USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 256 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 447 TYR OH : rot -117:sc= 1.8 USER MOD Set 1.2: A 459 LYS NZ :NH3+ -144:sc= 1.28 (180deg=-0.0315) USER MOD Set 2.1: A 449 ASN : amide:sc= 0.669 K(o=0.55,f=-12!) USER MOD Set 2.2: A 452 THR OG1 : rot 172:sc= -0.122 USER MOD Set 3.1: A 436 THR OG1 : rot 41:sc= 0.686 USER MOD Set 3.2: A 450 ASN : amide:sc= 1.34 K(o=2,f=1.1) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ -175:sc= 1.19 (180deg=1.13) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 TYR OH : rot 174:sc= -0.557 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 THR OG1 : rot 107:sc= 0.309 USER MOD Single : A 461 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 434 3.641 5.607 -6.073 1.00 15.00 N ATOM 29 CA GLU A 434 4.717 4.704 -5.684 1.00 15.00 C ATOM 30 C GLU A 434 4.182 3.650 -4.716 1.00 15.00 C ATOM 31 O GLU A 434 4.943 2.901 -4.095 1.00 15.00 O ATOM 32 CB GLU A 434 5.856 5.502 -5.040 1.00 15.00 C ATOM 33 CG GLU A 434 7.060 5.676 -5.956 1.00 15.00 C ATOM 34 CD GLU A 434 7.954 4.457 -6.025 1.00 15.00 C ATOM 35 OE1 GLU A 434 7.560 3.452 -6.653 1.00 15.00 O1- ATOM 36 OE2 GLU A 434 9.067 4.506 -5.461 1.00 15.00 O ATOM 0 HA GLU A 434 5.105 4.198 -6.568 1.00 15.00 H new ATOM 0 HB2 GLU A 434 5.484 6.484 -4.750 1.00 15.00 H new ATOM 0 HB3 GLU A 434 6.172 4.998 -4.127 1.00 15.00 H new ATOM 0 HG2 GLU A 434 6.710 5.916 -6.960 1.00 15.00 H new ATOM 0 HG3 GLU A 434 7.647 6.527 -5.611 1.00 15.00 H new ATOM 43 N TRP A 435 2.856 3.579 -4.623 1.00 15.00 N ATOM 44 CA TRP A 435 2.187 2.627 -3.749 1.00 15.00 C ATOM 45 C TRP A 435 1.923 1.320 -4.486 1.00 15.00 C ATOM 46 O TRP A 435 1.226 1.306 -5.501 1.00 15.00 O ATOM 47 CB TRP A 435 0.844 3.180 -3.259 1.00 15.00 C ATOM 48 CG TRP A 435 0.940 4.405 -2.404 1.00 15.00 C ATOM 49 CD1 TRP A 435 1.016 5.697 -2.830 1.00 15.00 C ATOM 50 CD2 TRP A 435 0.940 4.452 -0.974 1.00 15.00 C ATOM 51 NE1 TRP A 435 1.068 6.544 -1.753 1.00 15.00 N ATOM 52 CE2 TRP A 435 1.025 5.806 -0.602 1.00 15.00 C ATOM 53 CE3 TRP A 435 0.880 3.479 0.028 1.00 15.00 C ATOM 54 CZ2 TRP A 435 1.052 6.213 0.729 1.00 15.00 C ATOM 55 CZ3 TRP A 435 0.907 3.885 1.350 1.00 15.00 C ATOM 56 CH2 TRP A 435 0.992 5.243 1.689 1.00 15.00 C ATOM 0 H TRP A 435 2.220 4.178 -5.150 1.00 15.00 H new ATOM 0 HA TRP A 435 2.844 2.452 -2.897 1.00 15.00 H new ATOM 0 HB2 TRP A 435 0.224 3.408 -4.126 1.00 15.00 H new ATOM 0 HB3 TRP A 435 0.331 2.401 -2.695 1.00 15.00 H new ATOM 0 HD1 TRP A 435 1.033 6.008 -3.864 1.00 15.00 H new ATOM 0 HE1 TRP A 435 1.129 7.561 -1.802 1.00 15.00 H new ATOM 0 HE3 TRP A 435 0.814 2.431 -0.225 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.118 7.258 0.993 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.862 3.144 2.134 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.010 5.528 2.731 1.00 15.00 H new ATOM 67 N THR A 436 2.472 0.234 -3.980 1.00 15.00 N ATOM 68 CA THR A 436 2.184 -1.081 -4.515 1.00 15.00 C ATOM 69 C THR A 436 1.248 -1.831 -3.577 1.00 15.00 C ATOM 70 O THR A 436 1.536 -1.982 -2.385 1.00 15.00 O ATOM 71 CB THR A 436 3.473 -1.900 -4.740 1.00 15.00 C ATOM 72 OG1 THR A 436 4.352 -1.758 -3.613 1.00 15.00 O ATOM 73 CG2 THR A 436 4.187 -1.447 -6.005 1.00 15.00 C ATOM 0 H THR A 436 3.123 0.237 -3.195 1.00 15.00 H new ATOM 0 HA THR A 436 1.701 -0.948 -5.483 1.00 15.00 H new ATOM 0 HB THR A 436 3.195 -2.948 -4.852 1.00 15.00 H new ATOM 0 HG1 THR A 436 3.829 -1.786 -2.785 1.00 15.00 H new ATOM 0 HG21 THR A 436 5.092 -2.038 -6.143 1.00 15.00 H new ATOM 0 HG22 THR A 436 3.529 -1.585 -6.863 1.00 15.00 H new ATOM 0 HG23 THR A 436 4.452 -0.393 -5.916 1.00 15.00 H new ATOM 81 N GLU A 437 0.119 -2.278 -4.105 1.00 15.00 N ATOM 82 CA GLU A 437 -0.849 -3.015 -3.314 1.00 15.00 C ATOM 83 C GLU A 437 -0.540 -4.500 -3.385 1.00 15.00 C ATOM 84 O GLU A 437 -0.684 -5.129 -4.435 1.00 15.00 O ATOM 85 CB GLU A 437 -2.275 -2.740 -3.806 1.00 15.00 C ATOM 86 CG GLU A 437 -3.346 -3.562 -3.101 1.00 15.00 C ATOM 87 CD GLU A 437 -4.747 -3.290 -3.625 1.00 15.00 C ATOM 88 OE1 