 O ALA A 47 -5.575 -22.551 4.778 1.00 0.00 O ATOM 700 CB ALA A 47 -4.104 -19.925 5.933 1.00 0.00 C ATOM 0 H ALA A 47 -4.045 -22.557 6.753 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.006 -20.270 6.954 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.505 -19.135 5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.607 -19.481 6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.386 -20.516 5.365 1.00 0.00 H new ATOM 706 N LYS A 48 -6.930 -20.829 4.672 1.00 0.00 N ATOM 707 CA LYS A 48 -7.645 -21.399 3.497 1.00 0.00 C ATOM 708 C LYS A 48 -6.801 -21.200 2.235 1.00 0.00 C ATOM 709 O LYS A 48 -5.713 -20.663 2.299 1.00 0.00 O ATOM 710 CB LYS A 48 -8.948 -20.604 3.405 1.00 0.00 C ATOM 711 CG LYS A 48 -10.135 -21.535 3.655 1.00 0.00 C ATOM 712 CD LYS A 48 -11.025 -20.942 4.749 1.00 0.00 C ATOM 713 CE LYS A 48 -11.769 -19.724 4.195 1.00 0.00 C ATOM 714 NZ LYS A 48 -12.851 -19.457 5.183 1.00 0.00 N ATOM 0 H LYS A 48 -7.278 -19.926 4.995 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.831 -22.469 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.946 -19.796 4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.036 -20.142 2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.708 -21.667 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.781 -22.521 3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.738 -21.689 5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.420 -20.652 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.104 -18.866 4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.178 -19.927 3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.408 -18.635 4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.471 -20.289 5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.431 -19.261 6.114 1.00 0.00 H new ATOM 728 N PRO A 49 -7.333 -21.633 1.125 1.00 0.00 N ATOM 729 CA PRO A 49 -6.614 -21.491 -0.165 1.00 0.00 C ATOM 730 C PRO A 49 -6.592 -20.023 -0.596 1.00 0.00 C ATOM 731 O PRO A 49 -5.656 -19.560 -1.216 1.00 0.00 O ATOM 732 CB PRO A 49 -7.438 -22.335 -1.130 1.00 0.00 C ATOM 733 CG PRO A 49 -8.809 -22.377 -0.533 1.00 0.00 C ATOM 734 CD PRO A 49 -8.637 -22.286 0.962 1.00 0.00 C ATOM 0 HA PRO A 49 -5.573 -21.810 -0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.455 -21.893 -2.126 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.021 -23.337 -1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.417 -21.551 -0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.322 -23.299 -0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.436 -21.704 1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.652 -23.272 1.427 1.00 0.00 H new ATOM 742 N SER A 50 -7.618 -19.287 -0.268 1.00 0.00 N ATOM 743 CA SER A 50 -7.662 -17.848 -0.652 1.00 0.00 C ATOM 744 C SER A 50 -8.290 -17.019 0.473 1.00 0.00 C ATOM 745 O SER A 50 -9.107 -16.152 0.237 1.00 0.00 O ATOM 746 CB SER A 50 -8.534 -17.799 -1.906 1.00 0.00 C ATOM 747 OG SER A 50 -8.158 -18.849 -2.784 1.00 0.00 O ATOM 0 H SER A 50 -8.430 -19.621 0.251 1.00 0.00 H new ATOM 0 HA SER A 50 -6.668 -17.438 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.585 -17.896 -1.635 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.420 -16.836 -2.404 1.00 0.00 H new ATOM 0 HG SER A 50 -8.718 -18.819 -3.588 1.00 0.00 H new ATOM 753 N GLY A 51 -7.915 -17.283 1.696 1.00 0.00 N ATOM 754 CA GLY A 51 -8.491 -16.514 2.836 1.00 0.00 C ATOM 755 C GLY A 51 -7.957 -15.080 2.809 1.00 0.00 C ATOM 756 O GLY A 51 -6.836 -14.840 2.402 1.00 0.00 O ATOM 0 H GLY A 51 -7.235 -17.998 1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.579 -16.509 2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.230 -16.993 3.780 1.00 0.00 H new ATOM 760 N PRO A 52 -8.784 -14.171 3.250 1.00 0.00 N ATOM 761 CA PRO A 52 -8.400 -12.737 3.278 1.00 0.00 C ATOM 762 C PRO A 52 -7.281 -12.505 4.293 1.00 0.00 C ATOM 763 O PRO A 52 -7.498 -12.512 5.489 1.00 0.00 O ATOM 764 CB PRO A 52 -9.687 -12.031 3.698 1.00 0.00 C ATOM 765 CG PRO A 52 -10.470 -13.073 4.428 1.00 0.00 C ATOM 766 CD PRO A 52 -10.140 -14.387 3.769 1.00 0.00 C ATOM 0 HA PRO A 52 -8.017 -12.373 2.325 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.478 -11.173 4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.235 -11.658 2.833 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.204 -13.090 5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.539 -12.867 4.372 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.172 -15.213 4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.843 -14.625 2.971 1.00 0.00 H new ATOM 774 N GLY A 53 -6.082 -12.302 3.822 1.00 0.00 N ATOM 775 CA GLY A 53 -4.943 -12.073 4.751 1.00 0.00 C ATOM 776 C GLY A 53 -3.908 -13.184 4.567 1.00 0.00 C ATOM 777 O GLY A 53 -2.721 -12.964 4.688 1.00 0.00 O ATOM 0 H GLY A 53 -5.842 -12.285 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.489 -11.102 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.297 -12.057 5.782 1.00 0.00 H new ATOM 781 N VAL A 54 -4.347 -14.379 4.275 1.00 0.00 N ATOM 782 CA VAL A 54 -3.385 -15.504 4.081 1.00 0.00 C ATOM 783 C VAL A 54 -2.512 -15.256 2.851 1.00 0.00 C ATOM 784 O VAL A 54 -1.319 -15.473 2.874 1.00 0.00 O ATOM 785 CB VAL A 54 -4.254 -16.745 3.884 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.364 -17.936 3.527 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.015 -17.045 5.176 1.00 0.00 C ATOM 0 H VAL A 54 -5.330 -14.625 4.162 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.708 -15.613 4.928 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.966 -16.568 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.982 -18.823 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.821 -17.722 2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.653 -18.114 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.635 -17.930 5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.305 -17.224 5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.648 -16.195 5.431 1.00 0.00 H new ATOM 797 N GLN A 55 -3.095 -14.804 1.777 1.00 0.00 N ATOM 798 CA GLN A 55 -2.282 -14.547 0.556 1.00 0.00 C ATOM 799 C GLN A 55 -1.346 -13.373 0.813 1.00 0.00 C ATOM 800 O GLN A 55 -0.212 -13.362 0.377 1.00 0.00 O ATOM 801 CB GLN A 55 -3.293 -14.207 -0.540 1.00 0.00 C ATOM 802 CG GLN A 55 -2.725 -14.603 -1.904 1.00 0.00 C ATOM 803 CD GLN A 55 -3.397 -15.890 -2.384 1.00 0.00 C ATOM 804 OE1 GLN A 55 -4.272 -15.854 -3.226 1.00 0.00 O ATOM 805 NE2 GLN A 55 -3.021 -17.034 -1.880 1.00 0.00 N ATOM 0 H GLN A 55 -4.091 -14.603 1.691 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.666 -15.400 0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.231 -14.732 -0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.517 -13.140 -0.524 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.892 -13.803 -2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.647 -14.748 -1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.286 -17.063 -1.173 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.462 -17.899 -2.193 1.00 0.00 H new ATOM 814 N ASP A 56 -1.802 -12.393 1.539 1.00 0.00 N ATOM 815 CA ASP A 56 -0.923 -11.237 1.843 1.00 0.00 C ATOM 816 C ASP A 56 0.225 -11.710 2.731 1.00 0.00 C ATOM 817 O ASP A 56 1.336 -11.230 2.633 1.00 0.00 O ATOM 818 CB ASP A 56 -1.812 -10.242 2.584 1.00 0.00 C ATOM 819 CG ASP A 56 -2.187 -9.094 1.644 1.00 0.00 C ATOM 820 OD1 ASP A 56 -3.087 -9.282 0.841 1.00 0.00 O ATOM 821 OD2 ASP A 56 -1.568 -8.048 1.743 1.00 0.00 O ATOM 0 H ASP A 56 -2.742 -12.344 1.933 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.486 -10.786 0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.712 -10.740 2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.291 -9.854 3.459 1.00 0.00 H new ATOM 826 N CYS A 57 -0.030 -12.665 3.587 1.00 0.00 N ATOM 827 CA CYS A 57 1.057 -13.178 4.460 1.00 0.00 C ATOM 828 C CYS A 57 2.093 -13.903 3.599 1.00 0.00 C ATOM 829 O CYS A 57 3.284 -13.684 3.721 1.00 0.00 O ATOM 830 CB CYS A 57 0.381 -14.148 5.429 1.00 0.00 C ATOM 831 SG CYS A 57 1.587 -14.749 6.645 1.00 0.00 S ATOM 0 H CYS A 57 -0.940 -13.107 3.716 1.00 0.00 H new ATOM 0 HA CYS A 57 1.574 -12.383 4.998 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.445 -13.651 5.938 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.043 -14.988 4.879 1.00 0.00 H new ATOM 836 N MET A 58 1.645 -14.756 2.718 1.00 0.00 N ATOM 837 CA MET A 58 2.600 -15.483 1.840 1.00 0.00 C ATOM 838 C MET A 58 3.298 -14.490 0.910 1.00 0.00 C ATOM 839 O MET A 58 4.396 -14.726 0.448 1.00 0.00 O ATOM 840 CB MET A 58 1.741 -16.454 1.032 1.00 0.00 C ATOM 841 CG MET A 58 0.980 -17.382 1.982 1.00 0.00 C ATOM 842 SD MET A 58 -0.634 -17.782 1.268 1.00 0.00 S ATOM 843 CE MET A 58 -0.039 -18.879 -0.043 1.00 0.00 C ATOM 0 H MET A 58 0.661 -14.979 2.570 