USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 704 hydrogens (19 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 336 M3L H2 : B 336 M3L N : B 335 VAL C :(H bumps) USER MOD NoAdj-H: B 336 M3L H : B 336 M3L N : B 335 VAL C :(H bumps) USER MOD Set 1.1: A 52 LYS NZ :NH3+ 154:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 64 GLN : amide:sc= -0.587! C(o=0.64!,f=-6.5!) USER MOD Single : A 5 SER OG : rot 32:sc= 0.0173 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 48:sc= 0.272 USER MOD Single : A 13 SER OG : rot 180:sc= 0.00404 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= -1.27 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc=-0.00233 K(o=-0.0023,f=-3.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 47 TYR OH : rot 84:sc= 2.07 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -51:sc= 0.419 USER MOD Single : A 61 CYS SG : rot 103:sc= -10.8! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -1.22 F(o=-2.2!,f=-1.2) 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+ 160:sc= 1.02 (180deg=0.819) USER MOD Single : B 339 HIS : no HD1:sc= -0.916 X(o=-0.92,f=-0.81) USER MOD Single : B 341 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 15.671 -26.248 -3.667 1.00 0.00 N ATOM 2 CA SER A 5 16.348 -24.931 -3.554 1.00 0.00 C ATOM 3 C SER A 5 16.373 -24.455 -2.105 1.00 0.00 C ATOM 4 O SER A 5 15.398 -24.635 -1.369 1.00 0.00 O ATOM 5 CB SER A 5 15.636 -23.895 -4.426 1.00 0.00 C ATOM 6 OG SER A 5 15.730 -24.233 -5.799 1.00 0.00 O ATOM 0 HA SER A 5 17.375 -25.047 -3.899 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.588 -23.829 -4.135 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.075 -22.911 -4.259 1.00 0.00 H new ATOM 0 HG SER A 5 15.755 -25.208 -5.895 1.00 0.00 H new ATOM 11 N ARG A 6 17.496 -23.847 -1.710 1.00 0.00 N ATOM 12 CA ARG A 6 17.670 -23.332 -0.347 1.00 0.00 C ATOM 13 C ARG A 6 17.402 -21.828 -0.292 1.00 0.00 C ATOM 14 O ARG A 6 17.708 -21.101 -1.243 1.00 0.00 O ATOM 15 CB ARG A 6 19.082 -23.649 0.197 1.00 0.00 C ATOM 16 CG ARG A 6 20.237 -23.356 -0.766 1.00 0.00 C ATOM 17 CD ARG A 6 21.588 -23.604 -0.112 1.00 0.00 C ATOM 18 NE ARG A 6 21.945 -25.027 -0.106 1.00 0.00 N ATOM 19 CZ ARG A 6 22.935 -25.572 -0.827 1.00 0.00 C ATOM 20 NH1 ARG A 6 23.692 -24.830 -1.633 1.00 0.00 N1+ ATOM 21 NH2 ARG A 6 23.168 -26.874 -0.739 1.00 0.00 N ATOM 0 H ARG A 6 18.302 -23.699 -2.318 1.00 0.00 H new ATOM 0 HA ARG A 6 16.942 -23.835 0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 6 19.238 -23.075 1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 6 19.119 -24.703 0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 6 20.141 -23.983 -1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 6 20.179 -22.320 -1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 6 22.356 -23.040 -0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 6 21.569 -23.231 0.912 1.00 0.00 H new ATOM 0 HE ARG A 6 21.399 -25.648 0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 6 23.524 -23.827 -1.710 1.00 0.00 H new ATOM 0 HH12 ARG A 6 24.440 -25.265 -2.173 1.00 0.00 H new ATOM 0 HH21 ARG A 6 22.596 -27.454 -0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 6 23.920 -27.296 -1.285 1.00 0.00 H new ATOM 35 N LEU A 7 16.828 -21.375 0.827 1.00 0.00 N ATOM 36 CA LEU A 7 16.510 -19.962 1.023 1.00 0.00 C ATOM 37 C LEU A 7 17.237 -19.393 2.244 1.00 0.00 C ATOM 38 O LEU A 7 17.878 -18.344 2.151 1.00 0.00 O ATOM 39 CB LEU A 7 14.996 -19.772 1.169 1.00 0.00 C ATOM 40 CG LEU A 7 14.206 -19.825 -0.140 1.00 0.00 C ATOM 41 CD1 LEU A 7 13.059 -20.818 -0.030 1.00 0.00 C ATOM 42 CD2 LEU A 7 13.684 -18.444 -0.503 1.00 0.00 C ATOM 0 H LEU A 7 16.574 -21.973 1.614 1.00 0.00 H new ATOM 0 HA LEU A 7 16.852 -19.416 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 7 14.612 -20.542 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.811 -18.811 1.648 1.00 0.00 H new ATOM 0 HG LEU A 7 14.875 -20.159 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.508 -20.843 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.456 -21.810 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.390 -20.513 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.125 -18.500 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.030 -18.082 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.523 -17.758 -0.623 1.00 0.00 H new ATOM 54 N SER A 8 17.134 -20.110 3.391 1.00 0.00 N ATOM 55 CA SER A 8 17.761 -19.723 4.683 1.00 0.00 C ATOM 56 C SER A 8 17.101 -18.479 5.301 1.00 0.00 C ATOM 57 O SER A 8 16.685 -18.509 6.464 1.00 0.00 O ATOM 58 CB SER A 8 19.283 -19.511 4.547 1.00 0.00 C ATOM 59 OG SER A 8 19.984 -20.732 4.705 1.00 0.00 O ATOM 0 H SER A 8 16.608 -20.982 3.447 1.00 0.00 H new ATOM 0 HA SER A 8 17.595 -20.561 5.360 1.00 0.00 H new ATOM 0 HB2 SER A 8 19.508 -19.083 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.622 -18.794 5.295 1.00 0.00 H new ATOM 0 HG SER A 8 20.946 -20.571 4.613 1.00 0.00 H new ATOM 65 N ARG A 9 17.013 -17.398 4.517 1.00 0.00 N ATOM 66 CA ARG A 9 16.406 -16.145 4.966 1.00 0.00 C ATOM 67 C ARG A 9 15.081 -15.899 4.243 1.00 0.00 C ATOM 68 O ARG A 9 14.806 -16.520 3.211 1.00 0.00 O ATOM 69 CB ARG A 9 17.368 -14.979 4.718 1.00 0.00 C ATOM 70 CG ARG A 9 18.408 -14.799 5.812 1.00 0.00 C ATOM 71 CD ARG A 9 19.490 -13.816 5.394 1.00 0.00 C ATOM 72 NE ARG A 9 20.238 -13.297 6.543 1.00 0.00 N ATOM 73 CZ ARG A 9 21.144 -12.310 6.482 1.00 0.00 C ATOM 74 NH1 ARG A 9 21.434 -11.712 5.329 1.00 0.00 N1+ ATOM 75 NH2 ARG A 9 21.761 -11.919 7.588 1.00 0.00 N ATOM 0 H ARG A 9 17.360 -17.370 3.558 1.00 0.00 H new ATOM 0 HA ARG A 9 16.206 -16.219 6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.878 -15.136 3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 9 16.792 -14.059 4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 9 17.924 -14.444 6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.861 -15.762 6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 9 20.178 -14.306 4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.036 -12.986 4.853 1.00 0.00 H new ATOM 0 HE ARG A 9 20.056 -13.717 7.455 1.00 0.00 H new ATOM 0 HH11 ARG A 9 20.964 -12.003 4.472 1.00 0.00 H new ATOM 0 HH12 ARG A 9 22.126 -10.963 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 9 21.546 -12.368 8.478 1.00 0.00 H new ATOM 0 HH22 ARG A 9 22.451 -11.169 7.549 1.00 0.00 H new ATOM 89 N SER A 10 14.264 -14.985 4.790 1.00 0.00 N ATOM 90 CA SER A 10 12.964 -14.644 4.201 1.00 0.00 C ATOM 91 C SER A 10 13.124 -13.621 3.071 1.00 0.00 C ATOM 92 O SER A 10 13.361 -12.431 3.317 1.00 0.00 O ATOM 93 CB SER A 10 12.013 -14.111 5.282 1.00 0.00 C ATOM 94 OG SER A 10 12.614 -13.064 6.023 1.00 0.00 O ATOM 0 H SER A 10 14.484 -14.469 5.642 1.00 0.00 H new ATOM 0 HA SER A 10 12.534 -15.550 3.774 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.095 -13.751 4.817 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.732 -14.921 5.955 1.00 0.00 H new ATOM 0 HG SER A 10 13.020 -12.419 5.407 1.00 0.00 H new ATOM 100 N GLY A 11 13.008 -14.111 1.831 1.00 0.00 N ATOM 101 CA GLY A 11 13.144 -13.257 0.659 1.00 0.00 C ATOM 102 C GLY A 11 14.542 -13.308 0.068 1.00 0.00 C ATOM 103 O GLY A 11 15.258 -12.302 0.071 1.00 0.00 O ATOM 0 H GLY A 11 12.821 -15.091 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.421 -13.563 -0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.904 -12.229 0.931 1.00 0.00 H new ATOM 107 N ALA A 12 14.922 -14.486 -0.437 1.00 0.00 N ATOM 108 CA ALA A 12 16.245 -14.695 -1.036 1.00 0.00 C ATOM 109 C ALA A 12 16.225 -14.480 -2.552 1.00 0.00 C ATOM 110 O ALA A 12 17.231 -14.063 -3.134 1.00 0.00 O ATOM 111 CB ALA A 12 16.752 -16.092 -0.710 1.00 0.00 C ATOM 0 H ALA A 12 14.328 -15.315 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 12 16.922 -13.955 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 12 17.734 -16.237 -1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.827 -16.209 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 12 16.059 -16.833 -1.108 1.00 0.00 H new ATOM 117 N SER A 13 15.077 -14.770 -3.180 1.00 0.00 N ATOM 118 CA SER A 13 14.914 -14.617 -4.629 1.00 0.00 C ATOM 119 C SER A 13 14.432 -13.208 -4.996 1.00 0.00 C ATOM 120 O SER A 13 14.900 -12.627 -5.979 1.00 0.00 O ATOM 121 CB SER A 13 13.933 -15.663 -5.168 1.00 0.00 C ATOM 122 OG SER A 13 12.722 -15.661 -4.430 1.00 0.00 O ATOM 0 H SER A 13 14.244 -15.114 -2.702 1.00 0.00 H new ATOM 0 HA SER A 13 15.890 -14.769 -5.089 