USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 294 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 GLN : amide:sc= -0.626 K(o=-0.63,f=-4.5!) USER MOD Single : A 22 THR OG1 : rot -0:sc= -0.196 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N ILE A 6 2.380 6.643 10.532 1.00 0.00 N ATOM 65 CA ILE A 6 1.823 6.663 9.200 1.00 0.00 C ATOM 66 C ILE A 6 0.607 7.574 9.131 1.00 0.00 C ATOM 67 O ILE A 6 0.485 8.401 8.248 1.00 0.00 O ATOM 68 CB ILE A 6 1.447 5.221 8.776 1.00 0.00 C ATOM 69 CG1 ILE A 6 1.724 5.070 7.283 1.00 0.00 C ATOM 70 CG2 ILE A 6 -0.030 4.896 9.049 1.00 0.00 C ATOM 71 CD1 ILE A 6 3.216 4.777 7.081 1.00 0.00 C ATOM 0 HA ILE A 6 2.571 7.057 8.512 1.00 0.00 H new ATOM 0 HB ILE A 6 2.047 4.528 9.365 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.122 4.262 6.868 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.444 5.981 6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.242 3.874 8.734 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.234 4.997 10.115 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.663 5.586 8.492 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.424 4.667 6.017 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.806 5.600 7.483 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.479 3.855 7.599 1.00 0.00 H new ATOM 83 N TRP A 7 -0.300 7.406 10.057 1.00 0.00 N ATOM 84 CA TRP A 7 -1.492 8.207 10.068 1.00 0.00 C ATOM 85 C TRP A 7 -1.120 9.672 10.251 1.00 0.00 C ATOM 86 O TRP A 7 -1.717 10.553 9.640 1.00 0.00 O ATOM 87 CB TRP A 7 -2.403 7.702 11.189 1.00 0.00 C ATOM 88 CG TRP A 7 -3.340 8.781 11.588 1.00 0.00 C ATOM 89 CD1 TRP A 7 -2.984 9.816 12.358 1.00 0.00 C ATOM 90 CD2 TRP A 7 -4.732 8.971 11.238 1.00 0.00 C ATOM 91 NE1 TRP A 7 -4.075 10.651 12.518 1.00 0.00 N ATOM 92 CE2 TRP A 7 -5.182 10.165 11.845 1.00 0.00 C ATOM 93 CE3 TRP A 7 -5.638 8.229 10.463 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -6.492 10.610 11.684 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -6.956 8.672 10.299 1.00 0.00 C ATOM 96 CH2 TRP A 7 -7.383 9.858 10.907 1.00 0.00 C ATOM 0 H TRP A 7 -0.235 6.723 10.811 1.00 0.00 H new ATOM 0 HA TRP A 7 -2.028 8.124 9.122 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.960 6.827 10.853 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -1.805 7.390 12.045 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.005 9.974 12.785 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -4.065 11.514 13.062 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -5.317 7.312 9.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.818 11.526 12.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -7.646 8.096 9.701 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -8.401 10.194 10.777 1.00 0.00 H new ATOM 107 N GLN A 8 -0.126 9.927 11.083 1.00 0.00 N ATOM 108 CA GLN A 8 0.309 11.294 11.319 1.00 0.00 C ATOM 109 C GLN A 8 0.860 11.846 10.023 1.00 0.00 C ATOM 110 O GLN A 8 0.642 13.004 9.681 1.00 0.00 O ATOM 111 CB GLN A 8 1.388 11.318 12.390 1.00 0.00 C ATOM 112 CG GLN A 8 0.881 10.617 13.655 1.00 0.00 C ATOM 113 CD GLN A 8 -0.013 11.548 14.466 1.00 0.00 C ATOM 114 OE1 GLN A 8 -0.884 12.221 13.917 1.00 0.00 O ATOM 115 NE2 GLN A 8 0.157 11.622 15.753 1.00 0.00 N ATOM 0 H GLN A 8 0.390 9.216 11.601 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.530 11.900 11.660 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.287 10.822 12.024 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.663 12.348 12.619 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.327 9.719 13.382 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.727 10.296 14.263 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.880 11.062 16.205 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.433 12.240 16.311 1.00 0.00 H new ATOM 124 N LEU A 9 1.564 10.989 9.305 1.00 0.00 N ATOM 125 CA LEU A 9 2.141 11.358 8.025 1.00 0.00 C ATOM 126 C LEU A 9 1.041 11.535 6.974 1.00 0.00 C ATOM 127 O LEU A 9 1.149 12.368 6.079 1.00 0.00 O ATOM 128 CB LEU A 9 3.218 10.328 7.596 1.00 0.00 C ATOM 129 CG LEU A 9 2.752 9.448 6.423 1.00 0.00 