USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 704 hydrogens (19 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 NoAdj-H: B 336 M3L H2 : B 336 M3L N : B 335 VAL C :(H bumps) USER MOD NoAdj-H: B 336 M3L H : B 336 M3L N : B 335 VAL C :(H bumps) USER MOD Set 1.1: A 52 LYS NZ :NH3+ -169:sc= 0.25 (180deg=0) USER MOD Set 1.2: A 70 GLN : amide:sc= -3.65! K(o=-3.4!,f=-2.5) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.537 K(o=-0.54,f=-3.1!) USER MOD Single : A 42 THR OG1 : rot -19:sc= 0.582 USER MOD Single : A 47 TYR OH : rot 103:sc= 1.49 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -41:sc= 0.0192 USER MOD Single : A 61 CYS SG : rot 103:sc= -12.4! USER MOD Single : A 64 GLN : amide:sc= -2.27 X(o=-2.3,f=-2.3!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : B 332 THR OG1 : rot 180:sc= 0 USER MOD Single : B 337 LYS NZ :NH3+ 156:sc= 0.585 (180deg=-0.812!) USER MOD Single : B 339 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : B 341 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 -10.106 -26.495 18.008 1.00 0.00 N ATOM 2 CA SER A 5 -10.818 -25.892 16.852 1.00 0.00 C ATOM 3 C SER A 5 -9.896 -24.967 16.066 1.00 0.00 C ATOM 4 O SER A 5 -9.014 -24.322 16.640 1.00 0.00 O ATOM 5 CB SER A 5 -12.042 -25.112 17.336 1.00 0.00 C ATOM 6 OG SER A 5 -13.224 -25.575 16.706 1.00 0.00 O ATOM 0 HA SER A 5 -11.141 -26.699 16.195 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.138 -25.214 18.417 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.907 -24.051 17.127 1.00 0.00 H new ATOM 0 HG SER A 5 -13.992 -25.062 17.034 1.00 0.00 H new ATOM 11 N ARG A 6 -10.115 -24.910 14.735 1.00 0.00 N ATOM 12 CA ARG A 6 -9.326 -24.068 13.803 1.00 0.00 C ATOM 13 C ARG A 6 -7.830 -24.414 13.830 1.00 0.00 C ATOM 14 O ARG A 6 -7.128 -24.129 14.808 1.00 0.00 O ATOM 15 CB ARG A 6 -9.533 -22.568 14.090 1.00 0.00 C ATOM 16 CG ARG A 6 -10.052 -21.780 12.897 1.00 0.00 C ATOM 17 CD ARG A 6 -10.557 -20.407 13.317 1.00 0.00 C ATOM 18 NE ARG A 6 -10.152 -19.360 12.373 1.00 0.00 N ATOM 19 CZ ARG A 6 -9.197 -18.448 12.608 1.00 0.00 C ATOM 20 NH1 ARG A 6 -8.524 -18.433 13.757 1.00 0.00 N1+ ATOM 21 NH2 ARG A 6 -8.915 -17.543 11.680 1.00 0.00 N ATOM 0 H ARG A 6 -10.847 -25.449 14.272 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.697 -24.285 12.801 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.234 -22.459 14.918 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.587 -22.136 14.415 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.257 -21.667 12.160 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -10.858 -22.334 12.415 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.644 -20.428 13.391 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.175 -20.168 14.309 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.631 -19.323 11.473 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.731 -19.124 14.478 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.801 -17.731 13.916 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.423 -17.544 10.796 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.190 -16.846 11.851 1.00 0.00 H new ATOM 35 N LEU A 7 -7.361 -25.043 12.745 1.00 0.00 N ATOM 36 CA LEU A 7 -5.958 -25.436 12.606 1.00 0.00 C ATOM 37 C LEU A 7 -5.451 -25.102 11.196 1.00 0.00 C ATOM 38 O LEU A 7 -5.275 -25.987 10.347 1.00 0.00 O ATOM 39 CB LEU A 7 -5.783 -26.932 12.916 1.00 0.00 C ATOM 40 CG LEU A 7 -4.447 -27.310 13.559 1.00 0.00 C ATOM 41 CD1 LEU A 7 -4.605 -27.473 15.064 1.00 0.00 C ATOM 42 CD2 LEU A 7 -3.900 -28.586 12.937 1.00 0.00 C ATOM 0 H LEU A 7 -7.942 -25.292 11.944 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.363 -24.873 13.325 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.589 -27.246 13.579 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.894 -27.495 11.989 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.736 -26.505 13.375 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.645 -27.742 15.504 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.953 -26.535 15.497 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.331 -28.259 15.271 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.949 -28.841 13.406 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.610 -29.399 13.091 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.748 -28.434 11.868 1.00 0.00 H new ATOM 54 N SER A 8 -5.232 -23.806 10.958 1.00 0.00 N ATOM 55 CA SER A 8 -4.755 -23.317 9.664 1.00 0.00 C ATOM 56 C SER A 8 -3.339 -22.746 9.778 1.00 0.00 C ATOM 57 O SER A 8 -2.864 -22.456 10.880 1.00 0.00 O ATOM 58 CB SER A 8 -5.714 -22.249 9.125 1.00 0.00 C ATOM 59 OG SER A 8 -6.911 -22.835 8.643 1.00 0.00 O ATOM 0 H SER A 8 -5.379 -23.072 11.651 1.00 0.00 H new ATOM 0 HA SER A 8 -4.725 -24.157 8.970 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.947 -21.534 9.914 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.229 -21.692 8.323 1.00 0.00 H new ATOM 0 HG SER A 8 -7.506 -22.133 8.306 1.00 0.00 H new ATOM 65 N ARG A 9 -2.674 -22.590 8.622 1.00 0.00 N ATOM 66 CA ARG A 9 -1.309 -22.057 8.562 1.00 0.00 C ATOM 67 C ARG A 9 -1.313 -20.523 8.539 1.00 0.00 C ATOM 68 O ARG A 9 -2.338 -19.903 8.237 1.00 0.00 O ATOM 69 CB ARG A 9 -0.590 -22.603 7.324 1.00 0.00 C ATOM 70 CG ARG A 9 0.239 -23.846 7.603 1.00 0.00 C ATOM 71 CD ARG A 9 0.662 -24.535 6.316 1.00 0.00 C ATOM 72 NE ARG A 9 1.706 -25.539 6.548 1.00 0.00 N ATOM 73 CZ ARG A 9 2.764 -25.739 5.749 1.00 0.00 C ATOM 74 NH1 ARG A 9 2.943 -25.014 4.646 1.00 0.00 N1+ ATOM 75 NH2 ARG A 9 3.650 -26.676 6.058 1.00 0.00 N ATOM 0 H ARG A 9 -3.066 -22.828 7.711 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.777 -22.378 9.458 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.329 -22.834 6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.059 -21.827 6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.124 -23.573 8.178 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.338 -24.539 8.215 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.205 -25.012 5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.026 -23.790 5.609 1.00 0.00 H new ATOM 0 HE ARG A 9 1.621 -26.127 7.377 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.268 -24.291 4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.755 -25.182 4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.524 -27.239 6.899 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.457 -26.833 5.455 1.00 0.00 H new ATOM 89 N SER A 10 -0.155 -19.924 8.859 1.00 0.00 N ATOM 90 CA SER A 10 -0.005 -18.463 8.891 1.00 0.00 C ATOM 91 C SER A 10 0.228 -17.881 7.491 1.00 0.00 C ATOM 92 O SER A 10 -0.338 -16.838 7.152 1.00 0.00 O ATOM 93 CB SER A 10 1.151 -18.073 9.816 1.00 0.00 C ATOM 94 OG SER A 10 1.057 -16.713 10.203 1.00 0.00 O ATOM 0 H SER A 10 0.695 -20.434 9.100 1.00 0.00 H new ATOM 0 HA SER A 10 -0.937 -18.046 9.273 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.142 -18.708 10.702 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.101 -18.246 9.309 1.00 0.00 H new ATOM 0 HG SER A 10 1.805 -16.489 10.794 1.00 0.00 H new ATOM 100 N GLY A 11 1.059 -18.563 6.693 1.00 0.00 N ATOM 101 CA GLY A 11 1.351 -18.106 5.342 1.00 0.00 C ATOM 102 C GLY A 11 2.671 -18.635 4.816 1.00 0.00 C ATOM 103 O GLY A 11 2.695 -19.617 4.069 1.00 0.00 O ATOM 0 H GLY A 11 1.534 -19.425 6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.548 -18.420 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.370 -17.016 5.328 1.00 0.00 H new ATOM 107 N ALA A 12 3.779 -17.977 5.219 1.00 0.00 N ATOM 108 CA ALA A 12 5.154 -18.342 4.804 1.00 0.00 C ATOM 109 C ALA A 12 5.353 -18.202 3.291 1.00 0.00 C ATOM 110 O ALA A 12 4.646 -18.838 2.501 1.00 0.00 O ATOM 111 CB ALA A 12 5.527 -19.753 5.264 1.00 0.00 C ATOM 0 H ALA A 12 3.746 -17.173 5.845 1.00 0.00 H new ATOM 0 HA ALA A 12 5.824 -17.636 5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.542 -19.985 4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.471 -19.808 6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.834 -20.473 4.828 1.00 0.00 H new ATOM 117 N SER A 13 6.318 -17.362 2.903 1.00 0.00 N ATOM 118 CA SER A 13 6.620 -17.122 1.492 1.00 0.00 C ATOM 119 C SER A 13 8.024 -17.613 1.132 1.00 0.00 C ATOM 120 O SER A 13 8.195 -18.343 0.152 1.00 0.00 O ATOM 121 CB SER A 13 6.477 -15.631 1.164 1.00 0.00 C ATOM 122 OG SER A 13 6.140 -15.438 -0.198 1.00 0.00 O ATOM 0 H SER A 13 6.904 -16.836 3.551 1.00 0.00 H new ATOM 0 HA SER A 13 5.904 -17.687 0.895 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.709 -15.188 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.411 -15.115 1.387 1.00 0.00 H new ATOM 0 HG SER A 13 6.053 -14.479 -0.381 1.00 0.00 H new ATOM 128 N SER A 14 9.024 -17.209 1.933 1.00 0.00 N ATOM 129 CA SER A 14 10.418 -17.603 1.705 1.00 0.00 C ATOM 130 C SER A 14 11.125 -17.942 3.019 1.00 0.00 C ATOM 131 O SER A 14 11.869 -18.923 3.091 1.00 0.00 O ATOM 132 CB SER A 14 11.181 -16.486 0.979 1.00 0.00 C ATOM 133 OG SER A 14 12.187 -17.020 0.137 1.00 0.00 O ATOM 0 H SER A 14 8.889 -16.608 2.746 1.00 0.00 H new ATOM 0 HA SER A 14 10.408 -18.496 1.081 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.485 -15.891 0.387 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.632 -15.815 1.710 1.00 0.00 H new ATOM 0 HG SER A 14 12.657 -16.289 -0.315 1.00 0.00 H new ATOM 139 N LEU A 15 10.888 -17.111 4.062 1.00 0.00 N ATOM 140 CA LEU A 15 11.491 -17.276 5.411 1.00 0.00 C ATOM 141 C LEU A 15 13.024 -17.091 5.401 1.00 0.00 C ATOM 142 O LEU A 15 13.699 -17.362 6.402 1.00 0.00 O ATOM 143 CB LEU A 15 11.121 -18.644 6.030 1.00 0.00 C ATOM 144 CG LEU A 15 10.054 -18.602 7.129 1.00 0.00 C ATOM 145 CD1 LEU A 15 9.173 -19.840 7.061 1.00 0.00 C ATOM 146 CD2 LEU A 15 10.703 -18.486 8.502 1.00 0.00 C ATOM 0 H LEU A 15 10.270 -16.302 3.993 1.00 0.00 H new ATOM 0 HA LEU A 15 11.070 -16.485 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.772 -19.301 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.025 -19.094 6.442 1.00 0.00 H new ATOM 0 HG LEU A 15 9.430 -17.723 6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.420 -19.795 7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.680 -19.883 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.786 -20.731 7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.929 -18.458 9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.351 -19.346 8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.294 -17.571 8.549 1.00 0.00 H new ATOM 158 N TRP A 16 13.557 -16.610 4.269 1.00 0.00 N ATOM 159 CA TRP A 16 14.994 -16.380 4.113 1.00 0.00 C ATOM 160 C TRP A 16 15.257 -14.992 3.535 1.00 0.00 C ATOM 161 O TRP A 16 14.660 -14.611 2.524 1.00 0.00 O ATOM 162 CB TRP A 16 15.609 -17.453 3.206 1.00 0.00 C ATOM 163 CG TRP A 16 17.034 -17.788 3.550 1.00 0.00 C ATOM 164 CD1 TRP A 16 17.458 -18.647 4.525 1.00 0.00 C ATOM 165 CD2 TRP A 16 18.221 -17.275 2.924 1.00 0.00 C ATOM 166 NE1 TRP A 16 18.831 -18.698 4.545 1.00 0.00 N ATOM 167 CE2 TRP A 16 19.323 -17.867 3.573 1.00 0.00 C ATOM 168 CE3 TRP A 16 18.463 -16.373 1.879 1.00 0.00 C ATOM 169 CZ2 TRP A 16 20.639 -17.588 3.213 1.00 0.00 C ATOM 170 CZ3 TRP A 16 19.770 -16.099 1.524 1.00 0.00 C ATOM 171 CH2 TRP A 16 20.843 -16.704 2.189 1.00 0.00 C ATOM 0 H TRP A 16 13.007 -16.372 3.444 1.00 0.00 H new ATOM 0 HA TRP A 16 15.459 -16.440 5.097 1.00 0.00 H new ATOM 0 HB2 TRP A 16 15.006 -18.359 3.269 1.00 0.00 H new ATOM 0 HB3 TRP A 16 15.564 -17.112 2.172 1.00 0.00 H new ATOM 0 HD1 TRP A 16 16.809 -19.204 5.184 1.00 0.00 H new ATOM 0 HE1 TRP A 16 19.393 -19.263 5.181 1.00 0.00 H new ATOM 0 HE3 TRP A 16 17.642 -15.900 1.