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.722 -15.460 -6.218 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.389 -16.652 -5.120 1.00 0.00 H new ATOM 0 HG SER A 13 12.114 -16.337 -4.797 1.00 0.00 H new ATOM 128 N SER A 14 13.500 -12.672 -4.196 1.00 0.00 N ATOM 129 CA SER A 14 12.953 -11.336 -4.426 1.00 0.00 C ATOM 130 C SER A 14 13.036 -10.486 -3.157 1.00 0.00 C ATOM 131 O SER A 14 12.365 -10.772 -2.159 1.00 0.00 O ATOM 132 CB SER A 14 11.502 -11.431 -4.912 1.00 0.00 C ATOM 133 OG SER A 14 11.180 -10.351 -5.771 1.00 0.00 O ATOM 0 H SER A 14 13.111 -13.148 -3.382 1.00 0.00 H new ATOM 0 HA SER A 14 13.550 -10.852 -5.198 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.352 -12.374 -5.437 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.828 -11.432 -4.056 1.00 0.00 H new ATOM 0 HG SER A 14 10.250 -10.436 -6.068 1.00 0.00 H new ATOM 139 N LEU A 15 13.880 -9.448 -3.208 1.00 0.00 N ATOM 140 CA LEU A 15 14.073 -8.535 -2.078 1.00 0.00 C ATOM 141 C LEU A 15 14.155 -7.083 -2.553 1.00 0.00 C ATOM 142 O LEU A 15 13.520 -6.200 -1.971 1.00 0.00 O ATOM 143 CB LEU A 15 15.352 -8.908 -1.287 1.00 0.00 C ATOM 144 CG LEU A 15 15.315 -8.744 0.256 1.00 0.00 C ATOM 145 CD1 LEU A 15 15.232 -7.276 0.666 1.00 0.00 C ATOM 146 CD2 LEU A 15 14.171 -9.541 0.883 1.00 0.00 C ATOM 0 H LEU A 15 14.443 -9.220 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 15 13.210 -8.633 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.593 -9.948 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.173 -8.302 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 15 16.254 -9.147 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.208 -7.203 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.103 -6.742 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.326 -6.833 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.179 -9.400 1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.221 -9.193 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.297 -10.599 0.654 1.00 0.00 H new ATOM 158 N TRP A 16 14.940 -6.850 -3.613 1.00 0.00 N ATOM 159 CA TRP A 16 15.119 -5.508 -4.175 1.00 0.00 C ATOM 160 C TRP A 16 14.959 -5.516 -5.695 1.00 0.00 C ATOM 161 O TRP A 16 15.194 -6.537 -6.349 1.00 0.00 O ATOM 162 CB TRP A 16 16.492 -4.921 -3.783 1.00 0.00 C ATOM 163 CG TRP A 16 17.656 -5.868 -3.947 1.00 0.00 C ATOM 164 CD1 TRP A 16 18.233 -6.627 -2.969 1.00 0.00 C ATOM 165 CD2 TRP A 16 18.380 -6.154 -5.156 1.00 0.00 C ATOM 166 NE1 TRP A 16 19.268 -7.364 -3.491 1.00 0.00 N ATOM 167 CE2 TRP A 16 19.378 -7.093 -4.829 1.00 0.00 C ATOM 168 CE3 TRP A 16 18.282 -5.711 -6.481 1.00 0.00 C ATOM 169 CZ2 TRP A 16 20.269 -7.593 -5.776 1.00 0.00 C ATOM 170 CZ3 TRP A 16 19.169 -6.209 -7.418 1.00 0.00 C ATOM 171 CH2 TRP A 16 20.150 -7.142 -7.061 1.00 0.00 C ATOM 0 H TRP A 16 15.463 -7.578 -4.099 1.00 0.00 H new ATOM 0 HA TRP A 16 14.340 -4.872 -3.755 1.00 0.00 H new ATOM 0 HB2 TRP A 16 16.677 -4.032 -4.386 1.00 0.00 H new ATOM 0 HB3 TRP A 16 16.449 -4.597 -2.743 1.00 0.00 H new ATOM 0 HD1 TRP A 16 17.921 -6.645 -1.935 1.00 0.00 H new ATOM 0 HE1 TRP A 16 19.859 -8.009 -2.967 1.00 0.00 H new ATOM 0 HE3 TRP A 16 17.527 -4.993 -6.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 21.028 -8.312 -5.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 19.104 -5.873 -8.442 1.00 0.00 H new ATOM 0 HH2 TRP A 16 20.827 -7.513 -7.816 1.00 0.00 H new ATOM 182 N ASP A 17 14.559 -4.362 -6.242 1.00 0.00 N ATOM 183 CA ASP A 17 14.361 -4.196 -7.684 1.00 0.00 C ATOM 184 C ASP A 17 15.647 -3.682 -8.357 1.00 0.00 C ATOM 185 O ASP A 17 16.510 -3.123 -7.670 1.00 0.00 O ATOM 186 CB ASP A 17 13.208 -3.222 -7.941 1.00 0.00 C ATOM 187 CG ASP A 17 11.987 -3.910 -8.521 1.00 0.00 C ATOM 188 OD1 ASP A 17 11.183 -4.454 -7.735 1.00 0.00 O1- ATOM 189 OD2 ASP A 17 11.837 -3.907 -9.761 1.00 0.00 O ATOM 0 H ASP A 17 14.365 -3.521 -5.699 1.00 0.00 H new ATOM 0 HA ASP A 17 14.115 -5.167 -8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.935 -2.732 -7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.541 -2.442 -8.625 1.00 0.00 H new ATOM 194 N PRO A 18 15.811 -3.858 -9.712 1.00 0.00 N ATOM 195 CA PRO A 18 17.014 -3.395 -10.445 1.00 0.00 C ATOM 196 C PRO A 18 17.292 -1.898 -10.265 1.00 0.00 C ATOM 197 O PRO A 18 16.363 -1.107 -10.079 1.00 0.00 O ATOM 198 CB PRO A 18 16.697 -3.706 -11.919 1.00 0.00 C ATOM 199 CG PRO A 18 15.224 -3.949 -11.968 1.00 0.00 C ATOM 200 CD PRO A 18 14.862 -4.527 -10.632 1.00 0.00 C ATOM 0 HA PRO A 18 17.911 -3.891 -10.074 1.00 0.00 H new ATOM 0 HB2 PRO A 18 16.979 -2.875 -12.565 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.250 -4.580 -12.264 1.00 0.00 H new ATOM 0 HG2 PRO A 18 14.681 -3.023 -12.154 1.00 0.00 H new ATOM 0 HG3 PRO A 18 14.967 -4.636 -12.774 1.00 0.00 H new ATOM 0 HD2 PRO A 18 13.826 -4.315 -10.368 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.980 -5.611 -10.616 1.00 0.00 H new ATOM 208 N ALA A 19 18.577 -1.530 -10.325 1.00 0.00 N ATOM 209 CA ALA A 19 19.001 -0.137 -10.157 1.00 0.00 C ATOM 210 C ALA A 19 19.045 0.626 -11.485 1.00 0.00 C ATOM 211 O ALA A 19 19.007 1.859 -11.492 1.00 0.00 O ATOM 212 CB ALA A 19 20.360 -0.084 -9.478 1.00 0.00 C ATOM 0 H ALA A 19 19.344 -2.182 -10.490 1.00 0.00 H new ATOM 0 HA ALA A 19 18.257 0.353 -9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.666 0.955 -9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.296 -0.559 -8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.093 -0.610 -10.090 1.00 0.00 H new ATOM 218 N SER A 20 19.126 -0.118 -12.611 1.00 0.00 N ATOM 219 CA SER A 20 19.177 0.457 -13.980 1.00 0.00 C ATOM 220 C SER A 20 20.432 1.339 -14.196 1.00 0.00 C ATOM 221 O SER A 20 21.021 1.808 -13.217 1.00 0.00 O ATOM 222 CB SER A 20 17.903 1.266 -14.290 1.00 0.00 C ATOM 223 OG SER A 20 16.840 0.414 -14.679 1.00 0.00 O ATOM 0 H SER A 20 19.158 -1.137 -12.599 1.00 0.00 H new ATOM 0 HA SER A 20 19.238 -0.384 -14.671 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.610 1.840 -13.411 1.00 0.00 H new ATOM 0 HB3 SER A 20 18.108 1.983 -15.085 1.00 0.00 H new ATOM 0 HG SER A 20 16.043 0.951 -14.869 1.00 0.00 H new ATOM 229 N PRO A 21 20.872 1.588 -15.478 1.00 0.00 N ATOM 230 CA PRO A 21 22.062 2.427 -15.762 1.00 0.00 C ATOM 231 C PRO A 21 21.906 3.872 -15.272 1.00 0.00 C ATOM 232 O PRO A 21 20.791 4.322 -14.991 1.00 0.00 O ATOM 233 CB PRO A 21 22.177 2.398 -17.294 1.00 0.00 C ATOM 234 CG PRO A 21 21.408 1.198 -17.718 1.00 0.00 C ATOM 235 CD PRO A 21 20.279 1.072 -16.737 1.00 0.00 C ATOM 0 HA PRO A 21 22.943 2.047 -15.245 1.00 0.00 H new ATOM 0 HB2 PRO A 21 21.767 3.306 -17.737 1.00 0.00 H new ATOM 0 HB3 PRO A 21 23.218 2.331 -17.610 1.00 0.00 H new ATOM 0 HG2 PRO A 21 21.032 1.313 -18.735 1.00 0.00 H new ATOM 0 HG3 PRO A 21 22.036 0.307 -17.709 1.00 0.00 H new ATOM 0 HD2 PRO A 21 19.411 1.656 -17.043 1.00 0.00 H new ATOM 0 HD3 PRO A 21 19.948 0.039 -16.633 1.00 0.00 H new ATOM 243 N ALA A 22 23.036 4.584 -15.178 1.00 0.00 N ATOM 244 CA ALA A 22 23.055 5.977 -14.719 1.00 0.00 C ATOM 245 C ALA A 22 22.791 6.984 -15.862 1.00 0.00 C ATOM 246 O ALA A 22 21.968 7.885 -15.681 1.00 0.00 O ATOM 247 CB ALA A 22 24.375 6.289 -14.024 1.00 0.00 C ATOM 0 H ALA A 22 23.956 4.213 -15.416 1.00 0.00 H new ATOM 0 HA ALA A 22 22.239 6.089 -14.006 1.00 0.00 H new ATOM 0 HB1 ALA A 22 24.374 7.326 -13.689 1.00 0.00 H new ATOM 0 HB2 ALA A 22 24.498 5.630 -13.164 1.00 0.00 H new ATOM 0 HB3 ALA A 22 25.199 6.134 -14.721 1.00 0.00 H new ATOM 253 N PRO A 23 23.467 6.868 -17.061 1.00 0.00 N ATOM 254 CA PRO A 23 23.251 7.810 -18.190 1.00 0.00 C ATOM 255 C PRO A 23 21.813 7.807 -18.740 1.00 0.00 C ATOM 256 O PRO A 23 21.398 8.763 -19.401 1.00 0.00 O ATOM 257 CB PRO A 23 24.231 7.325 -19.270 1.00 0.00 C ATOM 258 CG PRO A 23 24.540 5.911 -18.914 1.00 0.00 C ATOM 259 CD PRO A 23 24.496 5.853 -17.415 1.00 0.00 C ATOM 0 HA PRO A 23 23.414 8.838 -17.866 1.00 0.00 H new ATOM 0 HB2 PRO A 23 23.787 7.393 -20.263 1.00 0.00 H new ATOM 0 HB3 PRO A 23 25.135 7.934 -19.283 1.00 0.00 H new ATOM 0 HG2 PRO A 23 23.813 5.228 -19.354 1.00 0.00 H new ATOM 0 HG3 PRO A 23 25.521 5.618 -19.289 1.00 0.00 H new ATOM 0 HD2 PRO A 23 24.220 4.860 -17.059 1.00 0.00 H new ATOM 0 HD3 PRO A 23 25.464 6.092 -16.975 1.00 0.00 H new ATOM 267 N THR A 24 21.069 6.728 -18.462 1.00 0.00 N ATOM 268 CA THR A 24 19.684 6.593 -18.925 1.00 0.00 C ATOM 269 C THR A 24 18.688 7.018 -17.844 1.00 0.00 C ATOM 270 O THR A 24 17.759 7.784 -18.119 1.00 0.00 O ATOM 271 CB THR A 