USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 248 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 439 LYS NZ :NH3+ -168:sc= -2.2! (180deg=-3.94!) USER MOD Set 1.2: A 445 THR OG1 : rot 168:sc= 0.656 USER MOD Set 2.1: A 436 THR OG1 : rot -140:sc= 0.457 USER MOD Set 2.2: A 450 ASN : amide:sc= 0.486 K(o=0.94,f=-0.22) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot 138:sc= 0.435! USER MOD Single : A 444 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0.101) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot -85:sc= 0.0504 USER MOD Single : A 449 ASN : amide:sc= 0.103! C(o=0.1!,f=-11!) USER MOD Single : A 452 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= 0 USER MOD Single : A 459 LYS NZ :NH3+ 162:sc= 1.2 (180deg=1.09) USER MOD Single : A 461 GLN : amide:sc= -0.057 K(o=-0.057,f=-0.6) USER MOD Single : A 464 LYS NZ :NH3+ -169:sc= -2.06! (180deg=-2.99!) USER MOD ----------------------------------------------------------------- ATOM 86 N TRP A 435 5.394 3.591 -0.958 1.00 15.00 N ATOM 87 CA TRP A 435 4.337 2.598 -0.977 1.00 15.00 C ATOM 88 C TRP A 435 4.300 1.939 -2.344 1.00 15.00 C ATOM 89 O TRP A 435 4.023 2.593 -3.349 1.00 15.00 O ATOM 90 CB TRP A 435 2.978 3.235 -0.668 1.00 15.00 C ATOM 91 CG TRP A 435 2.775 3.578 0.777 1.00 15.00 C ATOM 92 CD1 TRP A 435 3.152 4.725 1.415 1.00 15.00 C ATOM 93 CD2 TRP A 435 2.130 2.764 1.763 1.00 15.00 C ATOM 94 NE1 TRP A 435 2.785 4.668 2.738 1.00 15.00 N ATOM 95 CE2 TRP A 435 2.154 3.475 2.975 1.00 15.00 C ATOM 96 CE3 TRP A 435 1.535 1.502 1.735 1.00 15.00 C ATOM 97 CZ2 TRP A 435 1.605 2.968 4.147 1.00 15.00 C ATOM 98 CZ3 TRP A 435 0.993 0.997 2.898 1.00 15.00 C ATOM 99 CH2 TRP A 435 1.030 1.730 4.090 1.00 15.00 C ATOM 0 HA TRP A 435 4.541 1.852 -0.209 1.00 15.00 H new ATOM 0 HB2 TRP A 435 2.870 4.141 -1.264 1.00 15.00 H new ATOM 0 HB3 TRP A 435 2.189 2.552 -0.982 1.00 15.00 H new ATOM 0 HD1 TRP A 435 3.663 5.554 0.949 1.00 15.00 H new ATOM 0 HE1 TRP A 435 2.955 5.396 3.432 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.500 0.931 0.819 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.632 3.531 5.068 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.532 0.020 2.889 1.00 15.00 H new ATOM 0 HH2 TRP A 435 0.595 1.308 4.984 1.00 15.00 H new ATOM 110 N THR A 436 4.609 0.658 -2.388 1.00 15.00 N ATOM 111 CA THR A 436 4.651 -0.065 -3.643 1.00 15.00 C ATOM 112 C THR A 436 3.419 -0.953 -3.784 1.00 15.00 C ATOM 113 O THR A 436 3.224 -1.886 -3.006 1.00 15.00 O ATOM 114 CB THR A 436 5.933 -0.910 -3.742 1.00 15.00 C ATOM 115 OG1 THR A 436 7.067 -0.093 -3.415 1.00 15.00 O ATOM 116 CG2 THR A 436 6.105 -1.482 -5.143 1.00 15.00 C ATOM 0 H THR A 436 4.835 0.096 -1.567 1.00 15.00 H new ATOM 0 HA THR A 436 4.655 0.660 -4.457 1.00 15.00 H new ATOM 0 HB THR A 436 5.855 -1.740 -3.040 1.00 15.00 H new ATOM 0 HG1 THR A 436 7.810 -0.310 -4.016 1.00 15.00 H new ATOM 0 HG21 THR A 436 7.019 -2.075 -5.184 1.00 15.00 H new ATOM 0 HG22 THR A 436 5.251 -2.115 -5.385 1.00 15.00 H new ATOM 0 HG23 THR A 436 6.168 -0.667 -5.864 1.00 15.00 H new ATOM 124 N GLU A 437 2.581 -0.643 -4.761 1.00 15.00 N ATOM 125 CA GLU A 437 1.345 -1.383 -4.965 1.00 15.00 C ATOM 126 C GLU A 437 1.548 -2.500 -5.983 1.00 15.00 C ATOM 127 O GLU A 437 2.127 -2.292 -7.053 1.00 15.00 O ATOM 128 CB GLU A 437 0.223 -0.441 -5.420 1.00 15.00 C ATOM 129 CG GLU A 437 0.442 0.182 -6.788 1.00 15.00 C ATOM 130 CD GLU A 437 -0.728 1.031 -7.237 1.00 15.00 C ATOM 131 OE1 GLU A 437 -1.653 0.489 -7.883 1.00 15.00 O ATOM 132 OE2 GLU A 437 -0.729 2.247 -6.949 1.00 15.00 O ATOM 0 H GLU A 437 2.734 0.116 -5.425 1.00 15.00 H new ATOM 0 HA GLU A 437 1.055 -1.833 -4.015 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -0.716 -0.994 -5.432 1.00 15.00 H new ATOM 0 HB3 GLU A 437 0.114 0.356 -4.685 1.00 15.00 H new ATOM 0 HG2 GLU A 437 1.343 0.796 -6.763 1.00 15.00 H new ATOM 0 HG3 GLU A 437 0.614 -0.608 -7.519 1.00 15.00 H new ATOM 139 N TYR A 438 1.076 -3.687 -5.645 1.00 15.00 N ATOM 