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 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= -1.17 K(o=-1.2,f=-7.6!) USER MOD Single : A 42 THR OG1 : rot -25:sc= 0.759 USER MOD Single : A 47 TYR OH : rot 68:sc= 2.07 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+ -134:sc= 1.13 (180deg=-0.149) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -31:sc= -8.88! USER MOD Single : A 64 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.53) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.8) 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+ -139:sc= 0.255 (180deg=-2.41) USER MOD Single : B 339 HIS : no HD1:sc= -5.65! C(o=-5.6!,f=-4.8!) USER MOD Single : B 341 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 -18.764 37.060 -1.890 1.00 0.00 N ATOM 2 CA SER A 5 -18.654 36.808 -0.430 1.00 0.00 C ATOM 3 C SER A 5 -19.153 35.410 -0.080 1.00 0.00 C ATOM 4 O SER A 5 -20.250 35.015 -0.487 1.00 0.00 O ATOM 5 CB SER A 5 -19.456 37.854 0.349 1.00 0.00 C ATOM 6 OG SER A 5 -18.605 38.669 1.137 1.00 0.00 O ATOM 0 HA SER A 5 -17.603 36.881 -0.152 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.019 38.477 -0.346 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.183 37.355 0.990 1.00 0.00 H new ATOM 0 HG SER A 5 -19.142 39.329 1.623 1.00 0.00 H new ATOM 11 N ARG A 6 -18.334 34.670 0.674 1.00 0.00 N ATOM 12 CA ARG A 6 -18.672 33.310 1.090 1.00 0.00 C ATOM 13 C ARG A 6 -18.794 33.221 2.611 1.00 0.00 C ATOM 14 O ARG A 6 -17.829 33.481 3.338 1.00 0.00 O ATOM 15 CB ARG A 6 -17.615 32.323 0.587 1.00 0.00 C ATOM 16 CG ARG A 6 -17.888 31.801 -0.816 1.00 0.00 C ATOM 17 CD ARG A 6 -16.848 30.775 -1.240 1.00 0.00 C ATOM 18 NE ARG A 6 -17.140 29.440 -0.703 1.00 0.00 N ATOM 19 CZ ARG A 6 -17.516 28.383 -1.439 1.00 0.00 C ATOM 20 NH1 ARG A 6 -17.653 28.474 -2.761 1.00 0.00 N1+ ATOM 21 NH2 ARG A 6 -17.757 27.224 -0.842 1.00 0.00 N ATOM 0 H ARG A 6 -17.427 34.995 1.009 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.636 33.049 0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.640 32.809 0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.561 31.480 1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.880 31.351 -0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.889 32.632 -1.521 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.809 30.727 -2.328 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.863 31.095 -0.899 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.050 29.306 0.304 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.471 29.360 -3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -17.940 27.658 -3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.656 27.141 0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.043 26.416 -1.394 1.00 0.00 H new ATOM 35 N LEU A 7 -19.997 32.865 3.080 1.00 0.00 N ATOM 36 CA LEU A 7 -20.270 32.732 4.516 1.00 0.00 C ATOM 37 C LEU A 7 -21.133 31.499 4.796 1.00 0.00 C ATOM 38 O LEU A 7 -22.264 31.397 4.308 1.00 0.00 O ATOM 39 CB LEU A 7 -20.945 34.002 5.080 1.00 0.00 C ATOM 40 CG LEU A 7 -22.136 34.553 4.280 1.00 0.00 C ATOM 41 CD1 LEU A 7 -23.417 34.454 5.095 1.00 0.00 C ATOM 42 CD2 LEU A 7 -21.876 35.992 3.863 1.00 0.00 C ATOM 0 H LEU A 7 -20.799 32.663 2.483 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.313 32.606 5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -21.284 33.788 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -20.191 34.786 5.155 1.00 0.00 H new ATOM 0 HG LEU A 7 -22.256 33.951 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -24.250 34.849 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -23.610 33.411 5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -23.310 35.032 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -22.729 36.367 3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -21.731 36.607 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -20.982 36.035 3.241 1.00 0.00 H new ATOM 54 N SER A 8 -20.579 30.568 5.579 1.00 0.00 N ATOM 55 CA SER A 8 -21.277 29.331 5.945 1.00 0.00 C ATOM 56 C SER A 8 -21.116 29.034 7.437 1.00 0.00 C ATOM 57 O SER A 8 -22.088 28.682 8.112 1.00 0.00 O ATOM 58 CB SER A 8 -20.758 28.151 5.111 1.00 0.00 C ATOM 59 OG SER A 8 -19.344 28.069 5.162 1.00 0.00 O ATOM 0 H SER A 8 -19.642 30.649 5.974 1.00 0.00 H new ATOM 0 HA SER A 8 -22.338 29.469 5.734 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.192 27.222 5.481 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.081 28.264 4.076 1.00 0.00 H new ATOM 0 HG SER A 8 -19.041 27.308 4.624 1.00 0.00 H new ATOM 65 N ARG A 9 -19.882 29.179 7.939 1.00 0.00 N ATOM 66 CA ARG A 9 -19.574 28.933 9.353 1.00 0.00 C ATOM 67 C ARG A 9 -18.737 30.077 9.940 1.00 0.00 C ATOM 68 O ARG A 9 -19.047 30.588 11.020 1.00 0.00 O ATOM 69 CB ARG A 9 -18.858 27.574 9.543 1.00 0.00 C ATOM 70 CG ARG A 9 -17.675 27.321 8.601 1.00 0.00 C ATOM 71 CD ARG A 9 -17.560 25.850 8.233 1.00 0.00 C ATOM 72 NE ARG A 9 -18.428 25.495 7.104 1.00 0.00 N ATOM 73 CZ ARG A 9 -19.542 24.754 7.200 1.00 0.00 C ATOM 74 NH1 ARG A 9 -19.954 24.273 8.372 1.00 0.00 N1+ ATOM 75 NH2 ARG A 9 -20.251 24.496 6.109 1.00 0.00 N ATOM 0 H ARG A 9 -19.077 29.467 7.382 1.00 0.00 H new ATOM 0 HA ARG A 9 -20.519 28.891 9.895 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -18.503 27.509 10.571 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -19.587 26.775 9.407 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.796 27.915 7.695 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.752 27.651 9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.525 25.620 7.981 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.821 25.239 9.097 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.165 25.836 6.179 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -19.419 24.466 9.219 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -20.804 23.712 8.422 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -19.948 24.860 5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -21.099 23.933 6.173 1.00 0.00 H new ATOM 89 N SER A 10 -17.679 30.466 9.215 1.00 0.00 N ATOM 90 CA SER A 10 -16.787 31.547 9.643 1.00 0.00 C ATOM 91 C SER A 10 -16.483 32.500 8.485 1.00 0.00 C ATOM 92 O SER A 10 -16.498 33.722 8.665 1.00 0.00 O ATOM 93 CB SER A 10 -15.482 30.972 10.205 1.00 0.00 C ATOM 94 OG SER A 10 -15.696 30.352 11.461 1.00 0.00 O ATOM 0 H SER A 10 -17.421 30.043 8.323 1.00 0.00 H new ATOM 0 HA SER A 10 -17.294 32.110 10.427 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.069 30.247 9.504 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.746 31.769 10.310 1.00 0.00 H new ATOM 0 HG SER A 10 -14.849 29.992 11.797 1.00 0.00 H new ATOM 100 N GLY A 11 -16.208 31.930 7.303 1.00 0.00 N ATOM 101 CA GLY A 11 -15.901 32.731 6.126 1.00 0.00 C ATOM 102 C GLY A 11 -14.547 32.393 5.533 1.00 0.00 C ATOM 103 O GLY A 11 -14.350 31.288 5.019 1.00 0.00 O ATOM 0 H GLY A 11 -16.194 30.922 7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -16.673 32.576 5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -15.924 33.788 6.393 1.00 0.00 H new ATOM 107 N ALA A 12 -13.617 33.351 5.608 1.00 0.00 N ATOM 108 CA ALA A 12 -12.266 33.171 5.080 1.00 0.00 C ATOM 109 C ALA A 12 -11.221 33.382 6.171 1.00 0.00 C ATOM 110 O ALA A 12 -11.257 34.386 6.888 1.00 0.00 O ATOM 111 CB ALA A 12 -12.022 34.124 3.919 1.00 0.00 C ATOM 0 H ALA A 12 -13.780 34.264 6.033 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.175 32.147 4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.012 33.979 3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.743 33.924 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.136 35.152 4.262 1.00 0.00 H new ATOM 117 N SER A 13 -10.293 32.425 6.285 1.00 0.00 N ATOM 118 CA SER A 13 -9.225 32.487 7.285 1.00 0.00 C ATOM 119 C SER A 13 -7.857 32.212 6.657 1.00 0.00 C ATOM 120 O SER A 13 -6.886 32.919 6.944 1.00 0.00 O ATOM 121 CB SER A 13 -9.494 31.488 8.416 1.00 0.00 C ATOM 122 OG SER A 13 -10.619 31.878 9.185 1.00 0.00 O ATOM 0 H SER A 13 -10.262 31.595 5.693 1.00 0.00 H new ATOM 0 HA SER A 13 -9.213 33.497 7.696 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.663 30.496 7.997 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.617 31.417 9.059 1.00 0.00 H new ATOM 0 HG SER A 13 -10.770 31.224 9.899 1.00 0.00 H new ATOM 128 N SER A 14 -7.791 31.185 5.800 1.00 0.00 N ATOM 129 CA SER A 14 -6.548 30.807 5.127 1.00 0.00 C ATOM 130 C SER A 14 -6.584 31.195 3.652 1.00 0.00 C ATOM 131 O SER A 14 -7.613 31.038 2.988 1.00 0.00 O ATOM 132 CB SER A 14 -6.308 29.302 5.263 1.00 0.00 C ATOM 133 OG SER A 14 -6.239 28.917 6.625 1.00 0.00 O ATOM 0 H SER A 14 -8.590 30.600 5.557 1.00 0.00 H new ATOM 0 HA SER A 14 -5.729 31.345 5.605 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.111 28.756 4.768 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.381 29.031 4.758 1.00 0.00 H new ATOM 0 HG SER A 14 -6.087 27.951 6.684 1.00 0.00 H new ATOM 139 N LEU A 15 -5.452 31.700 3.155 1.00 0.00 N ATOM 140 CA LEU A 15 -5.330 32.116 1.756 1.00 0.00 C ATOM 141 C LEU A 15 -4.154 31.413 1.076 1.00 0.00 C ATOM 142 O LEU A 15 -4.295 30.899 -0.038 1.00 0.00 O ATOM 143 CB LEU A 15 -5.164 33.640 1.666 1.00 0.00 C ATOM 144 CG LEU A 15 -6.303 34.391 0.967 1.00 0.00 C ATOM 145 CD1 LEU A 15 -7.333 34.868 1.982 1.00 0.00 C ATOM 146 CD2 LEU A 15 -5.753 35.570 0.176 1.00 0.00 C ATOM 0 H LEU A 15 -4.603 31.831 3.704 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.244 31.830 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.058 34.036 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.234 33.856 1.140 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.793 33.706 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.133 35.399 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.748 34.010 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.856 35.538 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.574 36.093 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.239 36.254 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.052 35.208 -0.576 1.00 0.00 H new ATOM 158 N TRP A 16 -2.998 31.397 1.755 1.00 0.00 N ATOM 159 CA TRP A 16 -1.792 30.757 1.232 1.00 0.00 C ATOM 160 C TRP A 16 -1.155 29.867 2.295 1.00 0.00 C ATOM 161 O TRP A 16 -0.910 30.310 3.421 1.00 0.00 O ATOM 162 CB TRP A 16 -0.786 31.813 0.762 1.00 0.00 C ATOM 163 CG TRP A 16 -0.130 31.472 -0.544 1.00 0.00 C ATOM 164 CD1 TRP A 16 0.995 30.719 -0.718 1.00 0.00 C ATOM 165 CD2 TRP A 16 -0.553 31.872 -1.859 1.00 0.00 C ATOM 166 NE1 TRP A 16 1.298 30.623 -2.054 1.00 0.00 N ATOM 167 CE2 TRP A 16 0.364 31.321 -2.774 1.00 0.00 C ATOM 168 CE3 TRP A 16 -1.617 32.639 -2.352 1.00 0.00 C ATOM 169 CZ2 TRP A 16 0.251 31.512 -4.150 1.00 0.00 C ATOM 170 CZ3 TRP A 16 -1.726 32.827 -3.718 1.00 0.00 C ATOM 171 CH2 TRP A 16 -0.797 32.265 -4.602 1.00 0.00 C ATOM 0 H TRP A 16 -2.877 31.824 2.673 1.00 0.00 H new ATOM 0 HA TRP A 16 -2.076 30.138 0.381 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -1.296 32.772 0.665 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -0.017 31.937 1.525 1.00 0.00 H new ATOM 0 HD1 TRP A 16 1.564 30.265 0.079 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.090 30.114 -2.447 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.339 33.075 -1.