USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 271 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 15 ASN : amide:sc= -6.76! C(o=-17!,f=-21!) USER MOD Set 1.2: A 16 HIS : no HE2:sc= -9.66! C(o=-17!,f=-19!) USER MOD Set 1.3: A 34 CYS SG : rot 175:sc= 1.12 USER MOD Set 1.4: A 36 CYS SG : rot -144:sc= -0.302! USER MOD Set 1.5: A 39 CYS SG : rot 146:sc= -1.5 USER MOD Set 2.1: A 10 CYS SG : rot 110:sc= 0.107 USER MOD Set 2.2: A 13 CYS SG : rot -73:sc= -4.87! USER MOD Set 2.3: A 25 HIS :FLIP no HD1:sc= -23.7! C(o=-38!,f=-35!) USER MOD Set 2.4: A 29 CYS SG : rot 116:sc= -6.39! USER MOD Set 3.1: A 9 ASN : amide:sc= -4.16! C(o=-4.2!,f=-7.8!) USER MOD Set 3.2: A 19 LYS NZ :NH3+ 170:sc= -0.0851 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.21! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -113:sc= -0.0199 (180deg=-0.416) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N ASN A 9 -19.676 7.744 -9.264 1.00 0.00 N ATOM 125 CA ASN A 9 -20.821 7.129 -10.002 1.00 0.00 C ATOM 126 C ASN A 9 -21.517 6.070 -9.145 1.00 0.00 C ATOM 127 O ASN A 9 -21.023 5.652 -8.118 1.00 0.00 O ATOM 128 CB ASN A 9 -20.206 6.515 -11.270 1.00 0.00 C ATOM 129 CG ASN A 9 -19.752 5.073 -11.012 1.00 0.00 C ATOM 130 OD1 ASN A 9 -20.560 4.212 -10.726 1.00 0.00 O ATOM 131 ND2 ASN A 9 -18.486 4.774 -11.105 1.00 0.00 N ATOM 0 HA ASN A 9 -21.588 7.863 -10.249 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.937 6.532 -12.079 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.357 7.116 -11.595 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.174 3.817 -10.938 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.808 5.497 -11.345 1.00 0.00 H new ATOM 138 N CYS A 10 -22.671 5.638 -9.568 1.00 0.00 N ATOM 139 CA CYS A 10 -23.412 4.609 -8.793 1.00 0.00 C ATOM 140 C CYS A 10 -22.889 3.217 -9.163 1.00 0.00 C ATOM 141 O CYS A 10 -22.679 2.917 -10.324 1.00 0.00 O ATOM 142 CB CYS A 10 -24.864 4.757 -9.236 1.00 0.00 C ATOM 143 SG CYS A 10 -25.840 3.421 -8.528 1.00 0.00 S ATOM 0 H CYS A 10 -23.133 5.955 -10.420 1.00 0.00 H new ATOM 0 HA CYS A 10 -23.297 4.731 -7.716 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -25.258 5.721 -8.914 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -24.929 4.733 -10.324 1.00 0.00 H new ATOM 0 HG CYS A 10 -26.634 3.899 -7.617 1.00 0.00 H new ATOM 148 N ALA A 11 -22.663 2.363 -8.201 1.00 0.00 N ATOM 149 CA ALA A 11 -22.140 1.015 -8.553 1.00 0.00 C ATOM 150 C ALA A 11 -23.273 0.059 -8.923 1.00 0.00 C ATOM 151 O ALA A 11 -23.085 -0.899 -9.644 1.00 0.00 O ATOM 152 CB ALA A 11 -21.395 0.510 -7.322 1.00 0.00 C ATOM 0 H ALA A 11 -22.814 2.536 -7.207 1.00 0.00 H new ATOM 0 HA ALA A 11 -21.485 1.070 -9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -20.988 -0.481 -7.524 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.581 1.195 -7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -22.083 0.454 -6.478 1.00 0.00 H new ATOM 158 N ARG A 12 -24.444 0.313 -8.453 1.00 0.00 N ATOM 159 CA ARG A 12 -25.582 -0.574 -8.797 1.00 0.00 C ATOM 160 C ARG A 12 -25.764 -0.610 -10.302 1.00 0.00 C ATOM 161 O ARG A 12 -25.935 -1.654 -10.900 1.00 0.00 O ATOM 162 CB ARG A 12 -26.771 0.107 -8.141 1.00 0.00 C ATOM 163 CG ARG A 12 -28.011 -0.757 -8.308 1.00 0.00 C ATOM 164 CD ARG A 12 -28.442 -1.315 -6.950 1.00 0.00 C ATOM 165 NE ARG A 12 -27.193 -1.842 -6.333 1.00 0.00 N ATOM 166 CZ ARG A 12 -27.051 -1.823 -5.036 1.00 0.00 C ATOM 167 NH1 ARG A 12 -27.707 -2.674 -4.296 1.00 0.00 N ATOM 168 NH2 ARG A 12 -26.251 -0.955 -4.479 1.00 0.00 N ATOM 0 H ARG A 12 -24.671 1.098 -7.842 1.00 0.00 H new ATOM 0 HA ARG A 12 -25.446 -1.604 -8.466 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -26.570 0.271 -7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -26.935 1.087 -8.590 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -28.819 -0.169 -8.743 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -27.805 -1.575 -8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -28.891 -0.539 -6.330 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -29.187 -2.102 -7.066 1.00 0.00 H new ATOM 0 HE ARG A 12 -26.450 -2.217 -6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -28.331 -3.354 -4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -27.596 -2.660 -3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -25.736 -0.291 -5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -26.140 -0.941 -3.465 1.00 0.00 H new ATOM 182 N CYS A 13 -25.755 0.529 -10.908 1.00 0.00 N ATOM 183 CA CYS A 13 -25.959 0.577 -12.381 1.00 0.00 C ATOM 184 C CYS A 13 -24.645 0.355 -13.171 1.00 0.00 C ATOM 185 O CYS A 13 -24.688 -0.029 -14.328 1.00 0.00 O ATOM 186 CB CYS A 13 -26.579 1.958 -12.636 1.00 0.00 C ATOM 187 SG CYS A 13 -25.493 3.230 -12.047 1.00 0.00 S ATOM 0 H CYS A 13 -25.616 1.432 -10.455 1.00 0.00 H new ATOM 0 HA CYS A 13 -26.606 -0.228 -12.730 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -26.764 2.091 -13.702 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -27.544 2.031 -12.134 1.00 0.00 H new ATOM 0 HG CYS A 13 -25.519 3.255 -10.747 1.00 0.00 H new ATOM 192 N ARG A 14 -23.472 0.548 -12.601 1.00 0.00 N ATOM 193 CA ARG A 14 -22.250 0.282 -13.440 1.00 0.00 C ATOM 194 C ARG A 14 -22.141 -1.208 -13.735 1.00 0.00 C ATOM 195 O ARG A 14 -21.541 -1.626 -14.705 1.00 0.00 O ATOM 196 CB ARG A 14 -21.023 0.723 -12.632 1.00 0.00 C ATOM 197 CG ARG A 14 -21.048 0.103 -11.234 1.00 0.00 C ATOM 198 CD ARG A 14 -20.819 -1.410 -11.266 1.00 0.00 C ATOM 199 NE ARG A 14 -19.686 -1.650 -10.329 1.00 0.00 N ATOM 200 CZ ARG A 14 -19.015 -2.768 -10.390 1.00 0.00 C ATOM 201 NH1 ARG A 14 -19.642 -3.894 -10.594 1.00 0.00 N ATOM 202 NH2 ARG A 14 -17.719 -2.759 -10.247 1.00 0.00 N ATOM 0 H ARG A 14 -23.310 0.861 -11.644 1.00 0.00 H new ATOM 0 HA ARG A 14 -22.314 0.826 -14.382 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -20.112 0.425 -13.152 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -21.004 1.810 -12.553 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -20.281 0.571 -10.617 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -22.008 0.313 -10.763 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -21.712 -1.951 -10.952 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -20.577 -1.751 -12.273 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.435 -0.941 -9.640 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -20.656 -3.900 -10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -19.118 -4.768 -10.642 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.230 -1.878 -10.087 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -17.195 -3.633 -10.295 1.00 0.00 H new ATOM 216 N ASN A 15 -22.690 -2.008 -12.876 1.00 0.00 N ATOM 217 CA ASN A 15 -22.605 -3.475 -13.051 1.00 0.00 C ATOM 218 C ASN A 15 -22.944 -3.838 -14.481 1.00 0.00 C ATOM 219 O ASN A 15 -22.424 -4.774 -15.055 1.00 0.00 O ATOM 220 CB ASN A 15 -23.661 -4.006 -12.096 1.00 0.00 C ATOM 221 CG ASN A 15 -23.144 -3.858 -10.676 1.00 0.00 C ATOM 222 OD1 ASN A 15 -22.088 -4.354 -10.337 1.00 0.00 O ATOM 223 ND2 ASN A 15 -23.857 -3.184 -9.828 1.00 0.00 N ATOM 0 H ASN A 15 -23.202 -1.703 -12.048 1.00 0.00 H new ATOM 0 HA ASN A 15 -21.614 -3.883 -12.850 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -24.594 -3.456 -12.219 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -23.877 -5.052 -12.313 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -23.532 -3.067 -8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -24.742 -2.771 -10.121 1.00 0.00 H new ATOM 230 N HIS A 16 -23.839 -3.100 -15.038 1.00 0.00 N ATOM 231 CA HIS A 16 -24.284 -3.361 -16.424 1.00 0.00 C ATOM 232 C HIS A 16 -23.614 -2.398 -17.408 1.00 0.00 C ATOM 233 O HIS A 16 -23.658 -2.595 -18.606 1.00 0.00 O ATOM 234 CB HIS A 16 -25.781 -3.143 -16.329 1.00 0.00 C ATOM 235 CG HIS A 16 -26.315 -4.121 -15.344 1.00 0.00 C ATOM 236 ND1 HIS A 16 -26.907 -5.318 -15.728 1.00 0.00 N ATOM 237 CD2 HIS A 16 -26.320 -4.113 -13.983 1.00 0.00 C ATOM 238 CE1 HIS A 16 -27.241 -5.974 -14.606 1.00 0.00 C ATOM 239 NE2 HIS A 16 -26.907 -5.278 -13.524 1.00 0.00 N ATOM 0 H HIS A 16 -24.294 -2.308 -14.585 1.00 0.00 H new ATOM 0 HA HIS A 16 -24.024 -4.352 -16.797 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -26.000 -2.123 -16.014 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -26.251 -3.284 -17.302 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -27.059 -5.638 -16.684 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -25.928 -3.322 -13.360 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -27.719 -6.942 -14.585 1.00 0.00 H new ATOM 247 N GLY A 17 -22.982 -1.369 -16.917 1.00 0.00 N ATOM 248 CA GLY