140 CA TYR A 438 1.151 -4.812 -6.556 1.00 15.00 C ATOM 141 C TYR A 438 -0.238 -5.206 -7.030 1.00 15.00 C ATOM 142 O TYR A 438 -1.148 -5.415 -6.226 1.00 15.00 O ATOM 143 CB TYR A 438 1.871 -5.990 -5.902 1.00 15.00 C ATOM 144 CG TYR A 438 3.354 -5.742 -5.743 1.00 15.00 C ATOM 145 CD1 TYR A 438 4.219 -5.931 -6.812 1.00 15.00 C ATOM 146 CD2 TYR A 438 3.883 -5.297 -4.538 1.00 15.00 C ATOM 147 CE1 TYR A 438 5.570 -5.680 -6.689 1.00 15.00 C ATOM 148 CE2 TYR A 438 5.236 -5.050 -4.405 1.00 15.00 C ATOM 149 CZ TYR A 438 6.075 -5.241 -5.485 1.00 15.00 C ATOM 150 OH TYR A 438 7.422 -4.980 -5.365 1.00 15.00 O ATOM 0 H TYR A 438 0.638 -3.895 -4.748 1.00 15.00 H new ATOM 0 HA TYR A 438 1.731 -4.514 -7.429 1.00 15.00 H new ATOM 0 HB2 TYR A 438 1.431 -6.184 -4.924 1.00 15.00 H new ATOM 0 HB3 TYR A 438 1.718 -6.886 -6.504 1.00 15.00 H new ATOM 0 HD1 TYR A 438 3.828 -6.280 -7.756 1.00 15.00 H new ATOM 0 HD2 TYR A 438 3.228 -5.142 -3.694 1.00 15.00 H new ATOM 0 HE1 TYR A 438 6.228 -5.827 -7.532 1.00 15.00 H new ATOM 0 HE2 TYR A 438 5.635 -4.709 -3.461 1.00 15.00 H new ATOM 0 HH TYR A 438 7.617 -4.678 -4.453 1.00 15.00 H new ATOM 160 N LYS A 439 -0.382 -5.302 -8.341 1.00 15.00 N ATOM 161 CA LYS A 439 -1.668 -5.554 -8.966 1.00 15.00 C ATOM 162 C LYS A 439 -1.750 -6.993 -9.463 1.00 15.00 C ATOM 163 O LYS A 439 -0.921 -7.434 -10.261 1.00 15.00 O ATOM 164 CB LYS A 439 -1.866 -4.582 -10.136 1.00 15.00 C ATOM 165 CG LYS A 439 -3.154 -4.798 -10.921 1.00 15.00 C ATOM 166 CD LYS A 439 -4.396 -4.355 -10.157 1.00 15.00 C ATOM 167 CE LYS A 439 -4.539 -2.837 -10.122 1.00 15.00 C ATOM 168 NZ LYS A 439 -3.602 -2.194 -9.163 1.00 15.00 N ATOM 0 H LYS A 439 0.390 -5.207 -9.001 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.456 -5.401 -8.228 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -1.856 -3.562 -9.751 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -1.020 -4.674 -10.817 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -3.097 -4.249 -11.861 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.247 -5.854 -11.174 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.281 -4.791 -10.621 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.349 -4.738 -9.137 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -4.362 -2.436 -11.120 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -5.563 -2.579 -9.852 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -3.873 -1.199 -9.026 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -3.643 -2.692 -8.251 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -2.634 -2.240 -9.540 1.00 15.00 H new ATOM 182 N THR A 440 -2.756 -7.715 -9.005 1.00 15.00 N ATOM 183 CA THR A 440 -2.991 -9.069 -9.474 1.00 15.00 C ATOM 184 C THR A 440 -3.917 -9.024 -10.684 1.00 15.00 C ATOM 185 O THR A 440 -4.721 -8.099 -10.818 1.00 15.00 O ATOM 186 CB THR A 440 -3.617 -9.960 -8.383 1.00 15.00 C ATOM 187 OG1 THR A 440 -4.951 -9.532 -8.104 1.00 15.00 O ATOM 188 CG2 THR A 440 -2.788 -9.919 -7.107 1.00 15.00 C ATOM 0 H THR A 440 -3.424 -7.386 -8.308 1.00 15.00 H new ATOM 0 HA THR A 440 -2.028 -9.503 -9.742 1.00 15.00 H new ATOM 0 HB THR A 440 -3.636 -10.985 -8.752 1.00 15.00 H new ATOM 0 HG1 THR A 440 -5.532 -10.315 -8.005 1.00 15.00 H new ATOM 0 HG21 THR A 440 -3.250 -10.555 -6.352 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.780 -10.277 -7.316 1.00 15.00 H new ATOM 0 HG23 THR A 440 -2.739 -8.895 -6.737 1.00 15.00 H new ATOM 196 N ALA A 441 -3.769 -9.992 -11.581 1.00 15.00 N ATOM 197 CA ALA A 441 -4.559 -10.043 -12.809 1.00 15.00 C ATOM 198 C ALA A 441 -6.065 -10.010 -12.536 1.00 15.00 C ATOM 199 O ALA A 441 -6.838 -9.514 -13.356 1.00 15.00 O ATOM 200 CB ALA A 441 -4.193 -11.282 -13.609 1.00 15.00 C ATOM 0 H ALA A 441 -3.104 -10.759 -11.481 1.00 15.00 H new ATOM 0 HA ALA A 441 -4.321 -9.151 -13.388 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -4.786 -11.313 -14.523 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -3.134 -11.250 -13.864 