USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 349 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 39 CYS SG : rot 62:sc= 0.575 USER MOD Set 1.2: A 41 CYS SG : rot 156:sc= -0.133 USER MOD Set 1.3: A 46 CYS SG : rot -0:sc= 0.35 USER MOD Set 1.4: A 48 CYS SG : rot -31:sc= -1.23! USER MOD Set 1.5: A 52 CYS SG : rot -6:sc= 0.822 USER MOD Set 1.6: A 58 CYS SG : rot 113:sc= 0.201 USER MOD Set 1.7: A 60 CYS SG : rot 109:sc= -0.474 USER MOD Set 1.8: A 64 CYS SG : rot 170:sc= -0.697! USER MOD Set 1.9: A 66 CYS SG : rot -59:sc= -2! USER MOD Set 1.10: A 67 LYS NZ :NH3+ 139:sc= 2.19 (180deg=0.0683) USER MOD Set 2.1: A 10 CYS SG : rot -118:sc= -1.53! USER MOD Set 2.2: A 14 CYS SG : rot 93:sc= 0.632 USER MOD Set 2.3: A 19 CYS SG : rot -104:sc= 0.129 USER MOD Set 2.4: A 21 CYS SG : rot 158:sc= -2.82! USER MOD Set 2.5: A 25 CYS SG : rot 10:sc= -2.79! USER MOD Set 2.6: A 27 CYS SG : rot -39:sc= 0.663 USER MOD Set 2.7: A 31 CYS SG : rot 179:sc= -0.114 USER MOD Set 2.8: A 33 CYS SG : rot 86:sc= 0.761 USER MOD Set 2.9: A 36 CYS SG : rot 116:sc= -0.2 USER MOD Set 2.10: A 37 LYS NZ :NH3+ -166:sc= 2.24 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= -0.0209 (180deg=-0.163) USER MOD Single : A 11 THR OG1 : rot 130:sc=0.000832 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 71:sc= 1.3 USER MOD Single : A 20 GLN : amide:sc= 0.189 K(o=0.19,f=-0.51) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 32 THR OG1 : rot 19:sc= 0.885 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00804 USER MOD Single : A 40 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 42 THR OG1 : rot 8:sc= 0.537 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 13:sc= 0.908 USER MOD Single : A 57 SER OG : rot -37:sc= 0.58 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 140:sc= -0.0349 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 -15.156 23.115 -16.004 1.00 0.00 N ATOM 99 CA LYS A 9 -16.169 23.229 -14.966 1.00 0.00 C ATOM 100 C LYS A 9 -16.768 24.628 -14.911 1.00 0.00 C ATOM 101 O LYS A 9 -17.121 25.120 -13.841 1.00 0.00 O ATOM 102 CB LYS A 9 -15.563 22.858 -13.613 1.00 0.00 C ATOM 103 CG LYS A 9 -15.096 21.410 -13.533 1.00 0.00 C ATOM 104 CD LYS A 9 -14.487 21.084 -12.176 1.00 0.00 C ATOM 105 CE LYS A 9 -15.482 21.294 -11.044 1.00 0.00 C ATOM 106 NZ LYS A 9 -16.724 20.497 -11.230 1.00 0.00 N ATOM 0 HA LYS A 9 -16.977 22.538 -15.206 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.718 23.516 -13.410 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -16.302 23.037 -12.832 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.939 20.746 -13.721 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.361 21.222 -14.315 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.144 20.049 -12.171 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.611 21.711 -12.011 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.016 21.020 -10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.738 22.352 -10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.296 20.538 -10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.271 20.887 -12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.475 19.508 -11.434 1.00 0.00 H new ATOM 120 N CYS A 10 -16.896 25.254 -16.059 1.00 0.00 N ATOM 121 CA CYS A 10 -17.464 26.583 -16.131 1.00 0.00 C ATOM 122 C CYS A 10 -18.929 26.547 -16.524 1.00 0.00 C ATOM 123 O CYS A 10 -19.333 25.774 -17.390 1.00 0.00 O ATOM 124 CB CYS A 10 -16.671 27.466 -17.083 1.00 0.00 C ATOM 125 SG CYS A 10 -15.011 27.861 -16.493 1.00 0.00 S ATOM 0 H CYS A 10 -16.614 24.864 -16.958 1.00 0.00 H new ATOM 0 HA CYS A 10 -17.402 27.016 -15.132 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -16.595 26.967 -18.049 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -17.219 28.394 -17.246 1.00 0.00 H new ATOM 0 HG CYS A 10 -14.903 29.146 -16.330 1.00 0.00 H new ATOM 130 N THR A 11 -19.719 27.385 -15.878 1.00 0.00 N ATOM 131 CA THR A 11 -21.139 27.454 -16.136 1.00 0.00 C ATOM 132 C THR A 11 -21.436 28.464 -17.241 1.00 0.00 C ATOM 133 O THR A 11 -20.516 29.086 -17.791 1.00 0.00 O ATOM 134 CB THR A 11 -21.902 27.850 -14.859 1.00 0.00 C ATOM 135 OG1 THR A 11 -21.370 29.079 -14.344 1.00 0.00 O ATOM 136 CG2 THR A 11 -21.782 26.764 -13.799 1.00 0.00 C ATOM 0 H THR A 11 -19.392 28.034 -15.162 1.00 0.00 H new ATOM 0 HA THR A 11 -21.470 26.467 -16.458 1.00 0.00 H new ATOM 0 HB THR A 11 -22.955 27.977 -15.110 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.103 29.706 -14.172 1.00 0.00 H new ATOM 0 HG21 THR A 11 -22.329 27.066 -12.906 1.00 0.00 H new ATOM 0 HG22 THR A 11 -22.199 25.833 -14.183 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.732 26.615 -13.548 1.00 0.00 H new ATOM 144 N SER A 12 -22.712 28.645 -17.548 1.00 0.00 N ATOM 145 CA SER A 12 -23.127 29.566 -18.592 1.00 0.00 C ATOM 146 C SER A 12 -22.763 31.008 -18.222 1.00 0.00 C ATOM 147 O SER A 12 -22.510 31.834 -19.097 1.00 0.00 O ATOM 148 CB SER A 12 -24.632 29.442 -18.838 1.00 0.00 C ATOM 149 OG SER A 12 -24.995 28.093 -19.119 1.00 0.00 O ATOM 0 H SER A 12 -23.481 28.162 -17.084 1.00 0.00 H new ATOM 0 HA SER A 12 -22.598 29.307 -19.509 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.177 29.794 -17.962 1.00 0.00 H new ATOM 0 HB3 SER A 12 -24.921 30.081 -19.672 1.00 0.00 H new ATOM 0 HG SER A 12 -25.962 28.039 -19.271 1.00 0.00 H new ATOM 155 N ALA A 13 -22.716 31.290 -16.921 1.00 0.00 N ATOM 156 CA ALA A 13 -22.377 32.613 -16.429 1.00 0.00 C ATOM 157 C ALA A 13 -20.951 32.982 -16.805 1.00 0.00 C ATOM 158 O ALA A 13 -20.686 34.089 -17.265 1.00 0.00 O ATOM 159 CB ALA A 13 -22.557 32.676 -14.921 1.00 0.00 C ATOM 0 H ALA A 13 -22.911 30.609 -16.187 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.050 33.333 -16.895 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.299 33.674 -14.565 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.595 32.458 -14.669 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -21.906 31.942 -14.446 1.00 0.00 H new