GLU A 437 -5.084 -3.772 -4.725 1.00 15.00 O1- ATOM 89 OE2 GLU A 437 -5.523 -2.599 -2.937 1.00 15.00 O ATOM 0 H GLU A 437 -0.148 -2.142 -5.080 1.00 15.00 H new ATOM 0 HA GLU A 437 -0.781 -2.685 -2.277 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -2.497 -1.681 -3.670 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -2.324 -2.941 -4.876 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -3.119 -4.622 -3.220 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -3.316 -3.347 -2.033 1.00 15.00 H new ATOM 96 N ARG A 438 -0.078 -5.048 -2.277 1.00 15.00 N ATOM 97 CA ARG A 438 0.250 -6.461 -2.218 1.00 15.00 C ATOM 98 C ARG A 438 -0.642 -7.171 -1.217 1.00 15.00 C ATOM 99 O ARG A 438 -0.612 -6.886 -0.019 1.00 15.00 O ATOM 100 CB ARG A 438 1.723 -6.681 -1.868 1.00 15.00 C ATOM 101 CG ARG A 438 2.093 -8.152 -1.766 1.00 15.00 C ATOM 102 CD ARG A 438 3.577 -8.347 -1.507 1.00 15.00 C ATOM 103 NE ARG A 438 3.886 -9.718 -1.103 1.00 15.00 N ATOM 104 CZ ARG A 438 4.920 -10.052 -0.336 1.00 15.00 C ATOM 105 NH1 ARG A 438 5.798 -9.130 0.041 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 5.093 -11.311 0.038 1.00 15.00 N ATOM 0 H ARG A 438 0.079 -4.538 -1.407 1.00 15.00 H new ATOM 0 HA ARG A 438 0.076 -6.883 -3.208 1.00 15.00 H new ATOM 0 HB2 ARG A 438 2.346 -6.206 -2.626 1.00 15.00 H new ATOM 0 HB3 ARG A 438 1.944 -6.189 -0.920 1.00 15.00 H new ATOM 0 HG2 ARG A 438 1.520 -8.615 -0.962 1.00 15.00 H new ATOM 0 HG3 ARG A 438 1.816 -8.661 -2.689 1.00 15.00 H new ATOM 0 HD2 ARG A 438 4.138 -8.099 -2.408 1.00 15.00 H new ATOM 0 HD3 ARG A 438 3.903 -7.657 -0.729 1.00 15.00 H new ATOM 0 HE ARG A 438 3.271 -10.464 -1.429 1.00 15.00 H new ATOM 0 HH11 ARG A 438 5.681 -8.162 -0.258 1.00 15.00 H new ATOM 0 HH12 ARG A 438 6.590 -9.390 0.629 1.00 15.00 H new ATOM 0 HH21 ARG A 438 4.432 -12.028 -0.262 1.00 15.00 H new ATOM 0 HH22 ARG A 438 5.887 -11.564 0.626 1.00 15.00 H new ATOM 120 N LYS A 439 -1.443 -8.082 -1.726 1.00 15.00 N ATOM 121 CA LYS A 439 -2.344 -8.861 -0.904 1.00 15.00 C ATOM 122 C LYS A 439 -1.657 -10.148 -0.477 1.00 15.00 C ATOM 123 O LYS A 439 -1.298 -10.975 -1.313 1.00 15.00 O ATOM 124 CB LYS A 439 -3.620 -9.148 -1.696 1.00 15.00 C ATOM 125 CG LYS A 439 -4.265 -7.879 -2.232 1.00 15.00 C ATOM 126 CD LYS A 439 -5.335 -8.163 -3.275 1.00 15.00 C ATOM 127 CE LYS A 439 -5.919 -6.866 -3.813 1.00 15.00 C ATOM 128 NZ LYS A 439 -6.905 -7.097 -4.900 1.00 15.00 N1+ ATOM 0 H LYS A 439 -1.488 -8.304 -2.721 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.612 -8.307 -0.005 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.387 -9.813 -2.527 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -4.331 -9.672 -1.058 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.707 -7.323 -1.405 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.496 -7.242 -2.669 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -4.907 -8.742 -4.093 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -6.127 -8.769 -2.835 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -6.400 -6.322 -3.000 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -5.112 -6.235 -4.186 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -7.274 -6.184 -5.233 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -6.442 -7.592 -5.689 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -7.689 -7.677 -4.540 1.00 15.00 H new ATOM 142 N THR A 440 -1.452 -10.301 0.819 1.00 15.00 N ATOM 143 CA THR A 440 -0.729 -11.446 1.336 1.00 15.00 C ATOM 144 C THR A 440 -1.687 -12.593 1.625 1.00 15.00 C ATOM 145 O THR A 440 -2.838 -12.366 2.022 1.00 15.00 O ATOM 146 CB THR A 440 0.085 -11.086 2.605 1.00 15.00 C ATOM 147 OG1 THR A 440 0.812 -12.228 3.073 1.00 15.00 O ATOM 148 CG2 THR A 440 -0.810 -10.574 3.723 1.00 15.00 C ATOM 0 H THR A 440 -1.776 -9.647 1.531 1.00 15.00 H new ATOM 0 HA THR A 440 -0.021 -11.762 0.570 1.00 15.00 H new ATOM 0 HB THR A 440 0.779 -10.293 2.327 1.00 15.00 H new ATOM 0 HG1 THR A 440 1.323 -11.985 3.874 1.00 15.00 H new ATOM 0 HG21 THR A 440 -0.202 -10.333 4.595 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.335 -9.679 3.388 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.536 -11.342 3.989 1.00 15.00 H new ATOM 156 N ALA A 441 -1.197 -13.818 1.432 1.00 15.00 N ATOM 157 CA ALA A 441 -2.011 -15.026 1.556 1.00 15.00 C ATOM 158 C ALA A 441 -2.568 -15.198 2.964 1.00 15.00 C ATOM 159 O ALA A 441 -3.443 -16.035 3.200 1.00 15.00 O ATOM 160 CB ALA A 441 -1.202 -16.250 1.154 1.00 15.00 C ATOM 0 H ALA A 441 -0.224 -14.000 1.185 1.00 15.00 H new ATOM 0 HA ALA A 441 -2.860 -14.919 0.881 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -1.820 -17.143 1.251 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -0.875 -16.146 0.120 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -0.331 -16.340 1.803 1.00 15.00 H new ATOM 166 N ASP A 442 -2.061 -14.403 3.896 1.00 15.00 N ATOM 167 CA ASP A 442 -2.604 -14.367 5.246 1.00 15.00 C ATOM 168 C ASP A 442 -4.046 -13.861 5.221 1.00 15.00 C ATOM 169 O ASP A 442 -4.825 -14.113 6.138 1.00 15.00 O ATOM 170 CB ASP A 442 -1.748 -13.468 6.141 1.00 15.00 C ATOM 171 CG ASP A 442 -2.249 -13.425 7.568 1.00 15.00 C ATOM 172 OD1 ASP A 442 -1.842 -14.295 8.368 1.00 15.00 O1- ATOM 173 OD2 ASP A 442 -3.050 -12.525 7.897 1.00 15.00 O ATOM 0 H ASP A 442 -1.273 -13.774 3.741 1.00 15.00 H new ATOM 0 HA ASP A 442 -2.591 -15.378 5.652 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -0.718 -13.826 6.131 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -1.738 -12.458 5.732 1.00 15.00 H new ATOM 178 N GLY A 443 -4.391 -13.153 4.152 1.00 15.00 N ATOM 179 CA GLY A 443 -5.720 -12.598 4.025 1.00 15.00 C ATOM 180 C GLY A 443 -5.737 -11.111 4.298 1.00 15.00 C ATOM 181 O GLY A 443 -6.783 -10.534 4.593 1.00 15.00 O ATOM 0 H GLY A 443 -3.769 -12.954 3.369 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -6.098 -12.787 3.020 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -6.392 -13.103 4.719 1.00 15.00 H new ATOM 185 N LYS A 444 -4.574 -10.482 4.188 1.00 15.00 N ATOM 186 CA LYS A 444 -4.454 -9.060 4.475 1.00 15.00 C ATOM 187 C LYS A 444 -3.938 -8.297 3.265 1.00 15.00 C ATOM 188 O LYS A 444 -3.056 -8.760 2.544 1.00 15.00 O ATOM 189 CB LYS A 444 -3.533 -8.809 5.673 1.00 15.00 C ATOM 190 CG LYS A 444 -4.119 -9.245 7.007 1.00 15.00 C ATOM 191 CD LYS A 444 -3.401 -8.580 8.174 1.00 15.00 C ATOM 192 CE LYS A 444 -2.031 -9.188 8.434 1.00 15.00 C ATOM 193 NZ LYS A 444 -2.121 -10.464 9.191 1.00 15.00 N1+ ATOM 0 H LYS A 444 -3.704 -10.932 3.903 1.00 15.00 H new ATOM 0 HA LYS A 444 -5.452 -8.698 4.720 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -2.593 -9.336 5.512 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -3.298 -7.746 5.721 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -5.179 -8.994 7.040 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -4.045 -10.328 7.102 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -3.290 -7.515 7.970 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -4.012 -8.670 9.072 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -1.527 -9.365 7.484 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -1.420 -8.478 8.991 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -1.164 -10.800 9.420 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -2.653 -10.309 10.071 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -2.609 -11.177 8.612 1.00 15.00 H new ATOM 207 N THR A 445 -4.482 -7.113 3.075 1.00 15.00 N ATOM 208 CA THR A 445 -4.091 -6.249 1.981 1.00 15.00 C ATOM 209 C THR A 445 -3.386 -5.016 2.528 1.00 15.00 C ATOM 210 O THR A 445 -4.022 -4.137 3.105 1.00 15.00 O ATOM 211 CB THR A 445 -5.323 -5.823 1.164 1.00 15.00 C ATOM 212 OG1 THR A 445 -6.100 -6.981 0.831 1.00 15.00 O ATOM 213 CG2 THR A 445 -4.914 -5.096 -0.108 1.00 15.00 C ATOM 0 H THR A 445 -5.208 -6.722 3.675 1.00 15.00 H new ATOM 0 HA THR A 445 -3.412 -6.797 1.328 1.00 15.00 H new ATOM 0 HB THR A 445 -5.918 -5.139 1.770 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.886 -6.710 0.312 1.00 15.00 H new ATOM 0 HG21 THR A 445 -5.806 -4.807 -0.665 1.00 15.00 H new ATOM 0 HG22 THR A 445 -4.343 -4.204 0.150 1.00 15.00 