A 17 -22.301 -0.413 -17.839 1.00 0.00 C ATOM 249 C GLY A 17 -22.968 0.952 -17.738 1.00 0.00 C ATOM 250 O GLY A 17 -23.018 1.706 -18.690 1.00 0.00 O ATOM 0 H GLY A 17 -22.907 -1.148 -15.924 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -21.245 -0.333 -17.582 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.353 -0.780 -18.864 1.00 0.00 H new ATOM 254 N LEU A 18 -23.484 1.274 -16.590 1.00 0.00 N ATOM 255 CA LEU A 18 -24.153 2.589 -16.419 1.00 0.00 C ATOM 256 C LEU A 18 -23.224 3.551 -15.668 1.00 0.00 C ATOM 257 O LEU A 18 -22.360 3.137 -14.920 1.00 0.00 O ATOM 258 CB LEU A 18 -25.400 2.273 -15.594 1.00 0.00 C ATOM 259 CG LEU A 18 -26.589 3.067 -16.128 1.00 0.00 C ATOM 260 CD1 LEU A 18 -26.314 4.556 -15.971 1.00 0.00 C ATOM 261 CD2 LEU A 18 -26.795 2.741 -17.609 1.00 0.00 C ATOM 0 H LEU A 18 -23.472 0.682 -15.760 1.00 0.00 H new ATOM 0 HA LEU A 18 -24.401 3.070 -17.365 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -25.615 1.205 -15.638 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -25.227 2.521 -14.547 1.00 0.00 H new ATOM 0 HG LEU A 18 -27.486 2.801 -15.569 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -27.162 5.125 -16.352 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -26.165 4.789 -14.917 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -25.418 4.822 -16.532 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -27.644 3.307 -17.992 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -25.899 3.008 -18.169 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -26.989 1.675 -17.723 1.00 0.00 H new ATOM 273 N LYS A 19 -23.399 4.828 -15.860 1.00 0.00 N ATOM 274 CA LYS A 19 -22.540 5.825 -15.163 1.00 0.00 C ATOM 275 C LYS A 19 -23.338 7.110 -14.972 1.00 0.00 C ATOM 276 O LYS A 19 -23.384 7.969 -15.830 1.00 0.00 O ATOM 277 CB LYS A 19 -21.346 6.054 -16.089 1.00 0.00 C ATOM 278 CG LYS A 19 -20.094 6.303 -15.245 1.00 0.00 C ATOM 279 CD LYS A 19 -19.783 5.060 -14.407 1.00 0.00 C ATOM 280 CE LYS A 19 -18.608 4.306 -15.032 1.00 0.00 C ATOM 281 NZ LYS A 19 -17.821 3.795 -13.875 1.00 0.00 N ATOM 0 H LYS A 19 -24.107 5.227 -16.476 1.00 0.00 H new ATOM 0 HA LYS A 19 -22.209 5.490 -14.180 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.198 5.187 -16.733 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.535 6.907 -16.741 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.249 6.539 -15.891 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.247 7.164 -14.594 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.541 5.349 -13.384 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.659 4.413 -14.357 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.955 3.489 -15.665 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.006 4.963 -15.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.098 3.129 -14.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.358 4.591 -13.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.456 3.308 -13.211 1.00 0.00 H new ATOM 295 N ILE A 20 -24.000 7.220 -13.863 1.00 0.00 N ATOM 296 CA ILE A 20 -24.847 8.420 -13.601 1.00 0.00 C ATOM 297 C ILE A 20 -24.147 9.386 -12.625 1.00 0.00 C ATOM 298 O ILE A 20 -24.668 10.440 -12.323 1.00 0.00 O ATOM 299 CB ILE A 20 -26.173 7.856 -13.017 1.00 0.00 C ATOM 300 CG1 ILE A 20 -26.253 8.066 -11.509 1.00 0.00 C ATOM 301 CG2 ILE A 20 -26.333 6.369 -13.358 1.00 0.00 C ATOM 302 CD1 ILE A 20 -25.651 6.881 -10.803 1.00 0.00 C ATOM 0 H ILE A 20 -23.994 6.526 -13.115 1.00 0.00 H new ATOM 0 HA ILE A 20 -25.030 9.005 -14.503 1.00 0.00 H new ATOM 0 HB ILE A 20 -26.992 8.408 -13.477 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -25.723 8.977 -11.230 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -27.291 8.195 -11.204 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -27.268 5.998 -12.938 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -26.346 6.243 -14.441 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -25.499 5.807 -12.938 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -25.709 7.032 -9.725 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -26.200 5.979 -11.073 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -24.608 6.773 -11.099 1.00 0.00 H new ATOM 314 N THR A 21 -22.996 9.015 -12.114 1.00 0.00 N ATOM 315 CA THR A 21 -22.260 9.891 -11.129 1.00 0.00 C ATOM 316 C THR A 