ATOM 165 N CYS A 14 -20.041 32.044 -16.618 1.00 0.00 N ATOM 166 CA CYS A 14 -18.639 32.270 -16.932 1.00 0.00 C ATOM 167 C CYS A 14 -18.403 32.181 -18.438 1.00 0.00 C ATOM 168 O CYS A 14 -17.535 32.853 -18.985 1.00 0.00 O ATOM 169 CB CYS A 14 -17.768 31.250 -16.210 1.00 0.00 C ATOM 170 SG CYS A 14 -15.996 31.544 -16.372 1.00 0.00 S ATOM 0 H CYS A 14 -20.247 31.115 -16.249 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.370 33.271 -16.596 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.030 31.250 -15.152 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.997 30.256 -16.595 1.00 0.00 H new ATOM 0 HG CYS A 14 -15.582 32.263 -15.371 1.00 0.00 H new ATOM 175 N ARG A 15 -19.193 31.350 -19.105 1.00 0.00 N ATOM 176 CA ARG A 15 -19.067 31.171 -20.550 1.00 0.00 C ATOM 177 C ARG A 15 -19.618 32.360 -21.327 1.00 0.00 C ATOM 178 O ARG A 15 -19.450 32.452 -22.549 1.00 0.00 O ATOM 179 CB ARG A 15 -19.730 29.869 -21.004 1.00 0.00 C ATOM 180 CG ARG A 15 -18.904 28.616 -20.716 1.00 0.00 C ATOM 181 CD ARG A 15 -17.644 28.555 -21.584 1.00 0.00 C ATOM 182 NE ARG A 15 -16.674 29.609 -21.252 1.00 0.00 N ATOM 183 CZ ARG A 15 -16.130 30.452 -22.141 1.00 0.00 C ATOM 184 NH1 ARG A 15 -16.461 30.379 -23.427 1.00 0.00 N ATOM 185 NH2 ARG A 15 -15.260 31.370 -21.738 1.00 0.00 N ATOM 0 H ARG A 15 -19.927 30.789 -18.672 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.001 31.108 -20.770 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -20.697 29.775 -20.511 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -19.923 29.926 -22.075 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -18.622 28.601 -19.663 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.513 27.730 -20.896 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.171 27.580 -21.463 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -17.926 28.644 -22.633 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.395 29.706 -20.276 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -17.132 29.679 -23.742 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -16.044 31.023 -24.098 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.006 31.434 -20.752 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.846 32.012 -22.414 1.00 0.00 H new ATOM 199 N SER A 16 -20.277 33.257 -20.631 1.00 0.00 N ATOM 200 CA SER A 16 -20.789 34.454 -21.249 1.00 0.00 C ATOM 201 C SER A 16 -19.726 35.532 -21.212 1.00 0.00 C ATOM 202 O SER A 16 -18.788 35.458 -20.416 1.00 0.00 O ATOM 203 CB SER A 16 -22.052 34.924 -20.535 1.00 0.00 C ATOM 204 OG SER A 16 -23.063 33.928 -20.588 1.00 0.00 O ATOM 0 H SER A 16 -20.471 33.178 -19.633 1.00 0.00 H new ATOM 0 HA SER A 16 -21.047 34.241 -22.286 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.821 35.159 -19.496 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.415 35.842 -20.996 1.00 0.00 H new ATOM 0 HG SER A 16 -22.815 33.179 -20.006 1.00 0.00 H new ATOM 210 N GLU A 17 -19.853 36.511 -22.071 1.00 0.00 N ATOM 211 CA GLU A 17 -18.897 37.591 -22.116 1.00 0.00 C ATOM 212 C GLU A 17 -19.609 38.930 -22.007 1.00 0.00 C ATOM 213 O GLU A 17 -20.448 39.263 -22.848 1.00 0.00 O ATOM 214 CB GLU A 17 -18.062 37.514 -23.392 1.00 0.00 C ATOM 215 CG GLU A 17 -17.276 36.218 -23.514 1.00 0.00 C ATOM 216 CD GLU A 17 -16.415 36.170 -24.745 1.00 0.00 C ATOM 217 OE1 GLU A 17 -15.264 36.646 -24.687 1.00 0.00 O ATOM 218 OE2 GLU A 17 -16.878 35.653 -25.779 1.00 0.00 O ATOM 0 H GLU A 17 -20.610 36.584 -22.751 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.220 37.496 -21.267 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.719 37.616 -24.256 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.370 38.355 -23.417 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.647 36.096 -22.632 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -17.970 35.378 -23.529 1.00 0.00 H new ATOM 225 N PRO A 18 -19.296 39.714 -20.956 1.00 0.00 N ATOM 226 CA PRO A 18 -18.296 39.349 -19.956 1.00 0.00 C ATOM 227 C PRO A 18 -18.823 38.321 -18.968 1.00 0.00 C ATOM 228 O PRO A 18 -19.973 37.874 -19.072 1.00 0.00 O ATOM 229 CB PRO A 18 -17.997 40.668 -19.227 1.00 0.00 C ATOM 230 CG PRO A 18 -18.829 41.713 -19.895 1.00 0.00 C ATOM 231 CD PRO A 18 -19.908 40.997 -20.653 1.00 0.00 C ATOM 0 HA PRO A 18 -17.418 38.896 -20.417 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -18.244 40.592 -18.168 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.937 40.916 -19.290 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -19.260 42.391 -19.159 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.221 42.318 -20.568 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -20.813 40.882 -20.056 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -20.190 41.534 -21.559 1.00 0.00 H new ATOM 239 N CYS A 19 -17.994 37.963 -18.007 1.00 0.00 N ATOM 240 CA CYS A 19 -18.363 36.963 -17.022 1.00 0.00 C ATOM 241 C CYS A 19 -19.493 37.427 -16.147 1.00 0.00 C ATOM 242 O CYS A 19 -19.559 38.590 -15.741 1.00 0.00 O ATOM 243 CB CYS A 19 -17.175 36.547 -16.167 1.00 0.00 C ATOM 244 SG CYS A 19 -16.156 35.268 -16.915 1.00 0.00 S ATOM 0 H CYS A 19 -17.058 38.350 -17.886 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.703 36.092 -17.582 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.556 37.423 -15.970 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.539 36.191 -15.203 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.401 34.127 -16.341 1.00 0.00 H new ATOM 249 N GLN A 20 -20.385 36.513 -15.873 1.00 0.00 N ATOM 250 CA GLN A 20 -21.536 36.779 -15.050 1.00 0.00 C ATOM 251 C GLN A 20 -21.448 35.980 -13.773 1.00 0.00 C ATOM 252 O GLN A 20 -22.435 35.824 -13.050 1.00 0.00 O ATOM 253 CB GLN A 20 -22.798 36.414 -15.808 1.00 0.00 C ATOM 254 CG GLN A 20 -22.889 37.075 -17.165 1.00 0.00 C ATOM 255 CD GLN A 20 -22.935 38.589 -17.079 1.00 0.00 C ATOM 256 OE1 GLN A 20 -23.469 39.157 -16.121 1.00 0.00 O ATOM 257 NE2 GLN A 20 -22.357 39.251 -18.059 1.00 0.00 N ATOM 0 H GLN A 20 -20.333 35.554 -16.217 1.00 0.00 H new ATOM 0 HA GLN A 20 -21.565 37.840 -14.800 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.838 35.332 -15.934 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -23.666 36.698 -15.214 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -22.032 36.776 -17.768 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.781 36.717 -17.679 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -21.927 38.744 -18.833 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -22.339 40.271 -18.045 1.00 0.00 H new ATOM 266 N CYS A 21 -20.252 35.477 -13.497 1.00 0.00 N ATOM 267 CA CYS A 21 -20.010 34.689 -12.308 1.00 0.00 C ATOM 268 C CYS A 21 -20.241 35.522 -11.047 1.00 0.00 C ATOM 269 O CYS A 21 -20.657 35.000 -10.003 1.00 0.00 O ATOM 270 CB CYS A 21 -18.592 34.134 -12.340 1.00 0.00 C ATOM 271 SG CYS A 21 -18.437 32.527 -13.154 1.00 0.00 S ATOM 0 H CYS A 21 -19.432 35.605 -14.089 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.713 33.857 -12.287 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.946 34.849 -12.849 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -18.226 34.046 -11.317 1.00 0.00 H new ATOM 0 HG CYS A 21 -17.209 32.354 -13.543 1.00 0.00 H new ATOM 276 N GLY A 22 -19.969 36.813 -11.156 1.00 0.00 N ATOM 277 CA GLY A 22 -20.192 37.725 -10.067 1.00 0.00 C ATOM 278 C GLY A 22 -19.201 37.553 -8.952 1.00 0.00 C ATOM 279 O GLY A 22 -18.050 37.183 -9.184 1.00 0.00 O ATOM 0 H GLY A 22 -19.591 37.246 -11.998 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.139 38.748 -10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.199 37.579 -9.677 1.00 0.00 H new ATOM 283 N SER A 23 -19.647 37.811 -7.745 1.00 0.00 N ATOM 284 CA SER A 23 -18.807 37.693 -6.579 1.00 0.00 C ATOM 285 C SER A 23 -18.867 36.273 -6.033 1.00 0.00 C ATOM 286 O SER A 23 -17.984 35.843 -5.287 1.00 0.00 O ATOM 287 CB SER A 23 -19.261 38.692 -5.521 1.00 0.00 C ATOM 288 OG SER A 23 -19.380 39.992 -6.085 1.00 0.00 O ATOM 0 H SER A 23 -20.602 38.108 -7.545 1.00 0.00 H new ATOM 0 HA SER A 23 -17.775 37.912 -6.853 1.00 0.00 H new ATOM 0 HB2 SER A 23 -20.219 38.380 -5.105 1.00 0.00 H new ATOM 0 HB3 SER A 23 -18.546 38.710 -4.698 1.00 0.00 H new ATOM 0 HG SER A 23 -19.674 40.622 -5.395 1.00 0.00 H new ATOM 294 N LYS A 24 -19.903 35.540 -6.431 1.00 0.00 N ATOM 295 CA LYS A 24 -20.083 34.170 -5.979 1.00 0.00 C ATOM 296 C LYS A 24 -19.162 33.258 -6.732 1.00 0.00 C ATOM 297 O LYS A 24 -18.459 32.439 -6.140 1.00 0.00 O ATOM 298 CB LYS A 24 -21.519 33.702 -6.209 1.00 0.00 C ATOM 299 CG LYS A 24 -22.552 34.355 -5.319 1.00 0.00 C ATOM 300 CD LYS A 24 -23.951 33.824 -5.619 1.00 0.00 C ATOM 301 CE LYS A 24 -24.036 32.313 -5.427 1.00 0.00 C ATOM 302 NZ LYS A 24 -25.393 31.788 -5.722 1.00 0.00 N ATOM 0 H LYS A 24 -20.628 35.874 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 24 -19.860 34.139 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -21.785 33.891 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -21.562 32.623 -6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -22.306 34.169 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -22.531 35.435 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -24.674 34.315 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -24.224 34.076 -6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -23.310 31.824 -6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -23.766 32.063 -4.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -25.405 30.758 -5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -26.084 32.234 -5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -25.642 32.003 -6.709 1.00 0.00 H new ATOM 316 N CYS A 25 -19.171 33.427 -8.047 1.00 0.00 N ATOM 317 CA CYS A 25 -18.412 32.611 -8.964 1.00 0.00 C ATOM 318 C CYS A 25 -19.030 31.231 -9.068 1.00 0.00 C ATOM 319 O CYS A 25 -18.824 30.363 -8.217 1.00 0.00 O ATOM 320 CB CYS A 25 -16.937 32.550 -8.593 1.00 0.00 C ATOM 321 SG CYS A 25 -15.859 32.407 -10.018 1.00 0.00 S ATOM 0 H CYS A 25 -19.720 34.152 -8.508 1.00 0.00 H new ATOM 0 HA CYS A 25 -18.455 33.078 -9.948 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -16.672 33.447 -8.033 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -16.770 31.700 -7.932 1.00 0.00 H new ATOM 0 HG CYS A 25 -16.548 32.594 -11.104 1.00 0.00 H new ATOM 326 N GLN A 26 -19.815 31.055 -10.111 1.00 0.00 N ATOM 327 CA GLN A 26 -20.567 29.832 -10.325 1.00 0.00 C ATOM 328 C GLN A 26 -19.717 28.722 -10.932 1.00 0.00 C ATOM 329 O GLN A 26 -20.037 27.541 -10.775 1.00 0.00 O ATOM 330 CB GLN A 26 -21.773 30.119 -11.213 1.00 0.00 C ATOM 331 CG GLN A 26 -22.732 31.139 -10.622 1.00 0.00 C ATOM 332 CD GLN A 26 -23.823 31.540 -11.589 1.00 0.00 C ATOM 333 OE1 GLN A 26 -24.238 30.755 -12.438 1.00 0.00 O ATOM 334 NE2 GLN A 26 -24.290 32.766 -11.469 1.00 0.00 N ATOM 0 H GLN A 26 -19.951 31.758 -10.838 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.901 29.478 -9.350 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.424 30.478 -12.181 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.311 29.188 -11.394 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -23.185 30.727 -9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.174 32.026 -10.322 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.917 33.386 -10.750 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -25.025 33.096 -12.095 1.00 0.00 H new ATOM 343 N CYS A 27 -18.642 29.080 -11.622 1.00 0.00 N ATOM 344 CA CYS A 27 -17.799 28.065 -12.228 1.00 0.00 C ATOM 345 C CYS A 27 -16.884 27.448 -11.191 1.00 0.00 C ATOM 346 O CYS A 27 -16.586 28.063 -10.159 1.00 0.00 O ATOM 347 CB CYS A 27 -16.964 28.633 -13.374 1.00 0.00 C ATOM 348 SG CYS A 27 -15.646 29.729 -12.865 1.00 0.00 S ATOM 0 H CYS A 27 -18.340 30.043 -11.773 1.00 0.00 H new ATOM 0 HA CYS A 27 -18.458 27.298 -12.635 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -16.533 27.805 -13.937 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -17.624 29.171 -14.054 1.00 0.00 H