C ATOM 130 CD1 LEU A 9 2.675 10.271 5.097 1.00 0.00 C ATOM 131 CD2 LEU A 9 3.715 8.271 6.230 1.00 0.00 C ATOM 0 H LEU A 9 1.750 10.027 9.589 1.00 0.00 H new ATOM 0 HA LEU A 9 2.645 12.319 8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.129 10.855 7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.469 9.693 8.446 1.00 0.00 H new ATOM 0 HG LEU A 9 1.756 9.074 6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.343 9.623 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.968 11.092 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.660 10.673 4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.375 7.655 5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.715 8.650 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.741 7.670 7.139 1.00 0.00 H new ATOM 143 N LEU A 10 0.033 10.674 7.045 1.00 0.00 N ATOM 144 CA LEU A 10 -1.036 10.657 6.061 1.00 0.00 C ATOM 145 C LEU A 10 -1.794 11.981 6.092 1.00 0.00 C ATOM 146 O LEU A 10 -2.013 12.605 5.060 1.00 0.00 O ATOM 147 CB LEU A 10 -1.967 9.492 6.445 1.00 0.00 C ATOM 148 CG LEU A 10 -2.710 8.969 5.228 1.00 0.00 C ATOM 149 CD1 LEU A 10 -3.731 7.915 5.660 1.00 0.00 C ATOM 150 CD2 LEU A 10 -3.428 10.120 4.531 1.00 0.00 C ATOM 0 H LEU A 10 -0.064 9.974 7.781 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.646 10.526 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.384 8.688 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.682 9.825 7.197 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.996 8.518 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.262 7.542 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.216 7.089 6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.444 8.361 6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.960 9.742 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.139 10.576 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.699 10.866 4.216 1.00 0.00 H new ATOM 162 N ILE A 11 -2.141 12.433 7.271 1.00 0.00 N ATOM 163 CA ILE A 11 -2.819 13.714 7.400 1.00 0.00 C ATOM 164 C ILE A 11 -1.869 14.805 6.949 1.00 0.00 C ATOM 165 O ILE A 11 -2.259 15.719 6.238 1.00 0.00 O ATOM 166 CB ILE A 11 -3.272 13.969 8.850 1.00 0.00 C ATOM 167 CG1 ILE A 11 -4.567 13.195 9.139 1.00 0.00 C ATOM 168 CG2 ILE A 11 -3.528 15.469 9.073 1.00 0.00 C ATOM 169 CD1 ILE A 11 -4.238 11.733 9.396 1.00 0.00 C ATOM 0 H ILE A 11 -1.971 11.945 8.151 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.714 13.708 6.778 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.482 13.631 9.521 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.073 13.622 10.005 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.251 13.282 8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.848 15.635 10.102 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.611 16.027 8.884 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.307 15.810 8.392 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.157 11.184 9.601 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.751 11.310 8.518 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.570 11.656 10.254 1.00 0.00 H new ATOM 181 N ILE A 12 -0.623 14.712 7.379 1.00 0.00 N ATOM 182 CA ILE A 12 0.344 15.716 7.027 1.00 0.00 C ATOM 183 C ILE A 12 0.584 15.758 5.528 1.00 0.00 C ATOM 184 O ILE A 12 0.645 16.831 4.939 1.00 0.00 O ATOM 185 CB ILE A 12 1.646 15.446 7.772 1.00 0.00 C ATOM 186 CG1 ILE A 12 1.455 15.765 9.256 1.00 0.00 C ATOM 187 CG2 ILE A 12 2.772 16.293 7.192 1.00 0.00 C ATOM 188 CD1 ILE A 12 2.619 15.192 10.056 1.00 0.00 C ATOM 0 H ILE A 12 -0.267 13.957 7.966 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.047 16.691 7.318 1.00 0.00 H new ATOM 0 HB ILE A 12 1.914 14.395 7.660 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.396 16.844 9.402 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.514 15.344 9.611 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.696 16.090 7.734 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.907 16.047 6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.520 17.349 7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.481 