H new ATOM 0 HG23 THR A 445 -4.300 -5.755 -0.722 1.00 15.00 H new ATOM 221 N TYR A 446 -2.069 -4.970 2.382 1.00 15.00 N ATOM 222 CA TYR A 446 -1.298 -3.855 2.905 1.00 15.00 C ATOM 223 C TYR A 446 -0.696 -3.041 1.767 1.00 15.00 C ATOM 224 O TYR A 446 -0.259 -3.586 0.749 1.00 15.00 O ATOM 225 CB TYR A 446 -0.211 -4.344 3.873 1.00 15.00 C ATOM 226 CG TYR A 446 0.856 -5.218 3.251 1.00 15.00 C ATOM 227 CD1 TYR A 446 0.690 -6.595 3.170 1.00 15.00 C ATOM 228 CD2 TYR A 446 2.036 -4.670 2.763 1.00 15.00 C ATOM 229 CE1 TYR A 446 1.666 -7.398 2.616 1.00 15.00 C ATOM 230 CE2 TYR A 446 3.018 -5.466 2.208 1.00 15.00 C ATOM 231 CZ TYR A 446 2.827 -6.831 2.138 1.00 15.00 C ATOM 232 OH TYR A 446 3.801 -7.630 1.591 1.00 15.00 O ATOM 0 H TYR A 446 -1.517 -5.686 1.910 1.00 15.00 H new ATOM 0 HA TYR A 446 -1.971 -3.207 3.466 1.00 15.00 H new ATOM 0 HB2 TYR A 446 0.270 -3.476 4.324 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -0.688 -4.899 4.681 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -0.217 -7.044 3.547 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.188 -3.602 2.819 1.00 15.00 H new ATOM 0 HE1 TYR A 446 1.520 -8.467 2.557 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.929 -5.024 1.832 1.00 15.00 H new ATOM 0 HH TYR A 446 4.511 -7.069 1.215 1.00 15.00 H new ATOM 242 N TYR A 447 -0.671 -1.735 1.961 1.00 15.00 N ATOM 243 CA TYR A 447 -0.221 -0.803 0.944 1.00 15.00 C ATOM 244 C TYR A 447 1.173 -0.306 1.259 1.00 15.00 C ATOM 245 O TYR A 447 1.392 0.361 2.265 1.00 15.00 O ATOM 246 CB TYR A 447 -1.204 0.365 0.854 1.00 15.00 C ATOM 247 CG TYR A 447 -2.580 -0.080 0.428 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.468 -0.629 1.346 1.00 15.00 C ATOM 249 CD2 TYR A 447 -2.980 0.013 -0.897 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.710 -1.080 0.953 1.00 15.00 C ATOM 251 CE2 TYR A 447 -4.225 -0.426 -1.293 1.00 15.00 C ATOM 252 CZ TYR A 447 -5.083 -0.972 -0.365 1.00 15.00 C ATOM 253 OH TYR A 447 -6.309 -1.441 -0.770 1.00 15.00 O ATOM 0 H TYR A 447 -0.963 -1.290 2.831 1.00 15.00 H new ATOM 0 HA TYR A 447 -0.185 -1.313 -0.019 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.268 0.859 1.823 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.826 1.102 0.145 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.180 -0.703 2.384 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -2.307 0.435 -1.628 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.385 -1.515 1.676 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -4.526 -0.342 -2.327 1.00 15.00 H new ATOM 0 HH TYR A 447 -6.184 -2.163 -1.420 1.00 15.00 H new ATOM 263 N TYR A 448 2.117 -0.649 0.409 1.00 15.00 N ATOM 264 CA TYR A 448 3.495 -0.257 0.621 1.00 15.00 C ATOM 265 C TYR A 448 3.898 0.833 -0.361 1.00 15.00 C ATOM 266 O TYR A 448 3.851 0.639 -1.576 1.00 15.00 O ATOM 267 CB TYR A 448 4.409 -1.477 0.477 1.00 15.00 C ATOM 268 CG TYR A 448 5.876 -1.176 0.693 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.367 -0.884 1.958 1.00 15.00 C ATOM 270 CD2 TYR A 448 6.769 -1.194 -0.368 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.708 -0.617 2.159 1.00 15.00 C ATOM 272 CE2 TYR A 448 8.110 -0.926 -0.177 1.00 15.00 C ATOM 273 CZ TYR A 448 8.575 -0.638 1.086 1.00 15.00 C ATOM 274 OH TYR A 448 9.914 -0.374 1.276 1.00 15.00 O ATOM 0 H TYR A 448 1.956 -1.198 -0.435 1.00 15.00 H new ATOM 0 HA TYR A 448 3.597 0.143 1.630 1.00 15.00 H new ATOM 0 HB2 TYR A 448 4.096 -2.239 1.191 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.278 -1.900 -0.519 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.690 -0.865 2.799 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.409 -1.422 -1.361 1.00 15.00 H new ATOM 0 HE1 TYR A 448 8.075 -0.393 3.150 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.791 -0.942 -1.015 1.00 15.00 H new ATOM 0 HH TYR A 448 10.384 -0.431 0.418 1.00 15.00 H new ATOM 284 N ASN A 449 4.281 1.980 0.171 1.00 15.00 N ATOM 285 CA ASN A 449 4.814 3.050 -0.650 1.00 15.00 C ATOM 286 C ASN A 449 6.314 2.872 -0.744 1.00 15.00 C ATOM 287 O ASN A 449 7.024 2.964 