24 19.364 5.148 -19.364 1.00 0.00 C ATOM 272 OG1 THR A 24 19.903 4.211 -18.424 1.00 0.00 O ATOM 273 CG2 THR A 24 19.924 4.862 -20.751 1.00 0.00 C ATOM 0 H THR A 24 21.406 5.934 -17.917 1.00 0.00 H new ATOM 0 HA THR A 24 19.583 7.254 -19.786 1.00 0.00 H new ATOM 0 HB THR A 24 18.280 5.041 -19.398 1.00 0.00 H new ATOM 0 HG1 THR A 24 19.691 3.299 -18.713 1.00 0.00 H new ATOM 0 HG21 THR A 24 19.685 3.838 -21.036 1.00 0.00 H new ATOM 0 HG22 THR A 24 19.483 5.551 -21.471 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.006 4.992 -20.740 1.00 0.00 H new ATOM 281 N SER A 25 18.890 6.515 -16.618 1.00 0.00 N ATOM 282 CA SER A 25 18.016 6.833 -15.488 1.00 0.00 C ATOM 283 C SER A 25 18.828 7.233 -14.259 1.00 0.00 C ATOM 284 O SER A 25 19.959 6.769 -14.075 1.00 0.00 O ATOM 285 CB SER A 25 17.122 5.636 -15.153 1.00 0.00 C ATOM 286 OG SER A 25 15.796 6.050 -14.874 1.00 0.00 O ATOM 0 H SER A 25 19.656 5.883 -16.386 1.00 0.00 H new ATOM 0 HA SER A 25 17.391 7.678 -15.777 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.119 4.936 -15.988 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.529 5.104 -14.293 1.00 0.00 H new ATOM 0 HG SER A 25 15.246 5.266 -14.665 1.00 0.00 H new ATOM 292 N GLY A 26 18.237 8.095 -13.425 1.00 0.00 N ATOM 293 CA GLY A 26 18.898 8.557 -12.213 1.00 0.00 C ATOM 294 C GLY A 26 18.192 8.082 -10.948 1.00 0.00 C ATOM 295 O GLY A 26 18.575 7.047 -10.397 1.00 0.00 O ATOM 0 H GLY A 26 17.305 8.482 -13.572 1.00 0.00 H new ATOM 0 HA2 GLY A 26 19.928 8.201 -12.206 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.937 9.646 -12.217 1.00 0.00 H new ATOM 299 N PRO A 27 17.146 8.816 -10.451 1.00 0.00 N ATOM 300 CA PRO A 27 16.406 8.424 -9.232 1.00 0.00 C ATOM 301 C PRO A 27 15.492 7.211 -9.450 1.00 0.00 C ATOM 302 O PRO A 27 14.920 7.045 -10.532 1.00 0.00 O ATOM 303 CB PRO A 27 15.577 9.672 -8.899 1.00 0.00 C ATOM 304 CG PRO A 27 15.395 10.382 -10.200 1.00 0.00 C ATOM 305 CD PRO A 27 16.623 10.087 -11.020 1.00 0.00 C ATOM 0 HA PRO A 27 17.083 8.118 -8.434 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.616 9.401 -8.461 1.00 0.00 H new ATOM 0 HB3 PRO A 27 16.091 10.304 -8.174 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.496 10.036 -10.709 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.280 11.455 -10.044 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.380 9.980 -12.077 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.356 10.890 -10.942 1.00 0.00 H new ATOM 313 N ARG A 28 15.368 6.376 -8.413 1.00 0.00 N ATOM 314 CA ARG A 28 14.531 5.173 -8.475 1.00 0.00 C ATOM 315 C ARG A 28 13.575 5.094 -7.262 1.00 0.00 C ATOM 316 O ARG A 28 13.984 4.663 -6.177 1.00 0.00 O ATOM 317 CB ARG A 28 15.399 3.896 -8.588 1.00 0.00 C ATOM 318 CG ARG A 28 16.562 3.809 -7.592 1.00 0.00 C ATOM 319 CD ARG A 28 17.802 3.203 -8.232 1.00 0.00 C ATOM 320 NE ARG A 28 18.589 4.203 -8.962 1.00 0.00 N ATOM 321 CZ ARG A 28 19.927 4.209 -9.046 1.00 0.00 C ATOM 322 NH1 ARG A 28 20.660 3.271 -8.449 1.00 0.00 N1+ ATOM 323 NH2 ARG A 28 20.536 5.166 -9.734 1.00 0.00 N ATOM 0 H ARG A 28 15.838 6.512 -7.518 1.00 0.00 H new ATOM 0 HA ARG A 28 13.919 5.240 -9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.757 3.026 -8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.802 3.838 -9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.795 4.805 -7.216 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.263 3.207 -6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.422 2.747 -7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.505 2.407 -8.915 1.00 0.00 H new ATOM 0 HE ARG A 28 18.082 4.947 -9.440 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.204 2.530 -7.916 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.677 3.293 -8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.987 5.891 -10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.554 5.177 -9.802 1.00 0.00 H new ATOM 337 N PRO A 29 12.287 5.531 -7.421 1.00 0.00 N ATOM 338 CA PRO A 29 11.301 5.494 -6.329 1.00 0.00 C ATOM 339 C PRO A 29 10.626 4.123 -6.168 1.00 0.00 C ATOM 340 O PRO A 29 10.236 3.498 -7.157 1.00 0.00 O ATOM 341 CB PRO A 29 10.283 6.559 -6.746 1.00 0.00 C ATOM 342 CG PRO A 29 10.335 6.605 -8.244 1.00 0.00 C ATOM 343 CD PRO A 29 11.705 6.114 -8.660 1.00 0.00 C ATOM 0 HA PRO A 29 11.764 5.677 -5.359 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.283 6.303 -6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.532 7.529 -6.316 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.554 5.978 -8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.164 7.620 -8.604 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.635 5.370 -9.453 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.320 6.930 -9.041 1.00 0.00 H new ATOM 351 N ARG A 30 10.497 3.678 -4.913 1.00 0.00 N ATOM 352 CA ARG A 30 9.866 2.394 -4.603 1.00 0.00 C ATOM 353 C ARG A 30 8.629 2.595 -3.725 1.00 0.00 C ATOM 354 O ARG A 30 7.557 2.069 -4.034 1.00 0.00 O ATOM 355 CB ARG A 30 10.866 1.453 -3.914 1.00 0.00 C ATOM 356 CG ARG A 30 11.494 0.424 -4.850 1.00 0.00 C ATOM 357 CD ARG A 30 10.721 -0.888 -4.843 1.00 0.00 C ATOM 358 NE ARG A 30 11.125 -1.759 -3.733 1.00 0.00 N ATOM 359 CZ ARG A 30 10.333 -2.672 -3.153 1.00 0.00 C ATOM 360 NH1 ARG A 30 9.078 -2.856 -3.560 1.00 0.00 N1+ ATOM 361 NH2 ARG A 30 10.806 -3.409 -2.156 1.00 0.00 N ATOM 0 H ARG A 30 10.823 4.192 -4.094 1.00 0.00 H new ATOM 0 HA ARG A 30 9.550 1.936 -5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.658 2.049 -3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.358 0.930 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.523 0.824 -5.864 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.526 0.240 -4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.654 -0.679 -4.770 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.880 -1.408 -5.788 1.00 0.00 H new ATOM 0 HE ARG A 30 12.076 -1.663 -3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.703 -2.297 -4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.492 -3.556 -3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.766 -3.279 -1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.210 -4.106 -1.709 1.00 0.00 H new ATOM 375 N LEU A 31 8.794 3.352 -2.626 1.00 0.00 N ATOM 376 CA LEU A 31 7.704 3.651 -1.688 1.00 0.00 C ATOM 377 C LEU A 31 7.953 4.994 -0.998 1.00 0.00 C ATOM 378 O LEU A 31 8.903 5.139 -0.220 1.00 0.00 O ATOM 379 CB LEU A 31 7.548 2.525 -0.635 1.00 0.00 C ATOM 380 CG LEU A 31 6.485 1.428 -0.913 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.255 1.972 -1.625 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.075 0.277 -1.710 1.00 0.00 C ATOM 0 H LEU A 31 9.686 3.772 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 31 6.776 3.712 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.515 2.035 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.310 2.990 0.322 1.00 0.00 H new ATOM 0 HG LEU A 31 6.167 1.060 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.545 1.163 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.789 2.741 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.549 2.403 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.306 -0.474 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.447 0.649 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.896 -0.170 -1.150 1.00 0.00 H new ATOM 394 N TRP A 32 7.092 5.976 -1.307 1.00 0.00 N ATOM 395 CA TRP A 32 7.193 7.331 -0.738 1.00 0.00 C ATOM 396 C TRP A 32 5.804 7.972 -0.622 1.00 0.00 C ATOM 397 O TRP A 32 4.862 7.536 -1.288 1.00 0.00 O ATOM 398 CB TRP A 32 8.141 8.220 -1.586 1.00 0.00 C ATOM 399 CG TRP A 32 7.703 8.447 -3.012 1.00 0.00 C ATOM 400 CD1 TRP A 32 7.679 7.526 -4.019 1.00 0.00 C ATOM 401 CD2 TRP A 32 7.234 9.680 -3.584 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.218 8.104 -5.175 1.00 0.00 N ATOM 403 CE2 TRP A 32 6.940 9.424 -4.936 1.00 0.00 C ATOM 404 CE3 TRP A 32 7.029 10.974 -3.087 1.00 0.00 C ATOM 405 CZ2 TRP A 32 6.455 10.408 -5.794 1.00 0.00 C ATOM 406 CZ3 TRP A 32 6.549 11.949 -3.940 1.00 0.00 C ATOM 407 CH2 TRP A 32 6.267 11.662 -5.281 1.00 0.00 C ATOM 0 H TRP A 32 6.312 5.856 -1.953 1.00 0.00 H new ATOM 0 HA TRP A 32 7.617 7.248 0.263 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.241 9.188 -1.095 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.131 7.763 -1.595 1.00 0.00 H new ATOM 0 HD1 TRP A 32 7.979 6.493 -3.920 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.101 7.627 -6.069 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.243 11.205 -2.