15.420 11.113 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.657 14.111 9.920 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.552 15.634 9.708 1.00 0.00 H new ATOM 200 N ALA A 13 0.727 14.598 4.928 1.00 0.00 N ATOM 201 CA ALA A 13 0.977 14.516 3.501 1.00 0.00 C ATOM 202 C ALA A 13 -0.203 15.059 2.711 1.00 0.00 C ATOM 203 O ALA A 13 -0.022 15.702 1.685 1.00 0.00 O ATOM 204 CB ALA A 13 1.245 13.065 3.125 1.00 0.00 C ATOM 0 H ALA A 13 0.675 13.697 5.403 1.00 0.00 H new ATOM 0 HA ALA A 13 1.848 15.124 3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.434 12.996 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.116 12.703 3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.377 12.457 3.381 1.00 0.00 H new ATOM 210 N VAL A 14 -1.412 14.810 3.182 1.00 0.00 N ATOM 211 CA VAL A 14 -2.591 15.295 2.484 1.00 0.00 C ATOM 212 C VAL A 14 -2.669 16.806 2.529 1.00 0.00 C ATOM 213 O VAL A 14 -2.931 17.428 1.513 1.00 0.00 O ATOM 214 CB VAL A 14 -3.843 14.679 3.115 1.00 0.00 C ATOM 215 CG1 VAL A 14 -5.099 15.322 2.518 1.00 0.00 C ATOM 216 CG2 VAL A 14 -3.859 13.165 2.858 1.00 0.00 C ATOM 0 H VAL A 14 -1.603 14.282 4.033 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.525 14.997 1.438 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.829 14.861 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.985 14.879 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.088 16.394 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.119 15.151 1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.751 12.729 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.866 12.978 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.971 12.712 3.299 1.00 0.00 H new ATOM 226 N ILE A 15 -2.410 17.386 3.689 1.00 0.00 N ATOM 227 CA ILE A 15 -2.432 18.835 3.838 1.00 0.00 C ATOM 228 C ILE A 15 -1.323 19.444 3.048 1.00 0.00 C ATOM 229 O ILE A 15 -1.512 20.450 2.385 1.00 0.00 O ATOM 230 CB ILE A 15 -2.330 19.243 5.297 1.00 0.00 C ATOM 231 CG1 ILE A 15 -3.450 18.558 6.064 1.00 0.00 C ATOM 232 CG2 ILE A 15 -2.496 20.761 5.419 1.00 0.00 C ATOM 233 CD1 ILE A 15 -3.188 18.660 7.560 1.00 0.00 C ATOM 0 H ILE A 15 -2.182 16.877 4.543 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.386 19.202 3.458 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.359 18.954 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.406 19.021 5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.519 17.511 5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.423 21.052 6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.713 21.260 4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.471 21.053 5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.993 18.168 8.105 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.241 18.176 7.797 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.142 19.710 7.851 1.00 0.00 H new ATOM 245 N VAL A 16 -0.170 18.832 3.132 1.00 0.00 N ATOM 246 CA VAL A 16 0.979 19.329 2.437 1.00 0.00 C ATOM 247 C VAL A 16 0.774 19.274 0.971 1.00 0.00 C ATOM 248 O VAL A 16 1.146 20.195 0.275 1.00 0.00 O ATOM 249 CB VAL A 16 2.210 18.472 2.834 1.00 0.00 C ATOM 250 CG1 VAL A 16 3.185 18.296 1.665 1.00 0.00 C ATOM 251 CG2 VAL A 16 2.962 19.134 3.972 1.00 0.00 C ATOM 0 H VAL A 16 -0.006 17.986 3.678 1.00 0.00 H new ATOM 0 HA VAL A 16 1.143 20.371 2.713 1.00 0.00 H new ATOM 0 HB VAL A 16 1.831 17.495 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.032 17.690 1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.676 17.800 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.541 19.273 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.824 18.524 4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.301 20.122 3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.303 19.233 4.835 1.00 0.00 H new ATOM 261 N VAL A 17 0.219 18.220 0.483 1.00 0.00 N ATOM 262 CA VAL A 17 0.068 18.130 -0.928 1.00 0.00 C ATOM 263 C VAL A 17 -0.884 19.158 -1.479 1.00 0.00 C ATOM 264 O VAL A 17 -0.573 19.823 -2.459 1.00 0.00 O ATOM 265 CB VAL A 17 -0.355 16.707 -1.314 1.00 0.00 C ATOM 266 CG1 VAL A 17 -0.478 16.644 -2.811 1.00 0.00 C ATOM 267 CG2 VAL A 17 0.702 15.687 -0.863 1.00 0.00 C ATOM 0 H VAL A 17 -0.130 17.427 1.022 1.00 0.00 H new ATOM 0 HA VAL A 17 1.035 18.349 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.302 16.469 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.778 15.640 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.228 17.361 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.483 16.885 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.383 14.684 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.654 15.914 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.819 15.739 0.219 1.00 0.00 H new ATOM 277 N LEU A 18 -2.000 19.339 -0.851 1.00 0.00 N ATOM 278 CA LEU A 18 -2.948 20.339 -1.322 1.00 0.00 C ATOM 279 C LEU A 18 -2.422 21.733 -1.017 1.00 0.00 C ATOM 280 O LEU A 18 -2.504 22.643 -1.839 1.00 0.00 O ATOM 281 CB LEU A 18 -4.321 20.097 -0.725 1.00 0.00 C ATOM 282 CG LEU A 18 -4.210 19.871 0.805 1.00 0.00 C ATOM 283 CD1 LEU A 18 -4.518 21.168 1.545 1.00 0.00 C ATOM 284 CD2 LEU A 18 -5.180 18.753 1.214 1.00 0.00 C ATOM 0 H LEU A 18 -2.290 18.824 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.056 20.256 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.969 20.950 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.782 19.228 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.196 19.570 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.438 21.002 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.807 21.937 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.529 21.494 1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.110 18.586 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.199 19.043 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.921 17.835 0.686 1.00 0.00 H new ATOM 296 N LEU A 19 -1.887 21.886 0.180 1.00 0.00 N ATOM 297 CA LEU A 19 -1.350 23.155 0.608 1.00 0.00 C ATOM 298 C LEU A 19 -0.154 23.547 -0.248 1.00 0.00 C ATOM 299 O LEU A 19 -0.014 24.704 -0.640 1.00 0.00 O ATOM 300 CB LEU A 19 -0.919 22.997 2.060 1.00 0.00 C ATOM 301 CG LEU A 19 -0.243 24.254 2.601 1.00 0.00 C ATOM 302 CD1 LEU A 19 1.206 24.390 2.077 1.00 0.00 C ATOM 303 CD2 LEU A 19 -1.045 25.505 2.232 1.00 0.00 C ATOM 0 H LEU A 19 -1.815 21.141 0.873 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.102 23.938 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.790 22.763 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.234 22.153 2.144 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.208 24.159 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.656 25.296 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.789 23.524 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.196 24.446 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.544 26.388 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.117 25.584 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.046 25.434 2.658 1.00 0.00 H new ATOM 315 N PHE A 20 0.708 22.592 -0.564 1.00 0.00 N ATOM 316 CA PHE A 20 1.856 22.931 -1.399 1.00 0.00 C ATOM 317 C PHE A 20 1.365 23.250 -2.795 1.00 0.00 C ATOM 318 O PHE A 20 1.847 24.180 -3.440 1.00 0.00 O ATOM 319 CB PHE A 20 2.904 21.805 -1.434 1.00 0.00 C ATOM 320 CG PHE A 20 3.970 22.081 -0.383 1.00 0.00 C ATOM 321 CD1 PHE A 20 3.734 21.848 0.979 1.00 0.00 C ATOM 322 CD2 PHE A 20 5.202 22.579 -0.797 1.00 0.00 C ATOM 323 CE1 PHE A 20 4.741 22.108 1.913 1.00 0.00 C ATOM 324 CE2 PHE A 20 6.207 22.842 0.132 1.00 0.00 C ATOM 325 CZ PHE A 20 5.981 22.602 1.490 1.00 0.00 C ATOM 0 H PHE A 20 0.644 21.617 -0.272 1.00 0.00 H new ATOM 0 HA PHE A 20 2.352 23.801 -0.969 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.428 20.843 -1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.358 21.745 -2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.777 21.469 1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.381 22.763 -1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.562 21.928 2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.159 23.231 -0.197 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.761 22.797 2.211 