USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=18 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 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 45:sc= 0.0221 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 36:sc= 0.0732 USER MOD Single : A 35 GLN : amide:sc= -1.2 K(o=-1.2,f=-3.1!) USER MOD Single : A 42 THR OG1 : rot -18:sc= 0.864 USER MOD Single : A 47 TYR OH : rot 109:sc= 1.41 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 165:sc= -2.16! USER MOD Single : A 61 CYS SG : rot -150:sc= -10.3! USER MOD Single : A 64 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.66) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.96) 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+ 158:sc= 0.473 (180deg=-0.776!) USER MOD Single : B 339 HIS : no HD1:sc= -2.6 K(o=-2.6,f=-0.74) USER MOD Single : B 341 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 9.570 -28.674 16.603 1.00 0.00 N ATOM 2 CA SER A 5 8.913 -29.139 15.353 1.00 0.00 C ATOM 3 C SER A 5 7.875 -28.129 14.862 1.00 0.00 C ATOM 4 O SER A 5 7.785 -27.863 13.660 1.00 0.00 O ATOM 5 CB SER A 5 8.251 -30.501 15.583 1.00 0.00 C ATOM 6 OG SER A 5 8.177 -31.242 14.377 1.00 0.00 O ATOM 0 HA SER A 5 9.680 -29.235 14.585 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.818 -31.064 16.325 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.249 -30.358 15.988 1.00 0.00 H new ATOM 0 HG SER A 5 7.752 -32.108 14.551 1.00 0.00 H new ATOM 11 N ARG A 6 7.097 -27.573 15.800 1.00 0.00 N ATOM 12 CA ARG A 6 6.064 -26.588 15.474 1.00 0.00 C ATOM 13 C ARG A 6 6.546 -25.174 15.789 1.00 0.00 C ATOM 14 O ARG A 6 6.906 -24.870 16.931 1.00 0.00 O ATOM 15 CB ARG A 6 4.774 -26.887 16.246 1.00 0.00 C ATOM 16 CG ARG A 6 3.950 -28.030 15.659 1.00 0.00 C ATOM 17 CD ARG A 6 2.476 -27.662 15.548 1.00 0.00 C ATOM 18 NE ARG A 6 2.204 -26.831 14.368 1.00 0.00 N ATOM 19 CZ ARG A 6 1.516 -27.235 13.289 1.00 0.00 C ATOM 20 NH1 ARG A 6 1.009 -28.465 13.214 1.00 0.00 N1+ ATOM 21 NH2 ARG A 6 1.336 -26.398 12.277 1.00 0.00 N ATOM 0 H ARG A 6 7.166 -27.792 16.794 1.00 0.00 H new ATOM 0 HA ARG A 6 5.858 -26.655 14.406 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.028 -27.129 17.278 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.161 -25.986 16.271 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.336 -28.288 14.673 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.058 -28.916 16.285 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.878 -28.572 15.496 1.00 0.00 H new ATOM 0 HD3 ARG A 6 2.167 -27.128 16.447 1.00 0.00 H new ATOM 0 HE ARG A 6 2.564 -25.877 14.369 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.141 -29.119 13.986 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.489 -28.753 12.385 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.719 -25.454 12.322 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.814 -26.698 11.454 1.00 0.00 H new ATOM 35 N LEU A 7 6.557 -24.320 14.758 1.00 0.00 N ATOM 36 CA LEU A 7 6.992 -22.925 14.898 1.00 0.00 C ATOM 37 C LEU A 7 6.071 -21.966 14.135 1.00 0.00 C ATOM 38 O LEU A 7 6.143 -20.748 14.328 1.00 0.00 O ATOM 39 CB LEU A 7 8.433 -22.764 14.401 1.00 0.00 C ATOM 40 CG LEU A 7 9.511 -23.188 15.401 1.00 0.00 C ATOM 41 CD1 LEU A 7 10.611 -23.973 14.703 1.00 0.00 C ATOM 42 CD2 LEU A 7 10.090 -21.971 16.107 1.00 0.00 C ATOM 0 H LEU A 7 6.268 -24.573 13.813 1.00 0.00 H new ATOM 0 HA LEU A 7 6.942 -22.671 15.957 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.555 -23.348 13.489 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.596 -21.720 14.135 1.00 0.00 H new ATOM 0 HG LEU A 7 9.051 -23.834 16.148 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.368 -24.265 15.431 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.186 -24.865 14.244 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.069 -23.352 13.933 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.855 -22.291 16.815 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.534 -21.300 15.371 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.297 -21.449 16.642 1.00 0.00 H new ATOM 54 N SER A 8 5.207 -22.524 13.274 1.00 0.00 N ATOM 55 CA SER A 8 4.271 -21.729 12.477 1.00 0.00 C ATOM 56 C SER A 8 2.913 -21.604 13.184 1.00 0.00 C ATOM 57 O SER A 8 1.865 -21.984 12.642 1.00 0.00 O ATOM 58 CB SER A 8 4.114 -22.348 11.081 1.00 0.00 C ATOM 59 OG SER A 8 3.602 -21.402 10.159 1.00 0.00 O ATOM 0 H SER A 8 5.140 -23.529 13.114 1.00 0.00 H new ATOM 0 HA SER A 8 4.675 -20.723 12.366 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.079 -22.715 10.732 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.446 -23.208 11.134 1.00 0.00 H new ATOM 0 HG SER A 8 3.513 -21.820 9.277 1.00 0.00 H new ATOM 65 N ARG A 9 2.951 -21.065 14.406 1.00 0.00 N ATOM 66 CA ARG A 9 1.745 -20.868 15.214 1.00 0.00 C ATOM 67 C ARG A 9 1.382 -19.385 15.309 1.00 0.00 C ATOM 68 O ARG A 9 0.201 -19.028 15.256 1.00 0.00 O ATOM 69 CB ARG A 9 1.942 -21.451 16.620 1.00 0.00 C ATOM 70 CG ARG A 9 1.133 -22.716 16.891 1.00 0.00 C ATOM 71 CD ARG A 9 -0.217 -22.397 17.517 1.00 0.00 C ATOM 72 NE ARG A 9 -1.052 -23.593 17.670 1.00 0.00 N ATOM 73 CZ ARG A 9 -1.898 -23.810 18.687 1.00 0.00 C ATOM 74 NH1 ARG A 9 -2.041 -22.919 19.666 1.00 0.00 N1+ ATOM 75 NH2 ARG A 9 -2.606 -24.932 18.722 1.00 0.00 N ATOM 0 H ARG A 9 3.811 -20.756 14.860 1.00 0.00 H new ATOM 0 HA ARG A 9 0.924 -21.391 14.724 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.000 -21.671 16.765 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.670 -20.695 17.356 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.982 -23.259 15.958 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.696 -23.373 17.554 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.064 -21.936 18.493 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.740 -21.668 16.898 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.984 -24.312 16.950 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.502 -22.053 19.651 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.690 -23.102 20.431 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.504 -25.623 17.978 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.252 -25.104 19.493 1.00 0.00 H new ATOM 89 N SER A 10 2.406 -18.534 15.450 1.00 0.00 N ATOM 90 CA SER A 10 2.212 -17.087 15.551 1.00 0.00 C ATOM 91 C SER A 10 2.412 -16.414 14.194 1.00 0.00 C ATOM 92 O SER A 10 3.459 -16.575 13.559 1.00 0.00 O ATOM 93 CB SER A 10 3.178 -16.492 16.580 1.00 0.00 C ATOM 94 OG SER A 10 2.898 -16.973 17.883 1.00 0.00 O ATOM 0 H SER A 10 3.382 -18.828 15.497 1.00 0.00 H new ATOM 0 HA SER A 10 1.188 -16.904 15.878 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.203 -16.744 16.309 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.103 -15.405 16.567 1.00 0.00 H new ATOM 0 HG SER A 10 3.530 -16.579 18.520 1.00 0.00 H new ATOM 100 N GLY A 11 1.391 -15.668 13.762 1.00 0.00 N ATOM 101 CA GLY A 11 1.446 -14.970 12.485 1.00 0.00 C ATOM 102 C GLY A 11 0.243 -14.073 12.265 1.00 0.00 C ATOM 103 O GLY A 11 -0.428 -14.170 11.233 1.00 0.00 O ATOM 0 H GLY A 11 0.522 -15.535 14.279 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.356 -14.371 12.440 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.505 -15.700 11.677 1.00 0.00 H new ATOM 107 N ALA A 12 -0.021 -13.200 13.242 1.00 0.00 N ATOM 108 CA ALA A 12 -1.148 -12.270 13.176 1.00 0.00 C ATOM 109 C ALA A 12 -0.688 -10.878 12.740 1.00 0.00 C ATOM 110 O ALA A 12 0.495 -10.542 12.858 1.00 0.00 O ATOM 111 CB ALA A 12 -1.848 -12.205 14.530 1.00 0.00 C ATOM 0 H ALA A 12 0.536 -13.119 14.093 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.854 -12.635 12.430 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.686 -11.510 14.473 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.215 -13.196 14.798 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.143 -11.862 15.288 1.00 0.00 H new ATOM 117 N SER A 13 -1.637 -10.075 12.236 1.00 0.00 N ATOM 118 CA SER A 13 -1.351 -8.713 11.775 1.00 0.00 C ATOM 119 C SER A 13 -1.447 -7.708 12.923 1.00 0.00 C ATOM 120 O SER A 13 -2.437 -7.692 13.661 1.00 0.00 O ATOM 121 CB SER A 13 -2.316 -8.318 10.653 1.00 0.00 C ATOM 122 OG SER A 13 -3.663 -8.552 11.027 1.00 0.00 O ATOM 0 H SER A 13 -2.614 -10.350 12.138 1.00 0.00 H new ATOM 0 HA SER A 13 -0.330 -8.697 11.392 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.182 -7.264 10.409 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.082 -8.886 9.752 1.00 0.00 H new ATOM 0 HG SER A 13 -3.812 -8.222 11.938 1.00 0.00 H new ATOM 128 N SER A 14 -0.401 -6.868 13.062 1.00 0.00 N ATOM 129 CA SER A 14 -0.307 -5.831 14.117 1.00 0.00 C ATOM 130 C SER A 14 -0.386 -6.437 15.526 1.00 0.00 C ATOM 131 O SER A 14 -1.452 -6.887 15.965 1.00 0.00 O ATOM 132 CB SER A 14 -1.388 -4.746 13.939 1.00 0.00 C ATOM 133 OG SER A 14 -0.950 -3.727 13.057 1.00 0.00 O ATOM 0 H SER A 14 0.409 -6.888 12.443 1.00 0.00 H new ATOM 0 HA SER A 14 0.671 -5.363 14.009 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.301 -5.198 13.552 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.634 -4.311 14.908 1.00 0.00 H new ATOM 0 HG SER A 14 -1.655 -3.053 12.960 1.00 0.00 H new ATOM 139 N LEU A 15 0.760 -6.453 16.216 1.00 0.00 N ATOM 140 CA LEU A 15 0.848 -6.999 17.573 1.00 0.00 C ATOM 141 C LEU A 15 1.607 -6.049 18.502 1.00 0.00 C ATOM 142 O LEU A 15 1.140 -5.756 19.606 1.00 0.00 O ATOM 143 CB LEU A 15 1.530 -8.377 17.555 1.00 0.00 C ATOM 144 CG LEU A 15 0.579 -9.578 17.557 1.00 0.00 C ATOM 145 CD1 LEU A 15 1.116 -10.685 16.663 1.00 0.00 C ATOM 146 CD2 LEU A 15 0.372 -10.093 18.976 1.00 0.00 C ATOM 0 H LEU A 15 1.643 -6.092 15.854 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.167 -7.111 17.955 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.165 -8.438 16.671 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.185 -8.451 18.423 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.384 -9.254 17.164 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.428 -11.530 16.677 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.214 -10.313 15.643 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.092 -11.006 17.028 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.306 -10.946 18.958 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.330 -10.400 19.395 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.056 -9.302 19.591 1.00 0.00 H new ATOM 158 N TRP A 16 2.775 -5.573 18.046 1.00 0.00 N ATOM 159 CA TRP A 16 3.607 -4.656 18.829 1.00 0.00 C ATOM 160 C TRP A 16 4.097 -3.492 17.973 1.00 0.00 C ATOM 161 O TRP A 16 4.289 -3.638 16.762 1.00 0.00 O ATOM 162 CB TRP A 16 4.803 -5.399 19.429 1.00 0.00 C ATOM 163 CG TRP A 16 4.803 -5.410 20.931 1.00 0.00 C ATOM 164 CD1 TRP A 16 4.421 -6.442 21.738 1.00 0.00 C ATOM 165 CD2 TRP A 16 5.201 -4.342 21.806 1.00 0.00 C ATOM 166 NE1 TRP A 16 4.556 -6.086 23.058 1.00 0.00 N ATOM 167 CE2 TRP A 16 5.032 -4.804 23.127 1.00 0.00 C ATOM 168 CE3 TRP A 16 5.684 -3.042 21.607 1.00 0.00 C ATOM 169 CZ2 TRP A 16 5.328 -4.015 24.236 1.00 0.00 C ATOM 170 CZ3 TRP A 16 5.976 -2.261 22.710 1.00 0.00 C ATOM 171 CH2 TRP A 16 5.798 -2.750 24.009 1.00 0.00 C ATOM 0 H TRP A 16 3.164 -5.811 17.134 1.00 0.00 H new ATOM 0 HA TRP A 16 2.993 -4.256 19.636 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.803 -6.426 19.065 1.00 0.00 H new ATOM 0 HB3 TRP A 16 5.724 -4.935 19.076 1.00 0.00 H new ATOM 0 HD1 TRP A 16 4.064 -7.400 21.389 1.00 0.00 H new ATOM 0 HE1 TRP A 16 4.337 -6.681 23.857 1.00 0.00 H new ATOM 0 HE3 TRP A 16 5.826 -2.656 20.