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.235 10.189 -6.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.389 12.949 -3.566 1.00 0.00 H new ATOM 0 HH2 TRP A 32 5.894 12.446 -5.923 1.00 0.00 H new ATOM 418 N GLU A 33 5.691 9.024 0.209 1.00 0.00 N ATOM 419 CA GLU A 33 4.416 9.731 0.419 1.00 0.00 C ATOM 420 C GLU A 33 3.937 10.425 -0.863 1.00 0.00 C ATOM 421 O GLU A 33 4.595 11.339 -1.374 1.00 0.00 O ATOM 422 CB GLU A 33 4.559 10.751 1.553 1.00 0.00 C ATOM 423 CG GLU A 33 4.380 10.150 2.938 1.00 0.00 C ATOM 424 CD GLU A 33 4.379 11.198 4.033 1.00 0.00 C ATOM 425 OE1 GLU A 33 5.474 11.665 4.409 1.00 0.00 O ATOM 426 OE2 GLU A 33 3.282 11.553 4.513 1.00 0.00 O1- ATOM 0 H GLU A 33 6.470 9.403 0.747 1.00 0.00 H new ATOM 0 HA GLU A 33 3.665 8.990 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.544 11.214 1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.824 11.544 1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.442 9.595 2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.181 9.435 3.126 1.00 0.00 H new ATOM 433 N GLY A 34 2.785 9.967 -1.370 1.00 0.00 N ATOM 434 CA GLY A 34 2.211 10.513 -2.591 1.00 0.00 C ATOM 435 C GLY A 34 2.615 9.712 -3.815 1.00 0.00 C ATOM 436 O GLY A 34 2.719 10.262 -4.916 1.00 0.00 O ATOM 0 H GLY A 34 2.237 9.218 -0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.124 10.525 -2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.532 11.547 -2.712 1.00 0.00 H new ATOM 440 N GLN A 35 2.841 8.409 -3.612 1.00 0.00 N ATOM 441 CA GLN A 35 3.240 7.508 -4.684 1.00 0.00 C ATOM 442 C GLN A 35 2.033 6.699 -5.150 1.00 0.00 C ATOM 443 O GLN A 35 1.434 5.961 -4.359 1.00 0.00 O ATOM 444 CB GLN A 35 4.392 6.592 -4.183 1.00 0.00 C ATOM 445 CG GLN A 35 4.515 5.228 -4.879 1.00 0.00 C ATOM 446 CD GLN A 35 5.782 5.077 -5.699 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.144 5.950 -6.490 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.452 3.948 -5.521 1.00 0.00 N ATOM 0 H GLN A 35 2.751 7.957 -2.702 1.00 0.00 H new ATOM 0 HA GLN A 35 3.608 8.076 -5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.334 7.126 -4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.257 6.422 -3.115 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.484 4.441 -4.126 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.652 5.082 -5.529 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.114 3.254 -4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.306 3.773 -6.050 1.00 0.00 H new ATOM 457 N ASP A 36 1.673 6.846 -6.435 1.00 0.00 N ATOM 458 CA ASP A 36 0.552 6.093 -7.006 1.00 0.00 C ATOM 459 C ASP A 36 0.959 4.628 -7.107 1.00 0.00 C ATOM 460 O ASP A 36 1.827 4.257 -7.905 1.00 0.00 O ATOM 461 CB ASP A 36 0.132 6.647 -8.373 1.00 0.00 C ATOM 462 CG ASP A 36 -0.520 8.013 -8.274 1.00 0.00 C ATOM 463 OD1 ASP A 36 -1.677 8.087 -7.810 1.00 0.00 O1- ATOM 464 OD2 ASP A 36 0.128 9.009 -8.661 1.00 0.00 O ATOM 0 H ASP A 36 2.139 7.474 -7.090 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.316 6.192 -6.355 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.008 6.712 -9.019 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.561 5.951 -8.845 1.00 0.00 H new ATOM 469 N VAL A 37 0.323 3.816 -6.274 1.00 0.00 N ATOM 470 CA VAL A 37 0.635 2.397 -6.183 1.00 0.00 C ATOM 471 C VAL A 37 -0.512 1.514 -6.637 1.00 0.00 C ATOM 472 O VAL A 37 -1.654 1.964 -6.778 1.00 0.00 O ATOM 473 CB VAL A 37 1.000 1.998 -4.723 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.358 2.560 -4.334 1.00 0.00 C ATOM 475 CG2 VAL A 37 -0.085 2.428 -3.717 1.00 0.00 C ATOM 0 H VAL A 37 -0.420 4.121 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 37 1.484 2.240 -6.848 1.00 0.00 H new ATOM 0 HB VAL A 37 1.055 0.910 -4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.593 2.269 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.121 2.167 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.336 3.647 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.212 2.129 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.206 3.511 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.030 1.949 -3.974 1.00 0.00 H new ATOM 485 N LEU A 38 -0.173 0.250 -6.860 1.00 0.00 N ATOM 486 CA LEU A 38 -1.134 -0.750 -7.255 1.00 0.00 C ATOM 487 C LEU A 38 -1.161 -1.837 -6.200 1.00 0.00 C ATOM 488 O LEU A 38 -0.289 -2.713 -6.144 1.00 0.00 O ATOM 489 CB LEU A 38 -0.787 -1.297 -8.641 1.00 0.00 C ATOM 490 CG LEU A 38 -0.921 -0.280 -9.782 1.00 0.00 C ATOM 491 CD1 LEU A 38 -0.214 -0.778 -11.031 1.00 0.00 C ATOM 492 CD2 LEU A 38 -2.387 0.004 -10.068 1.00 0.00 C ATOM 0 H LEU A 38 0.780 -0.102 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.131 -0.315 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.237 -1.671 -8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.434 -2.148 -8.853 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.445 0.651 -9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.321 -0.042 -11.828 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.844 -0.927 -10.815 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.657 -1.722 -11.348 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.466 0.727 -10.880 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.887 -0.921 -10.356 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.860 0.409 -9.174 1.00 0.00 H new ATOM 504 N ALA A 39 -2.181 -1.745 -5.358 1.00 0.00 N ATOM 505 CA ALA A 39 -2.390 -2.674 -4.267 1.00 0.00 C ATOM 506 C ALA A 39 -3.294 -3.813 -4.729 1.00 0.00 C ATOM 507 O ALA A 39 -4.493 -3.623 -4.949 1.00 0.00 O ATOM 508 CB ALA A 39 -2.987 -1.922 -3.082 1.00 0.00 C ATOM 0 H ALA A 39 -2.891 -1.015 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.443 -3.112 -3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.148 -2.614 -2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.302 -1.135 -2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.939 -1.479 -3.375 1.00 0.00 H new ATOM 514 N ARG A 40 -2.697 -4.993 -4.901 1.00 0.00 N ATOM 515 CA ARG A 40 -3.424 -6.179 -5.360 1.00 0.00 C ATOM 516 C ARG A 40 -4.379 -6.698 -4.281 1.00 0.00 C ATOM 517 O ARG A 40 -3.962 -6.971 -3.150 1.00 0.00 O ATOM 518 CB ARG A 40 -2.425 -7.270 -5.745 1.00 0.00 C ATOM 519 CG ARG A 40 -2.785 -8.024 -7.023 1.00 0.00 C ATOM 520 CD ARG A 40 -1.556 -8.624 -7.697 1.00 0.00 C ATOM 521 NE ARG A 40 -1.067 -9.821 -7.002 1.00 0.00 N ATOM 522 CZ ARG A 40 -0.108 -10.634 -7.467 1.00 0.00 C ATOM 523 NH1 ARG A 40 0.485 -10.402 -8.637 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 0.261 -11.689 -6.752 1.00 0.00 N ATOM 0 H ARG A 40 -1.705 -5.154 -4.728 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.021 -5.903 -6.229 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.440 -6.819 -5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.349 -7.983 -4.924 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.494 -8.818 -6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.284 -7.346 -7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.799 -8.879 -8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.763 -7.877 -7.732 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.487 -10.050 -6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.211 -9.594 -9.196 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.213 -11.032 -8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.184 -11.878 -5.854 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.990 -12.311 -7.100 1.00 0.00 H new ATOM 538 N TRP A 41 -5.662 -6.822 -4.645 1.00 0.00 N ATOM 539 CA TRP A 41 -6.695 -7.300 -3.723 1.00 0.00 C ATOM 540 C TRP A 41 -6.745 -8.837 -3.698 1.00 0.00 C ATOM 541 O TRP A 41 -6.371 -9.497 -4.672 1.00 0.00 O ATOM 542 CB TRP A 41 -8.053 -6.667 -4.085 1.00 0.00 C ATOM 543 CG TRP A 41 -9.171 -6.934 -3.096 1.00 0.00 C ATOM 544 CD1 TRP A 41 -9.084 -7.009 -1.729 1.00 0.00 C ATOM 545 CD2 TRP A 41 -10.549 -7.147 -3.414 1.00 0.00 C ATOM 546 NE1 TRP A 41 -10.322 -7.263 -1.189 1.00 0.00 N ATOM 547 CE2 TRP A 41 -11.238 -7.349 -2.204 1.00 0.00 C ATOM 548 CE3 TRP A 41 -11.263 -7.185 -4.610 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -12.610 -7.588 -2.161 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -12.624 -7.420 -4.570 1.00 0.00 C ATOM 551 CH2 TRP A 41 -13.286 -7.618 -3.352 1.00 0.00 C ATOM 0 H TRP A 41 -6.009 -6.596 -5.577 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.446 -6.986 -2.709 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.921 -5.589 -4.178 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.359 -7.036 -5.064 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -8.174 -6.886 -1.160 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.525 -7.370 -0.195 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -10.760 -7.033 -5.