21 -22.848 9.716 -9.715 1.00 0.00 C ATOM 317 O THR A 21 -22.377 10.292 -8.754 1.00 0.00 O ATOM 318 CB THR A 21 -22.445 11.332 -11.614 1.00 0.00 C ATOM 319 OG1 THR A 21 -22.438 11.356 -13.034 1.00 0.00 O ATOM 320 CG2 THR A 21 -21.307 12.203 -11.080 1.00 0.00 C ATOM 0 H THR A 21 -22.527 8.137 -12.335 1.00 0.00 H new ATOM 0 HA THR A 21 -21.204 9.627 -11.074 1.00 0.00 H new ATOM 0 HB THR A 21 -23.396 11.719 -11.249 1.00 0.00 H new ATOM 0 HG1 THR A 21 -22.558 12.277 -13.346 1.00 0.00 H new ATOM 0 HG21 THR A 21 -21.440 13.228 -11.426 1.00 0.00 H new ATOM 0 HG22 THR A 21 -21.315 12.184 -9.990 1.00 0.00 H new ATOM 0 HG23 THR A 21 -20.354 11.819 -11.443 1.00 0.00 H new ATOM 328 N LEU A 22 -23.867 8.912 -9.598 1.00 0.00 N ATOM 329 CA LEU A 22 -24.517 8.649 -8.269 1.00 0.00 C ATOM 330 C LEU A 22 -24.900 9.961 -7.566 1.00 0.00 C ATOM 331 O LEU A 22 -25.216 9.982 -6.393 1.00 0.00 O ATOM 332 CB LEU A 22 -23.471 7.856 -7.480 1.00 0.00 C ATOM 333 CG LEU A 22 -23.748 7.941 -5.977 1.00 0.00 C ATOM 334 CD1 LEU A 22 -25.192 7.521 -5.694 1.00 0.00 C ATOM 335 CD2 LEU A 22 -22.794 7.001 -5.237 1.00 0.00 C ATOM 0 H LEU A 22 -24.290 8.412 -10.380 1.00 0.00 H new ATOM 0 HA LEU A 22 -25.452 8.097 -8.364 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -23.481 6.814 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -22.475 8.245 -7.694 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.597 8.966 -5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -25.386 7.583 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -25.875 8.184 -6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -25.346 6.496 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -22.986 7.057 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -22.951 5.979 -5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -21.764 7.297 -5.437 1.00 0.00 H new ATOM 347 N LYS A 23 -24.913 11.055 -8.275 1.00 0.00 N ATOM 348 CA LYS A 23 -25.315 12.339 -7.634 1.00 0.00 C ATOM 349 C LYS A 23 -26.842 12.389 -7.549 1.00 0.00 C ATOM 350 O LYS A 23 -27.519 12.423 -8.557 1.00 0.00 O ATOM 351 CB LYS A 23 -24.787 13.436 -8.561 1.00 0.00 C ATOM 352 CG LYS A 23 -24.229 14.590 -7.726 1.00 0.00 C ATOM 353 CD LYS A 23 -23.871 15.758 -8.646 1.00 0.00 C ATOM 354 CE LYS A 23 -24.838 16.917 -8.399 1.00 0.00 C ATOM 355 NZ LYS A 23 -24.006 17.985 -7.779 1.00 0.00 N ATOM 0 H LYS A 23 -24.665 11.117 -9.262 1.00 0.00 H new ATOM 0 HA LYS A 23 -24.920 12.454 -6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -24.009 13.034 -9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -25.587 13.796 -9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.965 14.907 -6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -23.347 14.262 -7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.846 16.080 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.923 15.443 -9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -25.291 17.259 -9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -25.653 16.618 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -24.599 18.815 -7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -23.594 17.633 -6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -23.243 18.254 -8.432 1.00 0.00 H new ATOM 369 N GLY A 24 -27.402 12.361 -6.364 1.00 0.00 N ATOM 370 CA GLY A 24 -28.891 12.370 -6.261 1.00 0.00 C ATOM 371 C GLY A 24 -29.414 11.320 -7.238 1.00 0.00 C ATOM 372 O GLY A 24 -30.067 11.629 -8.216 1.00 0.00 O ATOM 0 H GLY A 24 -26.900 12.333 -5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -29.208 12.142 -5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -29.288 13.355 -6.505 1.00 0.00 H new ATOM 376 N HIS A 25 -29.074 10.083 -7.005 1.00 0.00 N ATOM 377 CA HIS A 25 -29.479 8.999 -7.941 1.00 0.00 C ATOM 378 C HIS A 25 -30.221 7.874 -7.211 1.00 0.00 C ATOM 379 O HIS A 25 -31.407 7.961 -6.966 1.00 0.00 O ATOM 380 CB HIS A 25 -28.138 8.513 -8.479 1.00 0.00 C ATOM 381 CG HIS A 25 -28.294 7.296 -9.348 1.00 0.00 C ATOM 382 ND1 HIS A 25 -27.730 6.046 -9.273 1.00 0.00 N flip ATOM 383 CD2 HIS A 25 -28.981 7.326 -10.554 1.00 0.00 C flip ATOM 384 CE1 HIS A 25 -28.042 5.329 -10.406 1.00 0.00 C flip ATOM 385 NE2 HIS A 25 -28.786 6.137 -11.153 1.00 0.00 N flip ATOM 0 H HIS A 25 -28.529 9.775 -6.200 1.00 0.00 H new ATOM 0 HA HIS A 25 -30.168 9.334 -8.717 