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.191 -4.389 25.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 6.348 -1.257 22.567 1.00 0.00 H new ATOM 0 HH2 TRP A 16 6.037 -2.116 24.850 1.00 0.00 H new ATOM 182 N ASP A 17 4.296 -2.340 18.619 1.00 0.00 N ATOM 183 CA ASP A 17 4.767 -1.128 17.940 1.00 0.00 C ATOM 184 C ASP A 17 6.256 -0.864 18.254 1.00 0.00 C ATOM 185 O ASP A 17 6.763 -1.381 19.255 1.00 0.00 O ATOM 186 CB ASP A 17 3.904 0.090 18.335 1.00 0.00 C ATOM 187 CG ASP A 17 3.684 0.231 19.837 1.00 0.00 C ATOM 188 OD1 ASP A 17 4.672 0.466 20.563 1.00 0.00 O ATOM 189 OD2 ASP A 17 2.523 0.105 20.280 1.00 0.00 O1- ATOM 0 H ASP A 17 4.137 -2.220 19.619 1.00 0.00 H new ATOM 0 HA ASP A 17 4.669 -1.284 16.866 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.380 0.997 17.961 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.935 0.012 17.842 1.00 0.00 H new ATOM 194 N PRO A 18 6.992 -0.058 17.415 1.00 0.00 N ATOM 195 CA PRO A 18 8.423 0.243 17.652 1.00 0.00 C ATOM 196 C PRO A 18 8.647 1.124 18.884 1.00 0.00 C ATOM 197 O PRO A 18 7.929 2.106 19.094 1.00 0.00 O ATOM 198 CB PRO A 18 8.866 0.994 16.385 1.00 0.00 C ATOM 199 CG PRO A 18 7.783 0.762 15.386 1.00 0.00 C ATOM 200 CD PRO A 18 6.521 0.611 16.180 1.00 0.00 C ATOM 0 HA PRO A 18 8.987 -0.670 17.842 1.00 0.00 H new ATOM 0 HB2 PRO A 18 8.995 2.058 16.584 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.823 0.620 16.021 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.709 1.597 14.689 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.982 -0.131 14.794 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.059 1.575 16.393 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.780 0.011 15.652 1.00 0.00 H new ATOM 208 N ALA A 19 9.650 0.756 19.687 1.00 0.00 N ATOM 209 CA ALA A 19 9.987 1.495 20.906 1.00 0.00 C ATOM 210 C ALA A 19 11.195 2.413 20.700 1.00 0.00 C ATOM 211 O ALA A 19 11.391 3.361 21.465 1.00 0.00 O ATOM 212 CB ALA A 19 10.252 0.526 22.048 1.00 0.00 C ATOM 0 H ALA A 19 10.245 -0.054 19.513 1.00 0.00 H new ATOM 0 HA ALA A 19 9.134 2.126 21.157 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.502 1.086 22.949 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.361 -0.075 22.229 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.084 -0.128 21.785 1.00 0.00 H new ATOM 218 N SER A 20 11.996 2.124 19.667 1.00 0.00 N ATOM 219 CA SER A 20 13.186 2.918 19.355 1.00 0.00 C ATOM 220 C SER A 20 13.084 3.537 17.948 1.00 0.00 C ATOM 221 O SER A 20 12.317 3.033 17.121 1.00 0.00 O ATOM 222 CB SER A 20 14.440 2.046 19.455 1.00 0.00 C ATOM 223 OG SER A 20 15.108 2.252 20.688 1.00 0.00 O ATOM 0 H SER A 20 11.838 1.342 19.032 1.00 0.00 H new ATOM 0 HA SER A 20 13.254 3.729 20.080 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.165 0.996 19.358 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.114 2.277 18.630 1.00 0.00 H new ATOM 0 HG SER A 20 15.904 1.682 20.728 1.00 0.00 H new ATOM 229 N PRO A 21 13.851 4.638 17.638 1.00 0.00 N ATOM 230 CA PRO A 21 13.811 5.288 16.311 1.00 0.00 C ATOM 231 C PRO A 21 14.506 4.459 15.225 1.00 0.00 C ATOM 232 O PRO A 21 15.263 3.533 15.531 1.00 0.00 O ATOM 233 CB PRO A 21 14.561 6.618 16.520 1.00 0.00 C ATOM 234 CG PRO A 21 14.756 6.747 17.995 1.00 0.00 C ATOM 235 CD PRO A 21 14.795 5.346 18.529 1.00 0.00 C ATOM 0 HA PRO A 21 12.785 5.413 15.966 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.518 6.614 15.998 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.987 7.457 16.126 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.681 7.277 18.222 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.944 7.315 18.448 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.797 4.920 18.479 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.481 5.300 19.572 1.00 0.00 H new ATOM 243 N ALA A 22 14.237 4.808 13.959 1.00 0.00 N ATOM 244 CA ALA A 22 14.822 4.113 12.811 1.00 0.00 C ATOM 245 C ALA A 22 16.136 4.773 12.364 1.00 0.00 C ATOM 246 O ALA A 22 16.313 5.978 12.565 1.00 0.00 O ATOM 247 CB ALA A 22 13.828 4.080 11.658 1.00 0.00 C ATOM 0 H ALA A 22 13.613 5.574 13.706 1.00 0.00 H new ATOM 0 HA ALA A 22 15.050 3.092 13.116 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.273 3.561 10.809 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.925 3.556 11.971 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.574 5.099 11.367 1.00 0.00 H new ATOM 253 N PRO A 23 17.085 3.996 11.747 1.00 0.00 N ATOM 254 CA PRO A 23 18.383 4.537 11.282 1.00 0.00 C ATOM 255 C PRO A 23 18.243 5.535 10.121 1.00 0.00 C ATOM 256 O PRO A 23 17.164 5.665 9.533 1.00 0.00 O ATOM 257 CB PRO A 23 19.156 3.284 10.833 1.00 0.00 C ATOM 258 CG PRO A 23 18.111 2.265 10.527 1.00 0.00 C ATOM 259 CD PRO A 23 16.976 2.538 11.476 1.00 0.00 C ATOM 0 HA PRO A 23 18.882 5.105 12.067 1.00 0.00 H new ATOM 0 HB2 PRO A 23 19.770 3.493 9.957 1.00 0.00 H new ATOM 0 HB3 PRO A 23 19.828 2.935 11.617 1.00 0.00 H new ATOM 0 HG2 PRO A 23 17.781 2.343 9.491 1.00 0.00 H new ATOM 0 HG3 PRO A 23 18.499 1.255 10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 23 16.013 2.284 11.032 1.00 0.00 H new ATOM 0 HD3 PRO A 23 17.069 1.953 12.391 1.00 0.00 H new ATOM 267 N THR A 24 19.346 6.229 9.805 1.00 0.00 N ATOM 268 CA THR A 24 19.371 7.224 8.721 1.00 0.00 C ATOM 269 C THR A 24 19.658 6.573 7.355 1.00 0.00 C ATOM 270 O THR A 24 19.081 6.974 6.340 1.00 0.00 O ATOM 271 CB THR A 24 20.396 8.367 9.011 1.00 0.00 C ATOM 272 OG1 THR A 24 20.421 9.305 7.925 1.00 0.00 O ATOM 273 CG2 THR A 24 21.815 7.843 9.260 1.00 0.00 C ATOM 0 H THR A 24 20.238 6.119 10.288 1.00 0.00 H new ATOM 0 HA THR A 24 18.376 7.667 8.678 1.00 0.00 H new ATOM 0 HB THR A 24 20.060 8.858 9.924 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.066 10.016 8.122 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.483 8.681 9.456 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.810 7.174 10.121 1.00 0.00 H new ATOM 0 HG23 THR A 24 22.162 7.300 8.381 1.00 0.00 H new ATOM 281 N SER A 25 20.550 5.574 7.350 1.00 0.00 N ATOM 282 CA SER A 25 20.920 4.862 6.126 1.00 0.00 C ATOM 283 C SER A 25 20.091 3.588 5.962 1.00 0.00 C ATOM 284 O SER A 25 20.058 2.739 6.859 1.00 0.00 O ATOM 285 CB SER A 25 22.414 4.521 6.138 1.00 0.00 C ATOM 286 OG SER A 25 22.781 3.861 7.338 1.00 0.00 O ATOM 0 H SER A 25 21.030 5.241 8.186 1.00 0.00 H new ATOM 0 HA SER A 25 20.713 5.516 5.279 1.00 0.00 H new ATOM 0 HB2 SER A 25 22.651 3.887 5.284 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.999 5.434 6.029 1.00 0.00 H new ATOM 0 HG SER A 25 22.053 3.269 7.622 1.00 0.00 H new ATOM 292 N GLY A 26 19.422 3.472 4.809 1.00 0.00 N ATOM 293 CA GLY A 26 18.595 2.309 4.525 1.00 0.00 C ATOM 294 C GLY A 26 17.707 2.505 3.299 1.00 0.00 C ATOM 295 O GLY A 26 18.071 3.280 2.409 1.00 0.00 O ATOM 0 H GLY A 26 19.441 4.169 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 26 19.236 1.441 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.970 2.092 5.391 1.00 0.00 H new ATOM 299 N PRO A 27 16.526 1.815 3.211 1.00 0.00 N ATOM 300 CA PRO A 27 15.617 1.947 2.058 1.00 0.00 C ATOM 301 C PRO A 27 14.753 3.217 2.108 1.00 0.00 C ATOM 302 O PRO A 27 14.172 3.541 3.146 1.00 0.00 O ATOM 303 CB PRO A 27 14.745 0.690 2.152 1.00 0.00 C ATOM 304 CG PRO A 27 14.716 0.333 3.605 1.00 0.00 C ATOM 305 CD PRO A 27 16.002 0.845 4.210 1.00 0.00 C ATOM 0 HA PRO A 27 16.167 2.036 1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 27 13.740 0.880 1.774 1.00 0.00 H new ATOM 0 HB3 PRO A 27 15.161 -0.122 1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 27 13.853 0.783 4.096 1.00 0.00 H new ATOM 0 HG3 PRO A 27 14.631 -0.746 3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.824 1.324 5.173 1.00 0.00 H new ATOM 0 HD3 PRO A 27 16.709 0.034 4.384 1.00 0.00 H new ATOM 313 N ARG A 28 14.688 3.920 0.971 1.00 0.00 N ATOM 314 CA ARG A 28 13.905 5.153 0.853 1.00 0.00 C ATOM 315 C ARG A 28 13.032 5.157 -0.421 1.00 0.00 C ATOM 316 O ARG A 28 11.840 5.464 -0.325 1.00 0.00 O ATOM 317 CB ARG A 28 14.822 6.383 0.869 1.00 0.00 C ATOM 318 CG ARG A 28 14.391 7.450 1.862 1.00 0.00 C ATOM 319 CD ARG A 28 14.991 8.805 1.521 1.00 0.00 C ATOM 320 NE ARG A 28 14.971 9.719 2.668 1.00 0.00 N ATOM 321 CZ ARG A 28 16.054 10.310 3.195 1.00 0.00 C ATOM 322 NH1 ARG A 28 17.270 10.098 2.694 1.00 0.00 N1+ ATOM 323 NH2 ARG A 28 15.915 11.119 4.236 1.00 0.00 N ATOM 0 H ARG A 28 15.173 3.652 0.114 1.00 0.00 H new ATOM 0 HA ARG A 28 13.239 5.197 1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.837 6.066 1.107 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.850 6.818 -0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.304 7.524 1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.697 7.158 2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.018 8.672 1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.437 9.249 0.694 1.00 0.00 H new ATOM 0 HE ARG A 28 14.067 9.920 3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.391 9.476 1.895 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.080 10.557 3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.990 11.288 4.630 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.733 11.572 4.643 1.00 0.00 H new ATOM 337 N PRO A 29 13.586 4.823 -1.640 1.00 0.00 N ATOM 338 CA PRO A 29 12.801 4.809 -2.897 1.00 0.00 C ATOM 339 C PRO A 29 11.797 3.649 -2.960 1.00 0.00 C ATOM 340 O PRO A 29 11.766 2.800 -2.064 1.00 0.00 O ATOM 341 CB PRO A 29 13.867 4.655 -4.002 1.00 0.00 C ATOM 342 CG PRO A 29 15.176 4.904 -3.333 1.00 0.00 C ATOM 343 CD PRO A 29 14.994 4.453 -1.917 1.00 0.00 C ATOM 0 HA PRO A 29 12.197 5.711 -2.994 1.00 0.00 H new ATOM 0 HB2 PRO A 29 13.835 3.658 -4.442 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.699 5.366 -4.811 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.978 