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -13.122 -7.744 -1.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -13.186 -7.451 -5.492 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -14.351 -7.798 -3.352 1.00 0.00 H new ATOM 562 N THR A 42 -7.215 -9.384 -2.565 1.00 0.00 N ATOM 563 CA THR A 42 -7.292 -10.843 -2.334 1.00 0.00 C ATOM 564 C THR A 42 -8.292 -11.579 -3.241 1.00 0.00 C ATOM 565 O THR A 42 -8.321 -12.814 -3.248 1.00 0.00 O ATOM 566 CB THR A 42 -7.649 -11.151 -0.863 1.00 0.00 C ATOM 567 OG1 THR A 42 -8.697 -10.282 -0.414 1.00 0.00 O ATOM 568 CG2 THR A 42 -6.433 -10.994 0.037 1.00 0.00 C ATOM 0 H THR A 42 -7.554 -8.829 -1.779 1.00 0.00 H new ATOM 0 HA THR A 42 -6.297 -11.213 -2.581 1.00 0.00 H new ATOM 0 HB THR A 42 -7.990 -12.185 -0.809 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.915 -10.488 0.519 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.712 -11.217 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.651 -11.682 -0.284 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.064 -9.970 -0.026 1.00 0.00 H new ATOM 576 N ASP A 43 -9.098 -10.831 -4.000 1.00 0.00 N ATOM 577 CA ASP A 43 -10.089 -11.432 -4.901 1.00 0.00 C ATOM 578 C ASP A 43 -9.513 -11.661 -6.305 1.00 0.00 C ATOM 579 O ASP A 43 -10.164 -12.280 -7.156 1.00 0.00 O ATOM 580 CB ASP A 43 -11.336 -10.551 -4.983 1.00 0.00 C ATOM 581 CG ASP A 43 -12.498 -11.121 -4.192 1.00 0.00 C ATOM 582 OD1 ASP A 43 -13.201 -12.005 -4.723 1.00 0.00 O1- ATOM 583 OD2 ASP A 43 -12.702 -10.682 -3.041 1.00 0.00 O ATOM 0 H ASP A 43 -9.085 -9.811 -4.010 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.362 -12.404 -4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.099 -9.555 -4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.630 -10.438 -6.026 1.00 0.00 H new ATOM 588 N GLY A 44 -8.289 -11.166 -6.532 1.00 0.00 N ATOM 589 CA GLY A 44 -7.637 -11.320 -7.826 1.00 0.00 C ATOM 590 C GLY A 44 -7.581 -10.025 -8.623 1.00 0.00 C ATOM 591 O GLY A 44 -6.827 -9.929 -9.595 1.00 0.00 O ATOM 0 H GLY A 44 -7.739 -10.660 -5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.623 -11.690 -7.674 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.168 -12.074 -8.406 1.00 0.00 H new ATOM 595 N LEU A 45 -8.380 -9.033 -8.209 1.00 0.00 N ATOM 596 CA LEU A 45 -8.432 -7.734 -8.881 1.00 0.00 C ATOM 597 C LEU A 45 -7.442 -6.747 -8.260 1.00 0.00 C ATOM 598 O LEU A 45 -7.107 -6.850 -7.077 1.00 0.00 O ATOM 599 CB LEU A 45 -9.848 -7.163 -8.817 1.00 0.00 C ATOM 600 CG LEU A 45 -10.870 -7.870 -9.709 1.00 0.00 C ATOM 601 CD1 LEU A 45 -12.113 -8.228 -8.912 1.00 0.00 C ATOM 602 CD2 LEU A 45 -11.229 -6.998 -10.899 1.00 0.00 C ATOM 0 H LEU A 45 -9.003 -9.110 -7.405 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.152 -7.885 -9.923 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.196 -7.208 -7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.812 -6.110 -9.095 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.425 -8.792 -10.082 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.830 -8.730 -9.562 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.840 -8.891 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.562 -7.320 -8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.957 -7.516 -11.523 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.656 -6.059 -10.546 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.332 -6.792 -11.483 1.00 0.00 H new ATOM 614 N LEU A 46 -6.987 -5.794 -9.080 1.00 0.00 N ATOM 615 CA LEU A 46 -6.035 -4.766 -8.656 1.00 0.00 C ATOM 616 C LEU A 46 -6.759 -3.555 -8.047 1.00 0.00 C ATOM 617 O LEU A 46 -7.958 -3.366 -8.265 1.00 0.00 O ATOM 618 CB LEU A 46 -5.192 -4.331 -9.872 1.00 0.00 C ATOM 619 CG LEU A 46 -3.969 -3.448 -9.604 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.893 -4.191 -8.818 1.00 0.00 C ATOM 621 CD2 LEU A 46 -3.423 -2.963 -10.931 1.00 0.00 C ATOM 0 H LEU A 46 -7.270 -5.715 -10.057 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.385 -5.182 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.852 -5.231 -10.385 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.847 -3.799 -10.562 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.274 -2.599 -8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.043 -3.529 -8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.299 -4.512 -7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.567 -5.064 -9.384 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.551 -2.332 -10.757 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.136 -3.819 -11.541 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.189 -2.388 -11.451 1.00 0.00 H new ATOM 633 N TYR A 47 -5.999 -2.736 -7.306 1.00 0.00 N ATOM 634 CA TYR A 47 -6.524 -1.537 -6.650 1.00 0.00 C ATOM 635 C TYR A 47 -5.514 -0.401 -6.797 1.00 0.00 C ATOM 636 O TYR A 47 -4.330 -0.586 -6.506 1.00 0.00 O ATOM 637 CB TYR A 47 -6.777 -1.789 -5.144 1.00 0.00 C ATOM 638 CG TYR A 47 -8.073 -2.508 -4.736 1.00 0.00 C ATOM 639 CD1 TYR A 47 -9.096 -2.824 -5.634 1.00 0.00 C ATOM 640 CD2 TYR A 47 -8.268 -2.845 -3.400 1.00 0.00 C ATOM 641 CE1 TYR A 47 -10.256 -3.444 -5.212 1.00 0.00 C ATOM 642 CE2 TYR A 47 -9.425 -3.470 -2.974 1.00 0.00 C ATOM 643 CZ TYR A 47 -10.415 -3.764 -3.884 1.00 0.00 C ATOM 644 OH TYR A 47 -11.575 -4.371 -3.460 1.00 0.00 O ATOM 0 H TYR A 47 -5.003 -2.889 -7.147 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.470 -1.274 -7.123 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.939 -2.369 -4.758 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.758 -0.824 -4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.977 -2.579 -6.679 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.498 -2.613 -2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.035 -3.677 -5.923 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.552 -3.726 -1.933 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.512 -5.338 -3.609 1.00 0.00 H new ATOM 654 N LEU A 48 -5.980 0.765 -7.254 1.00 0.00 N ATOM 655 CA LEU A 48 -5.107 1.928 -7.427 1.00 0.00 C ATOM 656 C LEU A 48 -5.154 2.811 -6.184 1.00 0.00 C ATOM 657 O LEU A 48 -6.218 2.998 -5.585 1.00 0.00 O ATOM 658 CB LEU A 48 -5.506 2.722 -8.689 1.00 0.00 C ATOM 659 CG LEU A 48 -4.710 4.013 -8.973 1.00 0.00 C ATOM 660 CD1 LEU A 48 -3.337 3.701 -9.559 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.495 4.921 -9.910 1.00 0.00 C ATOM 0 H LEU A 48 -6.954 0.928 -7.510 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.082 1.582 -7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.406 2.063 -9.552 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.561 2.983 -8.608 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.558 4.530 -8.026 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.802 4.632 -9.748 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.770 3.093 -8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.456 3.155 -10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.922 5.828 -10.102 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.679 4.402 -10.851 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.447 5.184 -9.449 1.00 0.00 H new ATOM 673 N GLY A 49 -3.989 3.346 -5.810 1.00 0.00 N ATOM 674 CA GLY A 49 -3.906 4.195 -4.632 1.00 0.00 C ATOM 675 C GLY A 49 -2.692 5.107 -4.613 1.00 0.00 C ATOM 676 O GLY A 49 -1.886 5.101 -5.542 1.00 0.00 O ATOM 0 H GLY A 49 -3.106 3.206 -6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.807 4.805 -4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.888 3.565 -3.743 1.00 0.00 H new ATOM 680 N THR A 50 -2.597 5.908 -3.547 1.00 0.00 N ATOM 681 CA THR A 50 -1.478 6.829 -3.336 1.00 0.00 C ATOM 682 C THR A 50 -0.984 6.682 -1.906 1.00 0.00 C ATOM 683 O THR A 50 -1.773 6.726 -0.960 1.00 0.00 O ATOM 684 CB THR A 50 -1.842 8.306 -3.613 1.00 0.00 C ATOM 685 OG1 THR A 50 -3.149 8.407 -4.198 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.815 8.938 -4.546 1.00 0.00 C ATOM 0 H THR A 50 -3.296 5.935 -2.805 1.00 0.00 H new ATOM 0 HA THR A 50 -0.698 6.563 -4.050 1.00 0.00 H new ATOM 0 HB THR A 50 -1.840 8.838 -2.662 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.361 