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -4.396 -12.172 -13.014 1.00 15.00 H new ATOM 206 N ASP A 442 -6.483 -10.539 -11.390 1.00 15.00 N ATOM 207 CA ASP A 442 -7.900 -10.560 -11.028 1.00 15.00 C ATOM 208 C ASP A 442 -8.345 -9.223 -10.435 1.00 15.00 C ATOM 209 O ASP A 442 -9.521 -9.030 -10.126 1.00 15.00 O ATOM 210 CB ASP A 442 -8.195 -11.698 -10.046 1.00 15.00 C ATOM 211 CG ASP A 442 -7.553 -11.491 -8.691 1.00 15.00 C ATOM 212 OD1 ASP A 442 -6.339 -11.753 -8.559 1.00 15.00 O ATOM 213 OD2 ASP A 442 -8.261 -11.082 -7.755 1.00 15.00 O ATOM 0 H ASP A 442 -5.864 -10.958 -10.696 1.00 15.00 H new ATOM 0 HA ASP A 442 -8.468 -10.731 -11.943 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -9.274 -11.792 -9.920 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -7.841 -12.638 -10.470 1.00 15.00 H new ATOM 218 N GLY A 443 -7.408 -8.296 -10.295 1.00 15.00 N ATOM 219 CA GLY A 443 -7.742 -6.960 -9.832 1.00 15.00 C ATOM 220 C GLY A 443 -7.676 -6.801 -8.324 1.00 15.00 C ATOM 221 O GLY A 443 -8.505 -6.111 -7.734 1.00 15.00 O ATOM 0 H GLY A 443 -6.419 -8.444 -10.494 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -7.061 -6.245 -10.294 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -8.747 -6.708 -10.171 1.00 15.00 H new ATOM 225 N LYS A 444 -6.700 -7.440 -7.698 1.00 15.00 N ATOM 226 CA LYS A 444 -6.422 -7.211 -6.285 1.00 15.00 C ATOM 227 C LYS A 444 -5.170 -6.366 -6.142 1.00 15.00 C ATOM 228 O LYS A 444 -4.142 -6.656 -6.757 1.00 15.00 O ATOM 229 CB LYS A 444 -6.245 -8.531 -5.533 1.00 15.00 C ATOM 230 CG LYS A 444 -7.547 -9.264 -5.274 1.00 15.00 C ATOM 231 CD LYS A 444 -7.304 -10.637 -4.672 1.00 15.00 C ATOM 232 CE LYS A 444 -8.610 -11.327 -4.323 1.00 15.00 C ATOM 233 NZ LYS A 444 -9.567 -11.316 -5.460 1.00 15.00 N ATOM 0 H LYS A 444 -6.086 -8.122 -8.144 1.00 15.00 H new ATOM 0 HA LYS A 444 -7.273 -6.686 -5.851 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -5.581 -9.179 -6.105 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -5.754 -8.333 -4.580 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -8.169 -8.675 -4.600 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -8.099 -9.368 -6.208 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -6.743 -11.251 -5.377 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -6.691 -10.540 -3.776 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -8.408 -12.357 -4.029 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -9.063 -10.833 -3.463 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -10.363 -11.951 -5.250 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -9.923 -10.350 -5.604 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -9.085 -11.640 -6.323 1.00 15.00 H new ATOM 247 N THR A 445 -5.253 -5.328 -5.333 1.00 15.00 N ATOM 248 CA THR A 445 -4.133 -4.432 -5.141 1.00 15.00 C ATOM 249 C THR A 445 -3.774 -4.323 -3.666 1.00 15.00 C ATOM 250 O THR A 445 -4.517 -3.730 -2.884 1.00 15.00 O ATOM 251 CB THR A 445 -4.454 -3.026 -5.676 1.00 15.00 C ATOM 252 OG1 THR A 445 -4.987 -3.112 -7.002 1.00 15.00 O ATOM 253 CG2 THR A 445 -3.210 -2.156 -5.686 1.00 15.00 C ATOM 0 H THR A 445 -6.087 -5.085 -4.798 1.00 15.00 H new ATOM 0 HA THR A 445 -3.289 -4.846 -5.693 1.00 15.00 H new ATOM 0 HB THR A 445 -5.194 -2.574 -5.016 1.00 15.00 H new ATOM 0 HG1 THR A 445 -5.365 -2.245 -7.259 1.00 15.00 H new ATOM 0 HG21 THR A 445 -3.461 -1.167 -6.068 1.00 15.00 H new ATOM 0 HG22 THR A 445 -2.821 -2.065 -4.672 1.00 15.00 H new ATOM 0 HG23 THR A 445 -2.453 -2.611 -6.325 1.00 15.00 H new ATOM 261 N TYR A 446 -2.650 -4.906 -3.285 1.00 15.00 N ATOM 262 CA TYR A 446 -2.163 -4.758 -1.927 1.00 15.00 C ATOM 263 C TYR A 446 -1.003 -3.774 -1.904 1.00 15.00 C ATOM 264 O TYR A 446 -0.060 -3.878 -2.695 1.00 15.00 O ATOM 265 CB TYR A 446 -1.775 -6.112 -1.310 1.00 15.00 C ATOM 266 CG TYR A 446 -0.656 -6.860 -2.004 1.00 15.00 C ATOM 267 CD1 TYR A 446 -0.901 -7.646 -3.122 1.00 15.00 C ATOM 268 CD2 TYR A 446 0.643 -6.808 -1.513 1.00 15.00 C ATOM 269 CE1 TYR A 446 0.115 -8.358 -3.732 