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 0.966 31.081 -4.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -2.541 33.417 -4.109 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -0.911 32.430 -5.663 1.00 0.00 H new ATOM 182 N ASP A 17 -0.894 28.607 1.923 1.00 0.00 N ATOM 183 CA ASP A 17 -0.285 27.633 2.833 1.00 0.00 C ATOM 184 C ASP A 17 0.776 26.788 2.105 1.00 0.00 C ATOM 185 O ASP A 17 0.723 26.677 0.877 1.00 0.00 O ATOM 186 CB ASP A 17 -1.361 26.714 3.427 1.00 0.00 C ATOM 187 CG ASP A 17 -2.077 27.349 4.602 1.00 0.00 C ATOM 188 OD1 ASP A 17 -1.499 27.368 5.710 1.00 0.00 O1- ATOM 189 OD2 ASP A 17 -3.216 27.827 4.416 1.00 0.00 O ATOM 0 H ASP A 17 -1.097 28.239 0.994 1.00 0.00 H new ATOM 0 HA ASP A 17 0.202 28.183 3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.088 26.463 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.901 25.779 3.747 1.00 0.00 H new ATOM 194 N PRO A 18 1.763 26.172 2.839 1.00 0.00 N ATOM 195 CA PRO A 18 2.813 25.339 2.220 1.00 0.00 C ATOM 196 C PRO A 18 2.313 23.925 1.863 1.00 0.00 C ATOM 197 O PRO A 18 2.942 22.915 2.207 1.00 0.00 O ATOM 198 CB PRO A 18 3.919 25.279 3.300 1.00 0.00 C ATOM 199 CG PRO A 18 3.456 26.159 4.420 1.00 0.00 C ATOM 200 CD PRO A 18 1.963 26.237 4.302 1.00 0.00 C ATOM 0 HA PRO A 18 3.156 25.757 1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.071 24.256 3.645 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.872 25.626 2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.749 25.747 5.385 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.904 27.150 4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.470 25.413 4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.568 27.160 4.727 1.00 0.00 H new ATOM 208 N ALA A 19 1.177 23.876 1.157 1.00 0.00 N ATOM 209 CA ALA A 19 0.564 22.609 0.741 1.00 0.00 C ATOM 210 C ALA A 19 1.037 22.168 -0.653 1.00 0.00 C ATOM 211 O ALA A 19 0.663 21.090 -1.128 1.00 0.00 O ATOM 212 CB ALA A 19 -0.954 22.735 0.773 1.00 0.00 C ATOM 0 H ALA A 19 0.661 24.705 0.860 1.00 0.00 H new ATOM 0 HA ALA A 19 0.880 21.839 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.404 21.792 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.278 22.976 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.268 23.527 0.093 1.00 0.00 H new ATOM 218 N SER A 20 1.870 23.002 -1.292 1.00 0.00 N ATOM 219 CA SER A 20 2.399 22.711 -2.627 1.00 0.00 C ATOM 220 C SER A 20 3.738 21.960 -2.540 1.00 0.00 C ATOM 221 O SER A 20 4.616 22.366 -1.774 1.00 0.00 O ATOM 222 CB SER A 20 2.583 24.007 -3.418 1.00 0.00 C ATOM 223 OG SER A 20 1.744 24.032 -4.559 1.00 0.00 O ATOM 0 H SER A 20 2.192 23.887 -0.901 1.00 0.00 H new ATOM 0 HA SER A 20 1.679 22.074 -3.142 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.359 24.861 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.624 24.104 -3.726 1.00 0.00 H new ATOM 0 HG SER A 20 1.879 24.871 -5.046 1.00 0.00 H new ATOM 229 N PRO A 21 3.919 20.850 -3.325 1.00 0.00 N ATOM 230 CA PRO A 21 5.169 20.063 -3.310 1.00 0.00 C ATOM 231 C PRO A 21 6.334 20.764 -4.021 1.00 0.00 C ATOM 232 O PRO A 21 6.119 21.584 -4.920 1.00 0.00 O ATOM 233 CB PRO A 21 4.787 18.772 -4.043 1.00 0.00 C ATOM 234 CG PRO A 21 3.666 19.154 -4.954 1.00 0.00 C ATOM 235 CD PRO A 21 2.922 20.269 -4.265 1.00 0.00 C ATOM 0 HA PRO A 21 5.528 19.905 -2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.632 18.374 -4.605 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.477 17.998 -3.341 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.046 19.480 -5.922 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.009 18.304 -5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.569 21.012 -4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.046 19.895 -3.735 1.00 0.00 H new ATOM 243 N ALA A 22 7.558 20.430 -3.603 1.00 0.00 N ATOM 244 CA ALA A 22 8.770 21.010 -4.184 1.00 0.00 C ATOM 245 C ALA A 22 9.410 20.076 -5.234 1.00 0.00 C ATOM 246 O ALA A 22 9.691 20.537 -6.344 1.00 0.00 O ATOM 247 CB ALA A 22 9.772 21.368 -3.089 1.00 0.00 C ATOM 0 H ALA A 22 7.735 19.756 -2.859 1.00 0.00 H new ATOM 0 HA ALA A 22 8.480 21.924 -4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.666 21.798 -3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.324 22.093 -2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.042 20.469 -2.535 1.00 0.00 H new ATOM 253 N PRO A 23 9.660 18.752 -4.928 1.00 0.00 N ATOM 254 CA PRO A 23 10.269 17.827 -5.906 1.00 0.00 C ATOM 255 C PRO A 23 9.290 17.379 -7.000 1.00 0.00 C ATOM 256 O PRO A 23 8.142 17.029 -6.708 1.00 0.00 O ATOM 257 CB PRO A 23 10.705 16.634 -5.048 1.00 0.00 C ATOM 258 CG PRO A 23 9.773 16.626 -3.883 1.00 0.00 C ATOM 259 CD PRO A 23 9.399 18.064 -3.629 1.00 0.00 C ATOM 0 HA PRO A 23 11.086 18.301 -6.449 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.641 15.702 -5.609 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.740 16.740 -4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.888 16.026 -4.097 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.250 16.188 -3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.354 18.156 -3.334 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.996 18.494 -2.825 1.00 0.00 H new ATOM 267 N THR A 24 9.761 17.400 -8.250 1.00 0.00 N ATOM 268 CA THR A 24 8.942 17.002 -9.397 1.00 0.00 C ATOM 269 C THR A 24 9.568 15.814 -10.130 1.00 0.00 C ATOM 270 O THR A 24 10.605 15.953 -10.787 1.00 0.00 O ATOM 271 CB THR A 24 8.733 18.169 -10.395 1.00 0.00 C ATOM 272 OG1 THR A 24 9.071 19.423 -9.786 1.00 0.00 O ATOM 273 CG2 THR A 24 7.290 18.215 -10.880 1.00 0.00 C ATOM 0 H THR A 24 10.708 17.689 -8.493 1.00 0.00 H new ATOM 0 HA THR A 24 7.969 16.712 -9.000 1.00 0.00 H new ATOM 0 HB THR A 24 9.389 17.997 -11.248 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.934 20.148 -10.432 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.167 19.042 -11.579 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.044 17.278 -11.379 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.624 18.358 -10.029 1.00 0.00 H new ATOM 281 N SER A 25 8.917 14.638 -10.003 1.00 0.00 N ATOM 282 CA SER A 25 9.359 13.371 -10.637 1.00 0.00 C ATOM 283 C SER A 25 10.744 12.927 -10.152 1.00 0.00 C ATOM 284 O SER A 25 11.708 13.696 -10.209 1.00 0.00 O ATOM 285 CB SER A 25 9.352 13.474 -12.170 1.00 0.00 C ATOM 286 OG SER A 25 8.901 12.266 -12.760 1.00 0.00 O ATOM 0 H SER A 25 8.063 14.537 -9.454 1.00 0.00 H new ATOM 0 HA SER A 25 8.637 12.613 -10.332 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.707 14.297 -12.480 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.356 13.704 -12.527 1.00 0.00 H new ATOM 0 HG SER A 25 8.904 12.357 -13.736 1.00 0.00 H new ATOM 292 N GLY A 26 10.822 11.678 -9.680 1.00 0.00 N ATOM 293 CA GLY A 26 12.078 11.125 -9.193 1.00 0.00 C ATOM 294 C GLY A 26 12.720 10.162 -10.189 1.00 0.00 C ATOM 295 O GLY A 26 12.050 9.733 -11.134 1.00 0.00 O ATOM 0 H GLY A 26 10.030 11.038 -9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.771 11.939 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.901 10.604 -8.252 1.00 0.00 H new ATOM 299 N PRO A 27 14.028 9.789 -10.011 1.00 0.00 N ATOM 300 CA PRO A 27 14.720 8.861 -10.929 1.00 0.00 C ATOM 301 C PRO A 27 14.238 7.406 -10.795 1.00 0.00 C ATOM 302 O PRO A 27 13.921 6.761 -11.798 1.00 0.00 O ATOM 303 CB PRO A 27 16.197 8.998 -10.531 1.00 0.00 C ATOM 304 CG PRO A 27 16.177 9.427 -9.100 1.00 0.00 C ATOM 305 CD PRO A 27 14.929 10.253 -8.924 1.00 0.00 C ATOM 0 HA PRO A 27 14.526 9.107 -11.973 1.00 0.00 H new ATOM 0 HB2 PRO A 27 16.727 8.053 -10.652 1.00 0.00 H new ATOM 0 HB3 PRO A 27 16.707 9.732 -11.155 1.00 0.00 H new ATOM 0 HG2 PRO A 27 16.169 8.563 -8.435 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.066 10.009 -8.856 1.00 0.00 H new ATOM 0 HD2 PRO A 27 14.482 10.096 -7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.141 11.319 -9.010 1.00 0.00 H new ATOM 313 N ARG A 28 14.187 6.907 -9.549 1.00 0.00 N ATOM 314 CA ARG A 28 13.739 5.540 -9.265 1.00 0.00 C ATOM 315 C ARG A 28 12.950 5.495 -7.942 1.00 0.00 C ATOM 316 O ARG A 28 13.549 5.392 -6.863 1.00 0.00 O ATOM 317 CB ARG A 28 14.937 4.571 -9.218 1.00 0.00 C ATOM 318 CG ARG A 28 14.717 3.277 -9.998 1.00 0.00 C ATOM 319 CD ARG A 28 15.151 3.403 -11.457 1.00 0.00 C ATOM 320 NE ARG A 28 16.424 2.723 -11.711 1.00 0.00 N ATOM 321 CZ ARG A 28 17.439 3.238 -12.421 1.00 0.00 C ATOM 322 NH1 ARG A 28 17.359 4.455 -12.959 1.00 0.00 N1+ ATOM 323 NH2 ARG A 28 18.545 2.527 -12.592 1.00 0.00 N ATOM 0 H ARG A 28 14.453 7.437 -8.719 1.00 0.00 H new ATOM 0 HA ARG A 28 13.078 5.222 -10.071 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.817 5.077 -9.614 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.152 4.325 -8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.274 2.469 -9.523 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.662 3.004 -9.956 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.380 2.982 -12.102 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.245 4.457 -11.718 1.00 0.00 H new ATOM 0 HE ARG A 28 16.547 1.789 -11.319 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.514 5.013 -12.834 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.142 4.828 -13.495 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.620 1.595 -12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.321 2.912 -13.131 1.00 0.00 H new ATOM 337 N PRO A 29 11.585 5.591 -7.997 1.00 0.00 N ATOM 338 CA PRO A 29 10.742 5.560 -6.791 1.00 0.00 C ATOM 339 C PRO A 29 10.439 4.140 -6.291 1.00 0.00 C ATOM 340 O PRO A 29 10.295 3.211 -7.092 1.00 0.00 O ATOM 341 CB PRO A 29 9.460 6.261 -7.250 1.00 0.00 C ATOM 342 CG PRO A 29 9.361 5.997 -8.722 1.00 0.00 C ATOM 343 CD PRO A 29 10.767 5.760 -9.228 1.00 0.00 C ATOM 0 HA PRO A 29 11.235 6.036 -5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.590 5.871 -6.722 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.504 7.331 -7.046 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.731 5.129 -8.916 