9.349 -4.364 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.084 9.978 -4.732 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.171 8.895 -4.084 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.797 8.393 -5.490 1.00 0.00 H new ATOM 694 N ILE A 51 0.330 6.519 -1.762 1.00 0.00 N ATOM 695 CA ILE A 51 0.977 6.296 -0.460 1.00 0.00 C ATOM 696 C ILE A 51 0.808 7.464 0.517 1.00 0.00 C ATOM 697 O ILE A 51 1.263 8.580 0.268 1.00 0.00 O ATOM 698 CB ILE A 51 2.486 5.942 -0.653 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.621 4.704 -1.570 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.214 5.707 0.683 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.088 3.410 -0.969 1.00 0.00 C ATOM 0 H ILE A 51 0.983 6.537 -2.545 1.00 0.00 H new ATOM 0 HA ILE A 51 0.465 5.449 -0.003 1.00 0.00 H new ATOM 0 HB ILE A 51 2.966 6.800 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.094 4.900 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.673 4.567 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.259 5.464 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.157 6.609 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.742 4.881 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.224 2.595 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.631 3.184 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.027 3.523 -0.745 1.00 0.00 H new ATOM 713 N LYS A 52 0.139 7.161 1.631 1.00 0.00 N ATOM 714 CA LYS A 52 -0.090 8.128 2.703 1.00 0.00 C ATOM 715 C LYS A 52 0.949 7.948 3.816 1.00 0.00 C ATOM 716 O LYS A 52 1.261 8.898 4.540 1.00 0.00 O ATOM 717 CB LYS A 52 -1.504 7.968 3.277 1.00 0.00 C ATOM 718 CG LYS A 52 -2.445 9.127 2.953 1.00 0.00 C ATOM 719 CD LYS A 52 -2.402 10.204 4.028 1.00 0.00 C ATOM 720 CE LYS A 52 -3.260 11.403 3.655 1.00 0.00 C ATOM 721 NZ LYS A 52 -4.702 11.168 3.947 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.258 6.240 1.814 1.00 0.00 H new ATOM 0 HA LYS A 52 0.009 9.131 2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.938 7.044 2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.435 7.862 4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.170 9.561 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.464 8.752 2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.749 9.788 4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.372 10.526 4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.917 12.280 4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.136 11.622 2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.177 12.079 4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.145 10.684 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.792 10.576 4.798 1.00 0.00 H new ATOM 735 N LYS A 53 1.477 6.714 3.941 1.00 0.00 N ATOM 736 CA LYS A 53 2.489 6.380 4.953 1.00 0.00 C ATOM 737 C LYS A 53 3.416 5.279 4.433 1.00 0.00 C ATOM 738 O LYS A 53 3.055 4.542 3.510 1.00 0.00 O ATOM 739 CB LYS A 53 1.825 5.933 6.270 1.00 0.00 C ATOM 740 CG LYS A 53 2.319 6.688 7.503 1.00 0.00 C ATOM 741 CD LYS A 53 1.563 7.999 7.724 1.00 0.00 C ATOM 742 CE LYS A 53 2.500 9.195 7.669 1.00 0.00 C ATOM 743 NZ LYS A 53 1.760 10.485 7.739 1.00 0.00 N1+ ATOM 0 H LYS A 53 1.214 5.929 3.346 1.00 0.00 H new ATOM 0 HA LYS A 53 3.077 7.276 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.746 6.065 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.006 4.868 6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.207 6.054 8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.383 6.899 7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.788 8.107 6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.060 7.973 8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.209 9.138 8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.080 9.159 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.435 11.275 7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.101 10.551 6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.226 10.531 8.630 1.00 0.00 H new ATOM 757 N VAL A 54 4.605 5.170 5.037 1.00 0.00 N ATOM 758 CA VAL A 54 5.598 4.171 4.625 1.00 0.00 C ATOM 759 C VAL A 54 6.215 3.471 5.841 1.00 0.00 C ATOM 760 O VAL A 54 6.603 4.117 6.818 1.00 0.00 O ATOM 761 CB VAL A 54 6.727 4.805 3.745 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.856 3.813 3.449 1.00 0.00 C ATOM 763 CG2 VAL A 54 6.160 5.329 2.431 1.00 0.00 C ATOM 0 H VAL A 54 4.903 5.761 5.813 1.00 0.00 H new ATOM 0 HA VAL A 54 5.072 3.431 4.022 1.00 0.00 H new ATOM 0 HB VAL A 54 7.143 5.632 4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.615 4.298 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.304 3.481 4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.454 2.953 2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.963 5.765 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.704 4.508 1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.407 6.090 2.637 1.00 0.00 H new ATOM 773 N ASP A 55 6.287 2.142 5.747 1.00 0.00 N ATOM 774 CA ASP A 55 6.870 1.300 6.787 1.00 0.00 C ATOM 775 C ASP A 55 7.995 0.449 6.183 1.00 0.00 C ATOM 776 O ASP A 55 7.797 -0.721 5.829 1.00 0.00 O ATOM 777 CB ASP A 55 5.788 0.417 7.431 1.00 0.00 C ATOM 778 CG ASP A 55 5.109 1.098 8.603 1.00 0.00 C ATOM 779 OD1 ASP A 55 5.651 1.028 9.725 1.00 0.00 O1- ATOM 780 OD2 ASP A 55 4.034 1.701 8.398 1.00 0.00 O ATOM 0 H ASP A 55 5.940 1.619 4.943 1.00 0.00 H new ATOM 0 HA ASP A 55 7.292 1.929 7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.040 0.158 6.681 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.238 -0.517 7.768 1.00 0.00 H new ATOM 785 N SER A 56 9.181 1.063 6.054 1.00 0.00 N ATOM 786 CA SER A 56 10.364 0.403 5.476 1.00 0.00 C ATOM 787 C SER A 56 11.035 -0.586 6.447 1.00 0.00 C ATOM 788 O SER A 56 12.030 -1.229 6.094 1.00 0.00 O ATOM 789 CB SER A 56 11.376 1.461 5.026 1.00 0.00 C ATOM 790 OG SER A 56 10.800 2.353 4.089 1.00 0.00 O ATOM 0 H SER A 56 9.348 2.026 6.345 1.00 0.00 H new ATOM 0 HA SER A 56 10.020 -0.179 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.733 2.019 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.244 0.973 4.582 1.00 0.00 H new ATOM 0 HG SER A 56 10.377 1.842 3.368 1.00 0.00 H new ATOM 796 N ALA A 57 10.477 -0.710 7.659 1.00 0.00 N ATOM 797 CA ALA A 57 11.014 -1.618 8.677 1.00 0.00 C ATOM 798 C ALA A 57 10.407 -3.019 8.559 1.00 0.00 C ATOM 799 O ALA A 57 11.115 -4.020 8.707 1.00 0.00 O ATOM 800 CB ALA A 57 10.772 -1.049 10.068 1.00 0.00 C ATOM 0 H ALA A 57 9.651 -0.190 7.957 1.00 0.00 H new ATOM 0 HA ALA A 57 12.087 -1.709 8.511 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.175 -1.732 10.816 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.266 -0.082 10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.701 -0.925 10.229 1.00 0.00 H new ATOM 806 N ARG A 58 9.097 -3.076 8.291 1.00 0.00 N ATOM 807 CA ARG A 58 8.379 -4.346 8.148 1.00 0.00 C ATOM 808 C ARG A 58 7.982 -4.613 6.687 1.00 0.00 C ATOM 809 O ARG A 58 7.248 -5.567 6.400 1.00 0.00 O ATOM 810 CB ARG A 58 7.134 -4.345 9.048 1.00 0.00 C ATOM 811 CG ARG A 58 7.437 -4.638 10.513 1.00 0.00 C ATOM 812 CD ARG A 58 7.228 -6.108 10.848 1.00 0.00 C ATOM 813 NE ARG A 58 8.025 -6.527 12.006 1.00 0.00 N ATOM 814 CZ ARG A 58 7.537 -6.715 13.242 1.00 0.00 C ATOM 815 NH1 ARG A 58 6.246 -6.529 13.509 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 8.353 -7.095 14.216 1.00 0.00 N ATOM 0 H ARG A 58 8.510 -2.251 8.168 1.00 0.00 H new ATOM 0 HA ARG A 58 9.049 -5.148 8.457 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.644 -3.374 8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.427 -5.087 8.677 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.467 -4.357 10.735 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.796 -4.026 11.147 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.172 -6.287 11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 58 7.494 -6.718 9.985 1.00 0.00 H new ATOM 0 HE ARG A 58 9.022 -6.687 11.861 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.609 -6.238 12.768 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.894 -6.677 14.455 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.344 -7.242 14.023 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.990 -7.240 15.158 1.00 0.00 H new ATOM 830 N GLU A 59 8.490 -3.769 5.757 1.00 0.00 N ATOM 831 CA GLU A 59 8.204 -3.876 4.303 1.00 0.00 C ATOM 832 C GLU A 59 6.708 -3.673 4.007 1.00 0.00 C ATOM 833 O GLU