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -27.665 9.311 -9.052 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -27.474 8.282 -7.646 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -29.563 8.150 -10.939 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -27.743 4.318 -10.639 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -29.163 5.887 -12.067 1.00 0.00 H new ATOM 393 N LYS A 26 -29.535 6.811 -6.875 1.00 0.00 N ATOM 394 CA LYS A 26 -30.206 5.678 -6.183 1.00 0.00 C ATOM 395 C LYS A 26 -31.562 5.399 -6.843 1.00 0.00 C ATOM 396 O LYS A 26 -31.647 4.684 -7.820 1.00 0.00 O ATOM 397 CB LYS A 26 -30.390 6.136 -4.735 1.00 0.00 C ATOM 398 CG LYS A 26 -29.050 6.073 -4.000 1.00 0.00 C ATOM 399 CD LYS A 26 -29.017 7.145 -2.909 1.00 0.00 C ATOM 400 CE LYS A 26 -27.635 7.165 -2.251 1.00 0.00 C ATOM 401 NZ LYS A 26 -27.101 8.529 -2.522 1.00 0.00 N ATOM 0 H LYS A 26 -28.539 6.682 -7.052 1.00 0.00 H new ATOM 0 HA LYS A 26 -29.626 4.757 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.781 7.153 -4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -31.121 5.502 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -28.911 5.086 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -28.230 6.227 -4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -29.241 8.122 -3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -29.784 6.942 -2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -27.704 6.974 -1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -26.986 6.396 -2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -26.154 8.621 -2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -27.040 8.680 -3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -27.736 9.239 -2.105 1.00 0.00 H new ATOM 415 N ARG A 27 -32.622 5.966 -6.329 1.00 0.00 N ATOM 416 CA ARG A 27 -33.956 5.734 -6.951 1.00 0.00 C ATOM 417 C ARG A 27 -33.854 5.936 -8.464 1.00 0.00 C ATOM 418 O ARG A 27 -34.608 5.373 -9.233 1.00 0.00 O ATOM 419 CB ARG A 27 -34.878 6.782 -6.326 1.00 0.00 C ATOM 420 CG ARG A 27 -36.334 6.327 -6.460 1.00 0.00 C ATOM 421 CD ARG A 27 -36.954 6.183 -5.069 1.00 0.00 C ATOM 422 NE ARG A 27 -37.562 7.511 -4.778 1.00 0.00 N ATOM 423 CZ ARG A 27 -38.559 7.603 -3.940 1.00 0.00 C ATOM 424 NH1 ARG A 27 -38.423 7.171 -2.715 1.00 0.00 N ATOM 425 NH2 ARG A 27 -39.689 8.127 -4.327 1.00 0.00 N ATOM 0 H ARG A 27 -32.621 6.575 -5.511 1.00 0.00 H new ATOM 0 HA ARG A 27 -34.329 4.724 -6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -34.625 6.924 -5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -34.740 7.744 -6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -36.899 7.050 -7.049 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -36.382 5.376 -6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -37.705 5.393 -5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -36.200 5.923 -4.326 1.00 0.00 H new ATOM 0 HE ARG A 27 -37.200 8.349 -5.233 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -37.538 6.762 -2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -39.201 7.242 -2.060 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -39.793 8.465 -5.284 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -40.468 8.199 -3.673 1.00 0.00 H new ATOM 439 N TYR A 28 -32.914 6.734 -8.895 1.00 0.00 N ATOM 440 CA TYR A 28 -32.741 6.974 -10.356 1.00 0.00 C ATOM 441 C TYR A 28 -31.833 5.899 -10.952 1.00 0.00 C ATOM 442 O TYR A 28 -31.274 6.063 -12.019 1.00 0.00 O ATOM 443 CB TYR A 28 -32.072 8.344 -10.455 1.00 0.00 C ATOM 444 CG TYR A 28 -33.037 9.412 -9.993 1.00 0.00 C ATOM 445 CD1 TYR A 28 -34.276 9.557 -10.629 1.00 0.00 C ATOM 446 CD2 TYR A 28 -32.693 10.256 -8.931 1.00 0.00 C ATOM 447 CE1 TYR A 28 -35.171 10.545 -10.203 1.00 0.00 C ATOM 448 CE2 TYR A 28 -33.588 11.245 -8.505 1.00 0.00 C ATOM 449 CZ TYR A 28 -34.826 11.389 -9.140 1.00 0.00 C ATOM 450 OH TYR A 28 -35.707 12.364 -8.720 1.00 0.00 O ATOM 0 H TYR A 28 -32.256 7.232 -8.295 1.00 0.00 H new ATOM 0 HA TYR A 28 -33.686 6.941 -10.898 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -31.170 8.365 -9.843 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -31.765 8.537 -11.483 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -34.541 8.906 -11.449 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -31.737 10.145 -8.440 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -36.127 