4.350 -3.821 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.445 5.959 -3.377 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.161 3.381 -1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.686 4.954 -1.240 1.00 0.00 H new ATOM 351 N ARG A 30 10.965 3.642 -4.030 1.00 0.00 N ATOM 352 CA ARG A 30 9.924 2.611 -4.285 1.00 0.00 C ATOM 353 C ARG A 30 8.676 2.794 -3.408 1.00 0.00 C ATOM 354 O ARG A 30 7.617 2.253 -3.727 1.00 0.00 O ATOM 355 CB ARG A 30 10.468 1.177 -4.130 1.00 0.00 C ATOM 356 CG ARG A 30 10.160 0.280 -5.318 1.00 0.00 C ATOM 357 CD ARG A 30 10.619 -1.150 -5.069 1.00 0.00 C ATOM 358 NE ARG A 30 11.595 -1.596 -6.069 1.00 0.00 N ATOM 359 CZ ARG A 30 11.484 -2.712 -6.803 1.00 0.00 C ATOM 360 NH1 ARG A 30 10.437 -3.526 -6.670 1.00 0.00 N1+ ATOM 361 NH2 ARG A 30 12.433 -3.016 -7.679 1.00 0.00 N ATOM 0 H ARG A 30 10.997 4.362 -4.752 1.00 0.00 H new ATOM 0 HA ARG A 30 9.628 2.756 -5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.548 1.220 -3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.045 0.732 -3.229 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.088 0.290 -5.515 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.652 0.672 -6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.060 -1.221 -4.075 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.756 -1.815 -5.083 1.00 0.00 H new ATOM 0 HE ARG A 30 12.419 -1.014 -6.217 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.701 -3.305 -6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.372 -4.370 -7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.240 -2.402 -7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.356 -3.864 -8.241 1.00 0.00 H new ATOM 375 N LEU A 31 8.812 3.542 -2.301 1.00 0.00 N ATOM 376 CA LEU A 31 7.697 3.812 -1.384 1.00 0.00 C ATOM 377 C LEU A 31 7.872 5.178 -0.719 1.00 0.00 C ATOM 378 O LEU A 31 8.769 5.372 0.110 1.00 0.00 O ATOM 379 CB LEU A 31 7.576 2.698 -0.312 1.00 0.00 C ATOM 380 CG LEU A 31 6.549 1.564 -0.576 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.278 2.070 -1.246 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.160 0.447 -1.406 1.00 0.00 C ATOM 0 H LEU A 31 9.692 3.973 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 31 6.775 3.822 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.558 2.241 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.321 3.170 0.637 1.00 0.00 H new ATOM 0 HG LEU A 31 6.274 1.171 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.595 1.236 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.800 2.812 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.528 2.525 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.415 -0.331 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.490 0.845 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.013 0.025 -0.876 1.00 0.00 H new ATOM 394 N TRP A 32 7.006 6.126 -1.107 1.00 0.00 N ATOM 395 CA TRP A 32 7.033 7.497 -0.574 1.00 0.00 C ATOM 396 C TRP A 32 5.619 8.091 -0.538 1.00 0.00 C ATOM 397 O TRP A 32 4.735 7.628 -1.260 1.00 0.00 O ATOM 398 CB TRP A 32 7.986 8.397 -1.405 1.00 0.00 C ATOM 399 CG TRP A 32 7.609 8.562 -2.857 1.00 0.00 C ATOM 400 CD1 TRP A 32 7.698 7.618 -3.839 1.00 0.00 C ATOM 401 CD2 TRP A 32 7.090 9.746 -3.485 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.261 8.137 -5.032 1.00 0.00 N ATOM 403 CE2 TRP A 32 6.886 9.439 -4.844 1.00 0.00 C ATOM 404 CE3 TRP A 32 6.777 11.034 -3.034 1.00 0.00 C ATOM 405 CZ2 TRP A 32 6.383 10.368 -5.751 1.00 0.00 C ATOM 406 CZ3 TRP A 32 6.279 11.955 -3.936 1.00 0.00 C ATOM 407 CH2 TRP A 32 6.087 11.618 -5.282 1.00 0.00 C ATOM 0 H TRP A 32 6.271 5.966 -1.795 1.00 0.00 H new ATOM 0 HA TRP A 32 7.414 7.456 0.447 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.025 9.383 -0.942 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.992 7.980 -1.352 1.00 0.00 H new ATOM 0 HD1 TRP A 32 8.059 6.610 -3.698 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.222 7.632 -5.918 1.00 0.00 H new ATOM 0 HE3 TRP A 32 6.922 11.303 -1.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.232 10.110 -6.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.034 12.951 -3.598 1.00 0.00 H new ATOM 0 HH2 TRP A 32 5.697 12.360 -5.963 1.00 0.00 H new ATOM 418 N GLU A 33 5.423 9.134 0.288 1.00 0.00 N ATOM 419 CA GLU A 33 4.115 9.797 0.427 1.00 0.00 C ATOM 420 C GLU A 33 3.685 10.477 -0.879 1.00 0.00 C ATOM 421 O GLU A 33 4.337 11.417 -1.350 1.00 0.00 O ATOM 422 CB GLU A 33 4.159 10.818 1.567 1.00 0.00 C ATOM 423 CG GLU A 33 3.864 10.220 2.933 1.00 0.00 C ATOM 424 CD GLU A 33 3.840 11.263 4.033 1.00 0.00 C ATOM 425 OE1 GLU A 33 4.929 11.668 4.492 1.00 0.00 O1- ATOM 426 OE2 GLU A 33 2.732 11.675 4.437 1.00 0.00 O ATOM 0 H GLU A 33 6.157 9.537 0.871 1.00 0.00 H new ATOM 0 HA GLU A 33 3.376 9.031 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.145 11.283 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.438 11.609 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.902 9.708 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.618 9.468 3.167 1.00 0.00 H new ATOM 433 N GLY A 34 2.583 9.979 -1.453 1.00 0.00 N ATOM 434 CA GLY A 34 2.060 10.507 -2.705 1.00 0.00 C ATOM 435 C GLY A 34 2.540 9.710 -3.904 1.00 0.00 C ATOM 436 O GLY A 34 2.670 10.254 -5.005 1.00 0.00 O ATOM 0 H GLY A 34 2.039 9.209 -1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.970 10.497 -2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.366 11.547 -2.815 1.00 0.00 H new ATOM 440 N GLN A 35 2.804 8.416 -3.678 1.00 0.00 N ATOM 441 CA GLN A 35 3.276 7.519 -4.725 1.00 0.00 C ATOM 442 C GLN A 35 2.117 6.661 -5.227 1.00 0.00 C ATOM 443 O GLN A 35 1.487 5.945 -4.442 1.00 0.00 O ATOM 444 CB GLN A 35 4.443 6.655 -4.171 1.00 0.00 C ATOM 445 CG GLN A 35 4.542 5.227 -4.732 1.00 0.00 C ATOM 446 CD GLN A 35 5.821 4.955 -5.504 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.353 5.821 -6.203 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.309 3.729 -5.388 1.00 0.00 N ATOM 0 H GLN A 35 2.695 7.970 -2.767 1.00 0.00 H new ATOM 0 HA GLN A 35 3.653 8.090 -5.573 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.381 7.171 -4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.342 6.593 -3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.469 4.518 -3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.689 5.044 -5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.835 3.045 -4.798 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.159 3.469 -5.889 1.00 0.00 H new ATOM 457 N ASP A 36 1.837 6.738 -6.540 1.00 0.00 N ATOM 458 CA ASP A 36 0.768 5.935 -7.145 1.00 0.00 C ATOM 459 C ASP A 36 1.205 4.475 -7.180 1.00 0.00 C ATOM 460 O ASP A 36 2.128 4.100 -7.914 1.00 0.00 O ATOM 461 CB ASP A 36 0.410 6.436 -8.548 1.00 0.00 C ATOM 462 CG ASP A 36 -0.335 7.758 -8.522 1.00 0.00 C ATOM 463 OD1 ASP A 36 0.283 8.778 -8.155 1.00 0.00 O ATOM 464 OD2 ASP A 36 -1.534 7.771 -8.870 1.00 0.00 O1- ATOM 0 H ASP A 36 2.333 7.343 -7.195 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.132 6.031 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.322 6.549 -9.134 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.202 5.688 -9.052 1.00 0.00 H new ATOM 469 N VAL A 37 0.534 3.674 -6.365 1.00 0.00 N ATOM 470 CA VAL A 37 0.856 2.261 -6.222 1.00 0.00 C ATOM 471 C VAL A 37 -0.256 1.348 -6.715 1.00 0.00 C ATOM 472 O VAL A 37 -1.395 1.778 -6.918 1.00 0.00 O ATOM 473 CB VAL A 37 1.141 1.905 -4.734 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.465 2.501 -4.284 1.00 0.00 C ATOM 475 CG2 VAL A 37 -0.008 2.343 -3.805 1.00 0.00 C ATOM 0 H VAL A 37 -0.246 3.984 -5.786 1.00 0.00 H new ATOM 0 HA VAL A 37 1.741 2.098 -6.836 1.00 0.00 H new ATOM 0 HB VAL A 37 1.210 0.819 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.645 2.241 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.271 2.105 -4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.429 3.586 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.233 2.075 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.142 3.422 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.929 1.842 -4.104 1.00 0.00 H new ATOM 485 N LEU A 38 0.111 0.084 -6.898 1.00 0.00 N ATOM 486 CA LEU A 38 -0.815 -0.941 -7.316 1.00 0.00 C ATOM 487 C LEU A 38 -0.886 -1.996 -6.230 1.00 0.00 C ATOM 488 O LEU A 38 0.001 -2.846 -6.090 1.00 0.00 O ATOM 489 CB LEU A 38 -0.389 -1.532 -8.662 1.00 0.00 C ATOM 490 CG LEU A 38 -0.507 -0.573 -9.852 1.00 0.00 C ATOM 491 CD1 LEU A 38 0.261 -1.107 -11.050 1.00 0.00 C ATOM 492 CD2 LEU A 38 -1.969 -0.344 -10.207 1.00 0.00 C ATOM 0 H LEU A 38 1.064 -0.251 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.809 -0.518 -7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.645 -1.867 -8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.996 -2.415 -8.863 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.069 0.384 -9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.164 -0.411 -11.884 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.314 -1.216 -10.788 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.143 -2.077 -11.338 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.035 0.339 -11.054 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.433 -1.295 -10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.488 0.088 -9.351 1.00 0.00 H new ATOM 504 N ALA A 39 -1.959 -1.903 -5.454 1.00 0.00 N ATOM 505 CA ALA A 39 -2.207 -2.804 -4.346 1.00 0.00 C ATOM 506 C ALA A 39 -3.064 -3.979 -4.805 1.00 0.00 C ATOM 507 O ALA A 39 -4.261 -3.831 -5.072 1.00 0.00 O ATOM 508 CB ALA A 39 -2.881 -2.033 -3.218 1.00 0.00 C ATOM 0 H ALA A 39 -2.683 -1.195 -5.580 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.264 -3.208 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.071 -2.705 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.230 -1.222 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.825 -1.620 -3.573 1.00 0.00 H new ATOM 514 N ARG A 40 -2.427 -5.144 -4.915 1.00 0.00 N ATOM 515 CA ARG A 40 -3.099 -6.368 -5.351 1.00 0.00 C ATOM 516 C ARG A 40 -4.048 -6.885 -4.263 1.00 0.00 C ATOM 517 O ARG A 40 -3.621 -7.149 -3.133 1.00 0.00 O ATOM 518 CB ARG A 40 -2.048 -7.429 -5.677 1.00 0.00 C ATOM 519 CG ARG A 40 -2.273 -8.161 -6.997 1.00 0.00 C ATOM 520 CD ARG A 40 -0.958 -8.427 -7.714 1.00 0.00 C ATOM 521 NE ARG A 40 -1.132 -9.299 -8.881 1.00 0.00 N ATOM 522 CZ ARG A 40 -0.140 -9.962 -9.493 1.00 0.00 C ATOM 523 NH1 ARG A 40 1.118 -9.870 -9.064 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 -0.412 -10.722 -10.545 1.00 0.00 N ATOM 0 H ARG A 40 -1.436 -5.266 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.690 -6.150 -6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.067 -6.954 -5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.027 -8.161 -4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.784 -9.105 -6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.925 -7.567 -7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.521 -7.480 -8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.254 -8.887 -7.020 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.075 -9.409 -9.254 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.340 -9.288 -8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.859 -10.382 -9.543 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.371 -10.799 -10.884 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.338 -11.229 -11.015 1.00 0.00 H new ATOM 538 N TRP A 41 -5.332 -7.013 -4.612 1.00 0.00 N ATOM 539 CA TRP A 41 -6.351 -7.482 -3.668 1.00 0.00 C ATOM 540 C TRP A 41 -6.501 -9.013 -3.720 1.00 0.00 C ATOM 541 O TRP A 41 -6.111 -9.653 -4.701 1.00 0.00 O ATOM 542 CB TRP A 41 -7.687 -6.755 -3.926 1.00 0.00 C ATOM 543 CG TRP A 41 -8.682 -6.871 -2.795 1.00 0.00 C ATOM 544 CD1 TRP A 41 -9.943 -7.386 -2.875 1.00 0.00 C ATOM 545 CD2 TRP A 41 -8.507 -6.461 -1.424 1.00 0.00 C ATOM 546 NE1 TRP A 41 -10.559 -7.331 -1.649 1.00 0.00 N ATOM 547 CE2 TRP A 41 -9.701 -6.768 -0.744 1.00 0.00 C ATOM 548 CE3 TRP A 41 -7.460 -5.867 -0.704 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -9.876 -6.506 0.613 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -7.637 -5.609 0.641 1.00 0.00 C ATOM 551 CH2 TRP A 41 -8.837 -5.928 1.288 1.00 0.00 C ATOM 0 H TRP A 41 -5.691 -6.798 -5.542 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.029 -7.238 -2.656 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.484 -5.700 -4.110 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.137 -7.156 -4.834 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.392 -7.781 -3.774 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -11.504 -7.657 -1.446 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.531 -5.616 -1.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -10.801 -6.751 1.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.836 -5.153 1.204 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.944 -5.713 2.341 1.00 0.00 H new ATOM 562 N THR A 42 -7.075 -9.577 -2.643 1.00 0.00 N ATOM 563 CA THR A 42 -7.260 -11.036 -2.493 1.00 0.00 C ATOM 564 C THR A 42 -8.337 -11.638 -3.427 1.00 0.00 C ATOM 565 O THR A 42 -8.516 -12.860 -3.449 1.00 0.00 O ATOM 566 CB THR A 42 -7.561 -11.413 -1.006 1.00 0.00 C ATOM 567 OG1 THR A 42 -7.714 -12.833 -0.871 1.00 0.00 O ATOM 568 CG2 THR A 42 -8.812 -10.714 -0.460 1.00 0.00 C ATOM 0 H THR A 42 -7.424 -9.037 -1.851 1.00 0.00 H new ATOM 0 HA THR A 42 -6.312 -11.479 -2.799 1.00 0.00 H new ATOM 0 HB THR A 42 -6.708 -11.071 -0.420 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.890 -13.228 -1.750 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.973 -11.013 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.676 -9.634 -0.509 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.678 -10.998 -1.058 1.00 0.00 H new ATOM 576 N ASP A 43 -9.034 -10.789 -4.192 1.00 0.00 N ATOM 577 CA ASP A 43 -10.073 -11.259 -5.119 1.00 0.00 C ATOM 578 C ASP A 43 -9.489 -11.517 -6.514 1.00 0.00 C ATOM 579 O ASP A 43 -10.215 -11.882 -7.447 1.00 0.00 O ATOM 580 CB ASP A 43 -11.217 -10.241 -5.209 1.00 0.00 C ATOM 581 CG ASP A 43 -12.078 -10.217 -3.959 1.00 0.00 C ATOM 582 OD1 ASP A 43 -11.543 -9.912 -2.872 1.00 0.00 O1- ATOM 583 OD2 ASP A 43 -13.289 -10.504 -4.068 1.00 0.00 O ATOM 0 H ASP A 43 -8.899 -9.778 -4.188 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.467 -12.198 -4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.802 -9.248 -5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.841 -10.477 -6.071 1.00 0.00 H new ATOM 588 N GLY A 44 -8.166 -11.338 -6.636 1.00 0.00 N ATOM 589 CA GLY A 44 -7.483 -11.536 -7.906 1.00 0.00 C ATOM 590 C GLY A 44 -7.395 -10.259 -8.728 1.00 0.00 C ATOM 591 O GLY A 44 -6.686 -10.212 -9.737 1.00 0.00 O ATOM 0 H GLY A 44 -7.556 -11.057 -5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.478 -11.913 -7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.008 -12.299 -8.481 1.00 0.00 H new ATOM 595 N LEU A 45 -8.124 -9.226 -8.286 1.00 0.00 N ATOM 596 CA LEU A 45 -8.151 -7.933 -8.964 1.00 0.00 C ATOM 597 C LEU A 45 -7.160 -6.957 -8.335 1.00 0.00 C ATOM 598 O LEU A 45 -6.875 -7.030 -7.136 1.00 0.00 O ATOM 599 CB LEU A 45 -9.561 -7.342 -8.916 1.00 0.00 C ATOM 600 CG LEU A 45 -10.609 -8.108 -9.725 1.00 0.00 C ATOM 601 CD1 LEU A 45 -11.803 -8.454 -8.854 1.00 0.00 C ATOM 602 CD2 LEU A 45 -11.042 -7.302 -10.939 1.00 0.00 C ATOM 0 H LEU A 45 -8.708 -9.267 -7.451 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.860 -8.093 -10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.886 -7.299 -7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.521 -6.315 -9.280 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.162 -9.038 -10.077 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.539 -8.999 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.477 -9.075 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.252 -7.537 -8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.788 -7.864 -11.502 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.471 -6.355 -10.613 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.178 -7.109 -11.575 1.00 0.00 H new ATOM 614 N LEU A 46 -6.645 -6.047 -9.165 1.00 0.00 N ATOM 615 CA LEU A 46 -5.684 -5.030 -8.741 1.00 0.00 C ATOM 616 C LEU A 46 -6.407 -3.773 -8.226 1.00 0.00 C ATOM 617 O LEU A 46 -7.588 -3.567 -8.519 1.00 0.00 O ATOM 618 CB LEU A 46 -4.781 -4.679 -9.937 1.00 0.00 C ATOM 619 CG LEU A 46 -3.590 -3.757 -9.677 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.532 -4.441 -8.818 1.00 0.00 C ATOM 621 CD2 LEU A 46 -3.014 -3.333 -11.009 1.00 0.00 C ATOM 0 H LEU A 46 -6.885 -5.996 -10.155 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.080 -5.421 -7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.400 -5.611 -10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.403 -4.217 -10.703 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.926 -2.881 -9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.700 -3.757 -8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.967 -4.721 -7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.172 -5.335 -9.328 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.162 -2.674 -10.844 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.689 -4.214 -11.562 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.775 -2.805 -11.583 1.00 0.00 H new ATOM 633 N TYR A 47 -5.669 -2.937 -7.483 1.00 0.00 N ATOM 634 CA TYR A 47 -6.206 -1.699 -6.911 1.00 0.00 C ATOM 635 C TYR A 47 -5.201 -0.566 -7.098 1.00 0.00 C ATOM 636 O TYR A 47 -4.019 -0.726 -6.781 1.00 0.00 O ATOM 637 CB TYR A 47 -6.490 -1.858 -5.398 1.00 0.00 C ATOM 638 CG TYR A 47 -7.744 -2.638 -4.976 1.00 0.00 C ATOM 639 CD1 TYR A 47 -8.702 -3.104 -5.879 1.00 0.00 C ATOM 640 CD2 TYR A 47 -7.963 -2.888 -3.624 1.00 0.00 C ATOM 641 CE1 TYR A 47 -9.822 -3.789 -5.448 1.00 0.00 C ATOM 642 CE2 TYR A 47 -9.081 -3.573 -3.190 1.00 0.00 C ATOM 643 CZ TYR A 47 -10.007 -4.020 -4.105 1.00 0.00 C ATOM 644 OH TYR A 47 -11.122 -4.700 -3.674 1.00 0.00 O ATOM 0 H TYR A 47 -4.687 -3.101 -7.263 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.139 -1.472 -7.426 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.626 -2.345 -4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.556 -0.860 -4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.565 -2.925 -6.935 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.243 -2.539 -2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.550 -4.142 -6.164 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.228 -3.757 -2.136 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.860 -5.589 -3.355 1.00 0.00 H new ATOM 654 N LEU A 48 -5.668 0.572 -7.620 1.00 0.00 N ATOM 655 CA LEU A 48 -4.805 1.738 -7.822 1.00 0.00 C ATOM 656 C LEU A 48 -4.938 2.685 -6.633 1.00 0.00 C ATOM 657 O LEU A 48 -6.053 2.989 -6.196 1.00 0.00 O ATOM 658 CB LEU A 48 -5.146 2.453 -9.146 1.00 0.00 C ATOM 659 CG LEU A 48 -4.387 3.767 -9.434 1.00 0.00 C ATOM 660 CD1 LEU A 48 -2.964 3.492 -9.907 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.139 4.597 -10.462 1.00 0.00 C ATOM 0 H LEU A 48 -6.636 0.710 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.769 1.406 -7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.955 1.761 -9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.215 2.668 -9.153 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.326 4.331 -8.503 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.456 4.437 -10.101 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.424 2.942 -9.136 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.993 2.901 -10.822 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.592 5.520 -10.655 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.233 4.031 -11.389 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.132 4.836 -10.081 1.00 0.00 H new ATOM 673 N GLY A 49 -3.794 3.141 -6.125 1.00 0.00 N ATOM 674 CA GLY A 49 -3.796 4.037 -4.979 1.00 0.00 C ATOM 675 C GLY A 49 -2.587 4.947 -4.904 1.00 0.00 C ATOM 676 O GLY A 49 -1.725 4.924 -5.780 1.00 0.00 O ATOM 0 H GLY A 49 -2.869 2.907 -6.485 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.697 4.649 -5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.847 3.443 -4.067 1.00 0.00 H new ATOM 680 N THR A 50 -2.564 5.772 -3.855 1.00 0.00 N ATOM 681 CA THR A 50 -1.465 6.696 -3.587 1.00 0.00 C ATOM 682 C THR A 50 -1.044 6.542 -2.136 1.00 0.00 C ATOM 683 O THR A 50 -1.891 6.442 -1.247 1.00 0.00 O ATOM 684 CB THR A 50 -1.822 8.172 -3.876 1.00 0.00 C ATOM 685 OG1 THR A 50 -3.116 8.272 -4.489 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.774 8.800 -4.787 1.00 0.00 C ATOM 0 H THR A 50 -3.313 5.816 -3.164 1.00 0.00 H new ATOM 0 HA THR A 50 -0.649 6.441 -4.263 1.00 0.00 H new ATOM 0 HB THR A 50 -1.841 8.708 -2.927 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.324 9.214 -4.662 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.038 9.839 -4.982 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.201 8.758 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.735 8.252 -5.729 1.00 0.00 H new ATOM 694 N ILE A 51 0.266 6.537 -1.904 1.00 0.00 N ATOM 695 CA ILE A 51 0.835 6.329 -0.565 1.00 0.00 C ATOM 696 C ILE A 51 0.573 7.494 0.393 1.00 0.00 C ATOM 697 O ILE A 51 1.018 8.620 0.173 1.00 0.00 O ATOM 698 CB ILE A 51 2.361 6.012 -0.663 