0.260 1.00 15.00 O ATOM 288 CB ASN A 449 4.484 4.425 -0.055 1.00 15.00 C ATOM 289 CG ASN A 449 4.864 5.576 -0.977 1.00 15.00 C ATOM 290 OD1 ASN A 449 5.801 5.480 -1.767 1.00 15.00 O ATOM 291 ND2 ASN A 449 4.140 6.677 -0.876 1.00 15.00 N ATOM 0 H ASN A 449 4.233 2.193 1.167 1.00 15.00 H new ATOM 0 HA ASN A 449 4.361 3.005 -1.640 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.417 4.476 0.160 1.00 15.00 H new ATOM 0 HB3 ASN A 449 5.006 4.539 0.895 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.352 7.482 -1.465 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.369 6.721 -0.209 1.00 15.00 H new ATOM 298 N ASN A 450 6.781 2.605 -1.952 1.00 15.00 N ATOM 299 CA ASN A 450 8.180 2.281 -2.193 1.00 15.00 C ATOM 300 C ASN A 450 9.046 3.532 -2.177 1.00 15.00 C ATOM 301 O ASN A 450 10.275 3.447 -2.135 1.00 15.00 O ATOM 302 CB ASN A 450 8.340 1.566 -3.542 1.00 15.00 C ATOM 303 CG ASN A 450 7.594 0.246 -3.613 1.00 15.00 C ATOM 304 OD1 ASN A 450 8.149 -0.811 -3.308 1.00 15.00 O ATOM 305 ND2 ASN A 450 6.332 0.292 -4.017 1.00 15.00 N ATOM 0 H ASN A 450 6.204 2.606 -2.793 1.00 15.00 H new ATOM 0 HA ASN A 450 8.508 1.620 -1.391 1.00 15.00 H new ATOM 0 HB2 ASN A 450 7.983 2.221 -4.337 1.00 15.00 H new ATOM 0 HB3 ASN A 450 9.399 1.387 -3.728 1.00 15.00 H new ATOM 0 HD21 ASN A 450 5.786 -0.567 -4.084 1.00 15.00 H new ATOM 0 HD22 ASN A 450 5.907 1.187 -4.261 1.00 15.00 H new ATOM 312 N ARG A 451 8.408 4.691 -2.215 1.00 15.00 N ATOM 313 CA ARG A 451 9.129 5.947 -2.306 1.00 15.00 C ATOM 314 C ARG A 451 9.339 6.570 -0.930 1.00 15.00 C ATOM 315 O ARG A 451 10.225 7.400 -0.747 1.00 15.00 O ATOM 316 CB ARG A 451 8.389 6.905 -3.247 1.00 15.00 C ATOM 317 CG ARG A 451 9.135 8.195 -3.547 1.00 15.00 C ATOM 318 CD ARG A 451 10.526 7.915 -4.102 1.00 15.00 C ATOM 319 NE ARG A 451 10.519 6.888 -5.147 1.00 15.00 N ATOM 320 CZ ARG A 451 11.400 6.833 -6.140 1.00 15.00 C ATOM 321 NH1 ARG A 451 12.273 7.819 -6.312 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 11.386 5.810 -6.982 1.00 15.00 N ATOM 0 H ARG A 451 7.393 4.786 -2.184 1.00 15.00 H new ATOM 0 HA ARG A 451 10.118 5.750 -2.719 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.189 6.389 -4.186 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.423 7.153 -2.807 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.567 8.787 -4.265 1.00 15.00 H new ATOM 0 HG3 ARG A 451 9.217 8.790 -2.637 1.00 15.00 H new ATOM 0 HD2 ARG A 451 10.944 8.837 -4.506 1.00 15.00 H new ATOM 0 HD3 ARG A 451 11.180 7.598 -3.290 1.00 15.00 H new ATOM 0 HE ARG A 451 9.794 6.172 -5.110 1.00 15.00 H new ATOM 0 HH11 ARG A 451 12.268 8.620 -5.681 1.00 15.00 H new ATOM 0 HH12 ARG A 451 12.949 7.775 -7.075 1.00 15.00 H new ATOM 0 HH21 ARG A 451 10.699 5.065 -6.868 1.00 15.00 H new ATOM 0 HH22 ARG A 451 12.062 5.768 -7.744 1.00 15.00 H new ATOM 336 N THR A 452 8.518 6.181 0.031 1.00 15.00 N ATOM 337 CA THR A 452 8.681 6.658 1.395 1.00 15.00 C ATOM 338 C THR A 452 8.873 5.496 2.366 1.00 15.00 C ATOM 339 O THR A 452 9.062 5.702 3.565 1.00 15.00 O ATOM 340 CB THR A 452 7.481 7.511 1.834 1.00 15.00 C ATOM 341 OG1 THR A 452 6.264 6.815 1.551 1.00 15.00 O ATOM 342 CG2 THR A 452 7.475 8.857 1.126 1.00 15.00 C ATOM 0 H THR A 452 7.736 5.540 -0.106 1.00 15.00 H new ATOM 0 HA THR A 452 9.576 7.281 1.414 1.00 15.00 H new ATOM 0 HB THR A 452 7.564 7.688 2.906 1.00 15.00 H new ATOM 0 HG1 THR A 452 5.510 7.299 1.949 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.614 9.438 1.457 1.00 15.00 H new ATOM 0 HG22 THR A 452 8.391 9.397 1.364 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.415 8.701 0.049 1.00 15.00 H new ATOM 350 N LEU A 453 8.818 4.275 1.828 1.00 15.00 N ATOM 351 CA LEU A 453 9.067 3.050 2.601 1.00 15.00 C ATOM 352 C LEU A 453 8.025 2.859 3.703 1.00 15.00 C ATOM 353 O LEU A 453 8.288 2.196 4.709 1.00 15.00 O ATOM 354 CB LEU A 453 10.477 3.064 3.214 1.00 15.00 C ATOM 355 CG LEU A 453 11.639 2.846 2.234 1.00 15.00 C ATOM 356 CD1 LEU A 453 11.911 4.099 1.410 1.00 15.00 C ATOM 357 CD2 LEU A 453 12.888 2.417 2.988 1.00 15.00 C ATOM 0 H LEU A 453 