1.00 0.00 H new ATOM 335 N GLY A 21 0.394 22.487 -3.247 1.00 0.00 N ATOM 336 CA GLY A 21 -0.186 22.705 -4.577 1.00 0.00 C ATOM 337 C GLY A 21 0.288 21.653 -5.555 1.00 0.00 C ATOM 338 O GLY A 21 0.068 21.770 -6.757 1.00 0.00 O ATOM 0 H GLY A 21 -0.016 21.712 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.274 22.682 -4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.090 23.695 -4.940 1.00 0.00 H new ATOM 342 N THR A 22 0.909 20.619 -5.017 1.00 0.00 N ATOM 343 CA THR A 22 1.390 19.509 -5.828 1.00 0.00 C ATOM 344 C THR A 22 2.340 19.962 -6.896 1.00 0.00 C ATOM 345 O THR A 22 2.253 19.528 -8.045 1.00 0.00 O ATOM 346 CB THR A 22 0.207 18.786 -6.448 1.00 0.00 C ATOM 347 OG1 THR A 22 -0.457 19.632 -7.372 1.00 0.00 O ATOM 348 CG2 THR A 22 -0.749 18.375 -5.322 1.00 0.00 C ATOM 0 H THR A 22 1.094 20.522 -4.019 1.00 0.00 H new ATOM 0 HA THR A 22 1.940 18.829 -5.177 1.00 0.00 H new ATOM 0 HB THR A 22 0.550 17.903 -6.987 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.005 20.501 -7.404 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.607 17.853 -5.746 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.230 17.715 -4.627 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.090 19.264 -4.792 1.00 0.00 H new ATOM 356 N LYS A 23 3.258 20.834 -6.512 1.00 0.00 N ATOM 357 CA LYS A 23 4.240 21.356 -7.444 1.00 0.00 C ATOM 358 C LYS A 23 5.658 21.182 -6.918 1.00 0.00 C ATOM 359 O LYS A 23 6.619 21.244 -7.684 1.00 0.00 O ATOM 360 CB LYS A 23 3.935 22.834 -7.697 1.00 0.00 C ATOM 361 CG LYS A 23 2.674 22.953 -8.553 1.00 0.00 C ATOM 362 CD LYS A 23 2.316 24.431 -8.726 1.00 0.00 C ATOM 363 CE LYS A 23 1.049 24.554 -9.577 1.00 0.00 C ATOM 364 NZ LYS A 23 0.668 25.991 -9.701 1.00 0.00 N ATOM 0 H LYS A 23 3.342 21.194 -5.561 1.00 0.00 H new ATOM 0 HA LYS A 23 4.177 20.798 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.795 23.355 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.776 23.309 -8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.837 22.490 -9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.849 22.420 -8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.159 24.894 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.140 24.962 -9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.219 24.126 -10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.236 23.990 -9.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.193 26.073 -10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.489 26.386 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.442 26.517 -10.155 1.00 0.00 H new ATOM 378 N LYS A 24 5.792 20.962 -5.615 1.00 0.00 N ATOM 379 CA LYS A 24 7.093 20.775 -5.011 1.00 0.00 C ATOM 380 C LYS A 24 7.507 19.305 -5.100 1.00 0.00 C ATOM 381 O LYS A 24 8.631 18.985 -5.487 1.00 0.00 O ATOM 382 CB LYS A 24 6.981 21.243 -3.553 1.00 0.00 C ATOM 383 CG LYS A 24 8.168 20.788 -2.701 1.00 0.00 C ATOM 384 CD LYS A 24 9.418 21.658 -2.986 1.00 0.00 C ATOM 385 CE LYS A 24 9.448 22.854 -2.033 1.00 0.00 C ATOM 386 NZ LYS A 24 10.656 23.692 -2.303 1.00 0.00 N ATOM 0 H LYS A 24 5.011 20.910 -4.961 1.00 0.00 H new ATOM 0 HA LYS A 24 7.860 21.351 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.915 22.331 -3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.058 20.857 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.908 20.852 -1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.392 19.742 -2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.322 21.062 -2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.402 22.005 -4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.545 23.452 -2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.460 22.506 -1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.669 24.502 -1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.513 23.121 -2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.627 24.037 -3.284 1.00 0.00 H new ATOM 400 N LEU A 25 6.588 18.431 -4.713 1.00 0.00 N ATOM 401 CA LEU A 25 6.831 16.990 -4.712 1.00 0.00 C ATOM 402 C LEU A 25 7.098 16.495 -6.108 1.00 0.00 C ATOM 403 O LEU A 25 7.875 15.582 -6.322 