10.656 -10.693 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -33.322 11.897 -7.686 1.00 0.00 H new ATOM 0 HH TYR A 28 -35.313 12.861 -7.972 1.00 0.00 H new ATOM 460 N CYS A 29 -31.669 4.804 -10.264 1.00 0.00 N ATOM 461 CA CYS A 29 -30.785 3.724 -10.781 1.00 0.00 C ATOM 462 C CYS A 29 -31.593 2.658 -11.512 1.00 0.00 C ATOM 463 O CYS A 29 -32.371 1.945 -10.915 1.00 0.00 O ATOM 464 CB CYS A 29 -30.140 3.108 -9.539 1.00 0.00 C ATOM 465 SG CYS A 29 -28.774 2.034 -10.044 1.00 0.00 S ATOM 0 H CYS A 29 -32.110 4.611 -9.365 1.00 0.00 H new ATOM 0 HA CYS A 29 -30.054 4.116 -11.489 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -29.775 3.894 -8.878 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -30.879 2.536 -8.977 1.00 0.00 H new ATOM 0 HG CYS A 29 -27.655 2.510 -9.585 1.00 0.00 H new ATOM 470 N LYS A 30 -31.393 2.499 -12.790 1.00 0.00 N ATOM 471 CA LYS A 30 -32.139 1.425 -13.502 1.00 0.00 C ATOM 472 C LYS A 30 -31.857 0.100 -12.784 1.00 0.00 C ATOM 473 O LYS A 30 -32.585 -0.865 -12.905 1.00 0.00 O ATOM 474 CB LYS A 30 -31.572 1.406 -14.922 1.00 0.00 C ATOM 475 CG LYS A 30 -32.720 1.284 -15.927 1.00 0.00 C ATOM 476 CD LYS A 30 -32.302 0.361 -17.074 1.00 0.00 C ATOM 477 CE LYS A 30 -31.304 1.088 -17.978 1.00 0.00 C ATOM 478 NZ LYS A 30 -32.133 2.013 -18.802 1.00 0.00 N ATOM 0 H LYS A 30 -30.758 3.054 -13.364 1.00 0.00 H new ATOM 0 HA LYS A 30 -33.217 1.584 -13.520 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.004 2.317 -15.111 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.882 0.570 -15.039 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -33.608 0.889 -15.434 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -32.983 2.268 -16.316 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -31.853 -0.549 -16.677 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -33.177 0.060 -17.649 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -30.566 1.636 -17.391 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -30.755 0.385 -18.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -32.108 1.709 -19.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -33.115 1.997 -18.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -31.756 2.979 -18.725 1.00 0.00 H new ATOM 492 N PHE A 31 -30.789 0.074 -12.032 1.00 0.00 N ATOM 493 CA PHE A 31 -30.393 -1.144 -11.270 1.00 0.00 C ATOM 494 C PHE A 31 -30.690 -0.921 -9.780 1.00 0.00 C ATOM 495 O PHE A 31 -30.289 -1.688 -8.929 1.00 0.00 O ATOM 496 CB PHE A 31 -28.884 -1.240 -11.558 1.00 0.00 C ATOM 497 CG PHE A 31 -28.724 -1.219 -13.054 1.00 0.00 C ATOM 498 CD1 PHE A 31 -28.699 0.005 -13.732 1.00 0.00 C ATOM 499 CD2 PHE A 31 -28.640 -2.417 -13.768 1.00 0.00 C ATOM 500 CE1 PHE A 31 -28.586 0.032 -15.123 1.00 0.00 C ATOM 501 CE2 PHE A 31 -28.523 -2.393 -15.160 1.00 0.00 C ATOM 502 CZ PHE A 31 -28.497 -1.168 -15.840 1.00 0.00 C ATOM 0 H PHE A 31 -30.159 0.867 -11.912 1.00 0.00 H new ATOM 0 HA PHE A 31 -30.921 -2.057 -11.546 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -28.350 -0.407 -11.100 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -28.468 -2.156 -11.138 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -28.767 0.930 -13.178 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -28.665 -3.361 -13.244 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -28.567 0.977 -15.646 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -28.453 -3.319 -15.712 1.00 0.00 H new ATOM 0 HZ PHE A 31 -28.408 -1.149 -16.916 1.00 0.00 H new ATOM 512 N ARG A 32 -31.398 0.141 -9.470 1.00 0.00 N ATOM 513 CA ARG A 32 -31.732 0.453 -8.048 1.00 0.00 C ATOM 514 C ARG A 32 -32.170 -0.804 -7.311 1.00 0.00 C ATOM 515 O ARG A 32 -32.008 -0.929 -6.113 1.00 0.00 O ATOM 516 CB ARG A 32 -32.885 1.471 -8.110 1.00 0.00 C ATOM 517 CG ARG A 32 -34.230 0.771 -8.383 1.00 0.00 C ATOM 518 CD ARG A 32 -34.399 0.516 -9.885 1.00 0.00 C ATOM 519 NE ARG A 32 -34.923 1.800 -10.428 1.00 0.00 N ATOM 520 CZ ARG A 32 -35.054 1.963 -11.716 1.00 0.00 C ATOM 521 NH1 ARG A 32 -35.781 1.129 -12.411 1.00 0.00 N ATOM 522 NH2 ARG A 32 -34.461 2.962 -12.310 1.00 0.00 N ATOM 0 H ARG A 32 -31.761 0.809 -10.150 1.00 0.00 H new ATOM 0 HA ARG A 32 -30.871 0.849 -7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -32.941 2.019 -7.169 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -32.687 