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 21.469 -18.053 3.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 19.967 -15.406 0.719 1.00 0.00 H new ATOM 0 HH2 TRP A 16 21.853 -16.468 1.887 1.00 0.00 H new ATOM 182 N ASP A 17 16.153 -14.248 4.190 1.00 0.00 N ATOM 183 CA ASP A 17 16.509 -12.897 3.758 1.00 0.00 C ATOM 184 C ASP A 17 17.990 -12.822 3.364 1.00 0.00 C ATOM 185 O ASP A 17 18.832 -13.422 4.038 1.00 0.00 O ATOM 186 CB ASP A 17 16.213 -11.888 4.869 1.00 0.00 C ATOM 187 CG ASP A 17 14.787 -11.374 4.818 1.00 0.00 C ATOM 188 OD1 ASP A 17 14.443 -10.677 3.841 1.00 0.00 O ATOM 189 OD2 ASP A 17 14.016 -11.670 5.755 1.00 0.00 O1- ATOM 0 H ASP A 17 16.646 -14.562 5.026 1.00 0.00 H new ATOM 0 HA ASP A 17 15.906 -12.651 2.884 1.00 0.00 H new ATOM 0 HB2 ASP A 17 16.394 -12.354 5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 17 16.902 -11.048 4.786 1.00 0.00 H new ATOM 194 N PRO A 18 18.337 -12.083 2.263 1.00 0.00 N ATOM 195 CA PRO A 18 19.737 -11.951 1.803 1.00 0.00 C ATOM 196 C PRO A 18 20.599 -11.084 2.733 1.00 0.00 C ATOM 197 O PRO A 18 20.070 -10.316 3.543 1.00 0.00 O ATOM 198 CB PRO A 18 19.600 -11.292 0.423 1.00 0.00 C ATOM 199 CG PRO A 18 18.303 -10.554 0.466 1.00 0.00 C ATOM 200 CD PRO A 18 17.401 -11.345 1.376 1.00 0.00 C ATOM 0 HA PRO A 18 20.243 -12.916 1.784 1.00 0.00 H new ATOM 0 HB2 PRO A 18 20.431 -10.615 0.226 1.00 0.00 H new ATOM 0 HB3 PRO A 18 19.602 -12.038 -0.371 1.00 0.00 H new ATOM 0 HG2 PRO A 18 18.444 -9.541 0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.871 -10.467 -0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 18 16.741 -10.693 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 18 16.765 -12.027 0.812 1.00 0.00 H new ATOM 208 N ALA A 19 21.924 -11.222 2.602 1.00 0.00 N ATOM 209 CA ALA A 19 22.878 -10.463 3.418 1.00 0.00 C ATOM 210 C ALA A 19 23.287 -9.150 2.747 1.00 0.00 C ATOM 211 O ALA A 19 23.764 -8.229 3.416 1.00 0.00 O ATOM 212 CB ALA A 19 24.108 -11.311 3.707 1.00 0.00 C ATOM 0 H ALA A 19 22.361 -11.857 1.934 1.00 0.00 H new ATOM 0 HA ALA A 19 22.383 -10.211 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 19 24.810 -10.739 4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 19 23.811 -12.210 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.585 -11.592 2.768 1.00 0.00 H new ATOM 218 N SER A 20 23.094 -9.073 1.423 1.00 0.00 N ATOM 219 CA SER A 20 23.435 -7.879 0.649 1.00 0.00 C ATOM 220 C SER A 20 22.198 -6.998 0.420 1.00 0.00 C ATOM 221 O SER A 20 21.089 -7.525 0.291 1.00 0.00 O ATOM 222 CB SER A 20 24.046 -8.275 -0.696 1.00 0.00 C ATOM 223 OG SER A 20 25.313 -8.887 -0.522 1.00 0.00 O ATOM 0 H SER A 20 22.700 -9.831 0.866 1.00 0.00 H new ATOM 0 HA SER A 20 24.165 -7.306 1.220 1.00 0.00 H new ATOM 0 HB2 SER A 20 23.376 -8.960 -1.215 1.00 0.00 H new ATOM 0 HB3 SER A 20 24.149 -7.392 -1.326 1.00 0.00 H new ATOM 0 HG SER A 20 25.681 -9.132 -1.397 1.00 0.00 H new ATOM 229 N PRO A 21 22.363 -5.639 0.363 1.00 0.00 N ATOM 230 CA PRO A 21 21.235 -4.709 0.149 1.00 0.00 C ATOM 231 C PRO A 21 20.683 -4.742 -1.283 1.00 0.00 C ATOM 232 O PRO A 21 21.414 -5.047 -2.231 1.00 0.00 O ATOM 233 CB PRO A 21 21.839 -3.334 0.461 1.00 0.00 C ATOM 234 CG PRO A 21 23.302 -3.479 0.194 1.00 0.00 C ATOM 235 CD PRO A 21 23.648 -4.908 0.520 1.00 0.00 C ATOM 0 HA PRO A 21 20.382 -4.972 0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 21 21.399 -2.559 -0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 21 21.654 -3.048 1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.533 -3.250 -0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 21 23.880 -2.788 0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 21 24.412 -5.296 -0.153 1.00 0.00 H new ATOM 0 HD3 PRO A 21 24.039 -5.002 1.533 1.00 0.00 H new ATOM 243 N ALA A 22 19.380 -4.420 -1.419 1.00 0.00 N ATOM 244 CA ALA A 22 18.666 -4.391 -2.718 1.00 0.00 C ATOM 245 C ALA A 22 18.784 -5.728 -3.491 1.00 0.00 C ATOM 246 O ALA A 22 19.804 -5.974 -4.146 1.00 0.00 O ATOM 247 CB ALA A 22 19.144 -3.219 -3.582 1.00 0.00 C ATOM 0 H ALA A 22 18.787 -4.171 -0.627 1.00 0.00 H new ATOM 0 HA ALA A 22 17.610 -4.248 -2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.604 -3.221 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.956 -2.281 -3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 22 20.212 -3.320 -3.773 1.00 0.00 H new ATOM 253 N PRO A 23 17.748 -6.629 -3.416 1.00 0.00 N ATOM 254 CA PRO A 23 17.763 -7.925 -4.133 1.00 0.00 C ATOM 255 C PRO A 23 17.664 -7.768 -5.657 1.00 0.00 C ATOM 256 O PRO A 23 18.260 -8.548 -6.405 1.00 0.00 O ATOM 257 CB PRO A 23 16.523 -8.664 -3.600 1.00 0.00 C ATOM 258 CG PRO A 23 16.103 -7.911 -2.383 1.00 0.00 C ATOM 259 CD PRO A 23 16.509 -6.487 -2.619 1.00 0.00 C ATOM 0 HA PRO A 23 18.700 -8.454 -3.960 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.727 -8.682 -4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 23 16.758 -9.701 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.027 -7.989 -2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 23 16.584 -8.311 -1.491 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.742 -5.932 -3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 23 16.688 -5.957 -1.684 1.00 0.00 H new ATOM 267 N THR A 24 16.909 -6.754 -6.096 1.00 0.00 N ATOM 268 CA THR A 24 16.722 -6.474 -7.523 1.00 0.00 C ATOM 269 C THR A 24 17.417 -5.170 -7.919 1.00 0.00 C ATOM 270 O THR A 24 17.772 -4.362 -7.054 1.00 0.00 O ATOM 271 CB THR A 24 15.223 -6.386 -7.894 1.00 0.00 C ATOM 272 OG1 THR A 24 14.500 -5.677 -6.880 1.00 0.00 O ATOM 273 CG2 THR A 24 14.628 -7.775 -8.073 1.00 0.00 C ATOM 0 H THR A 24 16.415 -6.110 -5.478 1.00 0.00 H new ATOM 0 HA THR A 24 17.169 -7.303 -8.071 1.00 0.00 H new ATOM 0 HB THR A 24 15.139 -5.846 -8.837 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.553 -5.627 -7.128 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.573 -7.688 -8.333 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.157 -8.297 -8.870 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.727 -8.336 -7.144 1.00 0.00 H new ATOM 281 N SER A 25 17.603 -4.973 -9.232 1.00 0.00 N ATOM 282 CA SER A 25 18.259 -3.773 -9.759 1.00 0.00 C ATOM 283 C SER A 25 17.252 -2.648 -10.002 1.00 0.00 C ATOM 284 O SER A 25 16.272 -2.825 -10.734 1.00 0.00 O ATOM 285 CB SER A 25 19.002 -4.100 -11.056 1.00 0.00 C ATOM 286 OG SER A 25 20.061 -3.186 -11.284 1.00 0.00 O ATOM 0 H SER A 25 17.306 -5.634 -9.950 1.00 0.00 H new ATOM 0 HA SER A 25 18.975 -3.430 -9.012 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.398 -5.114 -11.006 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.306 -4.071 -11.894 1.00 0.00 H new ATOM 0 HG SER A 25 20.520 -3.419 -12.118 1.00 0.00 H new ATOM 292 N GLY A 26 17.506 -1.497 -9.372 1.00 0.00 N ATOM 293 CA GLY A 26 16.635 -0.339 -9.510 1.00 0.00 C ATOM 294 C GLY A 26 17.348 0.971 -9.172 1.00 0.00 C ATOM 295 O GLY A 26 18.550 0.949 -8.892 1.00 0.00 O ATOM 0 H GLY A 26 18.310 -1.348 -8.762 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.258 -0.291 -10.532 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.771 -0.458 -8.857 1.00 0.00 H new ATOM 299 N PRO A 27 16.639 2.144 -9.188 1.00 0.00 N ATOM 300 CA PRO A 27 17.248 3.449 -8.875 1.00 0.00 C ATOM 301 C PRO A 27 17.474 3.649 -7.364 1.00 0.00 C ATOM 302 O PRO A 27 18.587 3.438 -6.875 1.00 0.00 O ATOM 303 CB PRO A 27 16.239 4.475 -9.445 1.00 0.00 C ATOM 304 CG PRO A 27 15.192 3.671 -10.154 1.00 0.00 C ATOM 305 CD PRO A 27 15.214 2.308 -9.525 1.00 0.00 C ATOM 0 HA PRO A 27 18.243 3.550 -9.308 1.00 0.00 H new ATOM 0 HB2 PRO A 27 15.798 5.074 -8.648 1.00 0.00 H new ATOM 0 HB3 PRO A 27 16.730 5.167 -10.129 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.210 4.132 -10.050 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.404 3.611 -11.221 1.00 0.00 H new ATOM 0 HD2 PRO A 27 14.578 2.257 -8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.867 1.537 -10.212 1.00 0.00 H new ATOM 313 N ARG A 28 16.417 4.058 -6.631 1.00 0.00 N ATOM 314 CA ARG A 28 16.494 4.282 -5.177 1.00 0.00 C ATOM 315 C ARG A 28 15.091 4.323 -4.532 1.00 0.00 C ATOM 316 O ARG A 28 14.861 3.598 -3.560 1.00 0.00 O ATOM 317 CB ARG A 28 17.265 5.573 -4.842 1.00 0.00 C ATOM 318 CG ARG A 28 18.530 5.334 -4.034 1.00 0.00 C ATOM 319 CD ARG A 28 19.221 6.641 -3.679 1.00 0.00 C ATOM 320 NE ARG A 28 20.637 6.443 -3.350 1.00 0.00 N ATOM 321 CZ ARG A 28 21.175 6.629 -2.135 1.00 0.00 C ATOM 322 NH1 ARG A 28 20.429 7.023 -1.103 1.00 0.00 N1+ ATOM 323 NH2 ARG A 28 22.471 6.419 -1.954 1.00 0.00 N ATOM 0 H ARG A 28 15.495 4.240 -7.028 1.00 0.00 H new ATOM 0 HA ARG A 28 17.040 3.436 -4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.527 6.081 -5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.610 6.244 -4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.283 4.793 -3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 28 19.213 4.703 -4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.137 7.334 -4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.713 7.101 -2.832 1.00 0.00 H new ATOM 0 HE ARG A 28 21.259 6.142 -4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.430 7.189 -1.229 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.857 7.159 -0.187 1.00 0.00 H new ATOM 0 HH21 ARG A 28 23.053 6.118 -2.736 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.887 6.559 -1.033 1.00 0.00 H new ATOM 337 N PRO A 29 14.118 5.161 -5.042 1.00 0.00 N ATOM 338 CA PRO A 29 12.763 5.249 -4.462 1.00 0.00 C ATOM 339 C PRO A 29 11.855 4.090 -4.879 1.00 0.00 C ATOM 340 O PRO A 29 11.831 3.699 -6.050 1.00 0.00 O ATOM 341 CB PRO A 29 12.206 6.576 -5.014 1.00 0.00 C ATOM 342 CG PRO A 29 13.329 7.213 -5.773 1.00 0.00 C ATOM 343 CD PRO A 29 14.238 6.094 -6.182 1.00 0.00 C ATOM 0 HA PRO A 29 12.802 