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.581 4.768 -1.560 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.012 5.812 0.716 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.037 3.467 -0.984 1.00 0.00 C ATOM 0 H ILE A 51 0.966 6.676 -2.633 1.00 0.00 H new ATOM 0 HA ILE A 51 0.320 5.469 -0.137 1.00 0.00 H new ATOM 0 HB ILE A 51 2.849 6.876 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.111 4.946 -2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.649 4.651 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.073 5.594 0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.896 6.720 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.530 4.980 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.235 2.651 -1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.524 3.259 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.962 3.559 -0.830 1.00 0.00 H new ATOM 713 N LYS A 52 -0.168 7.177 1.456 1.00 0.00 N ATOM 714 CA LYS A 52 -0.500 8.138 2.505 1.00 0.00 C ATOM 715 C LYS A 52 0.465 7.996 3.687 1.00 0.00 C ATOM 716 O LYS A 52 0.705 8.961 4.417 1.00 0.00 O ATOM 717 CB LYS A 52 -1.942 7.924 2.978 1.00 0.00 C ATOM 718 CG LYS A 52 -2.765 9.204 3.083 1.00 0.00 C ATOM 719 CD LYS A 52 -2.777 9.743 4.505 1.00 0.00 C ATOM 720 CE LYS A 52 -3.498 11.078 4.588 1.00 0.00 C ATOM 721 NZ LYS A 52 -3.334 11.715 5.924 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.554 6.246 1.612 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.405 9.144 2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.440 7.241 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.924 7.437 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.355 9.958 2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.787 9.009 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.264 9.024 5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.753 9.859 4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.114 11.747 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.559 10.931 4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.840 12.623 5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.723 11.089 6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.324 11.879 6.109 1.00 0.00 H new ATOM 735 N LYS A 53 1.013 6.778 3.863 1.00 0.00 N ATOM 736 CA LYS A 53 1.957 6.481 4.946 1.00 0.00 C ATOM 737 C LYS A 53 2.965 5.425 4.492 1.00 0.00 C ATOM 738 O LYS A 53 2.698 4.667 3.553 1.00 0.00 O ATOM 739 CB LYS A 53 1.218 6.001 6.209 1.00 0.00 C ATOM 740 CG LYS A 53 1.530 6.811 7.470 1.00 0.00 C ATOM 741 CD LYS A 53 2.796 6.327 8.181 1.00 0.00 C ATOM 742 CE LYS A 53 3.976 7.251 7.910 1.00 0.00 C ATOM 743 NZ LYS A 53 3.924 8.482 8.748 1.00 0.00 N1+ ATOM 0 H LYS A 53 0.812 5.980 3.260 1.00 0.00 H new ATOM 0 HA LYS A 53 2.490 7.399 5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.145 6.039 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.473 4.957 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.646 7.861 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.685 6.748 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.614 6.273 9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.039 5.318 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.906 6.718 8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.984 7.530 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.745 9.083 8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.049 9.005 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.942 8.218 9.754 1.00 0.00 H new ATOM 757 N VAL A 54 4.118 5.378 5.169 1.00 0.00 N ATOM 758 CA VAL A 54 5.185 4.426 4.829 1.00 0.00 C ATOM 759 C VAL A 54 5.762 3.770 6.088 1.00 0.00 C ATOM 760 O VAL A 54 6.038 4.443 7.086 1.00 0.00 O ATOM 761 CB VAL A 54 6.335 5.111 4.012 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.491 4.150 3.731 1.00 0.00 C ATOM 763 CG2 VAL A 54 5.814 5.667 2.690 1.00 0.00 C ATOM 0 H VAL A 54 4.337 5.988 5.956 1.00 0.00 H new ATOM 0 HA VAL A 54 4.734 3.655 4.204 1.00 0.00 H new ATOM 0 HB VAL A 54 6.707 5.929 4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.264 4.667 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.908 3.797 4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.126 3.300 3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.633 6.136 2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.398 4.856 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.038 6.407 2.887 1.00 0.00 H new ATOM 773 N ASP A 55 5.929 2.449 6.009 1.00 0.00 N ATOM 774 CA ASP A 55 6.494 1.649 7.093 1.00 0.00 C ATOM 775 C ASP A 55 7.713 0.874 6.571 1.00 0.00 C ATOM 776 O ASP A 55 7.612 -0.298 6.187 1.00 0.00 O ATOM 777 CB ASP A 55 5.433 0.697 7.667 1.00 0.00 C ATOM 778 CG ASP A 55 4.645 1.326 8.800 1.00 0.00 C ATOM 779 OD1 ASP A 55 3.659 2.037 8.514 1.00 0.00 O ATOM 780 OD2 ASP A 55 5.014 1.106 9.973 1.00 0.00 O1- ATOM 0 H ASP A 55 5.674 1.903 5.186 1.00 0.00 H new ATOM 0 HA ASP A 55 6.817 2.306 7.900 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.748 0.399 6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.919 -0.210 8.026 1.00 0.00 H new ATOM 785 N SER A 56 8.868 1.558 6.552 1.00 0.00 N ATOM 786 CA SER A 56 10.131 0.982 6.064 1.00 0.00 C ATOM 787 C SER A 56 10.781 0.011 7.070 1.00 0.00 C ATOM 788 O SER A 56 11.859 -0.533 6.803 1.00 0.00 O ATOM 789 CB SER A 56 11.108 2.114 5.726 1.00 0.00 C ATOM 790 OG SER A 56 12.165 1.649 4.905 1.00 0.00 O ATOM 0 H SER A 56 8.953 2.522 6.873 1.00 0.00 H new ATOM 0 HA SER A 56 9.897 0.399 5.173 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.576 2.918 5.218 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.516 2.533 6.646 1.00 0.00 H new ATOM 0 HG SER A 56 12.634 2.414 4.510 1.00 0.00 H new ATOM 796 N ALA A 57 10.115 -0.213 8.209 1.00 0.00 N ATOM 797 CA ALA A 57 10.625 -1.115 9.246 1.00 0.00 C ATOM 798 C ALA A 57 10.129 -2.550 9.041 1.00 0.00 C ATOM 799 O ALA A 57 10.901 -3.504 9.181 1.00 0.00 O ATOM 800 CB ALA A 57 10.233 -0.607 10.627 1.00 0.00 C ATOM 0 H ALA A 57 9.219 0.220 8.435 1.00 0.00 H new ATOM 0 HA ALA A 57 11.712 -1.129 9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.618 -1.286 11.387 1.00 0.00 H new ATOM 0 HB2 ALA A 57 10.653 0.387 10.782 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.147 -0.557 10.702 1.00 0.00 H new ATOM 806 N ARG A 58 8.838 -2.690 8.712 1.00 0.00 N ATOM 807 CA ARG A 58 8.222 -4.001 8.487 1.00 0.00 C ATOM 808 C ARG A 58 7.920 -4.242 6.998 1.00 0.00 C ATOM 809 O ARG A 58 7.270 -5.233 6.642 1.00 0.00 O ATOM 810 CB ARG A 58 6.931 -4.122 9.316 1.00 0.00 C ATOM 811 CG ARG A 58 7.162 -4.225 10.822 1.00 0.00 C ATOM 812 CD ARG A 58 7.400 -5.665 11.267 1.00 0.00 C ATOM 813 NE ARG A 58 6.213 -6.247 11.904 1.00 0.00 N ATOM 814 CZ ARG A 58 5.850 -7.534 11.813 1.00 0.00 C ATOM 815 NH1 ARG A 58 6.572 -8.406 11.111 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 4.754 -7.952 12.433 1.00 0.00 N ATOM 0 H ARG A 58 8.198 -1.905 8.596 1.00 0.00 H new ATOM 0 HA ARG A 58 8.933 -4.763 8.806 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.301 -3.256 9.115 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.380 -5.002 8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.020 -3.613 11.100 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.298 -3.821 11.350 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.681 -6.269 10.405 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.237 -5.695 11.964 1.00 0.00 H new ATOM 0 HE ARG A 58 5.621 -5.627 12.456 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.418 -8.098 10.631 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.279 -9.381 11.054 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.193 -7.295 12.975 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.473 -8.930 12.367 1.00 0.00 H new ATOM 830 N GLU A 59 8.413 -3.336 6.122 1.00 0.00 N ATOM 831 CA GLU A 59 8.203 -3.415 4.652 1.00 0.00 C ATOM 832 C GLU A 59 6.710 -3.320 4.293 1.00 0.00 C ATOM 833 O GLU A 59 6.171 -4.139 3.537 1.00 0.00 O ATOM 834 CB GLU A 59 8.841 -4.691 4.058 1.00 0.00 C ATOM 835 CG GLU A 59 10.364 -4.656 4.013 1.00 0.00 C ATOM 836 CD GLU A 59 10.899 -4.045 2.731 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.729 -4.664 1.659 1.00 0.00 O ATOM 838 OE2 GLU A 59 11.491 -2.948 2.801 1.00 0.00 O1- ATOM 0 H GLU A 59 8.967 -2.530 6.411 1.00 0.00 H new ATOM 0 HA GLU A 59 8.705 -2.557 4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.524 -5.552 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.461 -4.839 3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.735 -4.086 4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.750 -5.670 4.116 1.00 0.00 H new ATOM 845 N VAL A 60 6.058 -2.296 4.856 1.00 0.00 N ATOM 846 CA VAL A 60 4.627 -2.042 4.633 1.00 0.00 C ATOM 847 C VAL A 60 4.402 -0.547 4.361 1.00 0.00 C ATOM 848 O VAL A 60 5.262 0.279 4.669 1.00 0.00 O ATOM 849 CB VAL A 60 3.754 -2.476 5.855 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.289 -2.656 5.463 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.267 -3.762 6.505 1.00 0.00 C ATOM 0 H VAL A 60 6.504 -1.621 5.477 1.00 0.00 H new ATOM 0 HA VAL A 60 4.322 -2.637 3.772 1.00 0.00 H new ATOM 0 HB VAL A 60 3.832 -1.668 6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.713 -2.958 6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.897 -1.715 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.210 -3.424 4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.628 -4.023 7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.251 -4.571 5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.288 -3.610 6.856 1.00 0.00 H new ATOM 861 N CYS A 61 3.249 -0.215 3.755 1.00 0.00 N ATOM 862 CA CYS A 61 2.887 1.175 3.444 1.00 0.00 C ATOM 863 C CYS A 61 1.380 1.340 3.380 1.00 0.00 C ATOM 864 O CYS A 61 0.669 0.437 2.929 1.00 0.00 O ATOM 865 CB CYS A 61 3.484 1.624 2.106 1.00 0.00 C ATOM 866 SG CYS A 61 5.156 2.295 2.242 1.00 0.00 S ATOM 0 H CYS A 61 2.548 -0.898 3.470 1.00 0.00 H new ATOM 0 HA CYS A 61 3.293 1.794 4.244 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.498 0.776 1.422 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.834 2.379 1.664 1.00 0.00 H new ATOM 0 HG CYS A 61 5.345 3.181 1.310 1.00 0.00 H new ATOM 872 N LEU A 62 0.903 2.501 3.835 1.00 0.00 N ATOM 873 CA LEU A 62 -0.518 2.815 3.796 1.00 0.00 C ATOM 874 C LEU A 62 -0.799 3.643 2.561 1.00 0.00 C ATOM 875 O LEU A 62 -0.060 4.583 2.261 1.00 0.00 O ATOM 876 CB LEU A 62 -0.977 3.580 5.046 1.00 0.00 C ATOM 877 CG LEU A 62 -2.328 3.147 5.675 1.00 0.00 C ATOM 878 CD1 LEU A 62 -3.436 2.999 4.624 1.00 0.00 C ATOM 879 CD2 LEU A 62 -2.167 1.858 6.468 1.00 0.00 C