2.202 -8.894 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -34.274 -0.173 -7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -35.050 1.388 -8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -33.451 0.246 -10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -35.091 -0.305 -10.072 1.00 0.00 H new ATOM 0 HE ARG A 32 -35.180 2.554 -9.791 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -36.247 0.349 -11.947 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -35.883 1.258 -13.418 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -33.895 3.615 -11.768 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -34.563 3.090 -13.317 1.00 0.00 H new ATOM 536 N TYR A 33 -32.743 -1.724 -8.018 1.00 0.00 N ATOM 537 CA TYR A 33 -33.217 -2.973 -7.355 1.00 0.00 C ATOM 538 C TYR A 33 -32.727 -4.208 -8.106 1.00 0.00 C ATOM 539 O TYR A 33 -33.132 -5.317 -7.818 1.00 0.00 O ATOM 540 CB TYR A 33 -34.742 -2.882 -7.390 1.00 0.00 C ATOM 541 CG TYR A 33 -35.203 -1.884 -6.355 1.00 0.00 C ATOM 542 CD1 TYR A 33 -34.648 -1.902 -5.071 1.00 0.00 C ATOM 543 CD2 TYR A 33 -36.181 -0.937 -6.682 1.00 0.00 C ATOM 544 CE1 TYR A 33 -35.071 -0.974 -4.112 1.00 0.00 C ATOM 545 CE2 TYR A 33 -36.604 -0.009 -5.723 1.00 0.00 C ATOM 546 CZ TYR A 33 -36.048 -0.027 -4.438 1.00 0.00 C ATOM 547 OH TYR A 33 -36.465 0.888 -3.493 1.00 0.00 O ATOM 0 H TYR A 33 -32.907 -1.673 -9.023 1.00 0.00 H new ATOM 0 HA TYR A 33 -32.836 -3.066 -6.338 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -35.078 -2.577 -8.381 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -35.181 -3.860 -7.191 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -33.893 -2.632 -4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -36.609 -0.922 -7.674 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -34.643 -0.989 -3.120 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -37.359 0.721 -5.974 1.00 0.00 H new ATOM 0 HH TYR A 33 -37.147 1.474 -3.883 1.00 0.00 H new ATOM 557 N CYS A 34 -31.852 -4.038 -9.055 1.00 0.00 N ATOM 558 CA CYS A 34 -31.343 -5.225 -9.793 1.00 0.00 C ATOM 559 C CYS A 34 -30.898 -6.290 -8.789 1.00 0.00 C ATOM 560 O CYS A 34 -30.794 -6.034 -7.606 1.00 0.00 O ATOM 561 CB CYS A 34 -30.141 -4.728 -10.595 1.00 0.00 C ATOM 562 SG CYS A 34 -29.549 -6.059 -11.658 1.00 0.00 S ATOM 0 H CYS A 34 -31.470 -3.139 -9.350 1.00 0.00 H new ATOM 0 HA CYS A 34 -32.101 -5.665 -10.440 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -30.422 -3.863 -11.196 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -29.348 -4.404 -9.921 1.00 0.00 H new ATOM 0 HG CYS A 34 -28.602 -5.611 -12.427 1.00 0.00 H new ATOM 567 N THR A 35 -30.630 -7.478 -9.248 1.00 0.00 N ATOM 568 CA THR A 35 -30.187 -8.553 -8.313 1.00 0.00 C ATOM 569 C THR A 35 -29.120 -9.433 -8.973 1.00 0.00 C ATOM 570 O THR A 35 -28.700 -10.426 -8.413 1.00 0.00 O ATOM 571 CB THR A 35 -31.446 -9.372 -8.018 1.00 0.00 C ATOM 572 OG1 THR A 35 -32.451 -9.058 -8.971 1.00 0.00 O ATOM 573 CG2 THR A 35 -31.954 -9.047 -6.613 1.00 0.00 C ATOM 0 H THR A 35 -30.697 -7.754 -10.228 1.00 0.00 H new ATOM 0 HA THR A 35 -29.743 -8.145 -7.405 1.00 0.00 H new ATOM 0 HB THR A 35 -31.208 -10.434 -8.078 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.256 -9.584 -8.783 1.00 0.00 H new ATOM 0 HG21 THR A 35 -32.850 -9.632 -6.406 1.00 0.00 H new ATOM 0 HG22 THR A 35 -31.184 -9.292 -5.882 1.00 0.00 H new ATOM 0 HG23 THR A 35 -32.191 -7.985 -6.548 1.00 0.00 H new ATOM 581 N CYS A 36 -28.671 -9.081 -10.150 1.00 0.00 N ATOM 582 CA CYS A 36 -27.626 -9.913 -10.814 1.00 0.00 C ATOM 583 C CYS A 36 -26.494 -10.195 -9.813 1.00 0.00 C ATOM 584 O CYS A 36 -26.515 -9.717 -8.695 1.00 0.00 O ATOM 585 CB CYS A 36 -27.131 -9.079 -11.996 1.00 0.00 C ATOM 586 SG CYS A 36 -26.152 -7.695 -11.392 1.00 0.00 S ATOM 0 H CYS A 36 -28.979 -8.262 -10.675 1.00 0.00 H new ATOM 0 HA CYS A 36 -28.003 -10.878 -11.153 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -26.531 -9.697 -12.664 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -27.978 -8.712 -12.575 1.00 0.00 H new ATOM 0 HG CYS A 36 -26.369 -6.652 -12.137 1.00 0.00 H new ATOM 591 N GLU A 37 -25.516 -10.975 -10.186 1.00 0.00 N ATOM 592 CA GLU A 37 -24.413 -11.287 -9.226 1.00 0.00 C ATOM 593 C GLU A 37 -23.363 -10.169 -9.187 1.00 0.00 C ATOM 594 O GLU A 37 -22.413 -10.229 -8.433 1.00 0.00 O ATOM 595 CB GLU A 37 -23.794 -12.583 -9.745 1.00 0.00 C ATOM 596 CG GLU A 37 -23.215 -13.376 -8.572 1.00 0.00 C ATOM 597 CD GLU A 37 -22.936 -14.813 -9.016 1.00 0.00 C ATOM 598 OE1 GLU A 37 -23.862 -15.608 -9.001 1.00 0.00 O ATOM 599 OE2 GLU A 37 -21.801 -15.095 -9.361 1.00 0.00 O ATOM 0 H GLU A 37 -25.431 -11.408 -11.106 1.00 0.00 H new ATOM 0 HA GLU A 37 -24.788 -11.382 -8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -24.547 -13.177 -10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -23.011 -12.360 -10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -22.296 -12.908 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -23.914 -13.372 -7.736 1.00 0.00 H new ATOM 606 N LYS A 38 -23.537 -9.141 -9.970 1.00 0.00 N ATOM 607 CA LYS A 38 -22.555 -8.016 -9.959 1.00 0.00 C ATOM 608 C LYS A 38 -23.135 -6.868 -9.143 1.00 0.00 C ATOM 609 O LYS A 38 -22.436 -5.981 -8.695 1.00 0.00 O ATOM 610 CB LYS A 38 -22.391 -7.605 -11.424 1.00 0.00 C ATOM 611 CG LYS A 38 -22.204 -8.850 -12.291 1.00 0.00 C ATOM 612 CD LYS A 38 -21.871 -8.427 -13.723 1.00 0.00 C ATOM 613 CE LYS A 38 -20.408 -8.759 -14.027 1.00 0.00 C ATOM 614 NZ LYS A 38 -20.405 -9.218 -15.445 1.00 0.00 N ATOM 0 H LYS A 38 -24.317 -9.029 -10.618 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.597 -8.293 -9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.267 -7.048 -11.756 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -21.532 -6.943 -11.532 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.404 -9.470 -11.888 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -23.111 -9.454 -12.280 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -22.525 -8.941 -14.427 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -22.046 -7.358 -13.848 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.769 -7.886 -13.893 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.032 -9.535 -13.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.435 -9.464 -15.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -21.017 -10.054 -15.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.761 -8.456 -16.057 1.00 0.00 H new ATOM 628 N CYS A 39 -24.415 -6.908 -8.927 1.00 0.00 N ATOM 629 CA CYS A 39 -25.078 -5.863 -8.120 1.00 0.00 C ATOM 630 C CYS A 39 -25.048 -6.327 -6.670 1.00 0.00 C ATOM 631 O CYS A 39 -24.848 -5.554 -5.753 1.00 0.00 O ATOM 632 CB CYS A 39 -26.509 -5.815 -8.648 1.00 0.00 C ATOM 633 SG CYS A 39 -26.688 -4.452 -9.822 1.00 0.00 S ATOM 0 H CYS A 39 -25.037 -7.634 -9.283 1.00 0.00 H new ATOM 0 HA CYS A 39 -24.608 -4.881 -8.180 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -26.759 -6.759 -9.133 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -27.207 -5.687 -7.820 1.00 0.00 H new ATOM 0 HG CYS A 39 -27.536 -4.786 -10.749 1.00 0.00 H new ATOM 638 N ARG A 40 -25.213 -7.610 -6.469 1.00 0.00 N ATOM 639 CA ARG A 40 -25.158 -8.160 -5.093 1.00 0.00 C ATOM 640 C ARG A 40 -23.698 -8.193 -4.652 1.00 0.00 C ATOM 641 O ARG A 40 -23.371 -7.960 -3.506 1.00 0.00 O ATOM 642 CB ARG A 40 -25.726 -9.576 -5.200 1.00 0.00 C ATOM 643 CG ARG A 40 -27.215 -9.508 -5.545 1.00 0.00 C ATOM 644 CD ARG A 40 -27.705 -10.898 -5.960 1.00 0.00 C ATOM 645 NE ARG A 40 -27.620 -11.721 -4.720 1.00 0.00 N ATOM 646 CZ ARG A 40 -28.237 -12.869 -4.656 1.00 0.00 C ATOM 647 NH1 ARG A 40 -28.152 -13.712 -5.649 1.00 0.00 N ATOM 648 NH2 ARG A 40 -28.938 -13.176 -3.598 1.00 0.00 N ATOM 0 H ARG A 40 -25.383 -8.297 -7.204 1.00 0.00 H new ATOM 0 HA ARG A 40 -25.719 -7.570 -4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -25.190 -10.136 -5.966 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -25.584 -10.107 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -27.783 -9.152 -4.685 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -27.380 -8.796 -6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -28.726 -10.860 -6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -27.085 -11.315 -6.754 1.00 0.00 H new ATOM 0 HE ARG A 40 -27.080 -11.387 -3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -27.603 -13.473 -6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -28.634 -14.609 -5.599 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -29.003 -12.518 -2.821 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -29.420 -14.073 -3.548 1.00 0.00 H new