5.202 -3.374 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.348 6.399 -5.663 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.866 7.223 -4.205 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.955 7.751 -6.645 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.857 7.938 -5.153 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.922 5.635 -7.119 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.264 6.434 -6.324 1.00 0.00 H new ATOM 351 N ARG A 30 11.114 3.551 -3.903 1.00 0.00 N ATOM 352 CA ARG A 30 10.188 2.438 -4.138 1.00 0.00 C ATOM 353 C ARG A 30 8.840 2.690 -3.458 1.00 0.00 C ATOM 354 O ARG A 30 7.796 2.290 -3.977 1.00 0.00 O ATOM 355 CB ARG A 30 10.792 1.121 -3.632 1.00 0.00 C ATOM 356 CG ARG A 30 10.533 -0.070 -4.552 1.00 0.00 C ATOM 357 CD ARG A 30 11.640 -0.245 -5.588 1.00 0.00 C ATOM 358 NE ARG A 30 11.106 -0.626 -6.901 1.00 0.00 N ATOM 359 CZ ARG A 30 11.658 -1.537 -7.716 1.00 0.00 C ATOM 360 NH1 ARG A 30 12.769 -2.187 -7.372 1.00 0.00 N1+ ATOM 361 NH2 ARG A 30 11.090 -1.798 -8.885 1.00 0.00 N ATOM 0 H ARG A 30 11.139 3.872 -2.935 1.00 0.00 H new ATOM 0 HA ARG A 30 10.022 2.363 -5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.868 1.248 -3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.385 0.901 -2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.449 -0.978 -3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.579 0.066 -5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.201 0.685 -5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.340 -1.007 -5.246 1.00 0.00 H new ATOM 0 HE ARG A 30 10.253 -0.164 -7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.215 -1.995 -6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.173 -2.876 -8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.239 -1.307 -9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.504 -2.490 -9.510 1.00 0.00 H new ATOM 375 N LEU A 31 8.882 3.336 -2.283 1.00 0.00 N ATOM 376 CA LEU A 31 7.680 3.660 -1.507 1.00 0.00 C ATOM 377 C LEU A 31 7.850 5.009 -0.806 1.00 0.00 C ATOM 378 O LEU A 31 8.708 5.162 0.072 1.00 0.00 O ATOM 379 CB LEU A 31 7.385 2.544 -0.477 1.00 0.00 C ATOM 380 CG LEU A 31 6.393 1.429 -0.905 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.211 1.981 -1.686 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.086 0.343 -1.712 1.00 0.00 C ATOM 0 H LEU A 31 9.750 3.647 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 31 6.832 3.729 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.330 2.071 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.997 3.013 0.427 1.00 0.00 H new ATOM 0 HG LEU A 31 6.012 0.989 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.545 1.164 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.669 2.697 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.570 2.478 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.360 -0.420 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.521 0.779 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.874 -0.110 -1.111 1.00 0.00 H new ATOM 394 N TRP A 32 7.027 5.990 -1.214 1.00 0.00 N ATOM 395 CA TRP A 32 7.074 7.348 -0.650 1.00 0.00 C ATOM 396 C TRP A 32 5.677 7.981 -0.630 1.00 0.00 C ATOM 397 O TRP A 32 4.789 7.548 -1.368 1.00 0.00 O ATOM 398 CB TRP A 32 8.069 8.235 -1.443 1.00 0.00 C ATOM 399 CG TRP A 32 7.662 8.540 -2.865 1.00 0.00 C ATOM 400 CD1 TRP A 32 7.570 7.656 -3.902 1.00 0.00 C ATOM 401 CD2 TRP A 32 7.298 9.824 -3.401 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.165 8.305 -5.041 1.00 0.00 N ATOM 403 CE2 TRP A 32 6.994 9.635 -4.761 1.00 0.00 C ATOM 404 CE3 TRP A 32 7.198 11.114 -2.862 1.00 0.00 C ATOM 405 CZ2 TRP A 32 6.598 10.684 -5.589 1.00 0.00 C ATOM 406 CZ3 TRP A 32 6.804 12.152 -3.686 1.00 0.00 C ATOM 407 CH2 TRP A 32 6.508 11.931 -5.036 1.00 0.00 C ATOM 0 H TRP A 32 6.318 5.865 -1.936 1.00 0.00 H new ATOM 0 HA TRP A 32 7.426 7.276 0.379 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.198 9.176 -0.909 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.040 7.741 -1.458 1.00 0.00 H new ATOM 0 HD1 TRP A 32 7.785 6.600 -3.835 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.015 7.867 -5.950 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.425 11.294 -1.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.370 10.517 -6.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.723 13.150 -3.281 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.202 12.763 -5.653 1.00 0.00 H new ATOM 418 N GLU A 33 5.502 9.028 0.195 1.00 0.00 N ATOM 419 CA GLU A 33 4.215 9.732 0.324 1.00 0.00 C ATOM 420 C GLU A 33 3.815 10.428 -0.985 1.00 0.00 C ATOM 421 O GLU A 33 4.511 11.334 -1.461 1.00 0.00 O ATOM 422 CB GLU A 33 4.282 10.750 1.465 1.00 0.00 C ATOM 423 CG GLU A 33 4.028 10.144 2.835 1.00 0.00 C ATOM 424 CD GLU A 33 3.955 11.191 3.930 1.00 0.00 C ATOM 425 OE1 GLU A 33 5.014 11.526 4.502 1.00 0.00 O1- ATOM 426 OE2 GLU A 33 2.840 11.675 4.215 1.00 0.00 O ATOM 0 H GLU A 33 6.242 9.407 0.786 1.00 0.00 H new ATOM 0 HA GLU A 33 3.451 8.988 0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.264 11.223 1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.549 11.536 1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.095 9.581 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.822 9.435 3.068 1.00 0.00 H new ATOM 433 N GLY A 34 2.692 9.978 -1.556 1.00 0.00 N ATOM 434 CA GLY A 34 2.191 10.526 -2.808 1.00 0.00 C ATOM 435 C GLY A 34 2.616 9.696 -4.005 1.00 0.00 C ATOM 436 O GLY A 34 2.779 10.227 -5.107 1.00 0.00 O ATOM 0 H GLY A 34 2.116 9.233 -1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.103 10.577 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.554 11.547 -2.928 1.00 0.00 H new ATOM 440 N GLN A 35 2.793 8.389 -3.776 1.00 0.00 N ATOM 441 CA GLN A 35 3.206 7.462 -4.819 1.00 0.00 C ATOM 442 C GLN A 35 2.003 6.642 -5.283 1.00 0.00 C ATOM 443 O GLN A 35 1.394 5.921 -4.484 1.00 0.00 O ATOM 444 CB GLN A 35 4.350 6.563 -4.275 1.00 0.00 C ATOM 445 CG GLN A 35 4.522 5.200 -4.967 1.00 0.00 C ATOM 446 CD GLN A 35 5.841 5.057 -5.706 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.336 5.997 -6.333 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.408 3.861 -5.644 1.00 0.00 N ATOM 0 H GLN A 35 2.653 7.953 -2.865 1.00 0.00 H new ATOM 0 HA GLN A 35 3.586 8.005 -5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.288 7.112 -4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.176 6.390 -3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.446 4.410 -4.220 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.703 5.053 -5.671 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.963 3.112 -5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.290 3.689 -6.127 1.00 0.00 H new ATOM 457 N ASP A 36 1.660 6.761 -6.576 1.00 0.00 N ATOM 458 CA ASP A 36 0.543 6.000 -7.149 1.00 0.00 C ATOM 459 C ASP A 36 0.947 4.533 -7.239 1.00 0.00 C ATOM 460 O ASP A 36 1.809 4.154 -8.041 1.00 0.00 O ATOM 461 CB ASP A 36 0.128 6.544 -8.521 1.00 0.00 C ATOM 462 CG ASP A 36 -0.538 7.904 -8.432 1.00 0.00 C ATOM 463 OD1 ASP A 36 0.188 8.917 -8.355 1.00 0.00 O1- ATOM 464 OD2 ASP A 36 -1.786 7.955 -8.438 1.00 0.00 O ATOM 0 H ASP A 36 2.137 7.373 -7.238 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.327 6.103 -6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.008 6.615 -9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.555 5.839 -8.996 1.00 0.00 H new ATOM 469 N VAL A 37 0.317 3.726 -6.396 1.00 0.00 N ATOM 470 CA VAL A 37 0.627 2.307 -6.297 1.00 0.00 C ATOM 471 C VAL A 37 -0.528 1.413 -6.730 1.00 0.00 C ATOM 472 O VAL A 37 -1.661 1.869 -6.916 1.00 0.00 O ATOM 473 CB VAL A 37 1.008 1.926 -4.836 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.362 2.514 -4.461 1.00 0.00 C ATOM 475 CG2 VAL A 37 -0.079 2.349 -3.829 1.00 0.00 C ATOM 0 H VAL A 37 -0.421 4.036 -5.764 1.00 0.00 H new ATOM 0 HA VAL A 37 1.466 2.142 -6.973 1.00 0.00 H new ATOM 0 HB VAL A 37 1.081 0.839 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.608 2.236 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.126 2.128 -5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.322 3.600 -4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.227 2.064 -2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.217 3.429 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.017 1.853 -4.077 1.00 0.00 H new ATOM 485 N LEU A 38 -0.201 0.133 -6.881 1.00 0.00 N ATOM 486 CA LEU A 38 -1.160 -0.885 -7.243 1.00 0.00 C ATOM 487 C LEU A 38 -1.190 -1.930 -6.147 1.00 0.00 C ATOM 488 O LEU A 38 -0.306 -2.790 -6.044 1.00 0.00 O ATOM 489 CB LEU A 38 -0.802 -1.490 -8.602 1.00 0.00 C ATOM 490 CG LEU A 38 -0.958 -0.537 -9.793 1.00 0.00 C ATOM 491 CD1 LEU A 38 -0.215 -1.071 -11.007 1.00 0.00 C ATOM 492 CD2 LEU A 38 -2.429 -0.321 -10.114 1.00 0.00 C ATOM 0 H LEU A 38 0.747 -0.221 -6.753 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.156 -0.453 -7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.230 -1.840 -8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.430 -2.365 -8.771 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.522 0.425 -9.523 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.338 -0.381 -11.841 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.844 -1.170 -10.771 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.618 -2.046 -11.280 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.521 0.358 -10.962 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.891 -1.276 -10.363 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.931 0.110 -9.248 1.00 0.00 H new ATOM 504 N ALA A 39 -2.222 -1.822 -5.318 1.00 0.00 N ATOM 505 CA ALA A 39 -2.426 -2.710 -4.191 1.00 0.00 C ATOM 506 C ALA A 39 -3.288 -3.901 -4.608 1.00 0.00 C ATOM 507 O ALA A 39 -4.497 -3.764 -4.827 1.00 0.00 O ATOM 508 CB ALA A 39 -3.069 -1.930 -3.052 1.00 0.00 C ATOM 0 H ALA A 39 -2.944 -1.108 -5.414 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.468 -3.101 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.225 -2.592 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.415 -1.109 -2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.028 -1.529 -3.381 1.00 0.00 H new ATOM 514 N ARG A 40 -2.647 -5.065 -4.732 1.00 0.00 N ATOM 515 CA ARG A 40 -3.326 -6.300 -5.133 1.00 0.00 C ATOM 516 C ARG A 40 -4.252 -6.805 -4.025 1.00 0.00 C ATOM 517 O ARG A 40 -3.820 -6.996 -2.884 1.00 0.00 O ATOM 518 CB ARG A 40 -2.292 -7.371 -5.472 1.00 0.00 C ATOM 519 CG ARG A 40 -2.644 -8.202 -6.697 1.00 0.00 C ATOM 520 CD ARG A 40 -1.589 -9.264 -6.972 1.00 0.00 C ATOM 521 NE ARG A 40 -1.793 -10.465 -6.153 1.00 0.00 N ATOM 522 CZ ARG A 40 -1.079 -11.595 -6.267 1.00 0.00 C ATOM 523 NH1 ARG A 40 -0.101 -11.707 -7.165 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 -1.351 -12.622 -5.473 1.00 0.00 N ATOM 0 H ARG A 40 -1.648 -5.179 -4.559 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.933 -6.086 -6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.327 -6.891 -5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.177 -8.035 -4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.612 -8.680 -6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.740 -7.550 -7.565 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.614 -9.536 -8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.600 -8.853 -6.773 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.529 -10.438 -5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.117 -10.925 -7.782 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.430 -12.575 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.098 -12.549 -4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.813 -13.485 -5.553 1.00 0.00 H new ATOM 538 N TRP A 41 -5.527 -7.009 -4.375 1.00 0.00 N ATOM 539 CA TRP A 41 -6.526 -7.486 -3.415 1.00 0.00 C ATOM 540 C TRP A 41 -6.588 -9.025 -3.392 1.00 0.00 C ATOM 541 O TRP A 41 -6.153 -9.688 -4.339 1.00 0.00 O ATOM 542 CB TRP A 41 -7.900 -6.849 -3.715 1.00 0.00 C ATOM 543 CG TRP A 41 -8.901 -6.990 -2.592 1.00 0.00 C ATOM 544 CD1 TRP A 41 -10.110 -7.616 -2.657 1.00 0.00 C ATOM 545 CD2 TRP A 41 -8.779 -6.495 -1.243 1.00 0.00 C ATOM 546 NE1 TRP A 41 -10.747 -7.550 -1.442 1.00 0.00 N ATOM 547 CE2 TRP A 41 -9.952 -6.869 -0.559 1.00 0.00 C ATOM 548 CE3 TRP A 41 -7.796 -5.778 -0.549 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -10.167 -6.552 0.781 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -8.013 -5.465 0.780 1.00 0.00 C ATOM 551 CH2 TRP A 41 -9.190 -5.852 1.433 1.00 0.00 C ATOM 0 H TRP A 41 -5.890 -6.851 -5.315 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.228 -7.173 -2.414 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.759 -5.790 -3.931 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.312 -7.306 -4.615 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.510 -8.096 -3.538 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -11.664 -7.944 -1.231 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.885 -5.475 -1.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.074 -6.849 1.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.262 -4.912 1.324 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -9.329 -5.592 2.472 1.00 0.00 H new ATOM 562 N THR A 42 -7.137 -9.570 -2.293 1.00 0.00 N ATOM 563 CA THR A 42 -7.235 -11.029 -2.072 1.00 0.00 C ATOM 564 C THR A 42 -8.244 -11.748 -2.999 1.00 0.00 C ATOM 565 O THR A 42 -8.291 -12.982 -3.009 1.00 0.00 O ATOM 566 CB THR A 42 -7.556 -11.352 -0.577 1.00 0.00 C ATOM 567 OG1 THR A 42 -7.618 -12.770 -0.373 1.00 0.00 O ATOM 568 CG2 THR A 42 -8.867 -10.713 -0.102 1.00 0.00 C ATOM 0 H THR A 42 -7.526 -9.014 -1.531 1.00 0.00 H new ATOM 0 HA THR A 42 -6.251 -11.421 -2.331 1.00 0.00 H new ATOM 0 HB THR A 42 -6.746 -10.924 0.013 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.753 -13.219 -1.234 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.040 -10.971 0.943 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.801 -9.630 -0.203 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.693 -11.084 -0.708 1.00 0.00 H new ATOM 576 N ASP A 43 -9.035 -10.987 -3.763 1.00 0.00 N ATOM 577 CA ASP A 43 -10.024 -11.578 -4.677 1.00 0.00 C ATOM 578 C ASP A 43 -9.444 -11.762 -6.085 1.00 0.00 C ATOM 579 O ASP A 43 -10.132 -12.249 -6.990 1.00 0.00 O ATOM 580 CB ASP A 43 -11.290 -10.714 -4.740 1.00 0.00 C ATOM 581 CG ASP A 43 -12.088 -10.744 -3.448 1.00 0.00 C ATOM 582 OD1 ASP A 43 -12.531 -11.843 -3.047 1.00 0.00 O1- ATOM 583 OD2 ASP A 43 -12.275 -9.670 -2.839 1.00 0.00 O ATOM 0 H ASP A 43 -9.012 -9.967 -3.769 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.286 -12.561 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.011 -9.685 -4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.920 -11.060 -5.559 1.00 0.00 H new ATOM 588 N GLY A 44 -8.170 -11.382 -6.251 1.00 0.00 N ATOM 589 CA GLY A 44 -7.506 -11.495 -7.542 1.00 0.00 C ATOM 590 C GLY A 44 -7.549 -10.200 -8.338 1.00 0.00 C ATOM 591 O GLY A 44 -6.884 -10.081 -9.371 1.00 0.00 O ATOM 0 H GLY A 44 -7.587 -10.997 -5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.467 -11.788 -7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.978 -12.289 -8.121 1.00 0.00 H new ATOM 595 N LEU A 45 -8.337 -9.234 -7.848 1.00 0.00 N ATOM 596 CA LEU A 45 -8.485 -7.933 -8.496 1.00 0.00 C ATOM 597 C LEU A 45 -7.496 -6.918 -7.930 1.00 0.00 C ATOM 598 O LEU A 45 -7.239 -6.895 -6.723 1.00 0.00 O ATOM 599 CB LEU A 45 -9.914 -7.415 -8.318 1.00 0.00 C ATOM 600 CG LEU A 45 -10.978 -8.163 -9.122 1.00 0.00 C ATOM 601 CD1 LEU A 45 -12.115 -8.607 -8.216 1.00 0.00 C ATOM 602 CD2 LEU A 45 -11.501 -7.290 -10.249 1.00 0.00 C ATOM 0 H LEU A 45 -8.886 -9.336 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.275 -8.062 -9.558 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.175 -7.469 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.941 -6.362 -8.600 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.522 -9.051 -9.559 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.863 -9.138 -8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.726 -9.269 -7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.572 -7.734 -7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.257 -7.837 -10.812 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.942 -6.384 -9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.679 -7.021 -10.912 1.00 0.00 H new ATOM 614 N LEU A 46 -6.946 -6.088 -8.822 1.00 0.00 N ATOM 615 CA LEU A 46 -5.985 -5.048 -8.455 1.00 0.00 C ATOM 616 C LEU A 46 -6.706 -3.773 -7.990 1.00 0.00 C ATOM 617 O LEU A 46 -7.876 -3.559 -8.323 1.00 0.00 O ATOM 618 CB LEU A 46 -5.091 -4.746 -9.666 1.00 0.00 C ATOM 619 CG LEU A 46 -3.918 -3.792 -9.439 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.784 -4.463 -8.678 1.00 0.00 C ATOM 621 CD2 LEU A 46 -3.432 -3.295 -10.776 1.00 0.00 C ATOM 0 H LEU A 46 -7.156 -6.120 -9.820 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.373 -5.403 -7.626 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.693 -5.690 -10.038 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.718 -4.331 -10.455 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.260 -2.956 -8.830 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.970 -3.752 -8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.146 -4.798 -7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.423 -5.321 -9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.595 -2.613 -10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.108 -4.141 -11.383 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.241 -2.771 -11.285 1.00 0.00 H new ATOM 633 N TYR A 47 -5.979 -2.927 -7.249 1.00 0.00 N ATOM 634 CA TYR A 47 -6.518 -1.677 -6.708 1.00 0.00 C ATOM 635 C TYR A 47 -5.503 -0.553 -6.906 1.00 0.00 C ATOM 636 O TYR A 47 -4.312 -0.750 -6.654 1.00 0.00 O ATOM 637 CB TYR A 47 -6.810 -1.807 -5.194 1.00 0.00 C ATOM 638 CG TYR A 47 -8.013 -2.655 -4.754 1.00 0.00 C ATOM 639 CD1 TYR A 47 -8.921 -3.227 -5.649 1.00 0.00 C ATOM 640 CD2 TYR A 47 -8.236 -2.866 -3.396 1.00 0.00 C ATOM 641 CE1 TYR A 47 -9.997 -3.970 -5.205 1.00 0.00 C ATOM 642 CE2 TYR A 47 -9.310 -3.611 -2.948 1.00 0.00 C ATOM 643 CZ TYR A 47 -10.186 -4.160 -3.855 1.00 0.00 C ATOM 644 OH TYR A 47 -11.259 -4.900 -3.412 1.00 0.00 O ATOM 0 H TYR A 47 -5.001 -3.092 -7.009 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.446 -1.455 -7.235 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.920 -2.220 -4.718 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.948 -0.802 -4.795 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.778 -3.085 -6.710 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.554 -2.438 -2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.688 -4.401 -5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.461 -3.762 -1.889 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.954 -5.794 -3.152 1.00 0.00 H new ATOM 654 N LEU A 48 -5.968 0.617 -7.359 1.00 0.00 N ATOM 655 CA LEU A 48 -5.083 1.769 -7.551 1.00 0.00 C ATOM 656 C LEU A 48 -5.137 2.674 -6.329 1.00 0.00 C ATOM 657 O LEU A 48 -6.206 2.873 -5.743 1.00 0.00 O ATOM 658 CB LEU A 48 -5.454 2.556 -8.822 1.00 0.00 C ATOM 659 CG LEU A 48 -4.642 3.846 -9.083 1.00 0.00 C ATOM 660 CD1 LEU A 48 -3.281 3.532 -9.689 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.418 4.794 -9.982 1.00 0.00 C ATOM 0 H LEU A 48 -6.945 0.790 -7.598 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.065 1.400 -7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.336 1.896 -9.681 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.510 2.820 -8.766 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.476 4.333 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.736 4.460 -9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.715 2.900 -9.005 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.416 3.011 -10.637 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.830 5.696 -10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.622 4.306 -10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.360 5.061 -9.503 1.00 0.00 H new ATOM 673 N GLY A 49 -3.980 3.222 -5.965 1.00 0.00 N ATOM 674 CA GLY A 49 -3.910 4.099 -4.807 1.00 0.00 C ATOM 675 C GLY A 49 -2.702 5.013 -4.797 1.00 0.00 C ATOM 676 O GLY A 49 -1.895 5.001 -5.725 1.00 0.00 O ATOM 0 H GLY A 49 -3.094 3.076 -6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.813 4.708 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.899 3.490 -3.903 1.00 0.00 H new ATOM 680 N THR A 50 -2.616 5.829 -3.744 1.00 0.00 N ATOM 681 CA THR A 50 -1.505 6.757 -3.538 1.00 0.00 C ATOM 682 C THR A 50 -1.028 6.632 -2.101 1.00 0.00 C ATOM 683 O THR A 50 -1.831 6.677 -1.167 1.00 0.00 O ATOM 684 CB THR A 50 -1.870 8.227 -3.841 1.00 0.00 C ATOM 685 OG1 THR A 50 -3.139 8.309 -4.507 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.795 8.870 -4.711 1.00 0.00 C ATOM 0 H THR A 50 -3.320 5.864 -3.007 1.00 0.00 H new ATOM 0 HA THR A 50 -0.717 6.486 -4.241 1.00 0.00 H new ATOM 0 HB THR A 50 -1.935 8.762 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.353 9.248 -4.689 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.065 9.906 -4.917 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.161 8.841 -4.189 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.712 8.323 -5.650 1.00 0.00 H new ATOM 694 N ILE A 51 0.286 6.487 -1.938 1.00 0.00 N ATOM 695 CA ILE A 51 