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.905 6.844 -9.235 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.816 4.874 -9.861 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.120 6.600 -9.826 1.00 0.00 H new ATOM 351 N ARG A 30 10.348 3.997 -4.966 1.00 0.00 N ATOM 352 CA ARG A 30 10.051 2.711 -4.336 1.00 0.00 C ATOM 353 C ARG A 30 8.793 2.828 -3.469 1.00 0.00 C ATOM 354 O ARG A 30 7.787 2.170 -3.742 1.00 0.00 O ATOM 355 CB ARG A 30 11.247 2.231 -3.501 1.00 0.00 C ATOM 356 CG ARG A 30 12.243 1.386 -4.284 1.00 0.00 C ATOM 357 CD ARG A 30 12.036 -0.100 -4.029 1.00 0.00 C ATOM 358 NE ARG A 30 12.988 -0.925 -4.780 1.00 0.00 N ATOM 359 CZ ARG A 30 14.014 -1.598 -4.237 1.00 0.00 C ATOM 360 NH1 ARG A 30 14.245 -1.564 -2.925 1.00 0.00 N1+ ATOM 361 NH2 ARG A 30 14.814 -2.311 -5.018 1.00 0.00 N ATOM 0 H ARG A 30 10.477 4.764 -4.306 1.00 0.00 H new ATOM 0 HA ARG A 30 9.866 1.972 -5.116 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.764 3.099 -3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.878 1.651 -2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.138 1.591 -5.349 1.00 0.00 H new ATOM 0 HG3 ARG A 30 13.259 1.666 -4.004 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.142 -0.303 -2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.019 -0.377 -4.306 1.00 0.00 H new ATOM 0 HE ARG A 30 12.861 -0.992 -5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.636 -1.019 -2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.030 -2.083 -2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.647 -2.345 -6.024 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.596 -2.825 -4.613 1.00 0.00 H new ATOM 375 N LEU A 31 8.866 3.675 -2.426 1.00 0.00 N ATOM 376 CA LEU A 31 7.748 3.917 -1.503 1.00 0.00 C ATOM 377 C LEU A 31 7.932 5.266 -0.805 1.00 0.00 C ATOM 378 O LEU A 31 8.837 5.434 0.021 1.00 0.00 O ATOM 379 CB LEU A 31 7.627 2.783 -0.452 1.00 0.00 C ATOM 380 CG LEU A 31 6.575 1.667 -0.707 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.387 2.134 -1.544 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.214 0.449 -1.354 1.00 0.00 C ATOM 0 H LEU A 31 9.705 4.211 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 31 6.826 3.933 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.603 2.308 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.402 3.242 0.511 1.00 0.00 H new ATOM 0 HG LEU A 31 6.188 1.397 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.692 1.306 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.879 2.951 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.740 2.479 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.455 -0.315 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.657 0.734 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.989 0.053 -0.698 1.00 0.00 H new ATOM 394 N TRP A 32 7.069 6.228 -1.161 1.00 0.00 N ATOM 395 CA TRP A 32 7.114 7.587 -0.593 1.00 0.00 C ATOM 396 C TRP A 32 5.711 8.204 -0.567 1.00 0.00 C ATOM 397 O TRP A 32 4.823 7.751 -1.290 1.00 0.00 O ATOM 398 CB TRP A 32 8.094 8.488 -1.392 1.00 0.00 C ATOM 399 CG TRP A 32 7.739 8.686 -2.845 1.00 0.00 C ATOM 400 CD1 TRP A 32 7.786 7.748 -3.836 1.00 0.00 C ATOM 401 CD2 TRP A 32 7.287 9.902 -3.466 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.383 8.299 -5.027 1.00 0.00 N ATOM 403 CE2 TRP A 32 7.076 9.619 -4.828 1.00 0.00 C ATOM 404 CE3 TRP A 32 7.039 11.201 -3.004 1.00 0.00 C ATOM 405 CZ2 TRP A 32 6.629 10.583 -5.730 1.00 0.00 C ATOM 406 CZ3 TRP A 32 6.598 12.156 -3.900 1.00 0.00 C ATOM 407 CH2 TRP A 32 6.396 11.842 -5.249 1.00 0.00 C ATOM 0 H TRP A 32 6.325 6.090 -1.845 1.00 0.00 H new ATOM 0 HA TRP A 32 7.479 7.517 0.432 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.142 9.464 -0.909 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.092 8.054 -1.333 1.00 0.00 H new ATOM 0 HD1 TRP A 32 8.095 6.722 -3.702 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.322 7.805 -5.917 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.190 11.452 -1.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.472 10.344 -6.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.406 13.161 -3.554 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.049 12.610 -5.924 1.00 0.00 H new ATOM 418 N GLU A 33 5.525 9.254 0.251 1.00 0.00 N ATOM 419 CA GLU A 33 4.225 9.935 0.367 1.00 0.00 C ATOM 420 C GLU A 33 3.827 10.602 -0.957 1.00 0.00 C ATOM 421 O GLU A 33 4.500 11.525 -1.430 1.00 0.00 O ATOM 422 CB GLU A 33 4.269 10.974 1.494 1.00 0.00 C ATOM 423 CG GLU A 33 4.088 10.378 2.881 1.00 0.00 C ATOM 424 CD GLU A 33 3.898 11.436 3.950 1.00 0.00 C ATOM 425 OE1 GLU A 33 4.910 11.993 4.422 1.00 0.00 O1- ATOM 426 OE2 GLU A 33 2.733 11.708 4.315 1.00 0.00 O ATOM 0 H GLU A 33 6.258 9.649 0.841 1.00 0.00 H new ATOM 0 HA GLU A 33 3.471 9.185 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.223 11.499 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.490 11.716 1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.225 9.712 2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.958 9.770 3.128 1.00 0.00 H new ATOM 433 N GLY A 34 2.730 10.109 -1.545 1.00 0.00 N ATOM 434 CA GLY A 34 2.245 10.624 -2.816 1.00 0.00 C ATOM 435 C GLY A 34 2.714 9.779 -3.988 1.00 0.00 C ATOM 436 O GLY A 34 2.839 10.280 -5.110 1.00 0.00 O ATOM 0 H GLY A 34 2.166 9.354 -1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.155 10.654 -2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.590 11.650 -2.947 1.00 0.00 H new ATOM 440 N GLN A 35 2.972 8.493 -3.714 1.00 0.00 N ATOM 441 CA GLN A 35 3.431 7.552 -4.727 1.00 0.00 C ATOM 442 C GLN A 35 2.250 6.717 -5.218 1.00 0.00 C ATOM 443 O GLN A 35 1.635 5.985 -4.432 1.00 0.00 O ATOM 444 CB GLN A 35 4.562 6.666 -4.133 1.00 0.00 C ATOM 445 CG GLN A 35 4.735 5.275 -4.768 1.00 0.00 C ATOM 446 CD GLN A 35 6.017 5.132 -5.570 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.423 6.035 -6.306 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.655 3.977 -5.439 1.00 0.00 N ATOM 0 H GLN A 35 2.867 8.084 -2.786 1.00 0.00 H new ATOM 0 HA GLN A 35 3.840 8.086 -5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.505 7.205 -4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.372 6.536 -3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.722 4.521 -3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.884 5.073 -5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.284 3.257 -4.819 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.517 3.809 -5.958 1.00 0.00 H new ATOM 457 N ASP A 36 1.931 6.833 -6.516 1.00 0.00 N ATOM 458 CA ASP A 36 0.834 6.059 -7.105 1.00 0.00 C ATOM 459 C ASP A 36 1.244 4.593 -7.159 1.00 0.00 C ATOM 460 O ASP A 36 2.146 4.205 -7.912 1.00 0.00 O ATOM 461 CB ASP A 36 0.446 6.578 -8.494 1.00 0.00 C ATOM 462 CG ASP A 36 -0.198 7.951 -8.445 1.00 0.00 C ATOM 463 OD1 ASP A 36 0.542 8.952 -8.344 1.00 0.00 O ATOM 464 OD2 ASP A 36 -1.443 8.026 -8.511 1.00 0.00 O1- ATOM 0 H ASP A 36 2.413 7.450 -7.170 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.052 6.170 -6.479 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.335 6.620 -9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.243 5.874 -8.961 1.00 0.00 H new ATOM 469 N VAL A 37 0.572 3.802 -6.340 1.00 0.00 N ATOM 470 CA VAL A 37 0.863 2.383 -6.196 1.00 0.00 C ATOM 471 C VAL A 37 -0.278 1.499 -6.674 1.00 0.00 C ATOM 472 O VAL A 37 -1.391 1.970 -6.929 1.00 0.00 O ATOM 473 CB VAL A 37 1.162 2.022 -4.710 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.504 2.594 -4.274 1.00 0.00 C ATOM 475 CG2 VAL A 37 0.028 2.471 -3.759 1.00 0.00 C ATOM 0 H VAL A 37 -0.196 4.127 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 37 1.738 2.196 -6.819 1.00 0.00 H new ATOM 0 HB VAL A 37 1.215 0.935 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.691 2.329 -3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.295 2.184 -4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.487 3.679 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.282 2.197 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.096 3.552 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.902 1.981 -4.045 1.00 0.00 H new ATOM 485 N LEU A 38 0.034 0.212 -6.786 1.00 0.00 N ATOM 486 CA LEU A 38 -0.930 -0.785 -7.182 1.00 0.00 C ATOM 487 C LEU A 38 -1.007 -1.847 -6.105 1.00 0.00 C ATOM 488 O LEU A 38 -0.147 -2.730 -5.995 1.00 0.00 O ATOM 489 CB LEU A 38 -0.556 -1.368 -8.545 1.00 0.00 C ATOM 490 CG LEU A 38 -0.673 -0.383 -9.713 1.00 0.00 C ATOM 491 CD1 LEU A 38 0.018 -0.929 -10.950 1.00 0.00 C ATOM 492 CD2 LEU A 38 -2.133 -0.076 -10.002 1.00 0.00 C ATOM 0 H LEU A 38 0.966 -0.160 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.918 -0.337 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.469 -1.737 -8.499 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.196 -2.227 -8.746 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.175 0.545 -9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.078 -0.213 -11.766 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.074 -1.094 -10.734 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.445 -1.873 -11.239 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.200 0.625 -10.834 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.654 -0.998 -10.261 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.594 0.365 -9.118 1.00 0.00 H new ATOM 504 N ALA A 39 -2.057 -1.723 -5.302 1.00 0.00 N ATOM 505 CA ALA A 39 -2.318 -2.621 -4.196 1.00 0.00 C ATOM 506 C ALA A 39 -3.204 -3.774 -4.665 1.00 0.00 C ATOM 507 O ALA A 39 -4.403 -3.601 -4.900 1.00 0.00 O ATOM 508 CB ALA A 39 -2.971 -1.832 -3.065 1.00 0.00 C ATOM 0 H ALA A 39 -2.755 -0.987 -5.406 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.387 -3.051 -3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.173 -2.498 -2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.301 -1.035 -2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.907 -1.398 -3.417 1.00 0.00 H new ATOM 514 N ARG A 40 -2.594 -4.949 -4.825 1.00 0.00 N ATOM 515 CA ARG A 40 -3.302 -6.146 -5.289 1.00 0.00 C ATOM 516 C ARG A 40 -4.258 -6.682 -4.221 1.00 0.00 C ATOM 517 O ARG A 40 -3.866 -6.870 -3.064 1.00 0.00 O ATOM 518 CB ARG A 40 -2.288 -7.225 -5.665 1.00 0.00 C ATOM 519 CG ARG A 40 -2.632 -7.996 -6.934 1.00 0.00 C ATOM 520 CD ARG A 40 -1.383 -8.535 -7.614 1.00 0.00 C ATOM 521 NE ARG A 40 -0.707 -7.510 -8.419 1.00 0.00 N ATOM 522 CZ ARG A 40 -0.076 -7.742 -9.580 1.00 0.00 C ATOM 523 NH1 ARG A 40 -0.017 -8.967 -10.100 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 0.501 -6.737 -10.223 1.00 0.00 N ATOM 0 H ARG A 40 -1.602 -5.099 -4.639 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.895 -5.873 