ATOM 0 H LEU A 62 1.485 3.237 4.234 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.073 1.878 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.202 3.484 5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.044 4.638 4.791 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.632 3.942 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.362 2.695 5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.588 3.953 4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.146 2.244 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.127 1.574 6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.818 1.065 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.441 2.010 7.267 1.00 0.00 H new ATOM 891 N VAL A 63 -1.861 3.288 1.851 1.00 0.00 N ATOM 892 CA VAL A 63 -2.215 3.975 0.619 1.00 0.00 C ATOM 893 C VAL A 63 -3.716 4.254 0.543 1.00 0.00 C ATOM 894 O VAL A 63 -4.536 3.458 1.016 1.00 0.00 O ATOM 895 CB VAL A 63 -1.716 3.177 -0.647 1.00 0.00 C ATOM 896 CG1 VAL A 63 -1.079 1.846 -0.269 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.819 2.944 -1.669 1.00 0.00 C ATOM 0 H VAL A 63 -2.492 2.528 2.108 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.704 4.938 0.625 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.958 3.811 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.750 1.331 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.222 2.024 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.809 1.229 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.417 2.391 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.625 2.371 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.206 3.904 -2.012 1.00 0.00 H new ATOM 907 N GLN A 64 -4.046 5.407 -0.045 1.00 0.00 N ATOM 908 CA GLN A 64 -5.430 5.817 -0.257 1.00 0.00 C ATOM 909 C GLN A 64 -5.816 5.430 -1.685 1.00 0.00 C ATOM 910 O GLN A 64 -4.969 5.458 -2.584 1.00 0.00 O ATOM 911 CB GLN A 64 -5.604 7.328 -0.038 1.00 0.00 C ATOM 912 CG GLN A 64 -7.045 7.755 0.254 1.00 0.00 C ATOM 913 CD GLN A 64 -7.180 8.536 1.548 1.00 0.00 C ATOM 914 OE1 GLN A 64 -6.585 9.602 1.712 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.972 8.010 2.476 1.00 0.00 N ATOM 0 H GLN A 64 -3.359 6.080 -0.386 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.079 5.317 0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.969 7.640 0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.253 7.856 -0.925 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.412 8.364 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.678 6.869 0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.446 7.124 2.299 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.106 8.492 3.365 1.00 0.00 H new ATOM 924 N PHE A 65 -7.079 5.082 -1.897 1.00 0.00 N ATOM 925 CA PHE A 65 -7.528 4.634 -3.209 1.00 0.00 C ATOM 926 C PHE A 65 -8.531 5.591 -3.856 1.00 0.00 C ATOM 927 O PHE A 65 -8.948 6.578 -3.242 1.00 0.00 O ATOM 928 CB PHE A 65 -8.083 3.213 -3.064 1.00 0.00 C ATOM 929 CG PHE A 65 -7.063 2.244 -2.506 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.741 2.235 -1.155 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.414 1.366 -3.341 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.793 1.364 -0.660 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.466 0.492 -2.853 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.154 0.491 -1.512 1.00 0.00 C ATOM 0 H PHE A 65 -7.806 5.101 -1.182 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.679 4.627 -3.893 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.955 3.233 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.421 2.858 -4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.239 2.919 -0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.650 1.361 -4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.553 1.367 0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.968 -0.193 -3.523 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.410 -0.192 -1.129 1.00 0.00 H new ATOM 944 N GLU A 66 -8.914 5.281 -5.114 1.00 0.00 N ATOM 945 CA GLU A 66 -9.836 6.113 -5.897 1.00 0.00 C ATOM 946 C GLU A 66 -11.243 6.167 -5.299 1.00 0.00 C ATOM 947 O GLU A 66 -11.880 7.225 -5.327 1.00 0.00 O ATOM 948 CB GLU A 66 -9.907 5.610 -7.340 1.00 0.00 C ATOM 949 CG GLU A 66 -10.007 6.731 -8.374 1.00 0.00 C ATOM 950 CD GLU A 66 -8.653 7.263 -8.835 1.00 0.00 C ATOM 951 OE1 GLU A 66 -7.664 6.495 -8.826 1.00 0.00 O ATOM 952 OE2 GLU A 66 -8.587 8.450 -9.220 1.00 0.00 O1- ATOM 0 H GLU A 66 -8.591 4.449 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.437 7.127 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.022 5.010 -7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.770 4.952 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.558 6.366 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.585 7.553 -7.951 1.00 0.00 H new ATOM 959 N ASP A 67 -11.728 5.038 -4.761 1.00 0.00 N ATOM 960 CA ASP A 67 -13.064 5.004 -4.170 1.00 0.00 C ATOM 961 C ASP A 67 -13.022 5.353 -2.661 1.00 0.00 C ATOM 962 O ASP A 67 -13.829 4.859 -1.864 1.00 0.00 O ATOM 963 CB ASP A 67 -13.722 3.640 -4.458 1.00 0.00 C ATOM 964 CG ASP A 67 -15.218 3.623 -4.186 1.00 0.00 C ATOM 965 OD1 ASP A 67 -15.976 4.202 -4.992 1.00 0.00 O ATOM 966 OD2 ASP A 67 -15.628 3.030 -3.166 1.00 0.00 O1- ATOM 0 H ASP A 67 -11.222 4.153 -4.725 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.685 5.772 -4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.546 3.373 -5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.240 2.876 -3.848 1.00 0.00 H new ATOM 971 N ASP A 68 -12.059 6.236 -2.287 1.00 0.00 N ATOM 972 CA ASP A 68 -11.874 6.734 -0.902 1.00 0.00 C ATOM 973 C ASP A 68 -11.718 5.608 0.137 1.00 0.00 C ATOM 974 O ASP A 68 -12.505 5.499 1.087 1.00 0.00 O ATOM 975 CB ASP A 68 -13.018 7.691 -0.508 1.00 0.00 C ATOM 976 CG ASP A 68 -12.798 9.100 -1.025 1.00 0.00 C ATOM 977 OD1 ASP A 68 -11.993 9.836 -0.419 1.00 0.00 O ATOM 978 OD2 ASP A 68 -13.432 9.466 -2.038 1.00 0.00 O1- ATOM 0 H ASP A 68 -11.384 6.624 -2.946 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.933 7.283 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.960 7.307 -0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.110 7.716 0.578 1.00 0.00 H new ATOM 983 N SER A 69 -10.696 4.771 -0.059 1.00 0.00 N ATOM 984 CA SER A 69 -10.423 3.662 0.854 1.00 0.00 C ATOM 985 C SER A 69 -9.004 3.724 1.396 1.00 0.00 C ATOM 986 O SER A 69 -8.065 4.048 0.667 1.00 0.00 O ATOM 987 CB SER A 69 -10.643 2.317 0.152 1.00 0.00 C ATOM 988 OG SER A 69 -11.230 1.374 1.032 1.00 0.00 O ATOM 0 H SER A 69 -10.045 4.841 -0.841 1.00 0.00 H new ATOM 0 HA SER A 69 -11.117 3.752 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.286 2.457 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.691 1.934 -0.214 1.00 0.00 H new ATOM 0 HG SER A 69 -11.362 0.525 0.561 1.00 0.00 H new ATOM 994 N GLN A 70 -8.870 3.441 2.693 1.00 0.00 N ATOM 995 CA GLN A 70 -7.570 3.405 3.351 1.00 0.00 C ATOM 996 C GLN A 70 -7.237 1.950 3.654 1.00 0.00 C ATOM 997 O GLN A 70 -7.679 1.387 4.664 1.00 0.00 O ATOM 998 CB GLN A 70 -7.568 4.258 4.627 1.00 0.00 C ATOM 999 CG GLN A 70 -7.004 5.658 4.421 1.00 0.00 C ATOM 1000 CD GLN A 70 -5.490 5.708 4.509 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.919 5.676 5.600 1.00 0.00 O ATOM 1002 NE2 GLN A 70 -4.832 5.785 3.359 1.00 0.00 N ATOM 0 H GLN A 70 -9.655 3.232 3.310 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.809 3.829 2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.588 4.337 5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.984 3.749 5.394 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.318 6.030 3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.428 6.328 5.169 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.346 5.809 2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.813 5.820 3.356 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.466 1.346 2.752 1.00 0.00 N ATOM 1012 CA PHE A 71 -6.108 -0.062 2.864 1.00 0.00 C ATOM 1013 C PHE A 71 -4.601 -0.254 3.021 1.00 0.00 C ATOM 1014 O PHE A 71 -3.810 0.205 2.191 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.642 -0.805 1.620 1.00 0.00 C ATOM 1016 CG PHE A 71 -8.044 -1.388 1.732 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.890 -1.119 2.812 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.518 -2.211 0.723 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -10.158 -1.663 2.872 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.787 -2.755 0.782 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.607 -2.482 1.858 1.00 0.00 C ATOM 0 H PHE A 71 -6.077 1.814 1.933 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.564 -0.477 3.763 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.625 -0.115 0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.952 -1.615 1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.547 -0.477 3.610 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.885 -2.431 -0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.799 -1.447 3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -10.137 -3.394 -0.015 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.598 -2.909 1.906 1.00 0.00 H new ATOM 1031 N LEU A 72 -4.228 -0.943 4.113 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.829 -1.240 4.446 1.00 0.00 C ATOM 1033 C LEU A 72 -2.280 -2.335 3.514 1.00 0.00 C ATOM 1034 O LEU A 72 -2.753 -3.477 3.541 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.750 -1.684 5.918 1.00 0.00 C ATOM 1036 CG LEU A 72 -1.342 -1.889 6.492 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -1.211 -1.216 7.847 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -1.029 -3.374 6.604 1.00 0.00 C ATOM 0 H LEU A 72 -4.895 -1.311 4.792 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.219 -0.347 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.263 -0.940 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.302 -2.618 6.024 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.623 -1.431 5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.205 -1.374 8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.396 -0.147 7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.938 -1.644 8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.027 -3.505 7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.755 -3.850 7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.081 -3.832 5.616 1.00 0.00 H new ATOM 1050 N VAL A 73 -1.295 -1.968 2.691 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.693 -2.912 1.736 1.00 0.00 C ATOM 1052 C VAL A 73 0.784 -3.159 2.027 1.00 0.00 C ATOM 1053 O VAL A 73 1.484 -2.284 