1.00 0.00 O ATOM 404 CB LEU A 25 5.637 16.222 -4.156 1.00 0.00 C ATOM 405 CG LEU A 25 4.898 17.126 -3.141 1.00 0.00 C ATOM 406 CD1 LEU A 25 3.809 17.924 -3.858 1.00 0.00 C ATOM 407 CD2 LEU A 25 4.239 16.306 -2.032 1.00 0.00 C ATOM 0 H LEU A 25 5.657 18.696 -4.392 1.00 0.00 H new ATOM 0 HA LEU A 25 7.700 16.817 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.965 15.932 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.970 15.304 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 25 5.638 17.792 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.291 18.559 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.262 18.545 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.096 17.238 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.730 16.975 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.516 15.618 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.001 15.740 -1.496 1.00 0.00 H new ATOM 463 N SER A 30 10.348 13.783 -8.321 1.00 0.00 N ATOM 464 CA SER A 30 10.686 13.188 -9.605 1.00 0.00 C ATOM 465 C SER A 30 12.052 12.524 -9.570 1.00 0.00 C ATOM 466 O SER A 30 12.230 11.426 -10.096 1.00 0.00 O ATOM 467 CB SER A 30 10.666 14.252 -10.701 1.00 0.00 C ATOM 468 OG SER A 30 10.975 13.644 -11.948 1.00 0.00 O ATOM 0 HA SER A 30 9.939 12.424 -9.820 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.685 14.726 -10.747 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.389 15.036 -10.476 1.00 0.00 H new ATOM 0 HG SER A 30 10.962 14.323 -12.655 1.00 0.00 H new ATOM 474 N ASP A 31 13.011 13.188 -8.950 1.00 0.00 N ATOM 475 CA ASP A 31 14.352 12.646 -8.855 1.00 0.00 C ATOM 476 C ASP A 31 14.387 11.558 -7.803 1.00 0.00 C ATOM 477 O ASP A 31 15.018 10.517 -7.980 1.00 0.00 O ATOM 478 CB ASP A 31 15.333 13.758 -8.501 1.00 0.00 C ATOM 479 CG ASP A 31 15.459 14.720 -9.678 1.00 0.00 C ATOM 480 OD1 ASP A 31 14.991 14.375 -10.751 1.00 0.00 O ATOM 481 OD2 ASP A 31 16.023 15.785 -9.490 1.00 0.00 O ATOM 0 H ASP A 31 12.886 14.098 -8.507 1.00 0.00 H new ATOM 0 HA ASP A 31 14.640 12.217 -9.815 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.989 14.293 -7.616 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.307 13.334 -8.258 1.00 0.00 H new ATOM 486 N LEU A 32 13.701 11.815 -6.701 1.00 0.00 N ATOM 487 CA LEU A 32 13.644 10.856 -5.612 1.00 0.00 C ATOM 488 C LEU A 32 12.862 9.620 -6.000 1.00 0.00 C ATOM 489 O LEU A 32 13.272 8.502 -5.712 1.00 0.00 O ATOM 490 CB LEU A 32 13.004 11.502 -4.381 1.00 0.00 C ATOM 491 CG LEU A 32 14.059 12.251 -3.575 1.00 0.00 C ATOM 492 CD1 LEU A 32 14.868 13.186 -4.477 1.00 0.00 C ATOM 493 CD2 LEU A 32 13.387 13.055 -2.457 1.00 0.00 C ATOM 0 H LEU A 32 13.178 12.676 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 32 14.665 10.553 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.215 12.188 -4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.536 10.737 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 32 14.740 11.522 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.615 13.710 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.366 12.603 -5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.200 13.911 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 32 14.147 13.588 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.691 13.772 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.845 12.378 -1.797 1.00 0.00 H new ATOM 505 N GLY A 33 11.732 9.815 -6.638 1.00 0.00 N ATOM 506 CA GLY A 33 10.928 8.678 -7.017 1.00 0.00 C ATOM 507 C GLY A 33 11.690 7.808 -7.996 1.00 0.00 C ATOM 508 O GLY A 33 11.714 6.587 -7.869 1.00 0.00 O ATOM 0 H GLY A 33 11.356 10.726 -6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.663 8.099 -6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.995 9.016 -7.468 1.00 0.00 H new ATOM 512 N ALA A 34 12.327 8.453 -8.961 1.00 0.00 N ATOM 513 CA ALA A 34 13.107 7.734 -9.954 1.00 0.00 C ATOM 514 C ALA A 34 14.375 7.152 -9.349 1.00 0.00 C ATOM 515 O ALA A 34 14.783 6.041 -9.691 1.00 0.00 O ATOM 516 CB ALA A 34 13.464 8.643 -11.119 1.00 0.00 C ATOM 0 H ALA A 34 12.319 9.466 -9.077 1.00 0.00 H new ATOM 0 