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.310 -6.760 -5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.202 -7.930 -4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.300 -8.822 -6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.170 -7.344 -7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.695 -8.915 -6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.652 -9.377 -8.252 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.718 -6.552 -8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.456 -9.749 -9.614 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.467 -9.123 -10.984 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.464 -5.795 -9.835 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.983 -6.906 -11.106 1.00 0.00 H new ATOM 538 N TRP A 41 -5.512 -6.918 -4.625 1.00 0.00 N ATOM 539 CA TRP A 41 -6.542 -7.428 -3.718 1.00 0.00 C ATOM 540 C TRP A 41 -6.571 -8.966 -3.731 1.00 0.00 C ATOM 541 O TRP A 41 -6.138 -9.597 -4.700 1.00 0.00 O ATOM 542 CB TRP A 41 -7.907 -6.811 -4.078 1.00 0.00 C ATOM 543 CG TRP A 41 -8.995 -7.012 -3.040 1.00 0.00 C ATOM 544 CD1 TRP A 41 -8.869 -6.989 -1.673 1.00 0.00 C ATOM 545 CD2 TRP A 41 -10.380 -7.251 -3.303 1.00 0.00 C ATOM 546 NE1 TRP A 41 -10.090 -7.212 -1.084 1.00 0.00 N ATOM 547 CE2 TRP A 41 -11.033 -7.373 -2.062 1.00 0.00 C ATOM 548 CE3 TRP A 41 -11.128 -7.376 -4.472 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -12.402 -7.613 -1.963 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -12.486 -7.614 -4.376 1.00 0.00 C ATOM 551 CH2 TRP A 41 -13.111 -7.730 -3.128 1.00 0.00 C ATOM 0 H TRP A 41 -5.837 -6.762 -5.579 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.303 -7.131 -2.697 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.774 -5.741 -4.241 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.244 -7.238 -5.023 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.946 -6.820 -1.139 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.265 -7.251 -0.080 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -10.654 -7.288 -5.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -12.886 -7.703 -1.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -13.074 -7.712 -5.277 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -14.174 -7.916 -3.084 1.00 0.00 H new ATOM 562 N THR A 42 -7.091 -9.548 -2.638 1.00 0.00 N ATOM 563 CA THR A 42 -7.154 -11.015 -2.455 1.00 0.00 C ATOM 564 C THR A 42 -8.159 -11.730 -3.389 1.00 0.00 C ATOM 565 O THR A 42 -8.210 -12.965 -3.403 1.00 0.00 O ATOM 566 CB THR A 42 -7.448 -11.382 -0.964 1.00 0.00 C ATOM 567 OG1 THR A 42 -7.504 -12.805 -0.800 1.00 0.00 O ATOM 568 CG2 THR A 42 -8.750 -10.760 -0.448 1.00 0.00 C ATOM 0 H THR A 42 -7.480 -9.020 -1.856 1.00 0.00 H new ATOM 0 HA THR A 42 -6.166 -11.381 -2.736 1.00 0.00 H new ATOM 0 HB THR A 42 -6.628 -10.970 -0.376 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.746 -13.223 -1.653 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.904 -11.048 0.592 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.687 -9.674 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.586 -11.115 -1.050 1.00 0.00 H new ATOM 576 N ASP A 43 -8.939 -10.963 -4.158 1.00 0.00 N ATOM 577 CA ASP A 43 -9.923 -11.545 -5.079 1.00 0.00 C ATOM 578 C ASP A 43 -9.357 -11.698 -6.498 1.00 0.00 C ATOM 579 O ASP A 43 -10.017 -12.266 -7.376 1.00 0.00 O ATOM 580 CB ASP A 43 -11.192 -10.691 -5.110 1.00 0.00 C ATOM 581 CG ASP A 43 -12.453 -11.530 -5.049 1.00 0.00 C ATOM 582 OD1 ASP A 43 -12.718 -12.276 -6.015 1.00 0.00 O ATOM 583 OD2 ASP A 43 -13.176 -11.442 -4.034 1.00 0.00 O1- ATOM 0 H ASP A 43 -8.909 -9.943 -4.162 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.167 -12.541 -4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.180 -9.996 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.201 -10.091 -6.020 1.00 0.00 H new ATOM 588 N GLY A 44 -8.133 -11.197 -6.706 1.00 0.00 N ATOM 589 CA GLY A 44 -7.490 -11.281 -8.012 1.00 0.00 C ATOM 590 C GLY A 44 -7.478 -9.953 -8.753 1.00 0.00 C ATOM 591 O GLY A 44 -6.766 -9.807 -9.751 1.00 0.00 O ATOM 0 H GLY A 44 -7.576 -10.733 -5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.465 -11.629 -7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.007 -12.025 -8.618 1.00 0.00 H new ATOM 595 N LEU A 45 -8.269 -8.986 -8.262 1.00 0.00 N ATOM 596 CA LEU A 45 -8.359 -7.660 -8.873 1.00 0.00 C ATOM 597 C LEU A 45 -7.364 -6.689 -8.240 1.00 0.00 C ATOM 598 O LEU A 45 -7.077 -6.771 -7.043 1.00 0.00 O ATOM 599 CB LEU A 45 -9.778 -7.112 -8.732 1.00 0.00 C ATOM 600 CG LEU A 45 -10.819 -7.779 -9.630 1.00 0.00 C ATOM 601 CD1 LEU A 45 -12.046 -8.170 -8.823 1.00 0.00 C ATOM 602 CD2 LEU A 45 -11.204 -6.856 -10.774 1.00 0.00 C ATOM 0 H LEU A 45 -8.858 -9.104 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.112 -7.760 -9.930 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.092 -7.221 -7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.763 -6.044 -8.950 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.382 -8.685 -10.051 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.777 -8.644 -9.478 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.757 -8.868 -8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.485 -7.279 -8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.946 -7.347 -11.404 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.622 -5.933 -10.372 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.320 -6.625 -11.368 1.00 0.00 H new ATOM 614 N LEU A 46 -6.847 -5.773 -9.067 1.00 0.00 N ATOM 615 CA LEU A 46 -5.884 -4.760 -8.632 1.00 0.00 C ATOM 616 C LEU A 46 -6.600 -3.522 -8.068 1.00 0.00 C ATOM 617 O LEU A 46 -7.781 -3.299 -8.348 1.00 0.00 O ATOM 618 CB LEU A 46 -5.000 -4.370 -9.830 1.00 0.00 C ATOM 619 CG LEU A 46 -3.782 -3.487 -9.544 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.721 -4.232 -8.741 1.00 0.00 C ATOM 621 CD2 LEU A 46 -3.215 -3.009 -10.864 1.00 0.00 C ATOM 0 H LEU A 46 -7.086 -5.715 -10.057 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.266 -5.173 -7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.649 -5.287 -10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.627 -3.855 -10.559 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.094 -2.635 -8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.873 -3.572 -8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.144 -4.552 -7.789 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.387 -5.105 -9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.346 -2.378 -10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.918 -3.868 -11.465 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.972 -2.436 -11.399 1.00 0.00 H new ATOM 633 N TYR A 47 -5.854 -2.716 -7.299 1.00 0.00 N ATOM 634 CA TYR A 47 -6.382 -1.501 -6.673 1.00 0.00 C ATOM 635 C TYR A 47 -5.370 -0.366 -6.832 1.00 0.00 C ATOM 636 O TYR A 47 -4.192 -0.537 -6.507 1.00 0.00 O ATOM 637 CB TYR A 47 -6.649 -1.724 -5.165 1.00 0.00 C ATOM 638 CG TYR A 47 -7.920 -2.486 -4.757 1.00 0.00 C ATOM 639 CD1 TYR A 47 -8.854 -2.971 -5.675 1.00 0.00 C ATOM 640 CD2 TYR A 47 -8.184 -2.693 -3.407 1.00 0.00 C ATOM 641 CE1 TYR A 47 -9.997 -3.628 -5.259 1.00 0.00 C ATOM 642 CE2 TYR A 47 -9.323 -3.354 -2.987 1.00 0.00 C ATOM 643 CZ TYR A 47 -10.226 -3.817 -3.917 1.00 0.00 C ATOM 644 OH TYR A 47 -11.366 -4.461 -3.501 1.00 0.00 O ATOM 0 H TYR A 47 -4.870 -2.890 -7.095 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.322 -1.246 -7.163 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.794 -2.258 -4.751 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.678 -0.746 -4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.680 -2.830 -6.731 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.483 -2.329 -2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.708 -3.992 -5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.504 -3.507 -1.933 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.322 -5.405 -3.761 1.00 0.00 H new ATOM 654 N LEU A 48 -5.826 0.785 -7.338 1.00 0.00 N ATOM 655 CA LEU A 48 -4.953 1.947 -7.520 1.00 0.00 C ATOM 656 C LEU A 48 -5.083 2.893 -6.329 1.00 0.00 C ATOM 657 O LEU A 48 -6.195 3.226 -5.908 1.00 0.00 O ATOM 658 CB LEU A 48 -5.271 2.676 -8.845 1.00 0.00 C ATOM 659 CG LEU A 48 -4.446 3.948 -9.145 1.00 0.00 C ATOM 660 CD1 LEU A 48 -3.043 3.603 -9.633 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.160 4.815 -10.170 1.00 0.00 C ATOM 0 H LEU A 48 -6.792 0.936 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.921 1.600 -7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.125 1.973 -9.665 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.327 2.947 -8.841 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.349 4.506 -8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.492 4.521 -9.834 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.523 3.028 -8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.111 3.013 -10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.566 5.707 -10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.292 4.252 -11.094 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.135 5.109 -9.782 1.00 0.00 H new ATOM 673 N GLY A 49 -3.933 3.315 -5.802 1.00 0.00 N ATOM 674 CA GLY A 49 -3.915 4.213 -4.654 1.00 0.00 C ATOM 675 C GLY A 49 -2.616 4.979 -4.514 1.00 0.00 C ATOM 676 O GLY A 49 -1.608 4.588 -5.085 1.00 0.00 O ATOM 0 H GLY A 49 -3.011 3.051 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.739 4.921 -4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.088 3.635 -3.746 1.00 0.00 H new ATOM 680 N THR A 50 -2.656 6.088 -3.768 1.00 0.00 N ATOM 681 CA THR A 50 -1.462 6.904 -3.518 1.00 0.00 C ATOM 682 C THR A 50 -0.984 6.679 -2.092 1.00 0.00 C ATOM 683 O THR A 50 -1.793 6.457 -1.192 1.00 0.00 O ATOM 684 CB THR A 50 -1.700 8.413 -3.754 1.00 0.00 C ATOM 685 OG1 THR A 50 -3.024 8.649 -4.254 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.675 8.957 -4.744 1.00 0.00 C ATOM 0 H THR A 50 -3.504 6.442 -3.326 1.00 0.00 H new ATOM 0 HA THR A 50 -0.702 6.587 -4.233 1.00 0.00 H new ATOM 0 HB THR A 50 -1.591 8.927 -2.799 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.154 9.610 -4.395 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.852 10.021 -4.903 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.329 8.812 -4.345 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.769 8.428 -5.692 1.00 0.00 H new ATOM 694 N ILE A 51 0.332 6.753 -1.890 1.00 0.00 N ATOM 695 CA ILE A 51 0.939 6.506 -0.576 1.00 0.00 C ATOM 696 C ILE A 51 0.743 7.670 0.399 1.00 0.00 C ATOM 697 O ILE A 51 1.190 8.791 0.155 1.00 0.00 O ATOM 698 CB ILE A 51 2.457 6.154 -0.716 