0.915 6.290 -0.624 1.00 0.00 C ATOM 696 C ILE A 51 0.715 7.466 0.337 1.00 0.00 C ATOM 697 O ILE A 51 1.149 8.589 0.077 1.00 0.00 O ATOM 698 CB ILE A 51 2.432 5.957 -0.787 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.607 4.714 -1.693 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.136 5.742 0.565 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.061 3.421 -1.102 1.00 0.00 C ATOM 0 H ILE A 51 0.950 6.502 -2.712 1.00 0.00 H new ATOM 0 HA ILE A 51 0.406 5.441 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 51 2.906 6.819 -1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.111 4.901 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.668 4.582 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.188 5.513 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.054 6.648 1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.665 4.912 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.226 2.603 -1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.573 3.205 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.993 3.529 -0.915 1.00 0.00 H new ATOM 713 N LYS A 52 0.040 7.163 1.446 1.00 0.00 N ATOM 714 CA LYS A 52 -0.219 8.134 2.505 1.00 0.00 C ATOM 715 C LYS A 52 0.792 7.963 3.643 1.00 0.00 C ATOM 716 O LYS A 52 1.083 8.917 4.370 1.00 0.00 O ATOM 717 CB LYS A 52 -1.643 7.969 3.041 1.00 0.00 C ATOM 718 CG LYS A 52 -2.349 9.288 3.316 1.00 0.00 C ATOM 719 CD LYS A 52 -3.699 9.071 3.986 1.00 0.00 C ATOM 720 CE LYS A 52 -3.662 9.452 5.458 1.00 0.00 C ATOM 721 NZ LYS A 52 -4.837 8.920 6.201 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.342 6.236 1.634 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.114 9.136 2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.229 7.397 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.610 7.386 3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.722 9.911 3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.489 9.829 2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.458 9.663 3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.991 8.025 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.745 9.071 5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.635 10.538 5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.874 9.351 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.709 9.148 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.750 7.888 6.295 1.00 0.00 H new ATOM 735 N LYS A 53 1.322 6.732 3.784 1.00 0.00 N ATOM 736 CA LYS A 53 2.310 6.406 4.821 1.00 0.00 C ATOM 737 C LYS A 53 3.276 5.333 4.319 1.00 0.00 C ATOM 738 O LYS A 53 2.958 4.589 3.386 1.00 0.00 O ATOM 739 CB LYS A 53 1.618 5.930 6.112 1.00 0.00 C ATOM 740 CG LYS A 53 2.046 6.692 7.366 1.00 0.00 C ATOM 741 CD LYS A 53 1.231 7.968 7.575 1.00 0.00 C ATOM 742 CE LYS A 53 2.119 9.201 7.563 1.00 0.00 C ATOM 743 NZ LYS A 53 1.327 10.460 7.616 1.00 0.00 N1+ ATOM 0 H LYS A 53 1.077 5.944 3.185 1.00 0.00 H new ATOM 0 HA LYS A 53 2.873 7.312 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.539 6.028 5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.828 4.870 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.935 6.046 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.103 6.947 7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.478 8.053 6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.699 7.910 8.524 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.800 9.165 8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.733 9.197 6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.971 11.276 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.695 10.508 6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.760 10.477 8.488 1.00 0.00 H new ATOM 757 N VAL A 54 4.451 5.253 4.954 1.00 0.00 N ATOM 758 CA VAL A 54 5.484 4.283 4.569 1.00 0.00 C ATOM 759 C VAL A 54 6.116 3.630 5.804 1.00 0.00 C ATOM 760 O VAL A 54 6.456 4.307 6.778 1.00 0.00 O ATOM 761 CB VAL A 54 6.600 4.937 3.685 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.757 3.972 3.422 1.00 0.00 C ATOM 763 CG2 VAL A 54 6.036 5.416 2.352 1.00 0.00 C ATOM 0 H VAL A 54 4.711 5.850 5.739 1.00 0.00 H new ATOM 0 HA VAL A 54 4.988 3.515 3.976 1.00 0.00 H new ATOM 0 HB VAL A 54 6.979 5.791 4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.509 4.465 2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.204 3.673 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.384 3.089 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.833 5.865 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.614 4.569 1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.256 6.156 2.532 1.00 0.00 H new ATOM 773 N ASP A 55 6.258 2.306 5.727 1.00 0.00 N ATOM 774 CA ASP A 55 6.866 1.504 6.784 1.00 0.00 C ATOM 775 C ASP A 55 8.042 0.702 6.206 1.00 0.00 C ATOM 776 O ASP A 55 7.910 -0.483 5.875 1.00 0.00 O ATOM 777 CB ASP A 55 5.819 0.578 7.424 1.00 0.00 C ATOM 778 CG ASP A 55 5.126 1.221 8.609 1.00 0.00 C ATOM 779 OD1 ASP A 55 5.737 1.272 9.697 1.00 0.00 O1- ATOM 780 OD2 ASP A 55 3.972 1.671 8.451 1.00 0.00 O ATOM 0 H ASP A 55 5.951 1.758 4.923 1.00 0.00 H new ATOM 0 HA ASP A 55 7.246 2.161 7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.075 0.304 6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.302 -0.345 7.746 1.00 0.00 H new ATOM 785 N SER A 56 9.197 1.376 6.073 1.00 0.00 N ATOM 786 CA SER A 56 10.420 0.768 5.519 1.00 0.00 C ATOM 787 C SER A 56 11.093 -0.214 6.491 1.00 0.00 C ATOM 788 O SER A 56 12.042 -0.911 6.115 1.00 0.00 O ATOM 789 CB SER A 56 11.410 1.867 5.125 1.00 0.00 C ATOM 790 OG SER A 56 12.314 1.410 4.134 1.00 0.00 O ATOM 0 H SER A 56 9.310 2.353 6.345 1.00 0.00 H new ATOM 0 HA SER A 56 10.122 0.194 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.865 2.734 4.752 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.965 2.193 6.005 1.00 0.00 H new ATOM 0 HG SER A 56 12.588 0.492 4.340 1.00 0.00 H new ATOM 796 N ALA A 57 10.592 -0.269 7.732 1.00 0.00 N ATOM 797 CA ALA A 57 11.136 -1.164 8.759 1.00 0.00 C ATOM 798 C ALA A 57 10.476 -2.545 8.708 1.00 0.00 C ATOM 799 O ALA A 57 11.136 -3.563 8.942 1.00 0.00 O ATOM 800 CB ALA A 57 10.964 -0.547 10.137 1.00 0.00 C ATOM 0 H ALA A 57 9.807 0.299 8.049 1.00 0.00 H new ATOM 0 HA ALA A 57 12.199 -1.297 8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.372 -1.221 10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.492 0.405 10.178 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.904 -0.383 10.332 1.00 0.00 H new ATOM 806 N ARG A 58 9.174 -2.564 8.402 1.00 0.00 N ATOM 807 CA ARG A 58 8.405 -3.808 8.314 1.00 0.00 C ATOM 808 C ARG A 58 8.053 -4.152 6.856 1.00 0.00 C ATOM 809 O ARG A 58 7.314 -5.109 6.598 1.00 0.00 O ATOM 810 CB ARG A 58 7.127 -3.681 9.157 1.00 0.00 C ATOM 811 CG ARG A 58 6.711 -4.968 9.864 1.00 0.00 C ATOM 812 CD ARG A 58 6.888 -4.856 11.372 1.00 0.00 C ATOM 813 NE ARG A 58 6.432 -6.063 12.074 1.00 0.00 N ATOM 814 CZ ARG A 58 5.233 -6.198 12.661 1.00 0.00 C ATOM 815 NH1 ARG A 58 4.336 -5.214 12.634 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 4.931 -7.334 13.276 1.00 0.00 N ATOM 0 H ARG A 58 8.628 -1.724 8.210 1.00 0.00 H new ATOM 0 HA ARG A 58 9.019 -4.620 8.702 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.274 -2.901 9.904 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.311 -3.354 8.512 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.669 -5.191 9.634 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.305 -5.800 9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.939 -4.680 11.601 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.333 -3.993 11.738 1.00 0.00 H new ATOM 0 HE ARG A 58 7.073 -6.855 12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.555 -4.337 12.161 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.430 -5.337 13.086 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.608 -8.097 13.300 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.022 -7.445 13.725 1.00 0.00 H new ATOM 830 N GLU A 59 8.604 -3.371 5.896 1.00 0.00 N ATOM 831 CA GLU A 59 8.360 -3.558 4.442 1.00 0.00 C ATOM 832 C GLU A 59 6.866 -3.428 4.100 1.00 0.00 C ATOM 833 O GLU A 59 6.307 -4.214 3.325 1.00 0.00 O ATOM 834 CB GLU A 59 8.929 -4.907 3.948 1.00 0.00 C ATOM 835 CG GLU A 59 10.443 -4.908 3.783 1.00 0.00 C ATOM 836 CD GLU A 59 10.880 -4.460 2.400 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.673 -5.225 1.435 1.00 0.00 O ATOM 838 OE2 GLU A 59 11.428 -3.344 2.283 1.00 0.00 O1- ATOM 0 H GLU A 59 9.230 -2.594 6.106 1.00 0.00 H new ATOM 0 HA GLU A 59 8.888 -2.761 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.648 -5.690 4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.468 -5.158 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.887 -4.251 4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.825 -5.911 3.973 1.00 0.00 H new ATOM 845 N VAL A 60 6.236 -2.407 4.693 1.00 0.00 N ATOM 846 CA VAL A 60 4.809 -2.127 4.491 1.00 0.00 C ATOM 847 C VAL A 60 4.603 -0.632 4.198 1.00 0.00 C ATOM 848 O VAL A 60 5.504 0.176 4.426 1.00 0.00 O ATOM 849 CB VAL A 60 3.952 -2.535 5.736 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.477 -2.700 5.381 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.467 -3.810 6.400 1.00 0.00 C ATOM 0 H VAL A 60 6.699 -1.753 5.324 1.00 0.00 H new ATOM 0 HA VAL A 60 4.476 -2.723 3.641 1.00 0.00 H new ATOM 0 HB VAL A 60 4.050 -1.716 6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.918 -2.983 6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.089 -1.758 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.370 -3.476 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.840 -4.052 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.435 -4.631 5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.494 -3.658 6.732 1.00 0.00 H new ATOM 861 N CYS A 61 3.420 -0.282 3.664 1.00 0.00 N ATOM 862 CA CYS A 61 3.068 1.110 3.348 1.00 0.00 C ATOM 863 C CYS A 61 1.561 1.293 3.333 1.00 0.00 C ATOM 864 O CYS A 61 0.822 0.392 2.924 1.00 0.00 O ATOM 865 CB CYS A 61 3.633 1.543 1.992 1.00 0.00 C ATOM 866 SG CYS A 61 5.341 2.119 2.075 1.00 0.00 S ATOM 0 H CYS A 61 2.685 -0.954 3.441 1.00 0.00 H new ATOM 0 HA CYS A 61 3.508 1.732 4.127 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.574 0.704 1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.009 2.338 1.584 1.00 0.00 H new ATOM 0 HG CYS A 61 6.135 1.189 1.634 1.00 0.00 H new ATOM 872 N LEU A 62 1.115 2.468 3.782 1.00 0.00 N ATOM 873 CA LEU A 62 -0.303 2.804 3.796 1.00 0.00 C ATOM 874 C LEU A 62 -0.619 3.642 2.576 1.00 0.00 C ATOM 875 O LEU A 62 0.123 4.573 2.252 1.00 0.00 O ATOM 876 CB LEU A 62 -0.700 3.570 5.067 1.00 0.00 C ATOM 877 CG LEU