2.542 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.824 -2.449 0.256 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -0.956 -3.652 -0.677 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -1.993 -1.485 0.063 1.00 0.00 C ATOM 0 H VAL A 73 -0.896 -1.030 2.663 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.257 -3.835 1.868 1.00 0.00 H new ATOM 0 HB VAL A 73 0.088 -1.910 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.046 -3.306 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.073 -4.284 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.843 -4.226 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.049 -1.186 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.922 -1.978 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.843 -0.602 0.685 1.00 0.00 H new ATOM 1066 N LEU A 74 1.233 -4.369 1.671 1.00 0.00 N ATOM 1067 CA LEU A 74 2.623 -4.787 1.851 1.00 0.00 C ATOM 1068 C LEU A 74 3.443 -4.438 0.613 1.00 0.00 C ATOM 1069 O LEU A 74 2.913 -4.427 -0.501 1.00 0.00 O ATOM 1070 CB LEU A 74 2.712 -6.311 2.100 1.00 0.00 C ATOM 1071 CG LEU A 74 1.989 -6.885 3.344 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.228 -6.034 4.583 1.00 0.00 C ATOM 1073 CD2 LEU A 74 0.495 -7.052 3.086 1.00 0.00 C ATOM 0 H LEU A 74 0.640 -5.084 1.250 1.00 0.00 H new ATOM 0 HA LEU A 74 3.021 -4.260 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.316 -6.817 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.766 -6.577 2.174 1.00 0.00 H new ATOM 0 HG LEU A 74 2.416 -7.870 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.703 -6.472 5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.296 -5.995 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.856 -5.024 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.015 -7.457 3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.057 -6.083 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.344 -7.736 2.251 1.00 0.00 H new ATOM 1085 N TRP A 75 4.744 -4.180 0.810 1.00 0.00 N ATOM 1086 CA TRP A 75 5.660 -3.831 -0.295 1.00 0.00 C ATOM 1087 C TRP A 75 5.775 -4.960 -1.336 1.00 0.00 C ATOM 1088 O TRP A 75 6.272 -4.735 -2.445 1.00 0.00 O ATOM 1089 CB TRP A 75 7.054 -3.473 0.248 1.00 0.00 C ATOM 1090 CG TRP A 75 7.126 -2.169 1.015 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.098 -1.508 1.637 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.304 -1.374 1.253 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.560 -0.363 2.229 1.00 0.00 N ATOM 1094 CE2 TRP A 75 7.905 -0.256 2.011 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.655 -1.494 0.898 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 8.801 0.727 2.421 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.542 -0.514 1.308 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.110 0.584 2.063 1.00 0.00 C ATOM 0 H TRP A 75 5.191 -4.206 1.727 1.00 0.00 H new ATOM 0 HA TRP A 75 5.234 -2.962 -0.797 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.392 -4.279 0.899 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.752 -3.425 -0.588 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.071 -1.843 1.657 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.991 0.304 2.750 1.00 0.00 H new ATOM 0 HE3 TRP A 75 9.997 -2.336 0.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.471 1.575 3.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.585 -0.597 1.041 1.00 0.00 H new ATOM 0 HH2 TRP A 75 10.827 1.332 2.368 1.00 0.00 H new ATOM 1109 N LYS A 76 5.311 -6.167 -0.967 1.00 0.00 N ATOM 1110 CA LYS A 76 5.344 -7.333 -1.867 1.00 0.00 C ATOM 1111 C LYS A 76 4.095 -7.387 -2.764 1.00 0.00 C ATOM 1112 O LYS A 76 4.161 -7.874 -3.896 1.00 0.00 O ATOM 1113 CB LYS A 76 5.495 -8.654 -1.077 1.00 0.00 C ATOM 1114 CG LYS A 76 4.626 -8.771 0.174 1.00 0.00 C ATOM 1115 CD LYS A 76 4.763 -10.140 0.822 1.00 0.00 C ATOM 1116 CE LYS A 76 4.723 -10.044 2.340 1.00 0.00 C ATOM 1117 NZ LYS A 76 6.044 -9.656 2.907 1.00 0.00 N1+ ATOM 0 H LYS A 76 4.908 -6.360 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 76 6.219 -7.217 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.259 -9.485 -1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.539 -8.766 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.910 -7.999 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.583 -8.594 -0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.959 -10.790 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.701 -10.599 0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.971 -9.313 2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.417 -11.004 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.975 -9.602 3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.757 -10.367 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.325 -8.728 2.530 1.00 0.00 H new ATOM 1131 N ASP A 77 2.968 -6.882 -2.242 1.00 0.00 N ATOM 1132 CA ASP A 77 1.696 -6.852 -2.980 1.00 0.00 C ATOM 1133 C ASP A 77 1.517 -5.526 -3.731 1.00 0.00 C ATOM 1134 O ASP A 77 0.494 -5.314 -4.395 1.00 0.00 O ATOM 1135 CB ASP A 77 0.525 -7.053 -2.015 1.00 0.00 C ATOM 1136 CG ASP A 77 0.018 -8.482 -2.008 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -0.626 -8.887 -2.998 1.00 0.00 O1- ATOM 1138 OD2 ASP A 77 0.264 -9.194 -1.012 1.00 0.00 O ATOM 0 H ASP A 77 2.912 -6.486 -1.304 1.00 0.00 H new ATOM 0 HA ASP A 77 1.715 -7.661 -3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.837 -6.776 -1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.289 -6.383 -2.292 1.00 0.00 H new ATOM 1143 N ILE A 78 2.524 -4.653 -3.636 1.00 0.00 N ATOM 1144 CA ILE A 78 2.475 -3.341 -4.276 1.00 0.00 C ATOM 1145 C ILE A 78 3.312 -3.305 -5.562 1.00 0.00 C ATOM 1146 O ILE A 78 4.412 -3.859 -5.621 1.00 0.00 O ATOM 1147 CB ILE A 78 2.929 -2.223 -3.290 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.916 -2.113 -2.136 1.00 0.00 C ATOM 1149 CG2 ILE A 78 3.071 -0.873 -4.000 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.448 -1.433 -0.894 1.00 0.00 C ATOM 0 H ILE A 78 3.385 -4.835 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 78 1.438 -3.153 -4.554 1.00 0.00 H new ATOM 0 HB ILE A 78 3.908 -2.492 -2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.042 -1.565 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.578 -3.115 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.389 -0.116 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.814 -0.956 -4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.111 -0.585 -4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.667 -1.400 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.303 -1.991 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.758 -0.417 -1.140 1.00 0.00 H new ATOM 1162 N SER A 79 2.753 -2.637 -6.578 1.00 0.00 N ATOM 1163 CA SER A 79 3.402 -2.463 -7.875 1.00 0.00 C ATOM 1164 C SER A 79 3.352 -0.976 -8.274 1.00 0.00 C ATOM 1165 O SER A 79 2.280 -0.477 -8.624 1.00 0.00 O ATOM 1166 CB SER A 79 2.713 -3.328 -8.942 1.00 0.00 C ATOM 1167 OG SER A 79 3.656 -4.122 -9.641 1.00 0.00 O ATOM 0 H SER A 79 1.833 -2.201 -6.519 1.00 0.00 H new ATOM 0 HA SER A 79 4.442 -2.781 -7.801 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.970 -3.971 -8.470 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.180 -2.688 -9.645 1.00 0.00 H new ATOM 0 HG SER A 79 3.193 -4.664 -10.313 1.00 0.00 H new ATOM 1173 N PRO A 80 4.496 -0.220 -8.210 1.00 0.00 N ATOM 1174 CA PRO A 80 4.517 1.219 -8.573 1.00 0.00 C ATOM 1175 C PRO A 80 3.918 1.501 -9.957 1.00 0.00 C ATOM 1176 O PRO A 80 4.368 0.954 -10.969 1.00 0.00 O ATOM 1177 CB PRO A 80 6.008 1.570 -8.536 1.00 0.00 C ATOM 1178 CG PRO A 80 6.581 0.615 -7.553 1.00 0.00 C ATOM 1179 CD PRO A 80 5.837 -0.675 -7.766 1.00 0.00 C ATOM 0 HA PRO A 80 3.908 1.816 -7.894 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.469 1.456 -9.517 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.167 2.603 -8.227 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.651 0.482 -7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.454 0.978 -6.533 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.320 -1.300 -8.517 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.780 -1.264 -6.850 1.00 0.00 H new ATOM 1187 N ALA A 81 2.888 2.358 -9.970 1.00 0.00 N ATOM 1188 CA ALA A 81 2.179 2.735 -11.199 1.00 0.00 C ATOM 1189 C ALA A 81 3.005 3.678 -12.082 1.00 0.00 C ATOM 1190 O ALA A 81 4.016 4.230 -11.639 1.00 0.00 O ATOM 1191 CB ALA A 81 0.843 3.377 -10.845 1.00 0.00 C ATOM 0 H ALA A 81 2.524 2.808 -9.130 1.00 0.00 H new ATOM 0 HA ALA A 81 2.010 1.825 -11.775 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.320 3.656 -11.760 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.237 2.668 -10.281 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.016 4.267 -10.240 1.00 0.00 H new ATOM 1197 N ALA A 82 2.551 3.850 -13.343 1.00 0.00 N ATOM 1198 CA ALA A 82 3.206 4.716 -14.349 1.00 0.00 C ATOM 1199 C ALA A 82 4.597 4.206 -14.727 1.00 0.00 C ATOM 1200 O ALA A 82 5.428 3.940 -13.853 1.00 0.00 O ATOM 1201 CB ALA A 82 3.278 6.172 -13.883 1.00 0.00 C ATOM 0 H ALA A 82 1.712 3.388 -13.694 1.00 0.00 H new ATOM 0 HA ALA A 82 2.583 4.676 -15.242 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.765 6.775 -14.649 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.270 6.549 -13.711 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.850 6.230 -12.957 1.00 0.00 H new ATOM 1207 N LEU A 83 4.835 4.078 -16.037 1.00 0.00 N ATOM 1208 CA LEU A 83 6.116 3.599 -16.556 1.00 0.00 C ATOM 1209 C LEU A 83 6.991 4.764 -17.008 1.00 0.00 C ATOM 1210 CB LEU A 83 5.889 2.636 -17.725 1.00 0.00 C ATOM 1211 CG LEU A 83 5.342 1.260 -17.337 1.00 0.00 C ATOM 1212 CD1 LEU A 83 3.843 1.194 -17.587 1.00 0.00 C ATOM 1213 CD2 LEU A 83 6.061 0.164 -18.111 1.00 0.00 C ATOM 0 H LEU A 83 4.151 4.302 -16.759 1.00 0.00 H new ATOM 0 HA LEU A 83 6.630 3.072 -15.752 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.197 3.100 -18.428 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.834 2.499 -18.251 1.00 0.00 H new ATOM 0 HG LEU A 83 5.521 1.104 -16.273 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.470 0.209 -17.306 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.341 1.956 -16.991 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.642 1.370 -18.644 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.660 -0.808 -17.823 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.912 0.316 -19.180 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.127 0.198 -17.885 1.00 0.00 H new TER 1225 LEU A 83 ATOM 1226 N ALA B 331 -25.451 -4.677 -7.501 1.00 0.00 N ATOM 1227 CA ALA B 331 -24.615 -3.491 -7.822 1.00 0.00 C ATOM 1228 