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.635 4.891 -1.593 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.148 5.967 0.647 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.088 3.607 -0.983 1.00 0.00 C ATOM 0 H ILE A 51 1.004 6.983 -2.622 1.00 0.00 H new ATOM 0 HA ILE A 51 0.416 5.648 -0.152 1.00 0.00 H new ATOM 0 HB ILE A 51 2.941 7.002 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.144 5.059 -2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.697 4.755 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.199 5.724 0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.070 6.888 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.665 5.156 1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.258 2.777 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.595 3.408 -0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.018 3.716 -0.804 1.00 0.00 H new ATOM 713 N LYS A 52 0.058 7.363 1.500 1.00 0.00 N ATOM 714 CA LYS A 52 -0.194 8.331 2.565 1.00 0.00 C ATOM 715 C LYS A 52 0.821 8.151 3.697 1.00 0.00 C ATOM 716 O LYS A 52 1.151 9.110 4.401 1.00 0.00 O ATOM 717 CB LYS A 52 -1.619 8.177 3.112 1.00 0.00 C ATOM 718 CG LYS A 52 -2.548 9.337 2.769 1.00 0.00 C ATOM 719 CD LYS A 52 -2.506 10.428 3.831 1.00 0.00 C ATOM 720 CE LYS A 52 -3.274 11.664 3.394 1.00 0.00 C ATOM 721 NZ LYS A 52 -3.348 12.682 4.476 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.336 6.439 1.678 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.088 9.332 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.048 7.254 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.571 8.073 4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.264 9.757 1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.568 8.968 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.927 10.047 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.470 10.697 4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.793 12.099 2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.282 11.378 3.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.880 13.510 4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.829 12.275 5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.387 12.974 4.744 1.00 0.00 H new ATOM 735 N LYS A 53 1.308 6.906 3.863 1.00 0.00 N ATOM 736 CA LYS A 53 2.290 6.568 4.896 1.00 0.00 C ATOM 737 C LYS A 53 3.229 5.467 4.391 1.00 0.00 C ATOM 738 O LYS A 53 2.901 4.753 3.438 1.00 0.00 O ATOM 739 CB LYS A 53 1.580 6.117 6.180 1.00 0.00 C ATOM 740 CG LYS A 53 2.289 6.546 7.464 1.00 0.00 C ATOM 741 CD LYS A 53 2.261 5.447 8.523 1.00 0.00 C ATOM 742 CE LYS A 53 3.386 4.438 8.319 1.00 0.00 C ATOM 743 NZ LYS A 53 4.609 4.808 9.082 1.00 0.00 N1+ ATOM 0 H LYS A 53 1.029 6.114 3.284 1.00 0.00 H new ATOM 0 HA LYS A 53 2.881 7.456 5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.567 6.520 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.491 5.031 6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.323 6.807 7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.813 7.443 7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.348 5.894 9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.300 4.933 8.489 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.048 3.450 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.626 4.372 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.443 4.712 8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.530 5.793 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.709 4.179 9.904 1.00 0.00 H new ATOM 757 N VAL A 54 4.388 5.331 5.045 1.00 0.00 N ATOM 758 CA VAL A 54 5.394 4.328 4.660 1.00 0.00 C ATOM 759 C VAL A 54 5.971 3.635 5.899 1.00 0.00 C ATOM 760 O VAL A 54 6.259 4.280 6.911 1.00 0.00 O ATOM 761 CB VAL A 54 6.551 4.957 3.811 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.671 3.952 3.523 1.00 0.00 C ATOM 763 CG2 VAL A 54 6.023 5.512 2.493 1.00 0.00 C ATOM 0 H VAL A 54 4.655 5.903 5.846 1.00 0.00 H new ATOM 0 HA VAL A 54 4.888 3.588 4.040 1.00 0.00 H new ATOM 0 HB VAL A 54 6.965 5.769 4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.450 4.434 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.095 3.600 4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.266 3.105 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.847 5.943 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.565 4.708 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.279 6.283 2.695 1.00 0.00 H new ATOM 773 N ASP A 55 6.131 2.314 5.788 1.00 0.00 N ATOM 774 CA ASP A 55 6.686 1.486 6.856 1.00 0.00 C ATOM 775 C ASP A 55 7.911 0.716 6.342 1.00 0.00 C ATOM 776 O ASP A 55 7.819 -0.461 5.968 1.00 0.00 O ATOM 777 CB ASP A 55 5.615 0.524 7.393 1.00 0.00 C ATOM 778 CG ASP A 55 4.836 1.116 8.552 1.00 0.00 C ATOM 779 OD1 ASP A 55 5.441 1.334 9.622 1.00 0.00 O ATOM 780 OD2 ASP A 55 3.622 1.360 8.388 1.00 0.00 O1- ATOM 0 H ASP A 55 5.878 1.789 4.951 1.00 0.00 H new ATOM 0 HA ASP A 55 7.006 2.128 7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.926 0.267 6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.091 -0.403 7.714 1.00 0.00 H new ATOM 785 N SER A 56 9.063 1.403 6.317 1.00 0.00 N ATOM 786 CA SER A 56 10.328 0.817 5.843 1.00 0.00 C ATOM 787 C SER A 56 10.961 -0.133 6.873 1.00 0.00 C ATOM 788 O SER A 56 11.949 -0.811 6.571 1.00 0.00 O ATOM 789 CB SER A 56 11.316 1.933 5.488 1.00 0.00 C ATOM 790 OG SER A 56 10.723 2.886 4.621 1.00 0.00 O ATOM 0 H SER A 56 9.145 2.373 6.622 1.00 0.00 H new ATOM 0 HA SER A 56 10.098 0.225 4.957 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.654 2.427 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.198 1.504 5.012 1.00 0.00 H new ATOM 0 HG SER A 56 11.374 3.588 4.412 1.00 0.00 H new ATOM 796 N ALA A 57 10.380 -0.182 8.080 1.00 0.00 N ATOM 797 CA ALA A 57 10.875 -1.049 9.154 1.00 0.00 C ATOM 798 C ALA A 57 10.194 -2.419 9.126 1.00 0.00 C ATOM 799 O ALA A 57 10.845 -3.445 9.346 1.00 0.00 O ATOM 800 CB ALA A 57 10.672 -0.382 10.507 1.00 0.00 C ATOM 0 H ALA A 57 9.563 0.372 8.336 1.00 0.00 H new ATOM 0 HA ALA A 57 11.942 -1.205 8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.044 -1.037 11.295 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.216 0.562 10.533 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.610 -0.193 10.664 1.00 0.00 H new ATOM 806 N ARG A 58 8.885 -2.421 8.850 1.00 0.00 N ATOM 807 CA ARG A 58 8.098 -3.655 8.783 1.00 0.00 C ATOM 808 C ARG A 58 7.799 -4.054 7.330 1.00 0.00 C ATOM 809 O ARG A 58 7.112 -5.051 7.081 1.00 0.00 O ATOM 810 CB ARG A 58 6.789 -3.480 9.562 1.00 0.00 C ATOM 811 CG ARG A 58 6.887 -3.887 11.027 1.00 0.00 C ATOM 812 CD ARG A 58 6.419 -5.318 11.241 1.00 0.00 C ATOM 813 NE ARG A 58 6.638 -5.771 12.619 1.00 0.00 N ATOM 814 CZ ARG A 58 6.286 -6.975 13.091 1.00 0.00 C ATOM 815 NH1 ARG A 58 5.695 -7.876 12.308 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 6.530 -7.279 14.359 1.00 0.00 N ATOM 0 H ARG A 58 8.346 -1.574 8.668 1.00 0.00 H new ATOM 0 HA ARG A 58 8.685 -4.455 9.233 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.479 -2.437 9.504 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.009 -4.071 9.082 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.918 -3.786 11.365 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.285 -3.211 11.634 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.359 -5.392 11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.949 -5.978 10.554 1.00 0.00 H new ATOM 0 HE ARG A 58 7.091 -5.123 13.264 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.503 -7.655 11.331 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.435 -8.787 12.685 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.983 -6.598 14.969 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.265 -8.194 14.724 1.00 0.00 H new ATOM 830 N GLU A 59 8.335 -3.269 6.367 1.00 0.00 N ATOM 831 CA GLU A 59 8.148 -3.502 4.916 1.00 0.00 C ATOM 832 C GLU A 59 6.666 -3.398 4.512 1.00 0.00 C ATOM 833 O GLU A 59 6.112 -4.288 3.851 1.00 0.00 O ATOM 834 CB GLU A 59 8.748 -4.858 4.485 1.00 0.00 C ATOM 835 CG GLU A 59 10.263 -4.834 4.340 1.00 0.00 C ATOM 836 CD GLU A 59 10.708 -4.485 2.932 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.524 -5.323 2.025 1.00 0.00 O ATOM 838 OE2 GLU A 59 11.241 -3.372 2.738 1.00 0.00 O1- ATOM 0 H GLU A 59 8.911 -2.454 6.575 1.00 0.00 H new ATOM 0 HA GLU A 59 8.687 -2.715 4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.473 -5.617 5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.305 -5.157 3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.680 -4.109 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.666 -5.809 4.614 1.00 0.00 H new ATOM 845 N VAL A 60 6.036 -2.289 4.922 1.00 0.00 N ATOM 846 CA VAL A 60 4.619 -2.023 4.629 1.00 0.00 C ATOM 847 C VAL A 60 4.418 -0.546 4.240 1.00 0.00 C ATOM 848 O VAL A 60 5.338 0.262 4.367 1.00 0.00 O ATOM 849 CB VAL A 60 3.681 -2.354 5.836 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.298 -2.754 5.351 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.244 -3.445 6.747 1.00 0.00 C ATOM 0 H VAL A 60 6.490 -1.554 5.463 1.00 0.00 H new ATOM 0 HA VAL A 60 4.350 -2.677 3.799 1.00 0.00 H new ATOM 0 HB VAL A 60 3.612 -1.441 6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.663 -2.980 6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.861 -1.934 4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.376 -3.636 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.549 -3.630 7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.382 -4.362 6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.203 -3.122 7.152 1.00 0.00 H new ATOM 861 N CYS A 61 3.213 -0.216 3.735 1.00 0.00 N ATOM 862 CA CYS A 61 2.863 1.161 3.342 1.00 0.00 C ATOM 863 C CYS A 61 1.370 1.385 3.439 1.00 0.00 C ATOM 864 O CYS A 61 0.578 0.479 3.159 1.00 0.00 O ATOM 865 CB CYS A 61 3.272 1.495 1.897 1.00 0.00 C ATOM 866 SG CYS A 61 4.373 0.312 1.112 1.00 0.00 S ATOM 0 H CYS A 61 2.462 -0.890 3.589 1.00 0.00 H new ATOM 0 HA CYS A 61 3.410 1.805 4.031 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.369 1.581 1.293 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.754 2.473 1.891 1.00 0.00 H new ATOM 0 HG CYS A 61 5.134 -0.236 2.012 1.00 0.00 H new ATOM 872 N LEU A 62 0.994 2.598 3.842 1.00 0.00 N ATOM 873 CA LEU A 62 -0.405 2.977 3.907 1.00 0.00 C ATOM 874 C LEU A 62 -0.708 3.849 2.708 1.00 0.00 C ATOM 875 O LEU A 62 -0.026 4.850 2.472 1.00 0.00 O ATOM 876 CB LEU A 62 -0.757 3.717 5.206 1.00 0.00 C ATOM 877 CG LEU A 62 -2.122 3.363 5.855 1.00 0.00 C ATOM 878 CD1 LEU A 62 -3.223 3.125 4.811 1.00 0.00 C ATOM 879 CD2 LEU A 62 -1.980 2.152 6.767 