new ATOM 0 HG CYS A 27 -16.056 30.473 -11.881 1.00 0.00 H new ATOM 353 N GLY A 28 -16.439 26.240 -11.460 1.00 0.00 N ATOM 354 CA GLY A 28 -15.555 25.577 -10.547 1.00 0.00 C ATOM 355 C GLY A 28 -14.123 25.991 -10.768 1.00 0.00 C ATOM 356 O GLY A 28 -13.525 26.668 -9.928 1.00 0.00 O ATOM 0 H GLY A 28 -16.676 25.707 -12.297 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.848 25.808 -9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.646 24.498 -10.669 1.00 0.00 H new ATOM 360 N GLU A 29 -13.585 25.616 -11.916 1.00 0.00 N ATOM 361 CA GLU A 29 -12.208 25.904 -12.260 1.00 0.00 C ATOM 362 C GLU A 29 -11.959 25.573 -13.723 1.00 0.00 C ATOM 363 O GLU A 29 -12.800 24.939 -14.376 1.00 0.00 O ATOM 364 CB GLU A 29 -11.273 25.079 -11.370 1.00 0.00 C ATOM 365 CG GLU A 29 -11.511 23.579 -11.464 1.00 0.00 C ATOM 366 CD GLU A 29 -10.795 22.805 -10.386 1.00 0.00 C ATOM 367 OE1 GLU A 29 -11.357 22.663 -9.282 1.00 0.00 O ATOM 368 OE2 GLU A 29 -9.671 22.328 -10.630 1.00 0.00 O ATOM 0 H GLU A 29 -14.094 25.102 -12.635 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.012 26.964 -12.100 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.240 25.293 -11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.399 25.394 -10.334 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.581 23.381 -11.398 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.181 23.224 -12.440 1.00 0.00 H new ATOM 375 N GLY A 30 -10.823 26.009 -14.235 1.00 0.00 N ATOM 376 CA GLY A 30 -10.465 25.698 -15.596 1.00 0.00 C ATOM 377 C GLY A 30 -10.694 26.844 -16.559 1.00 0.00 C ATOM 378 O GLY A 30 -11.024 26.618 -17.725 1.00 0.00 O ATOM 0 H GLY A 30 -10.141 26.575 -13.730 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.414 25.410 -15.630 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.043 24.835 -15.927 1.00 0.00 H new ATOM 382 N CYS A 31 -10.534 28.070 -16.092 1.00 0.00 N ATOM 383 CA CYS A 31 -10.697 29.222 -16.972 1.00 0.00 C ATOM 384 C CYS A 31 -9.648 30.294 -16.700 1.00 0.00 C ATOM 385 O CYS A 31 -9.152 30.926 -17.632 1.00 0.00 O ATOM 386 CB CYS A 31 -12.102 29.814 -16.850 1.00 0.00 C ATOM 387 SG CYS A 31 -12.492 30.464 -15.215 1.00 0.00 S ATOM 0 H CYS A 31 -10.296 28.295 -15.126 1.00 0.00 H new ATOM 0 HA CYS A 31 -10.556 28.866 -17.993 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.212 30.614 -17.582 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.831 29.045 -17.106 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.695 30.956 -15.219 1.00 0.00 H new ATOM 392 N THR A 32 -9.305 30.485 -15.414 1.00 0.00 N ATOM 393 CA THR A 32 -8.331 31.505 -14.987 1.00 0.00 C ATOM 394 C THR A 32 -8.653 32.871 -15.598 1.00 0.00 C ATOM 395 O THR A 32 -7.774 33.561 -16.121 1.00 0.00 O ATOM 396 CB THR A 32 -6.860 31.098 -15.308 1.00 0.00 C ATOM 397 OG1 THR A 32 -6.701 30.797 -16.702 1.00 0.00 O ATOM 398 CG2 THR A 32 -6.451 29.889 -14.485 1.00 0.00 C ATOM 0 H THR A 32 -9.693 29.939 -14.645 1.00 0.00 H new ATOM 0 HA THR A 32 -8.418 31.579 -13.903 1.00 0.00 H new ATOM 0 HB THR A 32 -6.221 31.944 -15.054 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.442 31.191 -17.208 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.422 29.619 -14.722 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.529 30.128 -13.424 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.109 29.051 -14.717 1.00 0.00 H new ATOM 406 N CYS A 33 -9.927 33.244 -15.526 1.00 0.00 N ATOM 407 CA CYS A 33 -10.404 34.502 -16.076 1.00 0.00 C ATOM 408 C CYS A 33 -9.801 35.709 -15.388 1.00 0.00 C ATOM 409 O CYS A 33 -9.187 35.608 -14.336 1.00 0.00 O ATOM 410 CB CYS A 33 -11.916 34.584 -15.972 1.00 0.00 C ATOM 411 SG CYS A 33 -12.780 33.510 -17.100 1.00 0.00 S ATOM 0 H CYS A 33 -10.655 32.681 -15.085 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.091 34.519 -17.120 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.214 34.338 -14.953 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.227 35.612 -16.156 1.00 0.00 H new ATOM 0 HG CYS A 33 -12.898 32.329 -16.570 1.00 0.00 H new ATOM 416 N ALA A 34 -10.012 36.857 -15.988 1.00 0.00 N ATOM 417 CA ALA A 34 -9.549 38.104 -15.435 1.00 0.00 C ATOM 418 C ALA A 34 -10.714 38.837 -14.797 1.00 0.00 C ATOM 419 O ALA A 34 -10.637 40.030 -14.509 1.00 0.00 O ATOM 420 CB ALA A 34 -8.905 38.958 -16.516 1.00 0.00 C ATOM 0 H ALA A 34 -10.510 36.951 -16.873 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.796 37.902 -14.673 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.561 39.896 -16.081 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.057 38.424 -16.945 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.635 39.167 -17.298 1.00 0.00 H new ATOM 426 N ALA A 35 -11.785 38.096 -14.554 1.00 0.00 N ATOM 427 CA ALA A 35 -12.994 38.652 -13.985 1.00 0.00 C ATOM 428 C ALA A 35 -13.391 37.899 -12.728 1.00 0.00 C ATOM 429 O ALA A 35 -13.280 38.416 -11.619 1.00 0.00 O ATOM 430 CB ALA A 35 -14.122 38.613 -15.010 1.00 0.00 C ATOM 0 H ALA A 35 -11.836 37.096 -14.747 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.804 39.690 -13.713 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -15.027 39.034 -14.571 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.838 39.196 -15.886 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -14.309 37.581 -15.307 1.00 0.00 H new ATOM 436 N CYS A 36 -13.839 36.668 -12.906 1.00 0.00 N ATOM 437 CA CYS A 36 -14.274 35.847 -11.792 1.00 0.00 C ATOM 438 C CYS A 36 -13.103 35.090 -11.157 1.00 0.00 C ATOM 439 O CYS A 36 -13.014 34.961 -9.939 1.00 0.00 O ATOM 440 CB CYS A 36 -15.309 34.850 -12.277 1.00 0.00 C ATOM 441 SG CYS A 36 -14.687 33.691 -13.516 1.00 0.00 S ATOM 0 H CYS A 36 -13.911 36.214 -13.817 1.00 0.00 H new ATOM 0 HA CYS A 36 -14.703 36.505 -11.036 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.684 34.286 -11.423 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -16.155 35.395 -12.696 1.00 0.00 H new ATOM 0 HG CYS A 36 -14.715 32.484 -13.034 1.00 0.00 H new ATOM 446 N LYS A 37 -12.193 34.618 -11.997 1.00 0.00 N ATOM 447 CA LYS A 37 -11.098 33.768 -11.548 1.00 0.00 C ATOM 448 C LYS A 37 -9.794 34.532 -11.563 1.00 0.00 C ATOM 449 O LYS A 37 -8.747 33.995 -11.925 1.00 0.00 O ATOM 450 CB LYS A 37 -10.993 32.556 -12.472 1.00 0.00 C ATOM 451 CG LYS A 37 -10.585 31.264 -11.787 1.00 0.00 C ATOM 452 CD LYS A 37 -11.787 30.355 -11.578 1.00 0.00 C ATOM 453 CE LYS A 37 -12.795 30.958 -10.615 1.00 0.00 C ATOM 454 NZ LYS A 37 -13.997 30.105 -10.466 1.00 0.00 N ATOM 0 H LYS A 37 -12.191 34.810 -12.999 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.297 33.441 -10.527 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.956 32.404 -12.959 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.271 32.778 -13.258 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.836 30.750 -12.389 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.122 31.488 -10.826 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.270 30.166 -12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.451 29.392 -11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.327 31.099 -9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.092 31.944 -10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.752 30.647 -10.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.322 29.796 -11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.762 29.272 -9.889 1.00 0.00 H new ATOM 468 N THR A 38 -9.852 35.756 -11.139 1.00 0.00 N ATOM 469 CA THR A 38 -8.698 36.609 -11.190 1.00 0.00 C ATOM 470 C THR A 38 -8.224 36.988 -9.797 1.00 0.00 C ATOM 471 O THR A 38 -8.950 36.837 -8.812 1.00 0.00 O ATOM 472 CB THR A 38 -9.000 37.890 -11.999 1.00 0.00 C ATOM 473 OG1 THR A 38 -7.784 38.581 -12.313 1.00 0.00 O ATOM 474 CG2 THR A 38 -9.925 38.822 -11.225 1.00 0.00 C ATOM 0 H THR A 38 -10.689 36.192 -10.751 1.00 0.00 H new ATOM 0 HA THR A 38 -7.904 36.049 -11.685 1.00 0.00 H new ATOM 0 HB THR A 38 -9.496 37.590 -12.922 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.991 39.389 -12.827 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.121 39.715 -11.818 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.865 38.311 -11.017 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.451 39.107 -10.285 1.00 0.00 H new ATOM 482 N CYS A 39 -7.006 37.467 -9.727 1.00 0.00 N ATOM 483 CA CYS A 39 -6.435 37.934 -8.499 1.00 0.00 C ATOM 484 C CYS A 39 -6.322 39.443 -8.567 1.00 0.00 C ATOM 485 O CYS A 39 -5.995 40.000 -9.620 1.00 0.00 O ATOM 486 CB CYS A 39 -5.064 37.304 -8.273 1.00 0.00 C ATOM 487 SG CYS A 39 -4.250 37.830 -6.753 1.00 0.00 S ATOM 0 H CYS A 39 -6.382 37.542 -10.531 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.073 37.649 -7.662 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.173 36.220 -8.257 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.421 37.547 -9.119 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.966 37.468 -5.730 1.00 0.00 H new ATOM 492 N ASN A 40 -6.600 40.106 -7.470 1.00 0.00 N ATOM 493 CA ASN A 40 -6.575 41.558 -7.447 1.00 0.00 C ATOM 494 C ASN A 40 -5.272 42.083 -6.871 1.00 0.00 C ATOM 495 O ASN A 40 -5.092 43.296 -6.721 1.00 0.00 O ATOM 496 CB ASN A 40 -7.779 42.108 -6.673 1.00 0.00 C ATOM 497 CG ASN A 40 -9.080 42.007 -7.465 1.00 0.00 C ATOM 498 OD1 ASN A 40 -9.472 42.948 -8.162 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.751 40.873 -7.372 1.00 0.00 N ATOM 0 H ASN A 40 -6.846 39.669 -6.582 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.641 41.908 -8.477 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.885 41.561 -5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.595 43.151 -6.415 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.624 40.753 -7.886 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.396 40.117 -6.786 1.00 0.00 H new ATOM 506 N CYS A 41 -4.358 41.176 -6.559 1.00 0.00 N ATOM 507 CA CYS A 41 -3.070 41.552 -6.029 1.00 0.00 C ATOM 508 C CYS A 41 -2.137 42.001 -7.138 1.00 0.00 C ATOM 509 O CYS A 41 -2.390 41.751 -8.320 1.00 0.00 O ATOM 510 CB CYS A 41 -2.458 40.395 -5.261 1.00 0.00 C ATOM 511 SG CYS A 41 -3.458 39.840 -3.874 1.00 0.00 S ATOM 0 H CYS A 41 -4.493 40.171 -6.667 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.214 42.390 -5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.303 39.559 -5.943 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.476 40.693 -4.893 1.00 0.00 H new ATOM 0 HG CYS A 41 -3.174 38.601 -3.603 1.00 0.00 H new ATOM 516 N THR A 42 -1.064 42.663 -6.757 1.00 0.00 N ATOM 517 CA THR A 42 -0.102 43.164 -7.713 1.00 0.00 C ATOM 518 C THR A 42 1.314 42.781 -7.297 1.00 0.00 C ATOM 519 O THR A 42 1.551 42.435 -6.141 1.00 0.00 O ATOM 520 CB THR A 42 -0.209 44.697 -7.845 1.00 0.00 C ATOM 521 OG1 THR A 42 -0.162 45.309 -6.543 1.00 0.00 O ATOM 522 CG2 THR A 42 -1.501 45.094 -8.546 1.00 0.00 C ATOM 0 H THR A 42 -0.836 42.867 -5.784 1.00 0.00 H new ATOM 0 HA THR A 42 -0.323 42.712 -8.680 1.00 0.00 H new ATOM 0 HB THR A 42 0.634 45.045 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.050 44.629 -5.870 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.552 46.180 -8.627 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.524 44.655 -9.543 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.353 44.732 -7.971 1.00 0.00 H new ATOM 530 N SER A 43 2.247 42.852 -8.230 1.00 0.00 N ATOM 531 CA SER A 43 3.636 42.509 -7.959 1.00 0.00 C ATOM 532 C SER A 43 4.284 43.543 -7.037 1.00 0.00 C ATOM 533 O SER A 43 5.275 43.258 -6.363 1.00 0.00 O ATOM 534 CB SER A 43 4.419 42.413 -9.267 1.00 0.00 C ATOM 535 OG SER A 43 3.808 41.495 -10.167 1.00 0.00 O ATOM 0 H SER A 43 2.068 43.146 -9.190 1.00 0.00 H new ATOM 0 HA SER A 43 3.656 41.541 -7.458 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.478 43.397 -9.732 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.441 42.097 -9.059 1.00 0.00 H new ATOM 0 HG SER A 43 4.329 41.454 -10.996 1.00 0.00 H new ATOM 541 N ASP A 44 3.714 44.740 -7.008 1.00 0.00 N ATOM 542 CA ASP A 44 4.223 45.819 -6.166 