C ALA B 331 -23.215 -3.634 -7.238 1.00 0.00 C ATOM 1229 O ALA B 331 -23.051 -4.112 -6.111 1.00 0.00 O ATOM 1230 CB ALA B 331 -25.278 -2.224 -7.302 1.00 0.00 C ATOM 0 HA ALA B 331 -24.524 -3.423 -8.906 1.00 0.00 H new ATOM 0 HB1 ALA B 331 -24.656 -1.362 -7.543 1.00 0.00 H new ATOM 0 HB2 ALA B 331 -26.256 -2.107 -7.769 1.00 0.00 H new ATOM 0 HB3 ALA B 331 -25.398 -2.293 -6.221 1.00 0.00 H new ATOM 1235 N THR B 332 -22.213 -3.214 -8.014 1.00 0.00 N ATOM 1236 CA THR B 332 -20.812 -3.285 -7.592 1.00 0.00 C ATOM 1237 C THR B 332 -20.152 -1.912 -7.664 1.00 0.00 C ATOM 1238 O THR B 332 -20.208 -1.242 -8.700 1.00 0.00 O ATOM 1239 CB THR B 332 -19.998 -4.282 -8.454 1.00 0.00 C ATOM 1240 OG1 THR B 332 -20.873 -5.159 -9.176 1.00 0.00 O ATOM 1241 CG2 THR B 332 -19.059 -5.109 -7.584 1.00 0.00 C ATOM 0 H THR B 332 -22.348 -2.818 -8.944 1.00 0.00 H new ATOM 0 HA THR B 332 -20.814 -3.638 -6.561 1.00 0.00 H new ATOM 0 HB THR B 332 -19.408 -3.702 -9.163 1.00 0.00 H new ATOM 0 HG1 THR B 332 -20.341 -5.780 -9.716 1.00 0.00 H new ATOM 0 HG21 THR B 332 -18.498 -5.802 -8.211 1.00 0.00 H new ATOM 0 HG22 THR B 332 -18.366 -4.447 -7.065 1.00 0.00 H new ATOM 0 HG23 THR B 332 -19.641 -5.671 -6.853 1.00 0.00 H new ATOM 1249 N GLY B 333 -19.529 -1.507 -6.552 1.00 0.00 N ATOM 1250 CA GLY B 333 -18.855 -0.217 -6.485 1.00 0.00 C ATOM 1251 C GLY B 333 -17.345 -0.350 -6.463 1.00 0.00 C ATOM 1252 O GLY B 333 -16.802 -1.371 -6.898 1.00 0.00 O ATOM 0 H GLY B 333 -19.480 -2.055 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY B 333 -19.150 0.388 -7.342 1.00 0.00 H new ATOM 0 HA3 GLY B 333 -19.183 0.314 -5.591 1.00 0.00 H new ATOM 1256 N GLY B 334 -16.671 0.689 -5.955 1.00 0.00 N ATOM 1257 CA GLY B 334 -15.214 0.685 -5.876 1.00 0.00 C ATOM 1258 C GLY B 334 -14.549 1.356 -7.067 1.00 0.00 C ATOM 1259 O GLY B 334 -13.460 1.914 -6.931 1.00 0.00 O ATOM 0 H GLY B 334 -17.112 1.536 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY B 334 -14.905 1.192 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY B 334 -14.863 -0.344 -5.804 1.00 0.00 H new ATOM 1263 N VAL B 335 -15.224 1.309 -8.235 1.00 0.00 N ATOM 1264 CA VAL B 335 -14.747 1.895 -9.517 1.00 0.00 C ATOM 1265 C VAL B 335 -13.273 1.558 -9.849 1.00 0.00 C ATOM 1266 O VAL B 335 -13.013 0.559 -10.525 1.00 0.00 O ATOM 1267 CB VAL B 335 -15.013 3.438 -9.658 1.00 0.00 C ATOM 1268 CG1 VAL B 335 -16.467 3.681 -10.018 1.00 0.00 C ATOM 1269 CG2 VAL B 335 -14.644 4.247 -8.408 1.00 0.00 C ATOM 0 H VAL B 335 -16.134 0.855 -8.321 1.00 0.00 H new ATOM 0 HA VAL B 335 -15.367 1.399 -10.264 1.00 0.00 H new ATOM 0 HB VAL B 335 -14.358 3.789 -10.455 1.00 0.00 H new ATOM 0 HG11 VAL B 335 -16.644 4.752 -10.114 1.00 0.00 H new ATOM 0 HG12 VAL B 335 -16.695 3.189 -10.964 1.00 0.00 H new ATOM 0 HG13 VAL B 335 -17.108 3.276 -9.235 1.00 0.00 H new ATOM 0 HG21 VAL B 335 -14.856 5.302 -8.582 1.00 0.00 H new ATOM 0 HG22 VAL B 335 -15.231 3.894 -7.560 1.00 0.00 H new ATOM 0 HG23 VAL B 335 -13.583 4.120 -8.193 1.00 0.00 H new HETATM 1279 N M3L B 336 -12.315 2.382 -9.359 1.00 0.00 N HETATM 1280 CA M3L B 336 -10.850 2.202 -9.608 1.00 0.00 C HETATM 1281 CB M3L B 336 -10.298 0.918 -8.941 1.00 0.00 C HETATM 1282 CG M3L B 336 -10.879 0.621 -7.566 1.00 0.00 C HETATM 1283 CD M3L B 336 -9.990 1.139 -6.442 1.00 0.00 C HETATM 1284 CE M3L B 336 -10.813 1.527 -5.188 1.00 0.00 C HETATM 1285 NZ M3L B 336 -10.890 0.472 -4.081 1.00 0.00 N HETATM 1286 C M3L B 336 -10.499 2.178 -11.111 1.00 0.00 C HETATM 1287 O M3L B 336 -11.353 1.893 -11.955 1.00 0.00 O HETATM 1288 CM1 M3L B 336 -9.550 0.118 -3.539 1.00 0.00 C HETATM 1289 CM2 M3L B 336 -11.599 -0.752 -4.569 1.00 0.00 C HETATM 1290 CM3 M3L B 336 -11.645 1.025 -2.939 1.00 0.00 C HETATM 0 HM33 M3L B 336 -11.138 1.914 -2.564 1.00 0.00 H new HETATM 0 HM32 M3L B 336 -12.651 1.291 -3.263 1.00 0.00 H new HETATM 0 HM31 M3L B 336 -11.704 0.279 -2.146 1.00 0.00 H new HETATM 0 HM23 M3L B 336 -12.611 -0.488 -4.876 1.00 0.00 H new HETATM 0 HM22 M3L B 336 -11.059 -1.171 -5.419 1.00 0.00 H new HETATM 0 HM21 M3L B 336 -11.644 -1.490 -3.768 1.00 0.00 H new HETATM 0 HM13 M3L B 336 -8.927 -0.280 -4.340 1.00 0.00 H new HETATM 0 HM12 M3L B 336 -9.079 1.008 -3.122 1.00 0.00 H new HETATM 0 HM11 M3L B 336 -9.661 -0.634 -2.757 1.00 0.00 H new HETATM 0 HG3 M3L B 336 -11.866 1.075 -7.485 1.00 0.00 H new HETATM 0 HG2 M3L B 336 -11.013 -0.455 -7.455 1.00 0.00 H new HETATM 0 HE3 M3L B 336 -10.387 2.437 -4.766 1.00 0.00 H new HETATM 0 HE2 M3L B 336 -11.828 1.767 -5.504 1.00 0.00 H new HETATM 0 HD3 M3L B 336 -9.260 0.375 -6.175 1.00 0.00 H new HETATM 0 HD2 M3L B 336 -9.430 2.006 -6.792 1.00 0.00 H new HETATM 0 HB3 M3L B 336 -10.496 0.070 -9.596 1.00 0.00 H new HETATM 0 HB2 M3L B 336 -9.215 1.006 -8.853 1.00 0.00 H new HETATM 0 HA M3L B 336 -10.375 3.073 -9.155 1.00 0.00 H new ATOM 1310 N LYS B 337 -9.232 2.493 -11.432 1.00 0.00 N ATOM 1311 CA LYS B 337 -8.746 2.492 -12.825 1.00 0.00 C ATOM 1312 C LYS B 337 -7.261 2.029 -12.910 1.00 0.00 C ATOM 1313 O LYS B 337 -6.440 2.700 -13.549 1.00 0.00 O ATOM 1314 CB LYS B 337 -8.937 3.889 -13.481 1.00 0.00 C ATOM 1315 CG LYS B 337 -8.389 5.074 -12.673 1.00 0.00 C ATOM 1316 CD LYS B 337 -9.434 5.646 -11.716 1.00 0.00 C ATOM 1317 CE LYS B 337 -10.014 6.960 -12.225 1.00 0.00 C ATOM 1318 NZ LYS B 337 -9.217 8.129 -11.760 1.00 0.00 N1+ ATOM 0 H LYS B 337 -8.524 2.752 -10.745 1.00 0.00 H new ATOM 0 HA LYS B 337 -9.345 1.773 -13.384 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -8.454 3.882 -14.458 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -10.001 4.049 -13.653 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -7.515 4.753 -12.106 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -8.056 5.856 -13.356 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -10.238 4.922 -11.582 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -8.981 5.804 -10.737 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -10.041 6.948 -13.315 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -11.043 7.061 -11.881 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -9.387 8.938 -12.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -9.501 8.380 -10.792 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -8.206 7.887 -11.772 1.00 0.00 H new ATOM 1332 N PRO B 338 -6.883 0.869 -12.274 1.00 0.00 N ATOM 1333 CA PRO B 338 -5.496 0.353 -12.293 1.00 0.00 C ATOM 1334 C PRO B 338 -5.104 -0.339 -13.604 1.00 0.00 C ATOM 1335 O PRO B 338 -5.758 -0.172 -14.637 1.00 0.00 O ATOM 1336 CB PRO B 338 -5.479 -0.679 -11.143 1.00 0.00 C ATOM 1337 CG PRO B 338 -6.758 -0.489 -10.417 1.00 0.00 C ATOM 1338 CD PRO B 338 -7.732 -0.014 -11.452 1.00 0.00 C ATOM 0 HA PRO B 338 -4.784 1.171 -12.189 1.00 0.00 H new ATOM 0 HB2 PRO B 338 -5.395 -1.695 -11.529 1.00 0.00 H new ATOM 0 HB3 PRO B 338 -4.626 -0.517 -10.484 1.00 0.00 H new ATOM 0 HG2 PRO B 338 -7.093 -1.420 -9.959 1.00 0.00 H new ATOM 0 HG3 PRO B 338 -6.650 0.240 -9.614 1.00 0.00 H new ATOM 0 HD2 PRO B 338 -8.149 -0.838 -12.032 1.00 0.00 H new ATOM 0 HD3 PRO B 338 -8.572 0.521 -11.009 1.00 0.00 H new ATOM 1346 N HIS B 339 -4.016 -1.120 -13.519 1.00 0.00 N ATOM 1347 CA HIS B 339 -3.460 -1.888 -14.633 1.00 0.00 C ATOM 1348 C HIS B 339 -4.393 -3.063 -14.995 1.00 0.00 C ATOM 1349 O HIS B 339 -4.756 -3.232 -16.159 1.00 0.00 O ATOM 1350 CB HIS B 339 -2.037 -2.331 -14.206 1.00 0.00 C ATOM 1351 CG HIS B 339 -1.610 -3.718 -14.560 1.00 0.00 C ATOM 1352 ND1 HIS B 339 -1.387 -4.143 -15.848 1.00 0.00 N ATOM 1353 CD2 HIS B 339 -1.325 -4.766 -13.759 1.00 0.00 C ATOM 1354 CE1 HIS B 339 -0.979 -5.398 -15.825 1.00 0.00 C ATOM 1355 NE2 HIS B 339 -0.934 -5.801 -14.568 1.00 0.00 N ATOM 0 H HIS B 339 -3.490 -1.235 -12.653 1.00 0.00 H new ATOM 0 HA HIS B 339 -3.384 -1.295 -15.544 1.00 0.00 H new ATOM 0 HB2 HIS B 339 -1.322 -1.636 -14.647 1.00 0.00 H new ATOM 0 HB3 HIS B 339 -1.961 -2.222 -13.124 1.00 0.00 H new ATOM 0 HD2 HIS B 339 -1.392 -4.786 -12.681 1.00 0.00 H new ATOM 0 HE1 HIS B 339 -0.725 -5.995 -16.688 1.00 0.00 H new ATOM 0 HE2 HIS B 339 -0.654 -6.729 -14.251 1.00 0.00 H new ATOM 1364 N ARG B 340 -4.778 -3.847 -13.960 1.00 0.00 N ATOM 1365 CA ARG B 340 -5.696 -5.011 -14.069 1.00 0.00 C ATOM 1366 C ARG B 340 -5.504 -5.861 -15.339 1.00 0.00 C ATOM 1367 O ARG B 340 -5.938 -5.478 -16.434 1.00 0.00 O ATOM 1368 CB ARG B 340 -7.156 -4.541 -13.968 1.00 0.00 C ATOM 1369 CG ARG B 340 -7.980 -5.317 -12.954 1.00 0.00 C ATOM 1370 CD ARG B 340 -9.422 -4.834 -12.923 1.00 0.00 C ATOM 1371 NE ARG B 340 -10.283 -5.614 -13.820 1.00 0.00 N ATOM 1372 CZ ARG B 340 -11.611 -5.462 -13.928 1.00 0.00 C ATOM 1373 NH1 ARG B 340 -12.260 -4.551 -13.204 1.00 0.00 N1+ ATOM 1374 NH2 ARG B 340 -12.293 -6.225 -14.771 1.00 0.00 N ATOM 0 H ARG B 340 -4.454 -3.687 -13.006 1.00 0.00 H new ATOM 0 HA ARG B 340 -5.443 -5.665 -13.234 1.00 0.00 H new ATOM 0 HB2 ARG B 340 -7.170 -3.484 -13.702 1.00 0.00 H new ATOM 0 HB3 ARG B 340 -7.625 -4.629 -14.948 1.00 0.00 H new ATOM 0 HG2 ARG B 340 -7.956 -6.379 -13.200 1.00 0.00 H new ATOM 0 HG3 ARG B 340 -7.537 -5.209 -11.964 1.00 0.00 H new ATOM 0 HD2 ARG B 340 -9.805 -4.901 -11.905 1.00 0.00 H new ATOM 0 HD3 ARG B 340 -9.458 -3.783 -13.209 1.00 0.00 H new ATOM 0 HE ARG B 340 -9.839 -6.323 -14.404 1.00 0.00 H new ATOM 0 HH11 ARG B 340 -11.746 -3.955 -12.555 1.00 0.00 H new ATOM 0 HH12 ARG B 340 -13.270 -4.449 -13.299 1.00 0.00 H new ATOM 0 HH21 ARG B 340 -11.807 -6.924 -15.334 1.00 0.00 H new ATOM 0 HH22 ARG B 340 -13.303 -6.113 -14.857 1.00 0.00 H new ATOM 1388 N TYR B 341 -4.847 -7.015 -15.174 1.00 0.00 N ATOM 1389 CA TYR B 341 -4.603 -7.942 -16.280 1.00 0.00 C ATOM 1390 C TYR B 341 -4.794 -9.387 -15.824 1.00 0.00 C ATOM 1391 CB TYR B 341 -3.191 -7.755 -16.842 1.00 0.00 C ATOM 1392 CG TYR B 341 -3.086 -8.023 -18.327 1.00 0.00 C ATOM 1393 CD1 TYR B 341 -2.903 -9.313 -18.803 1.00 0.00 C ATOM 1394 CD2 TYR B 341 -3.170 -6.987 -19.249 1.00 0.00 C ATOM 1395 CE1 TYR B 341 -2.806 -9.567 -20.159 1.00 0.00 C ATOM 1396 CE2 TYR B 341 -3.074 -7.231 -20.606 1.00 0.00 C ATOM 1397 CZ TYR B 341 -2.892 -8.522 -21.056 1.00 0.00 C ATOM 1398 OH TYR B 341 -2.796 -8.768 -22.406 1.00 0.00 O ATOM 0 H TYR B 341 -4.474 -7.329 -14.278 1.00 0.00 H new ATOM 0 HA TYR B 341 -5.325 -7.724 -17.067 1.00 0.00 H new ATOM 0 HB2 TYR B 341 -2.862 -6.735 -16.642 1.00 0.00 H new ATOM 0 HB3 TYR B 341 -2.508 -8.420 -16.313 1.00 0.00 H new ATOM 0 HD1 TYR B 341 -2.835 -10.133 -18.103 1.00 0.00 H new ATOM 0 HD2 TYR B 341 -3.313 -5.975 -18.900 1.00 0.00 H new ATOM 0 HE1 TYR B 341 -2.664 -10.577 -20.514 1.00 0.00 H new ATOM 0 HE2 TYR B 341 -3.141 -6.415 -21.310 1.00 0.00 H new ATOM 0 HH TYR B 341 -2.878 -7.925 -22.899 1.00 0.00 H new TER 1408 TYR B 341