1.00 0.00 C ATOM 0 H LEU A 62 1.644 3.331 4.127 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.012 2.072 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.029 3.520 5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.743 4.788 5.004 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.427 4.224 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.157 2.881 5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.359 4.026 4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.936 2.299 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.946 1.918 7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.632 1.298 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.260 2.372 7.555 1.00 0.00 H new ATOM 891 N VAL A 63 -1.723 3.456 1.954 1.00 0.00 N ATOM 892 CA VAL A 63 -2.092 4.170 0.742 1.00 0.00 C ATOM 893 C VAL A 63 -3.585 4.489 0.714 1.00 0.00 C ATOM 894 O VAL A 63 -4.414 3.699 1.178 1.00 0.00 O ATOM 895 CB VAL A 63 -1.652 3.370 -0.540 1.00 0.00 C ATOM 896 CG1 VAL A 63 -1.007 2.038 -0.181 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.796 3.140 -1.513 1.00 0.00 C ATOM 0 H VAL A 63 -2.306 2.645 2.161 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.558 5.120 0.741 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.913 3.998 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.717 1.516 -1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.123 2.215 0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.718 1.428 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.432 2.584 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.584 2.571 -1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.193 4.101 -1.841 1.00 0.00 H new ATOM 907 N GLN A 64 -3.901 5.664 0.162 1.00 0.00 N ATOM 908 CA GLN A 64 -5.278 6.118 0.008 1.00 0.00 C ATOM 909 C GLN A 64 -5.755 5.710 -1.386 1.00 0.00 C ATOM 910 O GLN A 64 -5.012 5.853 -2.361 1.00 0.00 O ATOM 911 CB GLN A 64 -5.383 7.639 0.190 1.00 0.00 C ATOM 912 CG GLN A 64 -6.785 8.135 0.554 1.00 0.00 C ATOM 913 CD GLN A 64 -6.797 9.006 1.796 1.00 0.00 C ATOM 914 OE1 GLN A 64 -6.207 10.087 1.818 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.474 8.539 2.839 1.00 0.00 N ATOM 0 H GLN A 64 -3.207 6.324 -0.189 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.905 5.660 0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.687 7.949 0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.066 8.126 -0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.195 8.699 -0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.439 7.277 0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.948 7.638 2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.520 9.081 3.702 1.00 0.00 H new ATOM 924 N PHE A 65 -6.981 5.216 -1.474 1.00 0.00 N ATOM 925 CA PHE A 65 -7.523 4.734 -2.738 1.00 0.00 C ATOM 926 C PHE A 65 -8.562 5.679 -3.337 1.00 0.00 C ATOM 927 O PHE A 65 -9.074 6.571 -2.653 1.00 0.00 O ATOM 928 CB PHE A 65 -8.087 3.330 -2.511 1.00 0.00 C ATOM 929 CG PHE A 65 -7.014 2.339 -2.133 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.546 2.246 -0.829 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.455 1.527 -3.091 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.546 1.354 -0.501 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.456 0.634 -2.770 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.003 0.546 -1.475 1.00 0.00 C ATOM 0 H PHE A 65 -7.621 5.138 -0.684 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.722 4.696 -3.476 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.840 3.366 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.589 2.991 -3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.969 2.879 -0.063 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.804 1.590 -4.111 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.190 1.290 0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.029 0.003 -3.536 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.222 -0.156 -1.222 1.00 0.00 H new ATOM 944 N GLU A 66 -8.859 5.464 -4.636 1.00 0.00 N ATOM 945 CA GLU A 66 -9.821 6.280 -5.402 1.00 0.00 C ATOM 946 C GLU A 66 -11.182 6.393 -4.709 1.00 0.00 C ATOM 947 O GLU A 66 -11.751 7.486 -4.639 1.00 0.00 O ATOM 948 CB GLU A 66 -10.012 5.688 -6.802 1.00 0.00 C ATOM 949 CG GLU A 66 -10.139 6.728 -7.910 1.00 0.00 C ATOM 950 CD GLU A 66 -11.531 7.328 -8.008 1.00 0.00 C ATOM 951 OE1 GLU A 66 -11.868 8.186 -7.166 1.00 0.00 O ATOM 952 OE2 GLU A 66 -12.281 6.942 -8.930 1.00 0.00 O1- ATOM 0 H GLU A 66 -8.435 4.715 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.402 7.284 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.168 5.036 -7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.906 5.064 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.417 7.526 -7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.880 6.268 -8.864 1.00 0.00 H new ATOM 959 N ASP A 67 -11.698 5.263 -4.198 1.00 0.00 N ATOM 960 CA ASP A 67 -12.993 5.254 -3.516 1.00 0.00 C ATOM 961 C ASP A 67 -12.853 5.635 -2.016 1.00 0.00 C ATOM 962 O ASP A 67 -13.606 5.155 -1.158 1.00 0.00 O ATOM 963 CB ASP A 67 -13.655 3.881 -3.731 1.00 0.00 C ATOM 964 CG ASP A 67 -15.108 3.821 -3.281 1.00 0.00 C ATOM 965 OD1 ASP A 67 -15.959 4.456 -3.937 1.00 0.00 O ATOM 966 OD2 ASP A 67 -15.389 3.138 -2.273 1.00 0.00 O1- ATOM 0 H ASP A 67 -11.239 4.353 -4.246 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.642 6.017 -3.945 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.601 3.624 -4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.086 3.125 -3.190 1.00 0.00 H new ATOM 971 N ASP A 68 -11.875 6.529 -1.721 1.00 0.00 N ATOM 972 CA ASP A 68 -11.598 7.054 -0.360 1.00 0.00 C ATOM 973 C ASP A 68 -11.427 5.949 0.702 1.00 0.00 C ATOM 974 O ASP A 68 -12.162 5.900 1.698 1.00 0.00 O ATOM 975 CB ASP A 68 -12.686 8.060 0.066 1.00 0.00 C ATOM 976 CG ASP A 68 -12.526 9.404 -0.616 1.00 0.00 C ATOM 977 OD1 ASP A 68 -11.613 10.163 -0.225 1.00 0.00 O ATOM 978 OD2 ASP A 68 -13.313 9.698 -1.540 1.00 0.00 O1- ATOM 0 H ASP A 68 -11.249 6.910 -2.431 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.638 7.567 -0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.668 7.650 -0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.648 8.197 1.147 1.00 0.00 H new ATOM 983 N SER A 69 -10.452 5.065 0.475 1.00 0.00 N ATOM 984 CA SER A 69 -10.175 3.973 1.408 1.00 0.00 C ATOM 985 C SER A 69 -8.728 3.990 1.873 1.00 0.00 C ATOM 986 O SER A 69 -7.808 4.074 1.058 1.00 0.00 O ATOM 987 CB SER A 69 -10.482 2.613 0.769 1.00 0.00 C ATOM 988 OG SER A 69 -10.990 1.706 1.732 1.00 0.00 O ATOM 0 H SER A 69 -9.844 5.085 -0.344 1.00 0.00 H new ATOM 0 HA SER A 69 -10.824 4.122 2.271 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.207 2.740 -0.035 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.576 2.204 0.321 1.00 0.00 H new ATOM 0 HG SER A 69 -11.181 0.846 1.303 1.00 0.00 H new ATOM 994 N GLN A 70 -8.541 3.935 3.196 1.00 0.00 N ATOM 995 CA GLN A 70 -7.208 3.875 3.782 1.00 0.00 C ATOM 996 C GLN A 70 -6.914 2.414 4.098 1.00 0.00 C ATOM 997 O GLN A 70 -7.280 1.895 5.161 1.00 0.00 O ATOM 998 CB GLN A 70 -7.105 4.756 5.035 1.00 0.00 C ATOM 999 CG GLN A 70 -6.473 6.118 4.773 1.00 0.00 C ATOM 1000 CD GLN A 70 -4.956 6.074 4.730 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.293 6.087 5.766 1.00 0.00 O ATOM 1002 NE2 GLN A 70 -4.401 6.024 3.524 1.00 0.00 N ATOM 0 H GLN A 70 -9.300 3.931 3.877 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.469 4.263 3.081 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.102 4.901 5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.519 4.232 5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.846 6.508 3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.788 6.813 5.551 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.990 6.015 2.691 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.386 5.995 3.431 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.262 1.760 3.143 1.00 0.00 N ATOM 1012 CA PHE A 71 -5.959 0.341 3.241 1.00 0.00 C ATOM 1013 C PHE A 71 -4.456 0.097 3.256 1.00 0.00 C ATOM 1014 O PHE A 71 -3.733 0.558 2.367 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.633 -0.372 2.052 1.00 0.00 C ATOM 1016 CG PHE A 71 -7.945 -1.085 2.344 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.704 -0.828 3.488 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.422 -2.020 1.442 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -9.893 -1.493 3.715 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.613 -2.687 1.666 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.347 -2.424 2.804 1.00 0.00 C ATOM 0 H PHE A 71 -5.931 2.198 2.284 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.345 -0.058 4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.812 0.365 1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.931 -1.101 1.649 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.356 -0.099 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.855 -2.233 0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.467 -1.284 4.606 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.968 -3.413 0.950 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.276 -2.946 2.981 1.00 0.00 H new ATOM 1031 N LEU A 72 -3.998 -0.638 4.284 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.575 -0.966 4.449 1.00 0.00 C ATOM 1033 C LEU A 72 -2.172 -2.068 3.487 1.00 0.00 C ATOM 1034 O LEU A 72 -2.834 -3.106 3.393 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.210 -1.402 5.899 1.00 0.00 C ATOM 1036 CG LEU A 72 -3.311 -2.013 6.802 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -4.322 -0.954 7.212 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -4.003 -3.203 6.138 1.00 0.00 C ATOM 0 H LEU A 72 -4.598 -1.017 5.016 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.027 -0.049 4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.401 -2.129 5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.810 -0.528 6.414 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.822 -2.388 7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.085 -1.406 7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.816 -0.162 7.763 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.791 -0.534 6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.767 -3.599 6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.468 -2.880 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.268 -3.980 5.926 1.00 0.00 H new ATOM 1050 N VAL A 73 -1.092 -1.820 2.771 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.585 -2.789 1.788 1.00 0.00 C ATOM 1052 C VAL A 73 0.890 -3.106 1.998 1.00 