8.600 4.105 0.846 1.00 15.00 H new ATOM 0 HA LEU A 453 8.990 2.212 1.908 1.00 15.00 H new ATOM 0 HB2 LEU A 453 10.625 4.021 3.715 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.526 2.292 3.982 1.00 15.00 H new ATOM 0 HG LEU A 453 11.356 2.052 1.543 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.739 3.912 0.726 1.00 15.00 H new ATOM 0 HD12 LEU A 453 11.020 4.359 0.839 1.00 15.00 H new ATOM 0 HD13 LEU A 453 12.169 4.923 2.075 1.00 15.00 H new ATOM 0 HD21 LEU A 453 13.705 2.266 2.282 1.00 15.00 H new ATOM 0 HD22 LEU A 453 13.165 3.191 3.703 1.00 15.00 H new ATOM 0 HD23 LEU A 453 12.690 1.486 3.520 1.00 15.00 H new ATOM 369 N GLU A 454 6.824 3.379 3.486 1.00 15.00 N ATOM 370 CA GLU A 454 5.783 3.320 4.508 1.00 15.00 C ATOM 371 C GLU A 454 4.669 2.372 4.081 1.00 15.00 C ATOM 372 O GLU A 454 4.234 2.387 2.932 1.00 15.00 O ATOM 373 CB GLU A 454 5.224 4.717 4.795 1.00 15.00 C ATOM 374 CG GLU A 454 4.502 5.354 3.622 1.00 15.00 C ATOM 375 CD GLU A 454 4.060 6.772 3.915 1.00 15.00 C ATOM 376 OE1 GLU A 454 2.984 6.955 4.510 1.00 15.00 O ATOM 377 OE2 GLU A 454 4.796 7.711 3.548 1.00 15.00 O1- ATOM 0 H GLU A 454 6.546 3.842 2.621 1.00 15.00 H new ATOM 0 HA GLU A 454 6.227 2.937 5.427 1.00 15.00 H new ATOM 0 HB2 GLU A 454 4.537 4.654 5.639 1.00 15.00 H new ATOM 0 HB3 GLU A 454 6.044 5.368 5.099 1.00 15.00 H new ATOM 0 HG2 GLU A 454 5.158 5.354 2.752 1.00 15.00 H new ATOM 0 HG3 GLU A 454 3.631 4.751 3.365 1.00 15.00 H new ATOM 384 N SER A 455 4.209 1.547 5.007 1.00 15.00 N ATOM 385 CA SER A 455 3.158 0.591 4.705 1.00 15.00 C ATOM 386 C SER A 455 1.920 0.873 5.548 1.00 15.00 C ATOM 387 O SER A 455 1.975 0.850 6.777 1.00 15.00 O ATOM 388 CB SER A 455 3.651 -0.837 4.951 1.00 15.00 C ATOM 389 OG SER A 455 2.734 -1.792 4.442 1.00 15.00 O ATOM 0 H SER A 455 4.545 1.520 5.970 1.00 15.00 H new ATOM 0 HA SER A 455 2.892 0.693 3.653 1.00 15.00 H new ATOM 0 HB2 SER A 455 4.623 -0.975 4.478 1.00 15.00 H new ATOM 0 HB3 SER A 455 3.791 -0.997 6.020 1.00 15.00 H new ATOM 0 HG SER A 455 3.075 -2.695 4.611 1.00 15.00 H new ATOM 395 N THR A 456 0.812 1.145 4.884 1.00 15.00 N ATOM 396 CA THR A 456 -0.444 1.393 5.564 1.00 15.00 C ATOM 397 C THR A 456 -1.371 0.194 5.398 1.00 15.00 C ATOM 398 O THR A 456 -1.315 -0.506 4.386 1.00 15.00 O ATOM 399 CB THR A 456 -1.131 2.661 5.020 1.00 15.00 C ATOM 400 OG1 THR A 456 -1.462 2.498 3.634 1.00 15.00 O ATOM 401 CG2 THR A 456 -0.230 3.876 5.182 1.00 15.00 C ATOM 0 H THR A 456 0.758 1.200 3.867 1.00 15.00 H new ATOM 0 HA THR A 456 -0.231 1.546 6.622 1.00 15.00 H new ATOM 0 HB THR A 456 -2.045 2.817 5.594 1.00 15.00 H new ATOM 0 HG1 THR A 456 -2.429 2.371 3.541 1.00 15.00 H new ATOM 0 HG21 THR A 456 -0.736 4.759 4.791 1.00 15.00 H new ATOM 0 HG22 THR A 456 -0.006 4.024 6.238 1.00 15.00 H new ATOM 0 HG23 THR A 456 0.698 3.717 4.633 1.00 15.00 H new ATOM 409 N TRP A 457 -2.209 -0.057 6.392 1.00 15.00 N ATOM 410 CA TRP A 457 -3.140 -1.177 6.327 1.00 15.00 C ATOM 411 C TRP A 457 -4.521 -0.702 5.888 1.00 15.00 C ATOM 412 O TRP A 457 -5.478 -1.476 5.835 1.00 15.00 O ATOM 413 CB TRP A 457 -3.208 -1.890 7.678 1.00 15.00 C ATOM 414 CG TRP A 457 -1.898 -2.505 8.077 1.00 15.00 C ATOM 415 CD1 TRP A 457 -0.934 -1.946 8.866 1.00 15.00 C ATOM 416 CD2 TRP A 457 -1.403 -3.795 7.694 1.00 15.00 C ATOM 417 NE1 TRP A 457 0.126 -2.809 8.998 1.00 15.00 N ATOM 418 CE2 TRP A 457 -0.139 -3.952 8.291 1.00 15.00 C ATOM 419 CE3 TRP A 457 -1.908 -4.834 6.907 1.00 15.00 C ATOM 420 CZ2 TRP A 457 0.627 -5.105 8.125 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -1.148 -5.977 6.745 1.00 15.00 C ATOM 422 CH2 TRP A 457 0.107 -6.105 7.353 1.00 15.00 C ATOM 0 H TRP A 457 -2.265 0.494 7.248 1.00 15.00 H new ATOM 0 HA TRP A 457 -2.779 -1.888 5.584 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -3.519 -1.179 8.444 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -3.971 -2.667 7.636 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -0.996 -0.968 9.320 1.00 15.00 H new ATOM 0 HE1 TRP A 457 0.974 -2.628 9.536 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -2.875 -4.745 6.434 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 1.597 -5.204 8.590 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.529 -6.786 6.139 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.675 -7.012 7.209 1.00 15.00 H new ATOM 433 N GLU A 458 -4.610 0.578 5.560 1.00 15.00 N ATOM 434 CA GLU A 458 -5.829 1.147 5.016 1.00 15.00 C ATOM 435 C GLU A 458 -5.561 1.697 3.620 1.00 15.00 C ATOM 436 O GLU A 458 -4.427 2.060 3.297 1.00 15.00 O ATOM 437 CB GLU A 458 -6.403 2.217 5.961 1.00 15.00 C ATOM 438 CG GLU A 458 -5.369 3.114 6.627 1.00 15.00 C ATOM 439 CD GLU A 458 -4.822 4.184 5.708 1.00 15.00 C ATOM 440 OE1 GLU A 458 -5.497 5.216 5.523 1.00 15.00 O ATOM 441 OE2 GLU A 458 -3.712 4.005 5.184 1.00 15.00 O1- ATOM 0 H GLU A 458 -3.845 1.245 5.663 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.585 0.366 4.930 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -7.095 2.843 5.398 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -6.983 1.719 6.738 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -5.819 3.589 7.499 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -4.545 2.500 6.989 1.00 15.00 H new ATOM 448 N LYS A 459 -6.596 1.740 2.794 1.00 15.00 N ATOM 449 CA LYS A 459 -6.441 2.126 1.397 1.00 15.00 C ATOM 450 C LYS A 459 -6.242 3.633 1.264 1.00 15.00 C ATOM 451 O LYS A 459 -7.119 4.416 1.640 1.00 15.00 O ATOM 452 CB LYS A 459 -7.663 1.688 0.585 1.00 15.00 C ATOM 453 CG LYS A 459 -7.389 1.550 -0.905 1.00 15.00 C ATOM 454 CD LYS A 459 -8.655 1.224 -1.680 1.00 15.00 C ATOM 455 CE LYS A 459 -8.344 0.602 -3.035 1.00 15.00 C ATOM 456 NZ LYS A 459 -7.870 -0.801 -2.905 1.00 15.00 N1+ ATOM 0 H LYS A 459 -7.552 1.513 3.066 1.00 15.00 H new ATOM 0 HA LYS A 459 -5.555 1.626 1.007 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -8.021 0.733 0.970 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -8.465 2.412 0.733 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -6.959 2.477 -1.284 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -6.650 0.766 -1.068 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -9.271 0.538 -1.098 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -9.238 2.134 -1.823 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -9.237 0.627 -3.660 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -7.584 1.197 -3.542 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -7.143 -0.990 -3.624 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -7.466 -0.944 -1.958 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -8.670 -1.452 -3.042 1.00 15.00 H new ATOM 470 N PRO A 460 -5.081 4.050 0.728 1.00 15.00 N ATOM 471 CA PRO A 460 -4.770 5.462 0.494 1.00 15.00 C ATOM 472 C PRO A 460 -5.773 6.099 -0.457 1.00 15.00 C ATOM 473 O PRO A 460 -6.170 5.487 -1.451 1.00 15.00 O ATOM 474 CB PRO A 460 -3.378 5.431 -0.150 1.00 15.00 C ATOM 475 CG PRO A 460 -2.813 4.103 0.211 1.00 15.00 C ATOM 476 CD PRO A 460 -3.982 3.170 0.305 1.00 15.00 C ATOM 0 HA PRO A 460 -4.807 6.049 1.412 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.441 5.552 -1.231 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.752 6.241 0.225 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -2.102 3.763 -0.542 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.275 4.152 1.158 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -4.194 2.692 -0.652 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.804 2.373 1.027 1.00 15.00 H new ATOM 484 N GLN A 461 -6.157 7.337 -0.167 1.00 15.00 N ATOM 485 CA GLN A 461 -7.154 8.040 -0.966 1.00 15.00 C ATOM 486 C GLN A 461 -6.631 8.318 -2.377 1.00 15.00 C ATOM 487 O GLN A 461 -7.405 8.570 -3.301 1.00 15.00 O ATOM 488 CB GLN A 461 -7.570 9.341 -0.270 1.00 15.00 C ATOM 489 CG GLN A 461 -8.565 10.182 -1.059 1.00 15.00 C ATOM 490 CD GLN A 461 -9.082 11.365 -0.267 1.00 15.00 C ATOM 491 OE1 GLN A 461 -8.405 11.875 0.627 1.00 15.00 O ATOM 492 NE2 GLN A 461 -10.276 11.828 -0.599 1.00 15.00 N ATOM 0 H GLN A 461 -5.792 7.876 0.618 1.00 15.00 H new ATOM 0 HA GLN A 461 -8.032 7.401 -1.059 