1.00 0.00 C ATOM 543 C ASP A 44 3.638 45.753 -4.769 1.00 0.00 C ATOM 544 O ASP A 44 3.982 46.561 -3.906 1.00 0.00 O ATOM 545 CB ASP A 44 3.925 47.188 -6.786 1.00 0.00 C ATOM 546 CG ASP A 44 4.788 47.487 -7.987 1.00 0.00 C ATOM 547 OD1 ASP A 44 5.915 47.992 -7.803 1.00 0.00 O ATOM 548 OD2 ASP A 44 4.344 47.225 -9.125 1.00 0.00 O ATOM 0 H ASP A 44 2.894 44.991 -7.560 1.00 0.00 H new ATOM 0 HA ASP A 44 5.303 45.690 -6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.876 47.228 -7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.076 47.963 -6.034 1.00 0.00 H new ATOM 553 N GLY A 45 2.756 44.798 -4.545 1.00 0.00 N ATOM 554 CA GLY A 45 2.151 44.658 -3.246 1.00 0.00 C ATOM 555 C GLY A 45 0.998 43.684 -3.247 1.00 0.00 C ATOM 556 O GLY A 45 0.088 43.778 -4.089 1.00 0.00 O ATOM 0 H GLY A 45 2.449 44.118 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.904 44.324 -2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.799 45.632 -2.906 1.00 0.00 H new ATOM 560 N CYS A 46 1.039 42.739 -2.329 1.00 0.00 N ATOM 561 CA CYS A 46 -0.019 41.766 -2.184 1.00 0.00 C ATOM 562 C CYS A 46 -1.182 42.411 -1.441 1.00 0.00 C ATOM 563 O CYS A 46 -0.998 42.986 -0.369 1.00 0.00 O ATOM 564 CB CYS A 46 0.499 40.551 -1.419 1.00 0.00 C ATOM 565 SG CYS A 46 -0.507 39.072 -1.607 1.00 0.00 S ATOM 0 H CYS A 46 1.805 42.626 -1.666 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.359 41.434 -3.165 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.513 40.331 -1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.560 40.802 -0.360 1.00 0.00 H new ATOM 0 HG CYS A 46 -1.519 39.331 -2.381 1.00 0.00 H new ATOM 570 N LYS A 47 -2.371 42.315 -2.003 1.00 0.00 N ATOM 571 CA LYS A 47 -3.527 42.986 -1.429 1.00 0.00 C ATOM 572 C LYS A 47 -4.229 42.129 -0.384 1.00 0.00 C ATOM 573 O LYS A 47 -4.819 42.656 0.560 1.00 0.00 O ATOM 574 CB LYS A 47 -4.513 43.409 -2.524 1.00 0.00 C ATOM 575 CG LYS A 47 -3.893 44.283 -3.616 1.00 0.00 C ATOM 576 CD LYS A 47 -3.280 45.564 -3.062 1.00 0.00 C ATOM 577 CE LYS A 47 -4.325 46.492 -2.463 1.00 0.00 C ATOM 578 NZ LYS A 47 -3.712 47.740 -1.943 1.00 0.00 N ATOM 0 H LYS A 47 -2.564 41.783 -2.851 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.158 43.879 -0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.935 42.515 -2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.340 43.951 -2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.125 43.714 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.657 44.538 -4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.542 45.311 -2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.749 46.085 -3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.070 46.739 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.849 45.979 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.453 48.350 -1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.019 47.505 -1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.234 48.241 -2.719 1.00 0.00 H new ATOM 592 N CYS A 48 -4.176 40.819 -0.542 1.00 0.00 N ATOM 593 CA CYS A 48 -4.820 39.937 0.417 1.00 0.00 C ATOM 594 C CYS A 48 -3.858 39.596 1.551 1.00 0.00 C ATOM 595 O CYS A 48 -4.260 39.477 2.709 1.00 0.00 O ATOM 596 CB CYS A 48 -5.308 38.663 -0.261 1.00 0.00 C ATOM 597 SG CYS A 48 -3.986 37.566 -0.774 1.00 0.00 S ATOM 0 H CYS A 48 -3.702 40.347 -1.312 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.684 40.456 0.832 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.967 38.128 0.423 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.904 38.932 -1.133 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.937 38.267 -1.087 1.00 0.00 H new ATOM 602 N GLY A 49 -2.586 39.437 1.209 1.00 0.00 N ATOM 603 CA GLY A 49 -1.583 39.151 2.205 1.00 0.00 C ATOM 604 C GLY A 49 -1.028 37.743 2.102 1.00 0.00 C ATOM 605 O GLY A 49 -0.151 37.361 2.875 1.00 0.00 O ATOM 0 H GLY A 49 -2.234 39.502 0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.766 39.866 2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.013 39.294 3.196 1.00 0.00 H new ATOM 609 N LYS A 50 -1.525 36.965 1.144 1.00 0.00 N ATOM 610 CA LYS A 50 -1.055 35.590 0.965 1.00 0.00 C ATOM 611 C LYS A 50 0.263 35.561 0.201 1.00 0.00 C ATOM 612 O LYS A 50 0.838 34.497 -0.028 1.00 0.00 O ATOM 613 CB LYS A 50 -2.106 34.734 0.250 1.00 0.00 C ATOM 614 CG LYS A 50 -3.457 34.703 0.950 1.00 0.00 C ATOM 615 CD LYS A 50 -3.324 34.309 2.409 1.00 0.00 C ATOM 616 CE LYS A 50 -4.674 34.292 3.099 1.00 0.00 C ATOM 617 NZ LYS A 50 -4.542 34.094 4.562 1.00 0.00 N ATOM 0 H LYS A 50 -2.246 37.257 0.484 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.889 35.167 1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.241 35.113 -0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.731 33.715 0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.926 35.684 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.114 33.998 0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.863 33.324 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.661 35.009 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.193 35.230 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.287 33.495 2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.486 34.088 4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.069 33.187 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.978 34.868 4.968 1.00 0.00 H new ATOM 631 N GLU A 51 0.719 36.746 -0.195 1.00 0.00 N ATOM 632 CA GLU A 51 1.988 36.931 -0.898 1.00 0.00 C ATOM 633 C GLU A 51 1.935 36.321 -2.305 1.00 0.00 C ATOM 634 O GLU A 51 2.964 36.028 -2.917 1.00 0.00 O ATOM 635 CB GLU A 51 3.149 36.360 -0.067 1.00 0.00 C ATOM 636 CG GLU A 51 4.521 36.844 -0.497 1.00 0.00 C ATOM 637 CD GLU A 51 5.581 36.527 0.526 1.00 0.00 C ATOM 638 OE1 GLU A 51 6.263 35.490 0.385 1.00 0.00 O ATOM 639 OE2 GLU A 51 5.734 37.310 1.484 1.00 0.00 O ATOM 0 H GLU A 51 0.212 37.617 -0.035 1.00 0.00 H new ATOM 0 HA GLU A 51 2.164 38.000 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.995 