HA ALA A 34 12.491 6.912 -10.319 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.048 8.085 -11.851 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.551 9.010 -11.587 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.050 9.487 -10.756 1.00 0.00 H new ATOM 522 N SER A 35 15.015 7.916 -8.471 1.00 0.00 N ATOM 523 CA SER A 35 16.260 7.463 -7.859 1.00 0.00 C ATOM 524 C SER A 35 16.025 6.219 -7.024 1.00 0.00 C ATOM 525 O SER A 35 16.810 5.272 -7.066 1.00 0.00 O ATOM 526 CB SER A 35 16.845 8.574 -6.993 1.00 0.00 C ATOM 527 OG SER A 35 17.838 8.029 -6.140 1.00 0.00 O ATOM 0 H SER A 35 14.699 8.838 -8.170 1.00 0.00 H new ATOM 0 HA SER A 35 16.967 7.216 -8.651 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.277 9.352 -7.622 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.058 9.042 -6.402 1.00 0.00 H new ATOM 0 HG SER A 35 18.217 8.741 -5.583 1.00 0.00 H new ATOM 533 N ILE A 36 14.936 6.222 -6.290 1.00 0.00 N ATOM 534 CA ILE A 36 14.577 5.088 -5.461 1.00 0.00 C ATOM 535 C ILE A 36 14.191 3.917 -6.328 1.00 0.00 C ATOM 536 O ILE A 36 14.506 2.778 -6.012 1.00 0.00 O ATOM 537 CB ILE A 36 13.444 5.485 -4.500 1.00 0.00 C ATOM 538 CG1 ILE A 36 14.035 6.064 -3.212 1.00 0.00 C ATOM 539 CG2 ILE A 36 12.587 4.264 -4.131 1.00 0.00 C ATOM 540 CD1 ILE A 36 15.128 7.093 -3.509 1.00 0.00 C ATOM 0 H ILE A 36 14.278 7.001 -6.248 1.00 0.00 H new ATOM 0 HA ILE A 36 15.435 4.785 -4.860 1.00 0.00 H new ATOM 0 HB ILE A 36 12.823 6.227 -5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 36 13.244 6.531 -2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.448 5.258 -2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.792 4.570 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.148 3.841 -5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.212 3.514 -3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 36 15.525 7.483 -2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.931 6.619 -4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.708 7.911 -4.094 1.00 0.00 H new ATOM 552 N LYS A 37 13.492 4.187 -7.401 1.00 0.00 N ATOM 553 CA LYS A 37 13.073 3.114 -8.256 1.00 0.00 C ATOM 554 C LYS A 37 14.312 2.388 -8.759 1.00 0.00 C ATOM 555 O LYS A 37 14.376 1.164 -8.739 1.00 0.00 O ATOM 556 CB LYS A 37 12.269 3.690 -9.441 1.00 0.00 C ATOM 557 CG LYS A 37 11.037 2.841 -9.696 1.00 0.00 C ATOM 558 CD LYS A 37 10.179 3.477 -10.788 1.00 0.00 C ATOM 559 CE LYS A 37 8.959 2.593 -11.065 1.00 0.00 C ATOM 560 NZ LYS A 37 8.129 3.210 -12.140 1.00 0.00 N ATOM 0 H LYS A 37 13.207 5.121 -7.697 1.00 0.00 H new ATOM 0 HA LYS A 37 12.438 2.415 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.974 4.717 -9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.893 3.718 -10.335 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.334 1.836 -9.995 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.457 2.742 -8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.857 4.471 -10.478 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.765 3.601 -11.699 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.280 1.596 -11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.368 2.476 -10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.301 2.609 -12.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.811 4.152 -11.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.695 3.299 -13.008 1.00 0.00 H new ATOM 574 N GLY A 38 15.303 3.156 -9.170 1.00 0.00 N ATOM 575 CA GLY A 38 16.549 2.569 -9.631 1.00 0.00 C ATOM 576 C GLY A 38 17.251 1.855 -8.480 1.00 0.00 C ATOM 577 O GLY A 38 17.873 0.808 -8.671 1.00 0.00 O ATOM 0 H GLY A 38 15.273 4.175 -9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 38 16.351 1.865 -10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 38 17.197 3.346 -10.037 1.00 0.00 H new ATOM 581 N PHE A 39 17.151 2.431 -7.282 1.00 0.00 N ATOM 582 CA PHE A 39 17.793 1.845 -6.112 1.00 0.00 C ATOM 583 C PHE A 39 17.069 0.587 -5.688 1.00 0.00 C ATOM 584 O PHE A 39 17.676 -0.469 -5.529 1.00 0.00 O ATOM 585 CB PHE A 39 17.806 2.855 -4.964 1.00 0.00 C ATOM 586 CG PHE A 39 18.761 2.394 -3.885 1.00 