A 62 -2.033 3.162 5.746 1.00 0.00 C ATOM 878 CD1 LEU A 62 -3.189 3.069 4.741 1.00 0.00 C ATOM 879 CD2 LEU A 62 -1.879 1.851 6.509 1.00 0.00 C ATOM 0 H LEU A 62 1.723 3.204 4.142 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.874 1.876 3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.101 3.454 5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.756 4.630 4.820 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.282 3.950 6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.102 2.780 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.335 4.038 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.953 2.323 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.828 1.588 6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.583 1.061 5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.116 1.966 7.279 1.00 0.00 H new ATOM 891 N VAL A 63 -1.713 3.306 1.903 1.00 0.00 N ATOM 892 CA VAL A 63 -2.100 4.008 0.686 1.00 0.00 C ATOM 893 C VAL A 63 -3.595 4.322 0.665 1.00 0.00 C ATOM 894 O VAL A 63 -4.420 3.535 1.144 1.00 0.00 O ATOM 895 CB VAL A 63 -1.668 3.206 -0.599 1.00 0.00 C ATOM 896 CG1 VAL A 63 -1.018 1.872 -0.250 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.818 2.978 -1.566 1.00 0.00 C ATOM 0 H VAL A 63 -2.346 2.555 2.178 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.568 4.960 0.679 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.931 3.835 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.736 1.354 -1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.129 2.048 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.723 1.259 0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.460 2.421 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.604 2.410 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.215 3.939 -1.892 1.00 0.00 H new ATOM 907 N GLN A 64 -3.917 5.491 0.099 1.00 0.00 N ATOM 908 CA GLN A 64 -5.299 5.937 -0.059 1.00 0.00 C ATOM 909 C GLN A 64 -5.759 5.549 -1.464 1.00 0.00 C ATOM 910 O GLN A 64 -4.990 5.662 -2.422 1.00 0.00 O ATOM 911 CB GLN A 64 -5.420 7.453 0.153 1.00 0.00 C ATOM 912 CG GLN A 64 -6.833 7.924 0.512 1.00 0.00 C ATOM 913 CD GLN A 64 -6.884 8.703 1.815 1.00 0.00 C ATOM 914 OE1 GLN A 64 -6.188 9.707 1.985 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.716 8.246 2.742 1.00 0.00 N ATOM 0 H GLN A 64 -3.226 6.150 -0.260 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.930 5.460 0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.736 7.754 0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.099 7.963 -0.755 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.218 8.549 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.491 7.058 0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.274 7.412 2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.798 8.729 3.637 1.00 0.00 H new ATOM 924 N PHE A 65 -7.004 5.107 -1.582 1.00 0.00 N ATOM 925 CA PHE A 65 -7.531 4.647 -2.860 1.00 0.00 C ATOM 926 C PHE A 65 -8.550 5.610 -3.468 1.00 0.00 C ATOM 927 O PHE A 65 -9.075 6.490 -2.781 1.00 0.00 O ATOM 928 CB PHE A 65 -8.110 3.245 -2.655 1.00 0.00 C ATOM 929 CG PHE A 65 -7.053 2.241 -2.257 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.566 2.180 -0.957 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.533 1.380 -3.193 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.585 1.274 -0.613 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.554 0.471 -2.856 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.080 0.418 -1.566 1.00 0.00 C ATOM 0 H PHE A 65 -7.667 5.057 -0.809 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.720 4.611 -3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.881 3.282 -1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.593 2.916 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.960 2.850 -0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.897 1.416 -4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.214 1.236 0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.159 -0.200 -3.605 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.313 -0.294 -1.301 1.00 0.00 H new ATOM 944 N GLU A 66 -8.813 5.422 -4.781 1.00 0.00 N ATOM 945 CA GLU A 66 -9.747 6.262 -5.556 1.00 0.00 C ATOM 946 C GLU A 66 -11.129 6.374 -4.906 1.00 0.00 C ATOM 947 O GLU A 66 -11.708 7.464 -4.874 1.00 0.00 O ATOM 948 CB GLU A 66 -9.907 5.714 -6.973 1.00 0.00 C ATOM 949 CG GLU A 66 -9.973 6.801 -8.043 1.00 0.00 C ATOM 950 CD GLU A 66 -8.607 7.225 -8.564 1.00 0.00 C ATOM 951 OE1 GLU A 66 -7.745 6.345 -8.782 1.00 0.00 O ATOM 952 OE2 GLU A 66 -8.404 8.442 -8.765 1.00 0.00 O1- ATOM 0 H GLU A 66 -8.381 4.681 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.310 7.260 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.072 5.049 -7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.815 5.113 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.576 6.442 -8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.483 7.673 -7.633 1.00 0.00 H new ATOM 959 N ASP A 67 -11.653 5.248 -4.391 1.00 0.00 N ATOM 960 CA ASP A 67 -12.968 5.246 -3.756 1.00 0.00 C ATOM 961 C ASP A 67 -12.872 5.600 -2.248 1.00 0.00 C ATOM 962 O ASP A 67 -13.643 5.101 -1.419 1.00 0.00 O ATOM 963 CB ASP A 67 -13.642 3.887 -4.024 1.00 0.00 C ATOM 964 CG ASP A 67 -15.103 3.829 -3.601 1.00 0.00 C ATOM 965 OD1 ASP A 67 -15.938 4.491 -4.254 1.00 0.00 O1- ATOM 966 OD2 ASP A 67 -15.409 3.122 -2.618 1.00 0.00 O ATOM 0 H ASP A 67 -11.187 4.341 -4.405 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.595 6.025 -4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.573 3.662 -5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.090 3.109 -3.497 1.00 0.00 H new ATOM 971 N ASP A 68 -11.904 6.494 -1.913 1.00 0.00 N ATOM 972 CA ASP A 68 -11.668 6.997 -0.536 1.00 0.00 C ATOM 973 C ASP A 68 -11.533 5.875 0.512 1.00 0.00 C ATOM 974 O ASP A 68 -12.300 5.812 1.482 1.00 0.00 O ATOM 975 CB ASP A 68 -12.766 7.997 -0.125 1.00 0.00 C ATOM 976 CG ASP A 68 -12.364 9.437 -0.382 1.00 0.00 C ATOM 977 OD1 ASP A 68 -12.263 9.822 -1.566 1.00 0.00 O1- ATOM 978 OD2 ASP A 68 -12.152 10.179 0.599 1.00 0.00 O ATOM 0 H ASP A 68 -11.260 6.888 -2.599 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.706 7.510 -0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.680 7.774 -0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.992 7.869 0.934 1.00 0.00 H new ATOM 983 N SER A 69 -10.555 4.991 0.302 1.00 0.00 N ATOM 984 CA SER A 69 -10.314 3.884 1.225 1.00 0.00 C ATOM 985 C SER A 69 -8.870 3.860 1.702 1.00 0.00 C ATOM 986 O SER A 69 -7.942 3.955 0.899 1.00 0.00 O ATOM 987 CB SER A 69 -10.651 2.543 0.566 1.00 0.00 C ATOM 988 OG SER A 69 -11.148 1.619 1.519 1.00 0.00 O ATOM 0 H SER A 69 -9.921 5.021 -0.496 1.00 0.00 H new ATOM 0 HA SER A 69 -10.964 4.038 2.086 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.392 2.695 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.760 2.135 0.088 1.00 0.00 H new ATOM 0 HG SER A 69 -11.357 0.771 1.074 1.00 0.00 H new ATOM 994 N GLN A 70 -8.698 3.756 3.023 1.00 0.00 N ATOM 995 CA GLN A 70 -7.372 3.663 3.627 1.00 0.00 C ATOM 996 C GLN A 70 -7.090 2.194 3.916 1.00 0.00 C ATOM 997 O GLN A 70 -7.513 1.647 4.943 1.00 0.00 O ATOM 998 CB GLN A 70 -7.277 4.515 4.900 1.00 0.00 C ATOM 999 CG GLN A 70 -6.655 5.887 4.670 1.00 0.00 C ATOM 1000 CD GLN A 70 -5.138 5.859 4.677 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.510 5.861 5.736 1.00 0.00 O ATOM 1002 NE2 GLN A 70 -4.541 5.833 3.490 1.00 0.00 N ATOM 0 H GLN A 70 -9.466 3.734 3.694 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.622 4.055 2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.276 4.643 5.317 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.688 3.978 5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.001 6.281 3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.004 6.572 5.443 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.101 5.832 2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.523 5.814 3.432 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.383 1.561 2.982 1.00 0.00 N ATOM 1012 CA PHE A 71 -6.082 0.141 3.070 1.00 0.00 C ATOM 1013 C PHE A 71 -4.579 -0.109 3.171 1.00 0.00 C ATOM 1014 O PHE A 71 -3.801 0.334 2.321 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.687 -0.558 1.834 1.00 0.00 C ATOM 1016 CG PHE A 71 -8.070 -1.170 2.008 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.879 -0.906 3.117 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.565 -2.013 1.026 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -10.134 -1.475 3.231 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.819 -2.582 1.139 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.603 -2.315 2.242 1.00 0.00 C ATOM 0 H PHE A 71 -6.007 2.017 2.151 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.522 -0.270 3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.735 0.167 1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.003 -1.346 1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.519 -0.249 3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.960 -2.229 0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.747 -1.262 4.094 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -10.186 -3.237 0.362 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.582 -2.762 2.331 1.00 0.00 H new ATOM 1031 N LEU A 72 -4.192 -0.828 4.238 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.794 -1.174 4.519 1.00 0.00 C ATOM 1033 C LEU A 72 -2.298 -2.251 3.542 1.00 0.00 C ATOM 1034 O LEU A 72 -2.871 -3.344 3.468 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.687 -1.668 5.972 1.00 0.00 C ATOM 1036 CG LEU A 72 -1.268 -1.910 6.502 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -1.092 -1.273 7.870 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -0.981 -3.401 6.569 1.00 0.00 C ATOM 0 H LEU A 72 -4.847 -1.187 4.933 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.166 -0.293 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.175 -0.938 6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.249 -2.598 6.060 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.558 -1.448 5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.079 -1.456 8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.262 -0.199 7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.808 -1.707 8.568 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.029 -3.561 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.698 -3.880 7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.068 -3.833 5.572 1.00 0.00 H new ATOM 1050 N VAL A 73 -1.238 -1.925 2.799 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.665 -2.856 