A 59 6.088 -4.433 3.250 1.00 0.00 O ATOM 834 CB GLU A 59 8.710 -5.218 3.727 1.00 0.00 C ATOM 835 CG GLU A 59 10.224 -5.291 3.590 1.00 0.00 C ATOM 836 CD GLU A 59 10.691 -5.059 2.167 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.600 -6.001 1.352 1.00 0.00 O ATOM 838 OE2 GLU A 59 11.147 -3.936 1.867 1.00 0.00 O1- ATOM 0 H GLU A 59 9.110 -2.994 5.992 1.00 0.00 H new ATOM 0 HA GLU A 59 8.750 -3.075 3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.372 -6.030 4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.257 -5.377 2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.681 -4.548 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.569 -6.268 3.927 1.00 0.00 H new ATOM 845 N VAL A 60 6.144 -2.623 4.616 1.00 0.00 N ATOM 846 CA VAL A 60 4.726 -2.275 4.453 1.00 0.00 C ATOM 847 C VAL A 60 4.579 -0.768 4.188 1.00 0.00 C ATOM 848 O VAL A 60 5.511 0.000 4.428 1.00 0.00 O ATOM 849 CB VAL A 60 3.876 -2.656 5.712 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.397 -2.800 5.363 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.371 -3.940 6.379 1.00 0.00 C ATOM 0 H VAL A 60 6.655 -1.992 5.234 1.00 0.00 H new ATOM 0 HA VAL A 60 4.352 -2.847 3.604 1.00 0.00 H new ATOM 0 HB VAL A 60 3.998 -1.836 6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.836 -3.065 6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.023 -1.856 4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.274 -3.582 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.750 -4.162 7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.311 -4.765 5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.405 -3.809 6.697 1.00 0.00 H new ATOM 861 N CYS A 61 3.410 -0.364 3.665 1.00 0.00 N ATOM 862 CA CYS A 61 3.109 1.048 3.375 1.00 0.00 C ATOM 863 C CYS A 61 1.609 1.285 3.386 1.00 0.00 C ATOM 864 O CYS A 61 0.835 0.428 2.948 1.00 0.00 O ATOM 865 CB CYS A 61 3.665 1.478 2.011 1.00 0.00 C ATOM 866 SG CYS A 61 5.376 2.056 2.070 1.00 0.00 S ATOM 0 H CYS A 61 2.650 -1.003 3.432 1.00 0.00 H new ATOM 0 HA CYS A 61 3.588 1.642 4.153 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.599 0.637 1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.037 2.272 1.607 1.00 0.00 H new ATOM 0 HG CYS A 61 6.164 1.125 1.620 1.00 0.00 H new ATOM 872 N LEU A 62 1.208 2.454 3.893 1.00 0.00 N ATOM 873 CA LEU A 62 -0.201 2.832 3.935 1.00 0.00 C ATOM 874 C LEU A 62 -0.521 3.658 2.707 1.00 0.00 C ATOM 875 O LEU A 62 0.241 4.559 2.347 1.00 0.00 O ATOM 876 CB LEU A 62 -0.545 3.636 5.200 1.00 0.00 C ATOM 877 CG LEU A 62 -1.888 3.299 5.904 1.00 0.00 C ATOM 878 CD1 LEU A 62 -3.037 3.095 4.907 1.00 0.00 C ATOM 879 CD2 LEU A 62 -1.735 2.079 6.801 1.00 0.00 C ATOM 0 H LEU A 62 1.842 3.153 4.280 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.798 1.920 3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.260 3.495 5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.556 4.694 4.937 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.148 4.160 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.953 2.862 5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.181 4.006 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.794 2.272 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.687 1.861 7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.428 1.222 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.980 2.279 7.561 1.00 0.00 H new ATOM 891 N VAL A 63 -1.638 3.342 2.064 1.00 0.00 N ATOM 892 CA VAL A 63 -2.036 4.037 0.848 1.00 0.00 C ATOM 893 C VAL A 63 -3.529 4.363 0.846 1.00 0.00 C ATOM 894 O VAL A 63 -4.353 3.583 1.334 1.00 0.00 O ATOM 895 CB VAL A 63 -1.635 3.223 -0.442 1.00 0.00 C ATOM 896 CG1 VAL A 63 -1.012 1.876 -0.102 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.802 3.018 -1.394 1.00 0.00 C ATOM 0 H VAL A 63 -2.283 2.611 2.364 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.492 4.981 0.829 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.889 3.836 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.753 1.352 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.112 2.031 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.725 1.279 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.467 2.452 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.594 2.468 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.183 3.987 -1.717 1.00 0.00 H new ATOM 907 N GLN A 64 -3.847 5.536 0.288 1.00 0.00 N ATOM 908 CA GLN A 64 -5.226 5.991 0.141 1.00 0.00 C ATOM 909 C GLN A 64 -5.707 5.555 -1.241 1.00 0.00 C ATOM 910 O GLN A 64 -4.954 5.649 -2.213 1.00 0.00 O ATOM 911 CB GLN A 64 -5.328 7.517 0.300 1.00 0.00 C ATOM 912 CG GLN A 64 -6.738 8.023 0.619 1.00 0.00 C ATOM 913 CD GLN A 64 -6.783 8.895 1.861 1.00 0.00 C ATOM 914 OE1 GLN A 64 -6.174 9.965 1.907 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.511 8.441 2.875 1.00 0.00 N ATOM 0 H GLN A 64 -3.155 6.192 -0.072 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.851 5.553 0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.652 7.834 1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.984 7.991 -0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.117 8.590 -0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.403 7.170 0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.999 7.549 2.793 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.582 8.984 3.735 1.00 0.00 H new ATOM 924 N PHE A 65 -6.948 5.095 -1.332 1.00 0.00 N ATOM 925 CA PHE A 65 -7.472 4.578 -2.588 1.00 0.00 C ATOM 926 C PHE A 65 -8.457 5.522 -3.285 1.00 0.00 C ATOM 927 O PHE A 65 -8.868 6.539 -2.720 1.00 0.00 O ATOM 928 CB PHE A 65 -8.065 3.199 -2.316 1.00 0.00 C ATOM 929 CG PHE A 65 -6.999 2.194 -1.961 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.509 2.091 -0.666 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.465 1.384 -2.934 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.510 1.188 -0.361 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.468 0.481 -2.636 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.990 0.382 -1.350 1.00 0.00 C ATOM 0 H PHE A 65 -7.608 5.069 -0.554 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.653 4.496 -3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.786 3.267 -1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.609 2.857 -3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.913 2.723 0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.832 1.456 -3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.137 1.114 0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.061 -0.150 -3.413 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.209 -0.326 -1.116 1.00 0.00 H new ATOM 944 N GLU A 66 -8.826 5.152 -4.532 1.00 0.00 N ATOM 945 CA GLU A 66 -9.726 5.945 -5.388 1.00 0.00 C ATOM 946 C GLU A 66 -11.100 6.177 -4.759 1.00 0.00 C ATOM 947 O GLU A 66 -11.639 7.285 -4.847 1.00 0.00 O ATOM 948 CB GLU A 66 -9.892 5.258 -6.748 1.00 0.00 C ATOM 949 CG GLU A 66 -8.659 5.345 -7.649 1.00 0.00 C ATOM 950 CD GLU A 66 -8.425 6.735 -8.225 1.00 0.00 C ATOM 951 OE1 GLU A 66 -9.323 7.252 -8.923 1.00 0.00 O1- ATOM 952 OE2 GLU A 66 -7.342 7.305 -7.977 1.00 0.00 O ATOM 0 H GLU A 66 -8.504 4.290 -4.972 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.261 6.923 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.136 4.208 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.740 5.705 -7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.780 5.044 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.766 4.634 -8.468 1.00 0.00 H new ATOM 959 N ASP A 67 -11.662 5.137 -4.128 1.00 0.00 N ATOM 960 CA ASP A 67 -12.973 5.252 -3.492 1.00 0.00 C ATOM 961 C ASP A 67 -12.843 5.687 -2.011 1.00 0.00 C ATOM 962 O ASP A 67 -13.638 5.287 -1.153 1.00 0.00 O ATOM 963 CB ASP A 67 -13.737 3.923 -3.657 1.00 0.00 C ATOM 964 CG ASP A 67 -15.219 4.028 -3.316 1.00 0.00 C ATOM 965 OD1 ASP A 67 -15.909 4.879 -3.917 1.00 0.00 O ATOM 966 OD2 ASP A 67 -15.683 3.261 -2.447 1.00 0.00 O1- ATOM 0 H ASP A 67 -11.231 4.216 -4.047 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.549 6.036 -3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.632 3.578 -4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.278 3.167 -3.019 1.00 0.00 H new ATOM 971 N ASP A 68 -11.820 6.535 -1.734 1.00 0.00 N ATOM 972 CA ASP A 68 -11.541 7.091 -0.387 1.00 0.00 C ATOM 973 C ASP A 68 -11.413 6.004 0.696 1.00 0.00 C ATOM 974 O ASP A 68 -12.152 5.997 1.690 1.00 0.00 O ATOM 975 CB ASP