1.00 15.00 C ATOM 270 CE2 TYR A 446 1.664 -7.509 -2.120 1.00 15.00 C ATOM 271 CZ TYR A 446 1.396 -8.284 -3.226 1.00 15.00 C ATOM 272 OH TYR A 446 2.411 -8.998 -3.818 1.00 15.00 O ATOM 0 H TYR A 446 -2.064 -5.480 -3.891 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.969 -4.360 -1.310 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -1.486 -5.947 -0.272 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -2.659 -6.750 -1.297 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -1.903 -7.702 -3.522 1.00 15.00 H new ATOM 0 HD2 TYR A 446 0.857 -6.208 -0.641 1.00 15.00 H new ATOM 0 HE1 TYR A 446 -0.093 -8.968 -4.599 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.669 -7.450 -1.729 1.00 15.00 H new ATOM 0 HH TYR A 446 3.250 -8.833 -3.339 1.00 15.00 H new ATOM 282 N TYR A 447 -1.095 -2.806 -1.011 1.00 15.00 N ATOM 283 CA TYR A 447 -0.101 -1.751 -0.911 1.00 15.00 C ATOM 284 C TYR A 447 0.984 -2.164 0.069 1.00 15.00 C ATOM 285 O TYR A 447 0.715 -2.376 1.251 1.00 15.00 O ATOM 286 CB TYR A 447 -0.754 -0.444 -0.450 1.00 15.00 C ATOM 287 CG TYR A 447 -2.056 -0.133 -1.152 1.00 15.00 C ATOM 288 CD1 TYR A 447 -2.070 0.380 -2.443 1.00 15.00 C ATOM 289 CD2 TYR A 447 -3.273 -0.355 -0.520 1.00 15.00 C ATOM 290 CE1 TYR A 447 -3.260 0.664 -3.084 1.00 15.00 C ATOM 291 CE2 TYR A 447 -4.467 -0.075 -1.156 1.00 15.00 C ATOM 292 CZ TYR A 447 -4.454 0.434 -2.436 1.00 15.00 C ATOM 293 OH TYR A 447 -5.642 0.713 -3.073 1.00 15.00 O ATOM 0 H TYR A 447 -1.857 -2.728 -0.337 1.00 15.00 H new ATOM 0 HA TYR A 447 0.343 -1.589 -1.893 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -0.934 -0.498 0.624 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.057 0.378 -0.615 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -1.135 0.560 -2.954 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -3.286 -0.753 0.484 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -3.255 1.064 -4.087 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -5.405 -0.254 -0.652 1.00 15.00 H new ATOM 0 HH TYR A 447 -6.391 0.493 -2.480 1.00 15.00 H new ATOM 303 N TYR A 448 2.201 -2.299 -0.427 1.00 15.00 N ATOM 304 CA TYR A 448 3.310 -2.728 0.404 1.00 15.00 C ATOM 305 C TYR A 448 4.127 -1.520 0.854 1.00 15.00 C ATOM 306 O TYR A 448 4.663 -0.772 0.029 1.00 15.00 O ATOM 307 CB TYR A 448 4.197 -3.712 -0.364 1.00 15.00 C ATOM 308 CG TYR A 448 4.995 -4.642 0.525 1.00 15.00 C ATOM 309 CD1 TYR A 448 4.471 -5.865 0.923 1.00 15.00 C ATOM 310 CD2 TYR A 448 6.266 -4.298 0.969 1.00 15.00 C ATOM 311 CE1 TYR A 448 5.190 -6.722 1.730 1.00 15.00 C ATOM 312 CE2 TYR A 448 6.993 -5.150 1.779 1.00 15.00 C ATOM 313 CZ TYR A 448 6.450 -6.360 2.157 1.00 15.00 C ATOM 314 OH TYR A 448 7.170 -7.212 2.966 1.00 15.00 O ATOM 0 H TYR A 448 2.446 -2.118 -1.401 1.00 15.00 H new ATOM 0 HA TYR A 448 2.914 -3.231 1.286 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.571 -4.308 -1.028 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.885 -3.149 -0.995 1.00 15.00 H new ATOM 0 HD1 TYR A 448 3.482 -6.150 0.595 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.693 -3.350 0.677 1.00 15.00 H new ATOM 0 HE1 TYR A 448 4.768 -7.671 2.026 1.00 15.00 H new ATOM 0 HE2 TYR A 448 7.981 -4.870 2.114 1.00 15.00 H new ATOM 0 HH TYR A 448 6.918 -7.065 3.902 1.00 15.00 H new ATOM 324 N ASN A 449 4.210 -1.329 2.160 1.00 15.00 N ATOM 325 CA ASN A 449 5.003 -0.245 2.723 1.00 15.00 C ATOM 326 C ASN A 449 6.418 -0.741 2.970 1.00 15.00 C ATOM 327 O ASN A 449 6.638 -1.600 3.822 1.00 15.00 O ATOM 328 CB ASN A 449 4.387 0.257 4.033 1.00 15.00 C ATOM 329 CG ASN A 449 5.231 1.328 4.705 1.00 15.00 C ATOM 330 OD1 ASN A 449 6.119 1.027 5.502 1.00 15.00 O ATOM 331 ND2 ASN A 449 4.961 2.584 4.388 1.00 15.00 N ATOM 0 H ASN A 449 3.738 -1.910 2.852 1.00 15.00 H new ATOM 0 HA ASN A 449 5.020 0.586 2.018 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.393 0.656 3.833 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.262 -0.583 4.716 1.00 15.00 H new ATOM 0 HD21 ASN A 449 