1.814 1.00 0.00 C ATOM 1052 C VAL A 73 0.826 -3.067 2.038 1.00 0.00 C ATOM 1053 O VAL A 73 1.529 -2.175 2.523 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.874 -2.392 0.345 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -1.081 -3.593 -0.575 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -2.036 -1.407 0.219 1.00 0.00 C ATOM 0 H VAL A 73 -0.758 -1.027 2.857 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.203 -3.792 1.966 1.00 0.00 H new ATOM 0 HB VAL A 73 0.031 -1.868 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.225 -3.247 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.205 -4.240 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.961 -4.151 -0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.148 -1.108 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.955 -1.883 0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.835 -0.527 0.830 1.00 0.00 H new ATOM 1066 N LEU A 74 1.289 -4.265 1.664 1.00 0.00 N ATOM 1067 CA LEU A 74 2.693 -4.638 1.787 1.00 0.00 C ATOM 1068 C LEU A 74 3.428 -4.410 0.480 1.00 0.00 C ATOM 1069 O LEU A 74 2.832 -4.474 -0.598 1.00 0.00 O ATOM 1070 CB LEU A 74 2.828 -6.107 2.196 1.00 0.00 C ATOM 1071 CG LEU A 74 3.467 -6.345 3.566 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.412 -6.276 4.653 1.00 0.00 C ATOM 1073 CD2 LEU A 74 4.187 -7.685 3.601 1.00 0.00 C ATOM 0 H LEU A 74 0.699 -4.998 1.269 1.00 0.00 H new ATOM 0 HA LEU A 74 3.137 -4.009 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.837 -6.562 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.420 -6.625 1.442 1.00 0.00 H new ATOM 0 HG LEU A 74 4.204 -5.562 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.878 -6.447 5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.944 -5.292 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.655 -7.040 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.633 -7.833 4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.475 -8.486 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.969 -7.698 2.842 1.00 0.00 H new ATOM 1085 N TRP A 75 4.740 -4.171 0.588 1.00 0.00 N ATOM 1086 CA TRP A 75 5.606 -3.931 -0.579 1.00 0.00 C ATOM 1087 C TRP A 75 5.612 -5.126 -1.550 1.00 0.00 C ATOM 1088 O TRP A 75 6.064 -4.996 -2.692 1.00 0.00 O ATOM 1089 CB TRP A 75 7.042 -3.606 -0.128 1.00 0.00 C ATOM 1090 CG TRP A 75 7.195 -2.324 0.672 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.230 -1.666 1.396 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.400 -1.556 0.839 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.758 -0.546 1.981 1.00 0.00 N ATOM 1094 CE2 TRP A 75 8.084 -0.456 1.659 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.717 -1.689 0.373 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 9.030 0.498 2.023 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.652 -0.739 0.738 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.305 0.342 1.557 1.00 0.00 C ATOM 0 H TRP A 75 5.232 -4.138 1.481 1.00 0.00 H new ATOM 0 HA TRP A 75 5.196 -3.074 -1.114 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.414 -4.436 0.472 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.677 -3.542 -1.011 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.203 -1.986 1.490 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.244 0.115 2.564 1.00 0.00 H new ATOM 0 HE3 TRP A 75 9.995 -2.519 -0.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.765 1.334 2.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.668 -0.832 0.385 1.00 0.00 H new ATOM 0 HH2 TRP A 75 11.059 1.067 1.826 1.00 0.00 H new ATOM 1109 N LYS A 76 5.106 -6.286 -1.084 1.00 0.00 N ATOM 1110 CA LYS A 76 5.035 -7.500 -1.916 1.00 0.00 C ATOM 1111 C LYS A 76 3.766 -7.508 -2.790 1.00 0.00 C ATOM 1112 O LYS A 76 3.778 -8.036 -3.907 1.00 0.00 O ATOM 1113 CB LYS A 76 5.103 -8.779 -1.046 1.00 0.00 C ATOM 1114 CG LYS A 76 4.048 -8.874 0.061 1.00 0.00 C ATOM 1115 CD LYS A 76 3.510 -10.289 0.212 1.00 0.00 C ATOM 1116 CE LYS A 76 2.239 -10.311 1.048 1.00 0.00 C ATOM 1117 NZ LYS A 76 2.187 -11.494 1.951 1.00 0.00 N1+ ATOM 0 H LYS A 76 4.742 -6.405 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 76 5.901 -7.491 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.002 -9.647 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.091 -8.836 -0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.483 -8.548 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.225 -8.195 -0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.307 -10.710 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.266 -10.920 0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.179 -9.399 1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.371 -10.320 0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.306 -11.471 2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.218 -12.365 1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.001 -11.473 2.598 1.00 0.00 H new ATOM 1131 N ASP A 77 2.684 -6.917 -2.263 1.00 0.00 N ATOM 1132 CA ASP A 77 1.400 -6.838 -2.970 1.00 0.00 C ATOM 1133 C ASP A 77 1.237 -5.501 -3.705 1.00 0.00 C ATOM 1134 O ASP A 77 0.206 -5.258 -4.344 1.00 0.00 O ATOM 1135 CB ASP A 77 0.248 -7.022 -1.976 1.00 0.00 C ATOM 1136 CG ASP A 77 -0.292 -8.439 -1.969 1.00 0.00 C ATOM 1137 OD1 ASP A 77 0.344 -9.313 -1.345 1.00 0.00 O1- ATOM 1138 OD2 ASP A 77 -1.352 -8.672 -2.587 1.00 0.00 O ATOM 0 H ASP A 77 2.675 -6.483 -1.340 1.00 0.00 H new ATOM 0 HA ASP A 77 1.381 -7.635 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.591 -6.763 -0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.557 -6.331 -2.226 1.00 0.00 H new ATOM 1143 N ILE A 78 2.263 -4.649 -3.625 1.00 0.00 N ATOM 1144 CA ILE A 78 2.228 -3.330 -4.259 1.00 0.00 C ATOM 1145 C ILE A 78 3.012 -3.315 -5.578 1.00 0.00 C ATOM 1146 O ILE A 78 4.087 -3.912 -5.687 1.00 0.00 O ATOM 1147 CB ILE A 78 2.756 -2.229 -3.288 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.794 -2.099 -2.093 1.00 0.00 C ATOM 1149 CG2 ILE A 78 2.908 -0.878 -3.998 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.395 -1.445 -0.869 1.00 0.00 C ATOM 0 H ILE A 78 3.129 -4.851 -3.126 1.00 0.00 H new ATOM 0 HA ILE A 78 1.187 -3.109 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 78 3.744 -2.526 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.923 -1.523 -2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.438 -3.092 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.278 -0.135 -3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.614 -0.978 -4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.940 -0.560 -4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.646 -1.396 -0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.248 -2.030 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.725 -0.437 -1.120 1.00 0.00 H new ATOM 1162 N SER A 79 2.439 -2.620 -6.568 1.00 0.00 N ATOM 1163 CA SER A 79 3.040 -2.465 -7.891 1.00 0.00 C ATOM 1164 C SER A 79 2.991 -0.984 -8.311 1.00 0.00 C ATOM 1165 O SER A 79 1.905 -0.467 -8.587 1.00 0.00 O ATOM 1166 CB SER A 79 2.305 -3.336 -8.922 1.00 0.00 C ATOM 1167 OG SER A 79 3.219 -4.112 -9.678 1.00 0.00 O ATOM 0 H SER A 79 1.540 -2.148 -6.469 1.00 0.00 H new ATOM 0 HA SER A 79 4.079 -2.791 -7.848 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.601 -3.993 -8.412 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.723 -2.701 -9.590 1.00 0.00 H new ATOM 0 HG SER A 79 2.727 -4.659 -10.326 1.00 0.00 H new ATOM 1173 N PRO A 80 4.152 -0.251 -8.350 1.00 0.00 N ATOM 1174 CA PRO A 80 4.177 1.180 -8.745 1.00 0.00 C ATOM 1175 C PRO A 80 3.497 1.444 -10.095 1.00 0.00 C ATOM 1176 O PRO A 80 3.865 0.857 -11.117 1.00 0.00 O ATOM 1177 CB PRO A 80 5.674 1.502 -8.814 1.00 0.00 C ATOM 1178 CG PRO A 80 6.297 0.550 -7.857 1.00 0.00 C ATOM 1179 CD PRO A 80 5.512 -0.727 -7.990 1.00 0.00 C ATOM 0 HA PRO A 80 3.625 1.802 -8.041 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.065 1.366 -9.822 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.872 2.536 -8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.349 0.390 -8.092 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.253 0.933 -6.838 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.928 -1.378 -8.759 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.507 -1.296 -7.060 1.00 0.00 H new ATOM 1187 N ALA A 81 2.492 2.331 -10.069 1.00 0.00 N ATOM 1188 CA ALA A 81 1.719 2.692 -11.262 1.00 0.00 C ATOM 1189 C ALA A 81 2.478 3.673 -12.161 1.00 0.00 C ATOM 1190 O ALA A 81 2.861 4.763 -11.722 1.00 0.00 O ATOM 1191 CB ALA A 81 0.376 3.281 -10.850 1.00 0.00 C ATOM 0 H ALA A 81 2.194 2.816 -9.222 1.00 0.00 H new ATOM 0 HA ALA A 81 1.555 1.783 -11.841 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.193 3.547 -11.741 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.181 2.546 -10.270 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.540 4.172 -10.245 1.00 0.00 H new ATOM 1197 N ALA A 82 2.694 3.263 -13.416 1.00 0.00 N ATOM 1198 CA ALA A 82 3.403 4.087 -14.399 1.00 0.00 C ATOM 1199 C ALA A 82 2.640 4.152 -15.723 1.00 0.00 C ATOM 1200 O ALA A 82 2.537 5.223 -16.330 1.00 0.00 O ATOM 1201 CB ALA A 82 4.812 3.552 -14.622 1.00 0.00 C ATOM 0 H ALA A 82 2.385 2.360 -13.775 1.00 0.00 H new ATOM 0 HA ALA A 82 3.470 5.100 -14.002 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.326 4.174 -15.355 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.361 3.571 -13.681 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.758 2.528 -14.990 1.00 0.00 H new ATOM 1207 N LEU A 83 2.112 3.002 -16.161 1.00 0.00 N ATOM 1208 CA LEU A 83 1.357 2.914 -17.412 1.00 0.00 C ATOM 1209 C LEU A 83 -0.073 2.450 -17.152 1.00 0.00 C ATOM 1210 CB LEU A 83 2.048 1.955 -18.382 1.00 0.00 C ATOM 1211 CG LEU A 83 3.106 2.594 -19.284 1.00 0.00 C ATOM 1212 CD1 LEU A 83 4.325 1.693 -19.396 1.00 0.00 C ATOM 1213 CD2 LEU A 83 2.527 2.885 -20.661 1.00 0.00 C ATOM 0 H LEU A 83 2.196 2.116 -15.662 1.00 0.00 H new ATOM 0 HA LEU A 83 1.322 3.908 -17.858 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.517 1.157 -17.807 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.289 1.490 -19.011 1.00 0.00 H new ATOM 0 HG LEU A 83 3.417 3.538 -18.836 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.067 2.163 -20.041 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.753 1.535 -18.406 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.030 0.734 -19.821 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.293 3.339 -21.289 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.188 1.955 -21.117 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.684 3.570 -20.564 1.00 0.00 H new TER 1225 LEU A 83 ATOM 1226 N ALA B 331 -23.965 1.324 -15.601 