1.00 0.00 H new ATOM 0 HA MET A 58 3.374 -16.003 2.405 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.039 -15.901 0.408 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.370 -17.040 0.362 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.551 -18.295 2.151 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.852 -16.902 2.952 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.800 -18.965 -0.819 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.874 -18.469 -0.474 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.168 -19.865 0.373 1.00 0.00 H new ATOM 853 N LYS A 59 2.674 -13.372 0.643 1.00 0.00 N ATOM 854 CA LYS A 59 3.315 -12.364 -0.246 1.00 0.00 C ATOM 855 C LYS A 59 4.559 -11.805 0.444 1.00 0.00 C ATOM 856 O LYS A 59 5.624 -11.732 -0.134 1.00 0.00 O ATOM 857 CB LYS A 59 2.265 -11.271 -0.434 1.00 0.00 C ATOM 858 CG LYS A 59 2.256 -10.818 -1.896 1.00 0.00 C ATOM 859 CD LYS A 59 1.359 -11.750 -2.712 1.00 0.00 C ATOM 860 CE LYS A 59 1.173 -11.177 -4.119 1.00 0.00 C ATOM 861 NZ LYS A 59 -0.193 -10.581 -4.112 1.00 0.00 N ATOM 0 H LYS A 59 1.754 -13.116 1.001 1.00 0.00 H new ATOM 0 HA LYS A 59 3.629 -12.782 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.281 -11.645 -0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.484 -10.426 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.894 -9.792 -1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.269 -10.828 -2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.804 -12.743 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.392 -11.862 -2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.931 -10.426 -4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.261 -11.955 -4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.396 -10.167 -5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.893 -11.321 -3.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.244 -9.839 -3.385 1.00 0.00 H new ATOM 875 N LYS A 60 4.430 -11.422 1.685 1.00 0.00 N ATOM 876 CA LYS A 60 5.605 -10.882 2.421 1.00 0.00 C ATOM 877 C LYS A 60 6.621 -12.003 2.659 1.00 0.00 C ATOM 878 O LYS A 60 7.793 -11.757 2.867 1.00 0.00 O ATOM 879 CB LYS A 60 5.045 -10.370 3.749 1.00 0.00 C ATOM 880 CG LYS A 60 6.193 -9.866 4.627 1.00 0.00 C ATOM 881 CD LYS A 60 6.821 -8.626 3.986 1.00 0.00 C ATOM 882 CE LYS A 60 7.162 -7.608 5.076 1.00 0.00 C ATOM 883 NZ LYS A 60 8.250 -6.773 4.492 1.00 0.00 N ATOM 0 H LYS A 60 3.562 -11.460 2.219 1.00 0.00 H new ATOM 0 HA LYS A 60 6.117 -10.092 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.331 -9.566 3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.505 -11.167 4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.824 -9.625 5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.944 -10.647 4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.721 -8.903 3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.131 -8.187 3.266 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.294 -7.002 5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.491 -8.103 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.540 -6.049 5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.065 -7.377 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.906 -6.310 3.627 1.00 0.00 H new ATOM 897 N LEU A 61 6.182 -13.236 2.627 1.00 0.00 N ATOM 898 CA LEU A 61 7.130 -14.367 2.849 1.00 0.00 C ATOM 899 C LEU A 61 8.032 -14.543 1.624 1.00 0.00 C ATOM 900 O LEU A 61 8.960 -15.325 1.629 1.00 0.00 O ATOM 901 CB LEU A 61 6.241 -15.599 3.043 1.00 0.00 C ATOM 902 CG LEU A 61 6.900 -16.579 4.024 1.00 0.00 C ATOM 903 CD1 LEU A 61 8.403 -16.670 3.744 1.00 0.00 C ATOM 904 CD2 LEU A 61 6.676 -16.095 5.460 1.00 0.00 C ATOM 0 H LEU A 61 5.213 -13.506 2.458 1.00 0.00 H new ATOM 0 HA LEU A 61 7.783 -14.199 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.265 -15.296 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.073 -16.090 2.084 1.00 0.00 H new ATOM 0 HG LEU A 61 6.453 -17.565 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.862 -17.367 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.563 -17.022 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.856 -15.686 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.144 -16.791 6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.118 -15.106 5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.606 -16.043 5.664 1.00 0.00 H new