5.497 3.343 4.809 1.00 15.00 H new ATOM 0 HD22 ASN A 449 4.217 2.793 3.723 1.00 15.00 H new ATOM 338 N ASN A 450 7.372 -0.196 2.222 1.00 15.00 N ATOM 339 CA ASN A 450 8.749 -0.693 2.242 1.00 15.00 C ATOM 340 C ASN A 450 9.499 -0.251 3.492 1.00 15.00 C ATOM 341 O ASN A 450 10.626 -0.682 3.731 1.00 15.00 O ATOM 342 CB ASN A 450 9.510 -0.242 0.990 1.00 15.00 C ATOM 343 CG ASN A 450 8.919 -0.806 -0.287 1.00 15.00 C ATOM 344 OD1 ASN A 450 8.348 -1.894 -0.293 1.00 15.00 O ATOM 345 ND2 ASN A 450 9.064 -0.078 -1.384 1.00 15.00 N ATOM 0 H ASN A 450 7.219 0.592 1.592 1.00 15.00 H new ATOM 0 HA ASN A 450 8.692 -1.781 2.254 1.00 15.00 H new ATOM 0 HB2 ASN A 450 9.504 0.847 0.939 1.00 15.00 H new ATOM 0 HB3 ASN A 450 10.552 -0.552 1.071 1.00 15.00 H new ATOM 0 HD21 ASN A 450 8.695 -0.416 -2.273 1.00 15.00 H new ATOM 0 HD22 ASN A 450 9.544 0.821 -1.340 1.00 15.00 H new ATOM 352 N ARG A 451 8.883 0.610 4.287 1.00 15.00 N ATOM 353 CA ARG A 451 9.497 1.065 5.528 1.00 15.00 C ATOM 354 C ARG A 451 9.344 0.010 6.617 1.00 15.00 C ATOM 355 O ARG A 451 10.325 -0.414 7.228 1.00 15.00 O ATOM 356 CB ARG A 451 8.870 2.382 5.988 1.00 15.00 C ATOM 357 CG ARG A 451 9.341 2.840 7.362 1.00 15.00 C ATOM 358 CD ARG A 451 8.514 4.013 7.861 1.00 15.00 C ATOM 359 NE ARG A 451 7.088 3.687 7.910 1.00 15.00 N ATOM 360 CZ ARG A 451 6.121 4.593 8.056 1.00 15.00 C ATOM 361 NH1 ARG A 451 6.429 5.864 8.284 1.00 15.00 N ATOM 362 NH2 ARG A 451 4.847 4.221 7.997 1.00 15.00 N ATOM 0 H ARG A 451 7.963 1.007 4.098 1.00 15.00 H new ATOM 0 HA ARG A 451 10.558 1.228 5.341 1.00 15.00 H new ATOM 0 HB2 ARG A 451 9.100 3.158 5.258 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.786 2.271 6.004 1.00 15.00 H new ATOM 0 HG2 ARG A 451 9.269 2.013 8.069 1.00 15.00 H new ATOM 0 HG3 ARG A 451 10.392 3.126 7.313 1.00 15.00 H new ATOM 0 HD2 ARG A 451 8.856 4.303 8.855 1.00 15.00 H new ATOM 0 HD3 ARG A 451 8.669 4.872 7.208 1.00 15.00 H new ATOM 0 HE ARG A 451 6.818 2.707 7.827 1.00 15.00 H new ATOM 0 HH11 ARG A 451 7.406 6.148 8.348 1.00 15.00 H new ATOM 0 HH12 ARG A 451 5.688 6.556 8.395 1.00 15.00 H new ATOM 0 HH21 ARG A 451 4.608 3.242 7.840 1.00 15.00 H new ATOM 0 HH22 ARG A 451 4.107 4.915 8.109 1.00 15.00 H new ATOM 376 N THR A 452 8.109 -0.413 6.851 1.00 15.00 N ATOM 377 CA THR A 452 7.816 -1.366 7.911 1.00 15.00 C ATOM 378 C THR A 452 7.604 -2.775 7.344 1.00 15.00 C ATOM 379 O THR A 452 7.441 -3.736 8.095 1.00 15.00 O ATOM 380 CB THR A 452 6.562 -0.923 8.697 1.00 15.00 C ATOM 381 OG1 THR A 452 6.634 0.489 8.964 1.00 15.00 O ATOM 382 CG2 THR A 452 6.443 -1.677 10.015 1.00 15.00 C ATOM 0 H THR A 452 7.293 -0.110 6.319 1.00 15.00 H new ATOM 0 HA THR A 452 8.672 -1.392 8.585 1.00 15.00 H new ATOM 0 HB THR A 452 5.685 -1.146 8.090 1.00 15.00 H new ATOM 0 HG1 THR A 452 5.837 0.769 9.461 1.00 15.00 H new ATOM 0 HG21 THR A 452 5.551 -1.344 10.546 1.00 15.00 H new ATOM 0 HG22 THR A 452 6.369 -2.746 9.817 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.324 -1.481 10.627 1.00 15.00 H new ATOM 390 N LEU A 453 7.613 -2.884 6.011 1.00 15.00 N ATOM 391 CA LEU A 453 7.434 -4.166 5.321 1.00 15.00 C ATOM 392 C LEU A 453 6.010 -4.689 5.515 1.00 15.00 C ATOM 393 O LEU A 453 5.762 -5.896 5.477 1.00 15.00 O ATOM 394 CB LEU A 453 8.463 -5.194 5.812 1.00 15.00 C ATOM 395 CG LEU A 453 9.927 -4.804 5.585 1.00 15.00 C ATOM 396 CD1 LEU A 453 10.854 -5.876 6.134 1.00 15.00 C ATOM 397 CD2 LEU A 453 10.198 -4.574 4.106 1.00 15.00 C ATOM 0 H LEU A 453 7.744 -2.091 5.383 1.00 15.00 H new ATOM 0 HA LEU A 453 7.595 -4.006 4.255 1.00 15.00 H new ATOM 0 HB2 LEU A 453 8.308 -5.360 6.878 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.274 -6.143 5.311 1.00 15.00 H new ATOM 0 HG LEU A 453 10.120 -3.873 6.118 1.00 15.00 H new ATOM 0 HD11 LEU A 453 11.890 -5.583 5.964 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.681 -5.994 7.204 1.00 15.00 H new ATOM 0 HD13 LEU A 453 10.657 -6.821 5.628 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.243 -4.298 3.966 