0.00 C ATOM 1053 O VAL A 73 1.667 -2.262 2.451 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.781 -2.322 0.316 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -1.021 -3.519 -0.601 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -1.914 -1.303 0.183 1.00 0.00 C ATOM 0 H VAL A 73 -0.543 -0.963 2.843 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.180 -3.687 1.955 1.00 0.00 H new ATOM 0 HB VAL A 73 0.139 -1.824 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.156 -3.171 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.163 -4.190 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.916 -4.051 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.015 -1.005 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.847 -1.750 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.688 -0.426 0.790 1.00 0.00 H new ATOM 1066 N LEU A 74 1.252 -4.343 1.632 1.00 0.00 N ATOM 1067 CA LEU A 74 2.624 -4.839 1.738 1.00 0.00 C ATOM 1068 C LEU A 74 3.393 -4.539 0.459 1.00 0.00 C ATOM 1069 O LEU A 74 2.812 -4.534 -0.629 1.00 0.00 O ATOM 1070 CB LEU A 74 2.647 -6.370 1.978 1.00 0.00 C ATOM 1071 CG LEU A 74 1.903 -6.942 3.214 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.257 -6.201 4.494 1.00 0.00 C ATOM 1073 CD2 LEU A 74 0.391 -6.953 3.001 1.00 0.00 C ATOM 0 H LEU A 74 0.597 -5.027 1.253 1.00 0.00 H new ATOM 0 HA LEU A 74 3.091 -4.335 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.232 -6.850 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.690 -6.678 2.049 1.00 0.00 H new ATOM 0 HG LEU A 74 2.240 -7.972 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.711 -6.638 5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.328 -6.283 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.985 -5.150 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.098 -7.360 3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.041 -5.935 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.150 -7.572 2.137 1.00 0.00 H new ATOM 1085 N TRP A 75 4.710 -4.322 0.592 1.00 0.00 N ATOM 1086 CA TRP A 75 5.590 -4.033 -0.565 1.00 0.00 C ATOM 1087 C TRP A 75 5.583 -5.185 -1.585 1.00 0.00 C ATOM 1088 O TRP A 75 6.033 -5.020 -2.722 1.00 0.00 O ATOM 1089 CB TRP A 75 7.037 -3.748 -0.105 1.00 0.00 C ATOM 1090 CG TRP A 75 7.202 -2.558 0.817 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.246 -1.989 1.613 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.406 -1.801 1.050 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.768 -0.930 2.304 1.00 0.00 N ATOM 1094 CE2 TRP A 75 8.089 -0.794 1.983 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.718 -1.872 0.562 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 9.027 0.129 2.436 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.648 -0.953 1.016 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.298 0.035 1.945 1.00 0.00 C ATOM 0 H TRP A 75 5.196 -4.340 1.489 1.00 0.00 H new ATOM 0 HA TRP A 75 5.193 -3.142 -1.052 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.421 -4.634 0.401 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.657 -3.591 -0.988 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.223 -2.328 1.686 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.253 -0.337 2.955 1.00 0.00 H new ATOM 0 HE3 TRP A 75 9.998 -2.630 -0.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.759 0.893 3.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.662 -0.999 0.647 1.00 0.00 H new ATOM 0 HH2 TRP A 75 11.048 0.736 2.280 1.00 0.00 H new ATOM 1109 N LYS A 76 5.062 -6.346 -1.153 1.00 0.00 N ATOM 1110 CA LYS A 76 4.959 -7.545 -1.999 1.00 0.00 C ATOM 1111 C LYS A 76 3.724 -7.469 -2.907 1.00 0.00 C ATOM 1112 O LYS A 76 3.773 -7.875 -4.072 1.00 0.00 O ATOM 1113 CB LYS A 76 4.877 -8.808 -1.128 1.00 0.00 C ATOM 1114 CG LYS A 76 6.081 -9.022 -0.222 1.00 0.00 C ATOM 1115 CD LYS A 76 5.806 -10.089 0.833 1.00 0.00 C ATOM 1116 CE LYS A 76 5.586 -9.479 2.212 1.00 0.00 C ATOM 1117 NZ LYS A 76 6.871 -9.102 2.867 1.00 0.00 N1+ ATOM 0 H LYS A 76 4.701 -6.479 -0.208 1.00 0.00 H new ATOM 0 HA LYS A 76 5.852 -7.593 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.979 -8.753 -0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.766 -9.677 -1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.942 -9.316 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.340 -8.083 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.926 -10.665 0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.644 -10.785 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.953 -8.597 2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.053 -10.191 2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.676 -8.691 3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.466 -9.948 2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.369 -8.403 2.279 1.00 0.00 H new ATOM 1131 N ASP A 77 2.624 -6.941 -2.350 1.00 0.00 N ATOM 1132 CA ASP A 77 1.356 -6.790 -3.076 1.00 0.00 C ATOM 1133 C ASP A 77 1.259 -5.436 -3.791 1.00 0.00 C ATOM 1134 O ASP A 77 0.277 -5.168 -4.495 1.00 0.00 O ATOM 1135 CB ASP A 77 0.179 -6.941 -2.106 1.00 0.00 C ATOM 1136 CG ASP A 77 -0.418 -8.335 -2.131 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -1.130 -8.658 -3.105 1.00 0.00 O1- ATOM 1138 OD2 ASP A 77 -0.175 -9.102 -1.177 1.00 0.00 O ATOM 0 H ASP A 77 2.589 -6.608 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 77 1.319 -7.572 -3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.514 -6.711 -1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.593 -6.214 -2.360 1.00 0.00 H new ATOM 1143 N ILE A 78 2.284 -4.594 -3.618 1.00 0.00 N ATOM 1144 CA ILE A 78 2.305 -3.263 -4.227 1.00 0.00 C ATOM 1145 C ILE A 78 3.127 -3.249 -5.522 1.00 0.00 C ATOM 1146 O ILE A 78 4.203 -3.851 -5.600 1.00 0.00 O ATOM 1147 CB ILE A 78 2.836 -2.189 -3.230 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.876 -2.084 -2.032 1.00 0.00 C ATOM 1149 CG2 ILE A 78 2.989 -0.823 -3.908 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.488 -1.486 -0.788 1.00 0.00 C ATOM 0 H ILE A 78 3.110 -4.813 -3.060 1.00 0.00 H new ATOM 0 HA ILE A 78 1.275 -3.011 -4.480 1.00 0.00 H new ATOM 0 HB ILE A 78 3.822 -2.498 -2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.016 -1.481 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.502 -3.080 -1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.361 -0.097 -3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.694 -0.904 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.021 -0.494 -4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.740 -1.451 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.330 -2.099 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.836 -0.476 -1.003 1.00 0.00 H new ATOM 1162 N SER A 79 2.586 -2.550 -6.525 1.00 0.00 N ATOM 1163 CA SER A 79 3.229 -2.394 -7.828 1.00 0.00 C ATOM 1164 C SER A 79 3.220 -0.908 -8.228 1.00 0.00 C ATOM 1165 O SER A 79 2.159 -0.374 -8.562 1.00 0.00 O ATOM 1166 CB SER A 79 2.508 -3.240 -8.889 1.00 0.00 C ATOM 1167 OG SER A 79 3.430 -4.004 -9.645 1.00 0.00 O ATOM 0 H SER A 79 1.686 -2.076 -6.453 1.00 0.00 H new ATOM 0 HA SER A 79 4.260 -2.741 -7.762 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.792 -3.904 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.940 -2.589 -9.553 1.00 0.00 H new ATOM 0 HG SER A 79 2.946 -4.535 -10.312 1.00 0.00 H new ATOM 1173 N PRO A 80 4.389 -0.189 -8.182 1.00 0.00 N ATOM 1174 CA PRO A 80 4.452 1.246 -8.550 1.00 0.00 C ATOM 1175 C PRO A 80 3.858 1.538 -9.933 1.00 0.00 C ATOM 1176 O PRO A 80 4.290 0.969 -10.943 1.00 0.00 O ATOM 1177 CB PRO A 80 5.952 1.557 -8.520 1.00 0.00 C ATOM 1178 CG PRO A 80 6.511 0.576 -7.553 1.00 0.00 C ATOM 1179 CD PRO A 80 5.721 -0.687 -7.756 1.00 0.00 C ATOM 0 HA PRO A 80 3.863 1.862 -7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.402 1.444 -9.506 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.139 2.582 -8.200 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.573 0.408 -7.735 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.416 0.937 -6.529 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.173 -1.327 -8.514 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.657 -1.274 -6.840 1.00 0.00 H new ATOM 1187 N ALA A 81 2.855 2.428 -9.954 1.00 0.00 N ATOM 1188 CA ALA A 81 2.157 2.816 -11.186 1.00 0.00 C ATOM 1189 C ALA A 81 3.042 3.665 -12.107 1.00 0.00 C ATOM 1190 O ALA A 81 3.266 3.299 -13.264 1.00 0.00 O ATOM 1191 CB ALA A 81 0.874 3.567 -10.838 1.00 0.00 C ATOM 0 H ALA A 81 2.506 2.898 -9.118 1.00 0.00 H new ATOM 0 HA ALA A 81 1.909 1.905 -11.730 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.360 3.853 -11.755 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.225 2.923 -10.244 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.120 4.462 -10.266 1.00 0.00 H new ATOM 1197 N ALA A 82 3.544 4.803 -11.572 1.00 0.00 N ATOM 1198 CA ALA A 82 4.418 5.758 -12.299 1.00 0.00 C ATOM 1199 C ALA A 82 3.690 6.514 -13.424 1.00 0.00 C ATOM 1200 O ALA A 82 4.015 7.671 -13.703 1.00 0.00 O ATOM 1201 CB ALA A 82 5.676 5.077 -12.847 1.00 0.00 C ATOM 0 H ALA A 82 3.352 5.088 -10.612 1.00 0.00 H new ATOM 0 HA ALA A 82 4.716 6.498 -11.556 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.288 5.811 -13.372 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.248 4.651 -12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.389 4.284 -13.537 1.00 0.00 H new ATOM 1207 N LEU A 83 2.712 5.854 -14.059 1.00 0.00 N ATOM 1208 CA LEU A 83 1.938 6.451 -15.149 1.00 0.00 C ATOM 1209 C LEU A 83 0.660 7.101 -14.623 1.00 0.00 C ATOM 1210 CB LEU A 83 1.590 5.383 -16.189 1.00 0.00 C ATOM 1211 CG LEU A 83 1.539 5.872 -17.638 1.00 0.00 C ATOM 1212 CD1 LEU A 83 2.795 5.452 -18.386 1.00 0.00 C ATOM 1213 CD2 LEU A 83 0.298 5.335 -18.335 1.00 0.00 C ATOM 0 H LEU A 83 2.439 4.898 -13.832 1.00 0.00 H new ATOM 0 HA LEU A 83 2.548 7.225 -15.615 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.323 4.580 -16.120 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.621 4.953 -15.934 1.00 0.00 H new ATOM 0 HG LEU A 83 1.489 6.961 -17.635 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.742 5.808 -19.415 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.670 5.882 -17.898 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.875 4.365 -18.382 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.276 5.692 -19.365 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.320 4.245 -18.329 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.593 5.683 -17.812 1.00 0.00 H new TER 1225 LEU A 83 ATOM 1226 N ALA B 331 -23.184 7.113 -12.205 1.00 0.00 N ATOM 1227 CA ALA B 331 -22.108 7.652 -11.331 