36.623 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.124 35.272 -0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.786 36.382 -1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.489 37.921 -0.664 1.00 0.00 H new ATOM 646 N CYS A 52 0.730 36.159 -2.819 1.00 0.00 N ATOM 647 CA CYS A 52 0.538 35.635 -4.152 1.00 0.00 C ATOM 648 C CYS A 52 0.938 36.677 -5.189 1.00 0.00 C ATOM 649 O CYS A 52 1.638 36.370 -6.156 1.00 0.00 O ATOM 650 CB CYS A 52 -0.912 35.199 -4.341 1.00 0.00 C ATOM 651 SG CYS A 52 -2.131 36.362 -3.697 1.00 0.00 S ATOM 0 H CYS A 52 -0.134 36.386 -2.327 1.00 0.00 H new ATOM 0 HA CYS A 52 1.175 34.761 -4.287 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.098 35.049 -5.405 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.055 34.235 -3.853 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.524 37.317 -3.058 1.00 0.00 H new ATOM 656 N THR A 53 0.499 37.917 -4.962 1.00 0.00 N ATOM 657 CA THR A 53 0.838 39.079 -5.805 1.00 0.00 C ATOM 658 C THR A 53 0.530 38.855 -7.292 1.00 0.00 C ATOM 659 O THR A 53 1.135 39.483 -8.162 1.00 0.00 O ATOM 660 CB THR A 53 2.324 39.511 -5.626 1.00 0.00 C ATOM 661 OG1 THR A 53 3.223 38.445 -5.972 1.00 0.00 O ATOM 662 CG2 THR A 53 2.577 39.933 -4.192 1.00 0.00 C ATOM 0 H THR A 53 -0.110 38.151 -4.178 1.00 0.00 H new ATOM 0 HA THR A 53 0.194 39.887 -5.458 1.00 0.00 H new ATOM 0 HB THR A 53 2.507 40.351 -6.295 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.730 37.741 -6.442 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.619 40.233 -4.079 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.929 40.772 -3.940 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.365 39.098 -3.524 1.00 0.00 H new ATOM 670 N GLY A 54 -0.428 37.991 -7.566 1.00 0.00 N ATOM 671 CA GLY A 54 -0.789 37.700 -8.928 1.00 0.00 C ATOM 672 C GLY A 54 -1.482 36.363 -9.039 1.00 0.00 C ATOM 673 O GLY A 54 -1.349 35.529 -8.148 1.00 0.00 O ATOM 0 H GLY A 54 -0.965 37.483 -6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.444 38.484 -9.308 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.105 37.701 -9.552 1.00 0.00 H new ATOM 677 N PRO A 55 -2.222 36.119 -10.133 1.00 0.00 N ATOM 678 CA PRO A 55 -2.981 34.876 -10.315 1.00 0.00 C ATOM 679 C PRO A 55 -2.097 33.646 -10.525 1.00 0.00 C ATOM 680 O PRO A 55 -2.578 32.512 -10.459 1.00 0.00 O ATOM 681 CB PRO A 55 -3.824 35.147 -11.559 1.00 0.00 C ATOM 682 CG PRO A 55 -3.074 36.194 -12.308 1.00 0.00 C ATOM 683 CD PRO A 55 -2.383 37.039 -11.276 1.00 0.00 C ATOM 0 HA PRO A 55 -3.565 34.640 -9.425 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.947 34.244 -12.158 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.823 35.491 -11.292 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.351 35.743 -12.988 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.750 36.797 -12.915 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.421 37.406 -11.635 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.977 37.912 -11.008 1.00 0.00 H new ATOM 691 N ASP A 56 -0.815 33.861 -10.768 1.00 0.00 N ATOM 692 CA ASP A 56 0.103 32.749 -10.985 1.00 0.00 C ATOM 693 C ASP A 56 0.518 32.117 -9.666 1.00 0.00 C ATOM 694 O ASP A 56 0.418 30.909 -9.489 1.00 0.00 O ATOM 695 CB ASP A 56 1.335 33.190 -11.767 1.00 0.00 C ATOM 696 CG ASP A 56 2.319 32.054 -11.969 1.00 0.00 C ATOM 697 OD1 ASP A 56 3.433 32.119 -11.411 1.00 0.00 O ATOM 698 OD2 ASP A 56 1.981 31.087 -12.688 1.00 0.00 O ATOM 0 H ASP A 56 -0.387 34.785 -10.820 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.427 32.002 -11.576 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.028 33.580 -12.737 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.827 34.006 -11.237 1.00 0.00 H new ATOM 703 N SER A 57 0.960 32.939 -8.739 1.00 0.00 N ATOM 704 CA SER A 57 1.383 32.458 -7.437 1.00 0.00 C ATOM 705 C SER A 57 0.204 32.464 -6.467 1.00 0.00 C ATOM 706 O SER A 57 0.368 32.225 -5.266 1.00 0.00 O ATOM 707 CB SER A 57 2.532 33.326 -6.896 1.00 0.00 C ATOM 708 OG SER A 57 3.063 32.795 -5.686 1.00 0.00 O ATOM 0 H SER A 57 1.037 33.949 -8.862 1.00 0.00 H new ATOM 0 HA SER A 57 1.743 31.434 -7.539 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.323 33.392 -7.643 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.172 34.340 -6.722 1.00 0.00 H new ATOM 0 HG SER A 57 2.337 32.414 -5.149 1.00 0.00 H new ATOM 714 N CYS A 58 -0.980 32.735 -6.999 1.00 0.00 N ATOM 715 CA CYS A 58 -2.186 32.772 -6.217 1.00 0.00 C ATOM 716 C CYS A 58 -2.556 31.368 -5.775 1.00 0.00 C ATOM 717 O CYS A 58 -2.940 30.525 -6.591 1.00 0.00 O ATOM 718 CB CYS A 58 -3.306 33.390 -7.039 1.00 0.00 C ATOM 719 SG CYS A 58 -4.630 34.103 -6.065 1.00 0.00 S ATOM 0 H CYS A 58 -1.121 32.935 -7.989 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.027 33.382 -5.328 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.885 34.164 -7.680 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.724 32.626 -7.694 1.00 0.00 H new ATOM 0 HG CYS A 58 -4.636 35.394 -6.219 1.00 0.00 H new ATOM 724 N LYS A 59 -2.409 31.106 -4.490 1.00 0.00 N ATOM 725 CA LYS A 59 -2.689 29.787 -3.957 1.00 0.00 C ATOM 726 C LYS A 59 -3.933 29.792 -3.089 1.00 0.00 C ATOM 727 O LYS A 59 -4.310 28.762 -2.527 1.00 0.00 O ATOM 728 CB LYS A 59 -1.491 29.253 -3.166 1.00 0.00 C ATOM 729 CG LYS A 59 -0.187 29.189 -3.962 1.00 0.00 C ATOM 730 CD LYS A 59 -0.348 28.423 -5.273 1.00 0.00 C ATOM 731 CE LYS A 59 -0.805 26.990 -5.045 1.00 0.00 C ATOM 732 NZ LYS A 59 -0.997 26.265 -6.324 1.00 0.00 N ATOM 0 H LYS A 59 -2.098 31.787 -3.798 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.871 29.125 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.338 29.885 -2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.729 28.254 -2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.157 30.201 -4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.583 28.711 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.071 28.937 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.601 