1.00 15.00 H new ATOM 0 HD22 LEU A 453 9.987 -5.488 3.551 1.00 15.00 H new ATOM 0 HD23 LEU A 453 9.559 -3.771 3.740 1.00 15.00 H new ATOM 409 N GLU A 454 5.073 -3.760 5.666 1.00 15.00 N ATOM 410 CA GLU A 454 3.677 -4.106 5.920 1.00 15.00 C ATOM 411 C GLU A 454 2.877 -4.180 4.624 1.00 15.00 C ATOM 412 O GLU A 454 3.008 -3.321 3.748 1.00 15.00 O ATOM 413 CB GLU A 454 3.040 -3.081 6.857 1.00 15.00 C ATOM 414 CG GLU A 454 3.532 -3.171 8.290 1.00 15.00 C ATOM 415 CD GLU A 454 3.243 -4.517 8.926 1.00 15.00 C ATOM 416 OE1 GLU A 454 2.160 -5.080 8.674 1.00 15.00 O ATOM 417 OE2 GLU A 454 4.102 -5.018 9.680 1.00 15.00 O ATOM 0 H GLU A 454 5.254 -2.757 5.617 1.00 15.00 H new ATOM 0 HA GLU A 454 3.661 -5.089 6.390 1.00 15.00 H new ATOM 0 HB2 GLU A 454 3.242 -2.080 6.476 1.00 15.00 H new ATOM 0 HB3 GLU A 454 1.958 -3.215 6.845 1.00 15.00 H new ATOM 0 HG2 GLU A 454 4.606 -2.986 8.313 1.00 15.00 H new ATOM 0 HG3 GLU A 454 3.061 -2.386 8.881 1.00 15.00 H new ATOM 424 N SER A 455 2.035 -5.199 4.524 1.00 15.00 N ATOM 425 CA SER A 455 1.170 -5.381 3.370 1.00 15.00 C ATOM 426 C SER A 455 -0.265 -4.992 3.724 1.00 15.00 C ATOM 427 O SER A 455 -0.895 -5.616 4.579 1.00 15.00 O ATOM 428 CB SER A 455 1.224 -6.839 2.896 1.00 15.00 C ATOM 429 OG SER A 455 0.400 -7.046 1.762 1.00 15.00 O ATOM 0 H SER A 455 1.933 -5.920 5.239 1.00 15.00 H new ATOM 0 HA SER A 455 1.518 -4.737 2.562 1.00 15.00 H new ATOM 0 HB2 SER A 455 2.253 -7.106 2.654 1.00 15.00 H new ATOM 0 HB3 SER A 455 0.905 -7.498 3.704 1.00 15.00 H new ATOM 0 HG SER A 455 0.457 -7.984 1.483 1.00 15.00 H new ATOM 435 N TYR A 456 -0.771 -3.954 3.077 1.00 15.00 N ATOM 436 CA TYR A 456 -2.118 -3.472 3.337 1.00 15.00 C ATOM 437 C TYR A 456 -3.058 -3.809 2.185 1.00 15.00 C ATOM 438 O TYR A 456 -2.887 -3.323 1.069 1.00 15.00 O ATOM 439 CB TYR A 456 -2.108 -1.959 3.571 1.00 15.00 C ATOM 440 CG TYR A 456 -1.608 -1.553 4.939 1.00 15.00 C ATOM 441 CD1 TYR A 456 -0.263 -1.296 5.169 1.00 15.00 C ATOM 442 CD2 TYR A 456 -2.491 -1.413 6.002 1.00 15.00 C ATOM 443 CE1 TYR A 456 0.190 -0.919 6.420 1.00 15.00 C ATOM 444 CE2 TYR A 456 -2.047 -1.036 7.255 1.00 15.00 C ATOM 445 CZ TYR A 456 -0.707 -0.788 7.459 1.00 15.00 C ATOM 446 OH TYR A 456 -0.262 -0.407 8.707 1.00 15.00 O ATOM 0 H TYR A 456 -0.266 -3.427 2.365 1.00 15.00 H new ATOM 0 HA TYR A 456 -2.481 -3.972 4.235 1.00 15.00 H new ATOM 0 HB2 TYR A 456 -1.483 -1.488 2.812 1.00 15.00 H new ATOM 0 HB3 TYR A 456 -3.119 -1.574 3.435 1.00 15.00 H new ATOM 0 HD1 TYR A 456 0.442 -1.392 4.356 1.00 15.00 H new ATOM 0 HD2 TYR A 456 -3.543 -1.602 5.846 1.00 15.00 H new ATOM 0 HE1 TYR A 456 1.241 -0.728 6.582 1.00 15.00 H new ATOM 0 HE2 TYR A 456 -2.747 -0.936 8.071 1.00 15.00 H new ATOM 0 HH TYR A 456 -1.021 -0.361 9.325 1.00 15.00 H new ATOM 456 N TRP A 457 -4.056 -4.639 2.465 1.00 15.00 N ATOM 457 CA TRP A 457 -5.059 -5.001 1.464 1.00 15.00 C ATOM 458 C TRP A 457 -6.169 -3.954 1.412 1.00 15.00 C ATOM 459 O TRP A 457 -7.156 -4.106 0.690 1.00 15.00 O ATOM 460 CB TRP A 457 -5.647 -6.380 1.768 1.00 15.00 C ATOM 461 CG TRP A 457 -4.674 -7.499 1.557 1.00 15.00 C ATOM 462 CD1 TRP A 457 -3.800 -8.010 2.472 1.00 15.00 C ATOM 463 CD2 TRP A 457 -4.476 -8.246 0.351 1.00 15.00 C ATOM 464 NE1 TRP A 457 -3.068 -9.026 1.908 1.00 15.00 N ATOM 465 CE2 TRP A 457 -3.465 -9.193 0.607 1.00 15.00 C ATOM 466 CE3 TRP A 457 -5.056 -8.208 -0.920 1.00 15.00 C ATOM 467 CZ2 TRP A 457 -3.024 -10.092 -0.361 1.00 15.00 C ATOM 468 CZ3 TRP A 457 -4.616 -9.100 -1.881 1.00 15.00 C ATOM 469 CH2 TRP A 457 -3.609 -10.031 -1.597 1.00 15.00 C ATOM 0 H TRP A 457 -4.194 -5.075 3.376 1.00 15.00 H new ATOM 0 HA TRP A 457 -4.571 -5.037 0.490 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -5.994 -6.400 2.801 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -6.520 -6.543 1.136 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -3.699 -7.666 3.491 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -2.345 -9.569 2.381 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -5.834 -7.495 -1.148 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -2.248 -10.811 -0.144 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -5.056 -9.078 -2.867 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -3.288 -10.715 -2.369 1.00 15.00 H new ATOM 480 N GLU A 458 -5.990 -2.895 2.186 1.00 15.00 N ATOM 481 CA GLU A 458 -6.916 -1.774 2.210 1.00 15.00 C ATOM 482 C GLU A 458 -6.154 -0.496 2.518 1.00 15.00 C ATOM 483 O GLU A 458 -5.176 -0.513 3.265 1.00 15.00 O ATOM 484 CB GLU A 458 -8.038 -2.023 3.223 1.00 15.00 C ATOM 485 CG GLU A 458 -7.567 -2.518 4.582 1.00 15.00 C ATOM 486 CD GLU A 458 -8.713 -3.034 5.431 1.00 15.00 C ATOM 487 OE1 GLU A 458 -9.269 -4.105 5.094 1.00 15.00 O ATOM 488 OE2 GLU A 458 -9.066 -2.378 6.435 1.00 15.00 O ATOM 0 H GLU A 458 -5.196 -2.789 2.817 1.00 15.00 H new ATOM 0 HA GLU A 458 -7.385 -1.667 1.232 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -8.596 -1.097 3.362 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -8.731 -2.753 2.805 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -6.833 -3.312 4.444 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -7.064 -1.707 5.108 1.00 15.00 H new ATOM 495 N LYS A 459 -6.609 0.600 1.934 1.00 15.00 N ATOM 496 CA LYS A 459 -5.875 1.856 1.962 1.00 15.00 C ATOM 497 C LYS A 459 -5.831 2.492 3.350 1.00 15.00 C ATOM 498 O LYS A 459 -6.867 2.792 3.949 1.00 15.00 O ATOM 499 CB LYS A 459 -6.479 2.836 0.959 1.00 15.00 C ATOM 500 CG LYS A 459 -5.888 4.232 1.048 1.00 15.00 C ATOM 501 CD LYS A 459 -6.231 5.060 -0.174 1.00 15.00 C ATOM 502 CE LYS A 459 -5.592 4.475 -1.420 1.00 15.00 C ATOM 503 NZ LYS A 459 -5.786 5.348 -2.602 1.00 15.00 N ATOM 0 H LYS A 459 -7.494 0.645 1.429 1.00 15.00 H new ATOM 0 HA LYS A 459 -4.846 1.626 1.687 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -6.330 2.450 -0.049 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -7.555 2.894 1.122 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -6.262 4.730 1.943 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -4.805 4.164 1.150 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -7.313 5.100 -0.300 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -5.889 6.085 -0.032 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -4.526 4.330 -1.247 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -6.019 3.492 -1.620 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -5.101 5.089 -3.341 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -6.752 5.227 -2.968 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -5.641 6.341 -2.328 1.00 15.00 H new ATOM 517 N PRO A 460 -4.613 2.708 3.864 1.00 15.00 N ATOM 518 CA PRO A 460 -4.381 3.474 5.089 1.00 15.00 C ATOM 519 C PRO A 460 -4.407 4.982 4.825 1.00 15.00 C ATOM 520 O PRO A 460 -4.108 5.430 3.715 1.00 15.00 O ATOM 521 CB PRO A 460 -2.978 3.031 5.499 1.00 15.00 C ATOM 522 CG PRO A 460 -2.292 2.717 4.212 1.00 15.00 C ATOM 523 CD PRO A 460 -3.355 2.190 3.288 1.00 15.00 C ATOM 0 HA PRO A 460 -5.143 3.298 5.849 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -2.457 3.818 6.044 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -3.013 2.160 6.153 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.820 3.607 3.795 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -1.504 1.978 4.361 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -3.208 2.542 2.267 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.350 1.101 3.253 1.00 15.00 H new ATOM 531 N GLN A 461 -4.715 5.763 5.855 1.00 15.00 N ATOM 532 CA GLN A 461 -4.801 7.215 5.720 1.00 15.00 C ATOM 533 C GLN A 461 -3.408 7.829 5.549 1.00 15.00 C ATOM 534 O GLN A 461 -3.269 8.994 5.170 1.00 15.00 O ATOM 535 CB GLN A 461 -5.512 7.820 6.937 1.00 15.00 C ATOM 536 CG GLN A 461 -5.745 9.321 6.845 1.00 15.00 C ATOM 537 CD GLN A 461 -6.693 9.704 5.724 1.00 15.00 C ATOM 538 OE1 GLN A 461 -7.608 8.959 5.379 1.00 15.00 O ATOM 539 NE2 GLN A 461 -6.481 10.873 5.146 1.00 15.00 N ATOM 0 H GLN A 461 -4.910 5.416 6.794 1.00 15.00 