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -8.005 9.098 0.699 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -6.679 9.938 -0.078 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -8.089 10.540 -1.972 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -9.405 9.557 -1.361 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -10.808 11.379 -1.345 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -10.665 12.634 -0.109 1.00 15.00 H new ATOM 501 N GLU A 462 -5.316 8.261 -2.536 1.00 15.00 N ATOM 502 CA GLU A 462 -4.692 8.435 -3.840 1.00 15.00 C ATOM 503 C GLU A 462 -5.009 7.247 -4.750 1.00 15.00 C ATOM 504 O GLU A 462 -4.822 7.314 -5.964 1.00 15.00 O ATOM 505 CB GLU A 462 -3.172 8.596 -3.699 1.00 15.00 C ATOM 506 CG GLU A 462 -2.749 9.685 -2.719 1.00 15.00 C ATOM 507 CD GLU A 462 -2.547 9.167 -1.306 1.00 15.00 C ATOM 508 OE1 GLU A 462 -3.526 8.712 -0.679 1.00 15.00 O ATOM 509 OE2 GLU A 462 -1.401 9.216 -0.812 1.00 15.00 O1- ATOM 0 H GLU A 462 -4.658 8.095 -1.774 1.00 15.00 H new ATOM 0 HA GLU A 462 -5.098 9.341 -4.290 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -2.745 7.646 -3.376 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -2.749 8.819 -4.678 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -1.823 10.141 -3.069 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -3.506 10.469 -2.708 1.00 15.00 H new ATOM 516 N LEU A 463 -5.466 6.154 -4.145 1.00 15.00 N ATOM 517 CA LEU A 463 -5.848 4.955 -4.888 1.00 15.00 C ATOM 518 C LEU A 463 -7.298 4.593 -4.582 1.00 15.00 C ATOM 519 O LEU A 463 -7.778 3.523 -4.958 1.00 15.00 O ATOM 520 CB LEU A 463 -4.936 3.767 -4.528 1.00 15.00 C ATOM 521 CG LEU A 463 -3.508 3.805 -5.095 1.00 15.00 C ATOM 522 CD1 LEU A 463 -3.527 4.096 -6.588 1.00 15.00 C ATOM 523 CD2 LEU A 463 -2.645 4.816 -4.354 1.00 15.00 C ATOM 0 H LEU A 463 -5.582 6.073 -3.135 1.00 15.00 H new ATOM 0 HA LEU A 463 -5.739 5.167 -5.952 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -4.871 3.703 -3.442 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -5.416 2.851 -4.873 1.00 15.00 H new ATOM 0 HG LEU A 463 -3.064 2.821 -4.946 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -2.505 4.118 -6.967 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -4.089 3.317 -7.103 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -4.001 5.062 -6.764 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.641 4.818 -4.779 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -3.083 5.809 -4.452 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -2.592 4.545 -3.299 1.00 15.00 H new ATOM 535 N LYS A 464 -7.988 5.510 -3.918 1.00 15.00 N ATOM 536 CA LYS A 464 -9.353 5.287 -3.474 1.00 15.00 C ATOM 537 C LYS A 464 -10.322 5.538 -4.626 1.00 15.00 C ATOM 538 O LYS A 464 -10.791 4.555 -5.238 1.00 15.00 O ATOM 539 CB LYS A 464 -9.655 6.216 -2.288 1.00 15.00 C ATOM 540 CG LYS A 464 -10.812 5.777 -1.402 1.00 15.00 C ATOM 541 CD LYS A 464 -12.165 6.081 -2.020 1.00 15.00 C ATOM 542 CE LYS A 464 -13.288 5.809 -1.037 1.00 15.00 C ATOM 543 NZ LYS A 464 -14.624 6.093 -1.619 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -10.585 6.716 -4.934 1.00 15.00 O ATOM 0 H LYS A 464 -7.616 6.428 -3.673 1.00 15.00 H new ATOM 0 HA LYS A 464 -9.474 4.253 -3.151 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -8.758 6.298 -1.674 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -9.870 7.213 -2.673 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -10.735 4.706 -1.213 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -10.736 6.277 -0.437 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -12.198 7.124 -2.335 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -12.305 5.473 -2.914 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -13.246 4.767 -0.719 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -13.144 6.420 -0.146 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -15.360 5.893 -0.912 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -14.675 7.093 -1.899 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -14.774 5.492 -2.454 1.00 15.00 H new