1.00 0.00 N ATOM 1227 CA ALA B 331 -22.793 0.475 -15.265 1.00 0.00 C ATOM 1228 C ALA B 331 -22.665 0.293 -13.757 1.00 0.00 C ATOM 1229 O ALA B 331 -22.895 1.233 -12.990 1.00 0.00 O ATOM 1230 CB ALA B 331 -21.520 1.085 -15.832 1.00 0.00 C ATOM 0 HA ALA B 331 -22.945 -0.506 -15.714 1.00 0.00 H new ATOM 0 HB1 ALA B 331 -20.669 0.453 -15.578 1.00 0.00 H new ATOM 0 HB2 ALA B 331 -21.605 1.162 -16.916 1.00 0.00 H new ATOM 0 HB3 ALA B 331 -21.373 2.079 -15.409 1.00 0.00 H new ATOM 1235 N THR B 332 -22.295 -0.923 -13.346 1.00 0.00 N ATOM 1236 CA THR B 332 -22.127 -1.254 -11.927 1.00 0.00 C ATOM 1237 C THR B 332 -20.640 -1.357 -11.549 1.00 0.00 C ATOM 1238 O THR B 332 -20.235 -0.892 -10.479 1.00 0.00 O ATOM 1239 CB THR B 332 -22.888 -2.563 -11.539 1.00 0.00 C ATOM 1240 OG1 THR B 332 -22.646 -2.894 -10.164 1.00 0.00 O ATOM 1241 CG2 THR B 332 -22.506 -3.757 -12.422 1.00 0.00 C ATOM 0 H THR B 332 -22.105 -1.699 -13.980 1.00 0.00 H new ATOM 0 HA THR B 332 -22.567 -0.436 -11.357 1.00 0.00 H new ATOM 0 HB THR B 332 -23.948 -2.362 -11.696 1.00 0.00 H new ATOM 0 HG1 THR B 332 -23.130 -3.715 -9.935 1.00 0.00 H new ATOM 0 HG21 THR B 332 -23.066 -4.637 -12.106 1.00 0.00 H new ATOM 0 HG22 THR B 332 -22.742 -3.531 -13.462 1.00 0.00 H new ATOM 0 HG23 THR B 332 -21.438 -3.953 -12.327 1.00 0.00 H new ATOM 1249 N GLY B 333 -19.845 -1.968 -12.438 1.00 0.00 N ATOM 1250 CA GLY B 333 -18.417 -2.129 -12.199 1.00 0.00 C ATOM 1251 C GLY B 333 -17.591 -1.017 -12.818 1.00 0.00 C ATOM 1252 O GLY B 333 -17.363 -1.011 -14.032 1.00 0.00 O ATOM 0 H GLY B 333 -20.171 -2.355 -13.324 1.00 0.00 H new ATOM 0 HA2 GLY B 333 -18.233 -2.158 -11.125 1.00 0.00 H new ATOM 0 HA3 GLY B 333 -18.091 -3.087 -12.604 1.00 0.00 H new ATOM 1256 N GLY B 334 -17.147 -0.080 -11.975 1.00 0.00 N ATOM 1257 CA GLY B 334 -16.344 1.042 -12.438 1.00 0.00 C ATOM 1258 C GLY B 334 -15.671 1.783 -11.300 1.00 0.00 C ATOM 1259 O GLY B 334 -15.818 3.003 -11.176 1.00 0.00 O ATOM 0 H GLY B 334 -17.333 -0.081 -10.972 1.00 0.00 H new ATOM 0 HA2 GLY B 334 -15.584 0.680 -13.131 1.00 0.00 H new ATOM 0 HA3 GLY B 334 -16.978 1.734 -12.993 1.00 0.00 H new ATOM 1263 N VAL B 335 -14.931 1.040 -10.471 1.00 0.00 N ATOM 1264 CA VAL B 335 -14.222 1.614 -9.328 1.00 0.00 C ATOM 1265 C VAL B 335 -12.707 1.669 -9.602 1.00 0.00 C ATOM 1266 O VAL B 335 -12.169 0.808 -10.302 1.00 0.00 O ATOM 1267 CB VAL B 335 -14.559 0.828 -8.017 1.00 0.00 C ATOM 1268 CG1 VAL B 335 -13.832 -0.516 -7.928 1.00 0.00 C ATOM 1269 CG2 VAL B 335 -14.283 1.678 -6.779 1.00 0.00 C ATOM 0 H VAL B 335 -14.808 0.033 -10.573 1.00 0.00 H new ATOM 0 HA VAL B 335 -14.560 2.640 -9.182 1.00 0.00 H new ATOM 0 HB VAL B 335 -15.626 0.607 -8.055 1.00 0.00 H new ATOM 0 HG11 VAL B 335 -14.104 -1.016 -6.998 1.00 0.00 H new ATOM 0 HG12 VAL B 335 -14.118 -1.141 -8.774 1.00 0.00 H new ATOM 0 HG13 VAL B 335 -12.755 -0.349 -7.948 1.00 0.00 H new ATOM 0 HG21 VAL B 335 -14.526 1.106 -5.883 1.00 0.00 H new ATOM 0 HG22 VAL B 335 -13.229 1.957 -6.757 1.00 0.00 H new ATOM 0 HG23 VAL B 335 -14.896 2.579 -6.812 1.00 0.00 H new HETATM 1279 N M3L B 336 -12.032 2.689 -9.026 1.00 0.00 N HETATM 1280 CA M3L B 336 -10.567 2.917 -9.192 1.00 0.00 C HETATM 1281 CB M3L B 336 -9.749 1.853 -8.432 1.00 0.00 C HETATM 1282 CG M3L B 336 -9.770 2.044 -6.921 1.00 0.00 C HETATM 1283 CD M3L B 336 -10.723 1.076 -6.252 1.00 0.00 C HETATM 1284 CE M3L B 336 -11.164 1.601 -4.873 1.00 0.00 C HETATM 1285 NZ M3L B 336 -11.049 0.607 -3.727 1.00 0.00 N HETATM 1286 C M3L B 336 -10.124 2.987 -10.669 1.00 0.00 C HETATM 1287 O M3L B 336 -10.898 2.678 -11.580 1.00 0.00 O HETATM 1288 CM1 M3L B 336 -9.633 0.230 -3.456 1.00 0.00 C HETATM 1289 CM2 M3L B 336 -11.878 -0.599 -4.017 1.00 0.00 C HETATM 1290 CM3 M3L B 336 -11.550 1.238 -2.490 1.00 0.00 C HETATM 0 HM33 M3L B 336 -10.956 2.125 -2.268 1.00 0.00 H new HETATM 0 HM32 M3L B 336 -12.593 1.524 -2.624 1.00 0.00 H new HETATM 0 HM31 M3L B 336 -11.471 0.532 -1.664 1.00 0.00 H new HETATM 0 HM23 M3L B 336 -12.921 -0.304 -4.134 1.00 0.00 H new HETATM 0 HM22 M3L B 336 -11.528 -1.068 -4.937 1.00 0.00 H new HETATM 0 HM21 M3L B 336 -11.791 -1.307 -3.193 1.00 0.00 H new HETATM 0 HM13 M3L B 336 -9.201 -0.226 -4.347 1.00 0.00 H new HETATM 0 HM12 M3L B 336 -9.063 1.121 -3.192 1.00 0.00 H new HETATM 0 HM11 M3L B 336 -9.597 -0.481 -2.631 1.00 0.00 H new HETATM 0 HG3 M3L B 336 -8.766 1.902 -6.521 1.00 0.00 H new HETATM 0 HG2 M3L B 336 -10.065 3.067 -6.687 1.00 0.00 H new HETATM 0 HE3 M3L B 336 -10.567 2.480 -4.630 1.00 0.00 H new HETATM 0 HE2 M3L B 336 -12.201 1.930 -4.943 1.00 0.00 H new HETATM 0 HD3 M3L B 336 -11.598 0.925 -6.885 1.00 0.00 H new HETATM 0 HD2 M3L B 336 -10.241 0.105 -6.138 1.00 0.00 H new HETATM 0 HB3 M3L B 336 -10.140 0.864 -8.672 1.00 0.00 H new HETATM 0 HB2 M3L B 336 -8.717 1.881 -8.781 1.00 0.00 H new HETATM 0 HA M3L B 336 -10.365 3.896 -8.759 1.00 0.00 H new ATOM 1310 N LYS B 337 -8.868 3.414 -10.887 1.00 0.00 N ATOM 1311 CA LYS B 337 -8.295 3.537 -12.235 1.00 0.00 C ATOM 1312 C LYS B 337 -6.905 2.843 -12.314 1.00 0.00 C ATOM 1313 O LYS B 337 -5.918 3.475 -12.708 1.00 0.00 O ATOM 1314 CB LYS B 337 -8.172 5.030 -12.611 1.00 0.00 C ATOM 1315 CG LYS B 337 -9.507 5.755 -12.802 1.00 0.00 C ATOM 1316 CD LYS B 337 -10.080 6.296 -11.484 1.00 0.00 C ATOM 1317 CE LYS B 337 -10.527 7.749 -11.609 1.00 0.00 C ATOM 1318 NZ LYS B 337 -9.467 8.692 -11.157 1.00 0.00 N1+ ATOM 0 H LYS B 337 -8.228 3.681 -10.139 1.00 0.00 H new ATOM 0 HA LYS B 337 -8.958 3.040 -12.943 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -7.605 5.541 -11.833 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -7.595 5.112 -13.532 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -9.371 6.581 -13.501 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -10.226 5.071 -13.253 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -10.926 5.681 -11.177 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -9.327 6.215 -10.701 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -10.786 7.962 -12.646 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -11.429 7.905 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -9.610 9.617 -11.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -9.516 8.800 -10.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -8.533 8.318 -11.422 1.00 0.00 H new ATOM 1332 N PRO B 338 -6.796 1.523 -11.948 1.00 0.00 N ATOM 1333 CA PRO B 338 -5.514 0.783 -11.956 1.00 0.00 C ATOM 1334 C PRO B 338 -5.050 0.303 -13.336 1.00 0.00 C ATOM 1335 O PRO B 338 -5.529 0.761 -14.376 1.00 0.00 O ATOM 1336 CB PRO B 338 -5.802 -0.435 -11.048 1.00 0.00 C ATOM 1337 CG PRO B 338 -7.138 -0.183 -10.449 1.00 0.00 C ATOM 1338 CD PRO B 338 -7.871 0.641 -11.461 1.00 0.00 C ATOM 0 HA PRO B 338 -4.704 1.432 -11.624 1.00 0.00 H new ATOM 0 HB2 PRO B 338 -5.799 -1.361 -11.623 1.00 0.00 H new ATOM 0 HB3 PRO B 338 -5.040 -0.537 -10.276 1.00 0.00 H new ATOM 0 HG2 PRO B 338 -7.662 -1.117 -10.247 1.00 0.00 H new ATOM 0 HG3 PRO B 338 -7.051 0.345 -9.499 1.00 0.00 H new ATOM 0 HD2 PRO B 338 -8.295 0.031 -12.258 1.00 0.00 H new ATOM 0 HD3 PRO B 338 -8.693 1.202 -11.017 1.00 0.00 H new ATOM 1346 N HIS B 339 -4.087 -0.634 -13.286 1.00 0.00 N ATOM 1347 CA HIS B 339 -3.451 -1.273 -14.445 1.00 0.00 C ATOM 1348 C HIS B 339 -4.464 -1.747 -15.503 1.00 0.00 C ATOM 1349 O HIS B 339 -4.332 -1.414 -16.684 1.00 0.00 O ATOM 1350 CB HIS B 339 -2.642 -2.459 -13.908 1.00 0.00 C ATOM 1351 CG HIS B 339 -1.275 -2.642 -14.488 1.00 0.00 C ATOM 1352 ND1 HIS B 339 -0.933 -2.326 -15.788 1.00 0.00 N ATOM 1353 CD2 HIS B 339 -0.151 -3.128 -13.911 1.00 0.00 C ATOM 1354 CE1 HIS B 339 0.342 -2.611 -15.986 1.00 0.00 C ATOM 1355 NE2 HIS B 339 0.839 -3.099 -14.862 1.00 0.00 N ATOM 0 H HIS B 339 -3.718 -0.979 -12.400 1.00 0.00 H new ATOM 0 HA HIS B 339 -2.818 -0.546 -14.954 1.00 0.00 H new ATOM 0 HB2 HIS B 339 -2.544 -2.346 -12.828 1.00 0.00 H new ATOM 0 HB3 HIS B 339 -3.213 -3.371 -14.083 1.00 0.00 H new ATOM 0 HD2 HIS B 339 -0.052 -3.474 -12.893 1.00 0.00 H new ATOM 0 HE1 HIS B 339 0.885 -2.470 -16.909 1.00 0.00 H new ATOM 0 HE2 HIS B 339 1.802 -3.405 -14.724 1.00 0.00 H new ATOM 1364 N ARG B 340 -5.469 -2.524 -15.064 1.00 0.00 N ATOM 1365 CA ARG B 340 -6.509 -3.046 -15.958 1.00 0.00 C ATOM 1366 C ARG B 340 -7.855 -3.134 -15.233 1.00 0.00 C ATOM 1367 O ARG B 340 -8.854 -2.584 -15.705 1.00 0.00 O ATOM 1368 CB ARG B 340 -6.113 -4.426 -16.508 1.00 0.00 C ATOM 1369 CG ARG B 340 -5.743 -4.416 -17.987 1.00 0.00 C ATOM 1370 CD ARG B 340 -6.883 -4.936 -18.851 1.00 0.00 C ATOM 1371 NE ARG B 340 -6.949 -6.402 -18.852 1.00 0.00 N ATOM 1372 CZ ARG B 340 -7.266 -7.152 -19.918 1.00 0.00 C ATOM 1373 NH1 ARG B 340 -7.550 -6.594 -21.094 1.00 0.00 N1+ ATOM 1374 NH2 ARG B 340 -7.297 -8.473 -19.802 1.00 0.00 N ATOM 0 H ARG B 340 -5.580 -2.804 -14.089 1.00 0.00 H new ATOM 0 HA ARG B 340 -6.610 -2.354 -16.794 1.00 0.00 H new ATOM 0 HB2 ARG B 340 -5.268 -4.807 -15.934 1.00 0.00 H new ATOM 0 HB3 ARG B 340 -6.940 -5.119 -16.355 1.00 0.00 H new ATOM 0 HG2 ARG B 340 -5.487 -3.401 -18.292 1.00 0.00 H new ATOM 0 HG3 ARG B 340 -4.856 -5.029 -18.145 1.00 0.00 H new ATOM 0 HD2 ARG B 340 -7.827 -4.531 -18.487 1.00 0.00 H new ATOM 0 HD3 ARG B 340 -6.756 -4.578 -19.873 1.00 0.00 H new ATOM 0 HE ARG B 340 -6.739 -6.886 -17.979 1.00 0.00 H new ATOM 0 HH11 ARG B 340 -7.529 -5.579 -21.195 1.00 0.00 H new ATOM 0 HH12 ARG B 340 -7.789 -7.182 -21.893 1.00 0.00 H new ATOM 0 HH21 ARG B 340 -7.081 -8.912 -18.907 1.00 0.00 H new ATOM 0 HH22 ARG B 340 -7.537 -9.050 -20.608 1.00 0.00 H new ATOM 1388 N TYR B 341 -7.868 -3.830 -14.085 1.00 0.00 N ATOM 1389 CA TYR B 341 -9.082 -4.004 -13.277 1.00 0.00 C ATOM 1390 C TYR B 341 -8.747 -3.995 -11.787 1.00 0.00 C ATOM 1391 CB TYR B 341 -9.827 -5.308 -13.638 1.00 0.00 C ATOM 1392 CG TYR B 341 -8.929 -6.492 -13.956 1.00 0.00 C ATOM 1393 CD1 TYR B 341 -8.404 -7.287 -12.943 1.00 0.00 C ATOM 1394 CD2 TYR B 341 -8.608 -6.811 -15.271 1.00 0.00 C ATOM 1395 CE1 TYR B 341 -7.587 -8.364 -13.232 1.00 0.00 C ATOM 1396 CE2 TYR B 341 -7.794 -7.886 -15.567 1.00 0.00 C ATOM 1397 CZ TYR B 341 -7.285 -8.659 -14.545 1.00 0.00 C ATOM 1398 OH TYR B 341 -6.474 -9.731 -14.836 1.00 0.00 O ATOM 0 H TYR B 341 -7.043 -4.284 -13.694 1.00 0.00 H new ATOM 0 HA TYR B 341 -9.740 -3.164 -13.501 1.00 0.00 H new ATOM 0 HB2 TYR B 341 -10.479 -5.578 -12.808 1.00 0.00 H new ATOM 0 HB3 TYR B 341 -10.469 -5.116 -14.498 1.00 0.00 H new ATOM 0 HD1 TYR B 341 -8.638 -7.059 -11.914 1.00 0.00 H new ATOM 0 HD2 TYR B 341 -9.002 -6.207 -16.075 1.00 0.00 H new ATOM 0 HE1 TYR B 341 -7.187 -8.971 -12.434 1.00 0.00 H new ATOM 0 HE2 TYR B 341 -7.557 -8.120 -16.594 1.00 0.00 H new ATOM 0 HH TYR B 341 -6.361 -9.802 -15.807 1.00 0.00 H new TER 1408 TYR B 341