H new ATOM 0 HA GLN A 461 -5.383 7.444 4.827 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.473 7.322 7.066 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -4.922 7.610 7.829 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -6.147 9.680 7.792 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -4.790 9.823 6.693 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -5.711 11.465 5.459 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -7.087 11.184 4.387 1.00 15.00 H new ATOM 548 N GLU A 462 -2.375 7.041 5.837 1.00 15.00 N ATOM 549 CA GLU A 462 -1.002 7.487 5.632 1.00 15.00 C ATOM 550 C GLU A 462 -0.691 7.528 4.138 1.00 15.00 C ATOM 551 O GLU A 462 0.237 8.206 3.697 1.00 15.00 O ATOM 552 CB GLU A 462 -0.013 6.558 6.353 1.00 15.00 C ATOM 553 CG GLU A 462 1.430 7.043 6.307 1.00 15.00 C ATOM 554 CD GLU A 462 2.412 6.034 6.867 1.00 15.00 C ATOM 555 OE1 GLU A 462 2.899 5.186 6.098 1.00 15.00 O ATOM 556 OE2 GLU A 462 2.710 6.087 8.083 1.00 15.00 O ATOM 0 H GLU A 462 -2.463 6.096 6.211 1.00 15.00 H new ATOM 0 HA GLU A 462 -0.895 8.488 6.050 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -0.319 6.455 7.394 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -0.068 5.566 5.905 1.00 15.00 H new ATOM 0 HG2 GLU A 462 1.699 7.269 5.275 1.00 15.00 H new ATOM 0 HG3 GLU A 462 1.513 7.973 6.869 1.00 15.00 H new ATOM 563 N LEU A 463 -1.481 6.795 3.368 1.00 15.00 N ATOM 564 CA LEU A 463 -1.294 6.719 1.932 1.00 15.00 C ATOM 565 C LEU A 463 -2.190 7.734 1.224 1.00 15.00 C ATOM 566 O LEU A 463 -1.695 8.704 0.650 1.00 15.00 O ATOM 567 CB LEU A 463 -1.580 5.295 1.445 1.00 15.00 C ATOM 568 CG LEU A 463 -1.524 5.087 -0.068 1.00 15.00 C ATOM 569 CD1 LEU A 463 -0.143 5.423 -0.609 1.00 15.00 C ATOM 570 CD2 LEU A 463 -1.896 3.654 -0.407 1.00 15.00 C ATOM 0 H LEU A 463 -2.262 6.242 3.720 1.00 15.00 H new ATOM 0 HA LEU A 463 -0.259 6.963 1.692 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -0.863 4.620 1.913 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -2.569 5.002 1.797 1.00 15.00 H new ATOM 0 HG LEU A 463 -2.242 5.759 -0.539 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -0.127 5.267 -1.688 1.00 15.00 H new ATOM 0 HD12 LEU A 463 0.090 6.465 -0.389 1.00 15.00 H new ATOM 0 HD13 LEU A 463 0.599 4.778 -0.138 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.854 3.513 -1.487 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -1.196 2.972 0.075 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -2.906 3.447 -0.053 1.00 15.00 H new ATOM 582 N LYS A 464 -3.508 7.522 1.310 1.00 15.00 N ATOM 583 CA LYS A 464 -4.485 8.395 0.657 1.00 15.00 C ATOM 584 C LYS A 464 -4.264 8.433 -0.857 1.00 15.00 C ATOM 585 O LYS A 464 -4.800 7.549 -1.558 1.00 15.00 O ATOM 586 CB LYS A 464 -4.406 9.810 1.241 1.00 15.00 C ATOM 587 CG LYS A 464 -5.346 10.809 0.584 1.00 15.00 C ATOM 588 CD LYS A 464 -4.811 12.232 0.683 1.00 15.00 C ATOM 589 CE LYS A 464 -3.675 12.498 -0.311 1.00 15.00 C ATOM 590 NZ LYS A 464 -2.488 11.622 -0.094 1.00 15.00 N ATOM 591 OXT LYS A 464 -3.558 9.348 -1.336 1.00 15.00 O ATOM 0 H LYS A 464 -3.923 6.748 1.829 1.00 15.00 H new ATOM 0 HA LYS A 464 -5.480 7.990 0.844 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -4.630 9.764 2.307 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -3.383 10.174 1.146 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -5.485 10.544 -0.464 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -6.326 10.754 1.059 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -5.623 12.936 0.500 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -4.454 12.413 1.697 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -4.046 12.351 -1.325 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -3.368 13.541 -0.232 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -1.691 11.969 -0.666 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -2.225 11.637 0.912 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -2.719 10.648 -0.377 1.00 15.00 H new