0.00 C ATOM 587 CD1 PHE A 39 20.143 2.476 -4.096 1.00 0.00 C ATOM 588 CD2 PHE A 39 18.267 1.898 -2.669 1.00 0.00 C ATOM 589 CE1 PHE A 39 21.032 2.059 -3.094 1.00 0.00 C ATOM 590 CE2 PHE A 39 19.156 1.485 -1.669 1.00 0.00 C ATOM 591 CZ PHE A 39 20.538 1.565 -1.882 1.00 0.00 C ATOM 0 H PHE A 39 16.637 3.293 -7.100 1.00 0.00 H new ATOM 0 HA PHE A 39 18.820 1.585 -6.370 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.107 3.835 -5.334 1.00 0.00 H new ATOM 0 HB3 PHE A 39 16.803 2.964 -4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 39 20.525 2.860 -5.030 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.202 1.835 -2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 39 22.098 2.119 -3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 39 18.776 1.104 -0.733 1.00 0.00 H new ATOM 0 HZ PHE A 39 21.223 1.245 -1.110 1.00 0.00 H new ATOM 601 N LYS A 40 15.767 0.697 -5.522 1.00 0.00 N ATOM 602 CA LYS A 40 14.977 -0.452 -5.128 1.00 0.00 C ATOM 603 C LYS A 40 15.044 -1.534 -6.182 1.00 0.00 C ATOM 604 O LYS A 40 15.107 -2.717 -5.855 1.00 0.00 O ATOM 605 CB LYS A 40 13.520 -0.044 -4.897 1.00 0.00 C ATOM 606 CG LYS A 40 13.372 0.556 -3.503 1.00 0.00 C ATOM 607 CD LYS A 40 11.970 1.161 -3.338 1.00 0.00 C ATOM 608 CE LYS A 40 10.939 0.050 -3.106 1.00 0.00 C ATOM 609 NZ LYS A 40 9.630 0.661 -2.731 1.00 0.00 N ATOM 0 H LYS A 40 15.238 1.559 -5.652 1.00 0.00 H new ATOM 0 HA LYS A 40 15.389 -0.843 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.211 0.680 -5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.868 -0.911 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.537 -0.213 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.129 1.324 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.962 1.856 -2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.706 1.733 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.827 -0.552 -4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.280 -0.619 -2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.929 -0.091 -2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.744 1.217 -1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.304 1.283 -3.499 1.00 0.00 H new ATOM 623 N LYS A 41 15.025 -1.142 -7.441 1.00 0.00 N ATOM 624 CA LYS A 41 15.081 -2.139 -8.488 1.00 0.00 C ATOM 625 C LYS A 41 16.380 -2.918 -8.391 1.00 0.00 C ATOM 626 O LYS A 41 16.404 -4.131 -8.597 1.00 0.00 O ATOM 627 CB LYS A 41 14.958 -1.510 -9.887 1.00 0.00 C ATOM 628 CG LYS A 41 13.485 -1.283 -10.243 1.00 0.00 C ATOM 629 CD LYS A 41 13.385 -0.797 -11.691 1.00 0.00 C ATOM 630 CE LYS A 41 13.878 0.647 -11.809 1.00 0.00 C ATOM 631 NZ LYS A 41 13.385 1.236 -13.085 1.00 0.00 N ATOM 0 H LYS A 41 14.973 -0.173 -7.756 1.00 0.00 H new ATOM 0 HA LYS A 41 14.234 -2.811 -8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 41 15.496 -0.562 -9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.422 -2.162 -10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.922 -2.208 -10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.045 -0.548 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.977 -1.443 -12.339 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.352 -0.863 -12.032 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.522 1.235 -10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.967 0.674 -11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.719 2.217 -13.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.746 0.680 -13.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.345 1.223 -13.095 1.00 0.00 H new ATOM 645 N ALA A 42 17.452 -2.217 -8.078 1.00 0.00 N ATOM 646 CA ALA A 42 18.749 -2.858 -7.959 1.00 0.00 C ATOM 647 C ALA A 42 18.762 -3.813 -6.764 1.00 0.00 C ATOM 648 O ALA A 42 19.371 -4.881 -6.820 1.00 0.00 O ATOM 649 CB ALA A 42 19.825 -1.788 -7.814 1.00 0.00 C ATOM 0 H ALA A 42 17.453 -1.212 -7.903 1.00 0.00 H new ATOM 0 HA ALA A 42 18.951 -3.444 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.802 -2.264 -7.724 1.00 0.00 H new ATOM 0 HB2 ALA A 42 19.816 -1.141 -8.691 1.00 0.00 H new ATOM 0 HB3 ALA A 42 19.628 -1.193 -6.922 1.00 0.00 H new