28.420 -5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.068 26.466 -4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.739 26.991 -4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.308 25.292 -6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.718 26.751 -6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.099 26.242 -6.848 1.00 0.00 H new ATOM 746 N CYS A 60 -4.568 30.939 -2.975 1.00 0.00 N ATOM 747 CA CYS A 60 -5.788 31.040 -2.193 1.00 0.00 C ATOM 748 C CYS A 60 -7.016 30.965 -3.098 1.00 0.00 C ATOM 749 O CYS A 60 -6.956 31.335 -4.277 1.00 0.00 O ATOM 750 CB CYS A 60 -5.789 32.309 -1.324 1.00 0.00 C ATOM 751 SG CYS A 60 -5.018 33.751 -2.089 1.00 0.00 S ATOM 0 H CYS A 60 -4.265 31.811 -3.409 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.830 30.190 -1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.819 32.557 -1.070 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.273 32.092 -0.389 1.00 0.00 H new ATOM 0 HG CYS A 60 -5.935 34.618 -2.403 1.00 0.00 H new ATOM 756 N GLY A 61 -8.119 30.479 -2.545 1.00 0.00 N ATOM 757 CA GLY A 61 -9.335 30.271 -3.323 1.00 0.00 C ATOM 758 C GLY A 61 -9.991 31.555 -3.813 1.00 0.00 C ATOM 759 O GLY A 61 -9.498 32.660 -3.567 1.00 0.00 O ATOM 0 H GLY A 61 -8.198 30.221 -1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.099 29.645 -4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.052 29.719 -2.715 1.00 0.00 H new ATOM 763 N SER A 62 -11.126 31.396 -4.481 1.00 0.00 N ATOM 764 CA SER A 62 -11.864 32.506 -5.071 1.00 0.00 C ATOM 765 C SER A 62 -12.743 33.216 -4.038 1.00 0.00 C ATOM 766 O SER A 62 -13.519 34.106 -4.377 1.00 0.00 O ATOM 767 CB SER A 62 -12.720 31.999 -6.231 1.00 0.00 C ATOM 768 OG SER A 62 -11.928 31.293 -7.173 1.00 0.00 O ATOM 0 H SER A 62 -11.564 30.487 -4.630 1.00 0.00 H new ATOM 0 HA SER A 62 -11.140 33.232 -5.441 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.507 31.348 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.211 32.840 -6.720 1.00 0.00 H new ATOM 0 HG SER A 62 -12.420 30.507 -7.490 1.00 0.00 H new ATOM 774 N SER A 63 -12.615 32.825 -2.788 1.00 0.00 N ATOM 775 CA SER A 63 -13.375 33.447 -1.726 1.00 0.00 C ATOM 776 C SER A 63 -12.466 34.325 -0.866 1.00 0.00 C ATOM 777 O SER A 63 -12.864 34.795 0.203 1.00 0.00 O ATOM 778 CB SER A 63 -14.052 32.372 -0.876 1.00 0.00 C ATOM 779 OG SER A 63 -14.772 31.461 -1.698 1.00 0.00 O ATOM 0 H SER A 63 -11.991 32.078 -2.483 1.00 0.00 H new ATOM 0 HA SER A 63 -14.145 34.083 -2.163 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.302 31.833 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.730 32.839 -0.162 1.00 0.00 H new ATOM 0 HG SER A 63 -15.197 30.779 -1.137 1.00 0.00 H new ATOM 785 N CYS A 64 -11.245 34.558 -1.348 1.00 0.00 N ATOM 786 CA CYS A 64 -10.282 35.364 -0.619 1.00 0.00 C ATOM 787 C CYS A 64 -10.494 36.856 -0.897 1.00 0.00 C ATOM 788 O CYS A 64 -11.314 37.233 -1.743 1.00 0.00 O ATOM 789 CB CYS A 64 -8.850 34.943 -0.985 1.00 0.00 C ATOM 790 SG CYS A 64 -7.551 35.863 -0.116 1.00 0.00 S ATOM 0 H CYS A 64 -10.905 34.198 -2.240 1.00 0.00 H new ATOM 0 HA CYS A 64 -10.433 35.197 0.447 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.731 33.881 -0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.711 35.069 -2.059 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.401 35.296 -0.329 1.00 0.00 H new ATOM 795 N SER A 65 -9.751 37.692 -0.187 1.00 0.00 N ATOM 796 CA SER A 65 -9.844 39.133 -0.318 1.00 0.00 C ATOM 797 C SER A 65 -9.405 39.597 -1.707 1.00 0.00 C ATOM 798 O SER A 65 -9.926 40.575 -2.231 1.00 0.00 O ATOM 799 CB SER A 65 -8.981 39.800 0.749 1.00 0.00 C ATOM 800 OG SER A 65 -9.229 39.229 2.023 1.00 0.00 O ATOM 0 H SER A 65 -9.063 37.384 0.500 1.00 0.00 H new ATOM 0 HA SER A 65 -10.887 39.421 -0.183 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.927 39.688 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.190 40.869 0.777 1.00 0.00 H new ATOM 0 HG SER A 65 -8.665 39.668 2.694 1.00 0.00 H new ATOM 806 N CYS A 66 -8.458 38.878 -2.311 1.00 0.00 N ATOM 807 CA CYS A 66 -7.956 39.244 -3.633 1.00 0.00 C ATOM 808 C CYS A 66 -8.886 38.743 -4.736 1.00 0.00 C ATOM 809 O CYS A 66 -8.552 38.802 -5.916 1.00 0.00 O ATOM 810 CB CYS A 66 -6.532 38.697 -3.849 1.00 0.00 C ATOM 811 SG CYS A 66 -6.367 36.897 -3.695 1.00 0.00 S ATOM 0 H CYS A 66 -8.027 38.046 -1.909 1.00 0.00 H new ATOM 0 HA CYS A 66 -7.923 40.332 -3.683 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.192 38.994 -4.841 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.865 39.170 -3.129 1.00 0.00 H new ATOM 0 HG CYS A 66 -6.753 36.526 -2.511 1.00 0.00 H new ATOM 816 N LYS A 67 -10.059 38.277 -4.347 1.00 0.00 N ATOM 817 CA LYS A 67 -11.016 37.719 -5.293 1.00 0.00 C ATOM 818 C LYS A 67 -12.331 38.500 -5.261 1.00 0.00 C ATOM 819 O LYS A 67 -12.352 39.646 -5.798 1.00 0.00 O ATOM 820 CB LYS A 67 -11.265 36.256 -4.945 1.00 0.00 C ATOM 821 CG LYS A 67 -9.985 35.457 -4.743 1.00 0.00 C ATOM 822 CD LYS A 67 -9.314 35.122 -6.063 1.00 0.00 C ATOM 823 CE LYS A 67 -7.805 35.031 -5.912 1.00 0.00 C ATOM 824 NZ LYS A 67 -7.379 34.090 -4.841 1.00 0.00 N ATOM 0 H LYS A 67 -10.376 38.273 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.606 37.793 -6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.865 36.203 -4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.850 35.795 -5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.296 36.027 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.213 34.536 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.701 34.175 -6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.562 35.884 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.370 34.714 -6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.408 36.022 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.557 33.542 -5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.121 34.628 -3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.161 33.441 -4.618 1.00 0.00 H new