1.00 0.00 C ATOM 1228 C ALA B 331 -21.415 6.535 -10.548 1.00 0.00 C ATOM 1229 O ALA B 331 -20.189 6.541 -10.405 1.00 0.00 O ATOM 1230 CB ALA B 331 -22.674 8.696 -10.379 1.00 0.00 C ATOM 0 HA ALA B 331 -21.362 8.124 -11.970 1.00 0.00 H new ATOM 0 HB1 ALA B 331 -21.875 9.082 -9.745 1.00 0.00 H new ATOM 0 HB2 ALA B 331 -23.109 9.514 -10.953 1.00 0.00 H new ATOM 0 HB3 ALA B 331 -23.444 8.241 -9.756 1.00 0.00 H new ATOM 1235 N THR B 332 -22.210 5.582 -10.045 1.00 0.00 N ATOM 1236 CA THR B 332 -21.686 4.451 -9.273 1.00 0.00 C ATOM 1237 C THR B 332 -21.696 3.163 -10.107 1.00 0.00 C ATOM 1238 O THR B 332 -22.546 2.992 -10.986 1.00 0.00 O ATOM 1239 CB THR B 332 -22.464 4.250 -7.933 1.00 0.00 C ATOM 1240 OG1 THR B 332 -21.957 3.109 -7.226 1.00 0.00 O ATOM 1241 CG2 THR B 332 -23.975 4.085 -8.143 1.00 0.00 C ATOM 0 H THR B 332 -23.223 5.573 -10.160 1.00 0.00 H new ATOM 0 HA THR B 332 -20.653 4.687 -9.018 1.00 0.00 H new ATOM 0 HB THR B 332 -22.308 5.155 -7.346 1.00 0.00 H new ATOM 0 HG1 THR B 332 -22.453 2.997 -6.388 1.00 0.00 H new ATOM 0 HG21 THR B 332 -24.464 3.949 -7.178 1.00 0.00 H new ATOM 0 HG22 THR B 332 -24.374 4.975 -8.630 1.00 0.00 H new ATOM 0 HG23 THR B 332 -24.162 3.214 -8.771 1.00 0.00 H new ATOM 1249 N GLY B 333 -20.744 2.271 -9.812 1.00 0.00 N ATOM 1250 CA GLY B 333 -20.639 1.007 -10.529 1.00 0.00 C ATOM 1251 C GLY B 333 -19.213 0.495 -10.599 1.00 0.00 C ATOM 1252 O GLY B 333 -18.951 -0.665 -10.269 1.00 0.00 O ATOM 0 H GLY B 333 -20.041 2.405 -9.085 1.00 0.00 H new ATOM 0 HA2 GLY B 333 -21.265 0.262 -10.039 1.00 0.00 H new ATOM 0 HA3 GLY B 333 -21.026 1.133 -11.540 1.00 0.00 H new ATOM 1256 N GLY B 334 -18.296 1.368 -11.031 1.00 0.00 N ATOM 1257 CA GLY B 334 -16.892 1.003 -11.144 1.00 0.00 C ATOM 1258 C GLY B 334 -15.995 1.884 -10.295 1.00 0.00 C ATOM 1259 O GLY B 334 -15.972 3.105 -10.472 1.00 0.00 O ATOM 0 H GLY B 334 -18.507 2.328 -11.306 1.00 0.00 H new ATOM 0 HA2 GLY B 334 -16.765 -0.037 -10.844 1.00 0.00 H new ATOM 0 HA3 GLY B 334 -16.584 1.074 -12.187 1.00 0.00 H new ATOM 1263 N VAL B 335 -15.259 1.257 -9.371 1.00 0.00 N ATOM 1264 CA VAL B 335 -14.347 1.978 -8.474 1.00 0.00 C ATOM 1265 C VAL B 335 -12.888 1.816 -8.921 1.00 0.00 C ATOM 1266 O VAL B 335 -12.528 0.802 -9.524 1.00 0.00 O ATOM 1267 CB VAL B 335 -14.506 1.542 -6.987 1.00 0.00 C ATOM 1268 CG1 VAL B 335 -15.783 2.124 -6.398 1.00 0.00 C ATOM 1269 CG2 VAL B 335 -14.488 0.018 -6.815 1.00 0.00 C ATOM 0 H VAL B 335 -15.277 0.248 -9.224 1.00 0.00 H new ATOM 0 HA VAL B 335 -14.621 3.031 -8.537 1.00 0.00 H new ATOM 0 HB VAL B 335 -13.645 1.935 -6.446 1.00 0.00 H new ATOM 0 HG11 VAL B 335 -15.880 1.810 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL B 335 -15.743 3.212 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL B 335 -16.642 1.767 -6.966 1.00 0.00 H new ATOM 0 HG21 VAL B 335 -14.602 -0.230 -5.760 1.00 0.00 H new ATOM 0 HG22 VAL B 335 -15.308 -0.422 -7.382 1.00 0.00 H new ATOM 0 HG23 VAL B 335 -13.541 -0.378 -7.180 1.00 0.00 H new HETATM 1279 N M3L B 336 -12.049 2.829 -8.601 1.00 0.00 N HETATM 1280 CA M3L B 336 -10.601 2.864 -8.969 1.00 0.00 C HETATM 1281 CB M3L B 336 -9.790 1.810 -8.187 1.00 0.00 C HETATM 1282 CG M3L B 336 -9.815 2.020 -6.680 1.00 0.00 C HETATM 1283 CD M3L B 336 -10.790 1.074 -6.011 1.00 0.00 C HETATM 1284 CE M3L B 336 -11.214 1.602 -4.630 1.00 0.00 C HETATM 1285 NZ M3L B 336 -11.012 0.636 -3.475 1.00 0.00 N HETATM 1286 C M3L B 336 -10.368 2.695 -10.485 1.00 0.00 C HETATM 1287 O M3L B 336 -11.276 2.301 -11.223 1.00 0.00 O HETATM 1288 CM1 M3L B 336 -9.574 0.309 -3.269 1.00 0.00 C HETATM 1289 CM2 M3L B 336 -11.814 -0.601 -3.706 1.00 0.00 C HETATM 1290 CM3 M3L B 336 -11.474 1.273 -2.228 1.00 0.00 C HETATM 0 HM33 M3L B 336 -10.900 2.183 -2.050 1.00 0.00 H new HETATM 0 HM32 M3L B 336 -12.531 1.522 -2.317 1.00 0.00 H new HETATM 0 HM31 M3L B 336 -11.332 0.586 -1.394 1.00 0.00 H new HETATM 0 HM23 M3L B 336 -12.870 -0.342 -3.779 1.00 0.00 H new HETATM 0 HM22 M3L B 336 -11.492 -1.075 -4.633 1.00 0.00 H new HETATM 0 HM21 M3L B 336 -11.666 -1.291 -2.875 1.00 0.00 H new HETATM 0 HM13 M3L B 336 -9.172 -0.151 -4.172 1.00 0.00 H new HETATM 0 HM12 M3L B 336 -9.021 1.222 -3.050 1.00 0.00 H new HETATM 0 HM11 M3L B 336 -9.475 -0.384 -2.434 1.00 0.00 H new HETATM 0 HG3 M3L B 336 -8.816 1.865 -6.272 1.00 0.00 H new HETATM 0 HG2 M3L B 336 -10.094 3.050 -6.458 1.00 0.00 H new HETATM 0 HE3 M3L B 336 -10.655 2.514 -4.421 1.00 0.00 H new HETATM 0 HE2 M3L B 336 -12.268 1.876 -4.672 1.00 0.00 H new HETATM 0 HD3 M3L B 336 -11.670 0.948 -6.642 1.00 0.00 H new HETATM 0 HD2 M3L B 336 -10.332 0.091 -5.903 1.00 0.00 H new HETATM 0 HB3 M3L B 336 -10.183 0.819 -8.414 1.00 0.00 H new HETATM 0 HB2 M3L B 336 -8.756 1.830 -8.531 1.00 0.00 H new HETATM 0 HA M3L B 336 -10.246 3.856 -8.690 1.00 0.00 H new ATOM 1310 N LYS B 337 -9.143 3.011 -10.940 1.00 0.00 N ATOM 1311 CA LYS B 337 -8.784 2.895 -12.362 1.00 0.00 C ATOM 1312 C LYS B 337 -7.384 2.240 -12.559 1.00 0.00 C ATOM 1313 O LYS B 337 -6.528 2.805 -13.252 1.00 0.00 O ATOM 1314 CB LYS B 337 -8.864 4.285 -13.059 1.00 0.00 C ATOM 1315 CG LYS B 337 -8.111 5.427 -12.353 1.00 0.00 C ATOM 1316 CD LYS B 337 -8.963 6.106 -11.279 1.00 0.00 C ATOM 1317 CE LYS B 337 -9.556 7.418 -11.772 1.00 0.00 C ATOM 1318 NZ LYS B 337 -10.757 7.809 -10.984 1.00 0.00 N1+ ATOM 0 H LYS B 337 -8.387 3.348 -10.344 1.00 0.00 H new ATOM 0 HA LYS B 337 -9.509 2.232 -12.834 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -8.472 4.187 -14.071 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -9.913 4.567 -13.149 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -7.202 5.033 -11.898 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -7.803 6.167 -13.091 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -9.767 5.435 -10.975 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -8.353 6.293 -10.395 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -8.805 8.205 -11.705 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -9.826 7.323 -12.824 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -11.485 8.186 -11.624 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -11.131 6.976 -10.486 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -10.495 8.538 -10.291 1.00 0.00 H new ATOM 1332 N PRO B 338 -7.120 1.033 -11.957 1.00 0.00 N ATOM 1333 CA PRO B 338 -5.826 0.332 -12.085 1.00 0.00 C ATOM 1334 C PRO B 338 -5.715 -0.518 -13.363 1.00 0.00 C ATOM 1335 O PRO B 338 -6.467 -0.322 -14.321 1.00 0.00 O ATOM 1336 CB PRO B 338 -5.787 -0.579 -10.836 1.00 0.00 C ATOM 1337 CG PRO B 338 -7.024 -0.269 -10.065 1.00 0.00 C ATOM 1338 CD PRO B 338 -8.006 0.265 -11.065 1.00 0.00 C ATOM 0 HA PRO B 338 -5.000 1.040 -12.153 1.00 0.00 H new ATOM 0 HB2 PRO B 338 -5.758 -1.631 -11.121 1.00 0.00 H new ATOM 0 HB3 PRO B 338 -4.896 -0.385 -10.239 1.00 0.00 H new ATOM 0 HG2 PRO B 338 -7.412 -1.161 -9.574 1.00 0.00 H new ATOM 0 HG3 PRO B 338 -6.824 0.464 -9.283 1.00 0.00 H new ATOM 0 HD2 PRO B 338 -8.530 -0.532 -11.593 1.00 0.00 H new ATOM 0 HD3 PRO B 338 -8.766 0.893 -10.600 1.00 0.00 H new ATOM 1346 N HIS B 339 -4.758 -1.462 -13.346 1.00 0.00 N ATOM 1347 CA HIS B 339 -4.496 -2.373 -14.461 1.00 0.00 C ATOM 1348 C HIS B 339 -5.419 -3.607 -14.377 1.00 0.00 C ATOM 1349 O HIS B 339 -6.045 -3.850 -13.341 1.00 0.00 O ATOM 1350 CB HIS B 339 -2.977 -2.704 -14.451 1.00 0.00 C ATOM 1351 CG HIS B 339 -2.568 -4.147 -14.414 1.00 0.00 C ATOM 1352 ND1 HIS B 339 -2.745 -5.017 -15.464 1.00 0.00 N ATOM 1353 CD2 HIS B 339 -1.932 -4.845 -13.447 1.00 0.00 C ATOM 1354 CE1 HIS B 339 -2.235 -6.192 -15.146 1.00 0.00 C ATOM 1355 NE2 HIS B 339 -1.736 -6.115 -13.926 1.00 0.00 N ATOM 0 H HIS B 339 -4.141 -1.611 -12.547 1.00 0.00 H new ATOM 0 HA HIS B 339 -4.730 -1.917 -15.423 1.00 0.00 H new ATOM 0 HB2 HIS B 339 -2.532 -2.254 -15.338 1.00 0.00 H new ATOM 0 HB3 HIS B 339 -2.534 -2.210 -13.587 1.00 0.00 H new ATOM 0 HD2 HIS B 339 -1.634 -4.472 -12.478 1.00 0.00 H new ATOM 0 HE1 HIS B 339 -2.227 -7.068 -15.777 1.00 0.00 H new ATOM 0 HE2 HIS B 339 -1.280 -6.875 -13.422 1.00 0.00 H new ATOM 1364 N ARG B 340 -5.495 -4.370 -15.484 1.00 0.00 N ATOM 1365 CA ARG B 340 -6.354 -5.570 -15.599 1.00 0.00 C ATOM 1366 C ARG B 340 -6.226 -6.544 -14.413 1.00 0.00 C ATOM 1367 O ARG B 340 -7.229 -7.090 -13.947 1.00 0.00 O ATOM 1368 CB ARG B 340 -6.035 -6.310 -16.902 1.00 0.00 C ATOM 1369 CG ARG B 340 -7.270 -6.768 -17.659 1.00 0.00 C ATOM 1370 CD ARG B 340 -6.911 -7.335 -19.026 1.00 0.00 C ATOM 1371 NE ARG B 340 -7.392 -8.711 -19.194 1.00 0.00 N ATOM 1372 CZ ARG B 340 -8.414 -9.076 -19.983 1.00 0.00 C ATOM 1373 NH1 ARG B 340 -9.092 -8.177 -20.693 1.00 0.00 N1+ ATOM 1374 NH2 ARG B 340 -8.759 -10.354 -20.058 1.00 0.00 N ATOM 0 H ARG B 340 -4.960 -4.172 -16.330 1.00 0.00 H new ATOM 0 HA ARG B 340 -7.383 -5.210 -15.596 1.00 0.00 H new ATOM 0 HB2 ARG B 340 -5.446 -5.657 -17.546 1.00 0.00 H new ATOM 0 HB3 ARG B 340 -5.416 -7.178 -16.675 1.00 0.00 H new ATOM 0 HG2 ARG B 340 -7.794 -7.525 -17.077 1.00 0.00 H new ATOM 0 HG3 ARG B 340 -7.955 -5.929 -17.781 1.00 0.00 H new ATOM 0 HD2 ARG B 340 -7.340 -6.704 -19.804 1.00 0.00 H new ATOM 0 HD3 ARG B 340 -5.829 -7.311 -19.156 1.00 0.00 H new ATOM 0 HE ARG B 340 -6.914 -9.445 -18.672 1.00 0.00 H new ATOM 0 HH11 ARG B 340 -8.838 -7.191 -20.643 1.00 0.00 H new ATOM 0 HH12 ARG B 340 -9.866 -8.475 -21.287 1.00 0.00 H new ATOM 0 HH21 ARG B 340 -8.248 -11.053 -19.518 1.00 0.00 H new ATOM 0 HH22 ARG B 340 -9.535 -10.639 -20.656 1.00 0.00 H new ATOM 1388 N TYR B 341 -4.995 -6.747 -13.941 1.00 0.00 N ATOM 1389 CA TYR B 341 -4.728 -7.652 -12.821 1.00 0.00 C ATOM 1390 C TYR B 341 -3.876 -6.970 -11.757 1.00 0.00 C ATOM 1391 CB TYR B 341 -4.026 -8.918 -13.317 1.00 0.00 C ATOM 1392 CG TYR B 341 -4.978 -10.002 -13.773 1.00 0.00 C ATOM 1393 CD1 TYR B 341 -5.416 -10.063 -15.090 1.00 0.00 C ATOM 1394 CD2 TYR B 341 -5.442 -10.965 -12.883 1.00 0.00 C ATOM 1395 CE1 TYR B 341 -6.287 -11.050 -15.509 1.00 0.00 C ATOM 1396 CE2 TYR B 341 -6.312 -11.957 -13.295 1.00 0.00 C ATOM 1397 CZ TYR B 341 -6.732 -11.994 -14.608 1.00 0.00 C ATOM 1398 OH TYR B 341 -7.599 -12.979 -15.021 1.00 0.00 O ATOM 0 H TYR B 341 -4.163 -6.294 -14.319 1.00 0.00 H new ATOM 0 HA TYR B 341 -5.684 -7.924 -12.374 1.00 0.00 H new ATOM 0 HB2 TYR B 341 -3.365 -8.656 -14.143 1.00 0.00 H new ATOM 0 HB3 TYR B 341 -3.398 -9.311 -12.518 1.00 0.00 H new ATOM 0 HD1 TYR B 341 -5.069 -9.326 -15.799 1.00 0.00 H new ATOM 0 HD2 TYR B 341 -5.117 -10.937 -11.853 1.00 0.00 H new ATOM 0 HE1 TYR B 341 -6.618 -11.082 -16.537 1.00 0.00 H new ATOM 0 HE2 TYR B 341 -6.661 -12.699 -12.592 1.00 0.00 H new ATOM 0 HH TYR B 341 -7.814 -13.564 -14.265 1.00 0.00 H new TER 1408 TYR B 341