A 68 -12.606 8.135 0.005 1.00 0.00 C ATOM 976 CG ASP A 68 -12.314 9.505 -0.577 1.00 0.00 C ATOM 977 OD1 ASP A 68 -11.368 10.164 -0.096 1.00 0.00 O1- ATOM 978 OD2 ASP A 68 -13.032 9.919 -1.512 1.00 0.00 O ATOM 0 H ASP A 68 -11.162 6.854 -2.445 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.570 7.583 -0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.584 7.798 -0.338 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.657 8.208 1.091 1.00 0.00 H new ATOM 983 N SER A 69 -10.467 5.085 0.486 1.00 0.00 N ATOM 984 CA SER A 69 -10.227 3.996 1.431 1.00 0.00 C ATOM 985 C SER A 69 -8.783 3.981 1.908 1.00 0.00 C ATOM 986 O SER A 69 -7.855 4.021 1.098 1.00 0.00 O ATOM 987 CB SER A 69 -10.565 2.642 0.792 1.00 0.00 C ATOM 988 OG SER A 69 -11.167 1.771 1.733 1.00 0.00 O ATOM 0 H SER A 69 -9.856 5.075 -0.331 1.00 0.00 H new ATOM 0 HA SER A 69 -10.875 4.165 2.291 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.238 2.792 -0.052 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.657 2.185 0.398 1.00 0.00 H new ATOM 0 HG SER A 69 -11.374 0.916 1.301 1.00 0.00 H new ATOM 994 N GLN A 70 -8.606 3.945 3.233 1.00 0.00 N ATOM 995 CA GLN A 70 -7.277 3.867 3.830 1.00 0.00 C ATOM 996 C GLN A 70 -6.999 2.405 4.157 1.00 0.00 C ATOM 997 O GLN A 70 -7.372 1.899 5.224 1.00 0.00 O ATOM 998 CB GLN A 70 -7.170 4.751 5.084 1.00 0.00 C ATOM 999 CG GLN A 70 -6.438 6.068 4.853 1.00 0.00 C ATOM 1000 CD GLN A 70 -4.930 5.909 4.769 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.415 5.793 3.550 1.00 0.00 O flip ATOM 1002 NE2 GLN A 70 -4.238 5.892 5.787 1.00 0.00 N flip ATOM 0 H GLN A 70 -9.369 3.969 3.909 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.532 4.242 3.128 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.173 4.965 5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.655 4.193 5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.801 6.521 3.930 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.679 6.757 5.662 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.676 5.984 6.703 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.226 5.786 5.714 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.351 1.735 3.210 1.00 0.00 N ATOM 1012 CA PHE A 71 -6.057 0.317 3.323 1.00 0.00 C ATOM 1013 C PHE A 71 -4.555 0.059 3.309 1.00 0.00 C ATOM 1014 O PHE A 71 -3.848 0.503 2.400 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.759 -0.414 2.161 1.00 0.00 C ATOM 1016 CG PHE A 71 -8.089 -1.081 2.482 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.831 -0.771 3.625 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.600 -2.026 1.609 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -10.037 -1.394 3.878 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.807 -2.650 1.860 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.525 -2.337 2.996 1.00 0.00 C ATOM 0 H PHE A 71 -6.017 2.161 2.346 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.429 -0.060 4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.922 0.303 1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.080 -1.175 1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.456 -0.034 4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.046 -2.280 0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.598 -1.143 4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -10.189 -3.384 1.166 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.466 -2.828 3.194 1.00 0.00 H new ATOM 1031 N LEU A 72 -4.082 -0.665 4.336 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.659 -1.007 4.478 1.00 0.00 C ATOM 1033 C LEU A 72 -2.278 -2.112 3.508 1.00 0.00 C ATOM 1034 O LEU A 72 -2.976 -3.124 3.391 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.281 -1.455 5.921 1.00 0.00 C ATOM 1036 CG LEU A 72 -3.382 -2.050 6.836 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -4.380 -0.981 7.247 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -4.091 -3.237 6.183 1.00 0.00 C ATOM 0 H LEU A 72 -4.671 -1.027 5.086 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.106 -0.095 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.486 -2.196 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.859 -0.591 6.434 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.889 -2.424 7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.143 -1.423 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.863 -0.190 7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.852 -0.562 6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.854 -3.622 6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.560 -2.914 5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.365 -4.022 5.970 1.00 0.00 H new ATOM 1050 N VAL A 73 -1.176 -1.896 2.811 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.686 -2.870 1.826 1.00 0.00 C ATOM 1052 C VAL A 73 0.793 -3.180 2.014 1.00 0.00 C ATOM 1053 O VAL A 73 1.570 -2.336 2.469 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.904 -2.421 0.349 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -1.138 -3.633 -0.552 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -2.054 -1.420 0.214 1.00 0.00 C ATOM 0 H VAL A 73 -0.598 -1.060 2.902 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.282 -3.764 2.010 1.00 0.00 H new ATOM 0 HB VAL A 73 0.006 -1.913 0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.288 -3.299 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.271 -4.292 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.022 -4.173 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.168 -1.136 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.978 -1.877 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.836 -0.533 0.809 1.00 0.00 H new ATOM 1066 N LEU A 74 1.156 -4.412 1.640 1.00 0.00 N ATOM 1067 CA LEU A 74 2.532 -4.897 1.721 1.00 0.00 C ATOM 1068 C LEU A 74 3.279 -4.572 0.435 1.00 0.00 C ATOM 1069 O LEU A 74 2.685 -4.574 -0.646 1.00 0.00 O ATOM 1070 CB LEU A 74 2.561 -6.428 1.943 1.00 0.00 C ATOM 1071 CG LEU A 74 1.902 -6.994 3.227 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.294 -6.200 4.467 1.00 0.00 C ATOM 1073 CD2 LEU A 74 0.385 -7.059 3.087 1.00 0.00 C ATOM 0 H LEU A 74 0.499 -5.100 1.272 1.00 0.00 H new ATOM 0 HA LEU A 74 3.014 -4.402 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.078 -6.898 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.604 -6.746 1.936 1.00 0.00 H new ATOM 0 HG LEU A 74 2.278 -8.009 3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.810 -6.631 5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.376 -6.236 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.977 -5.164 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.048 -7.460 4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.007 -6.058 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.124 -7.706 2.249 1.00 0.00 H new ATOM 1085 N TRP A 75 4.591 -4.320 0.554 1.00 0.00 N ATOM 1086 CA TRP A 75 5.447 -4.000 -0.610 1.00 0.00 C ATOM 1087 C TRP A 75 5.447 -5.134 -1.653 1.00 0.00 C ATOM 1088 O TRP A 75 5.880 -4.937 -2.793 1.00 0.00 O ATOM 1089 CB TRP A 75 6.889 -3.710 -0.158 1.00 0.00 C ATOM 1090 CG TRP A 75 7.070 -2.438 0.643 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.123 -1.763 1.373 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.291 -1.693 0.804 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.677 -0.655 1.959 1.00 0.00 N ATOM 1094 CE2 TRP A 75 8.002 -0.589 1.630 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.601 -1.850 0.330 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 8.968 0.347 1.991 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.558 -0.919 0.690 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.236 0.167 1.515 1.00 0.00 C ATOM 0 H TRP A 75 5.088 -4.330 1.445 1.00 0.00 H new ATOM 0 HA TRP A 75 5.029 -3.110 -1.080 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.241 -4.550 0.440 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.526 -3.658 -1.041 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.090 -2.062 1.471 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.180 0.014 2.547 1.00 0.00 H new ATOM 0 HE3 TRP A 75 9.858 -2.684 -0.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.723 1.186 2.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.570 -1.031 0.330 1.00 0.00 H new ATOM 0 HH2 TRP A 75 11.006 0.876 1.780 1.00 0.00 H new ATOM 1109 N LYS A 76 4.954 -6.314 -1.241 1.00 0.00 N ATOM 1110 CA LYS A 76 4.865 -7.497 -2.111 1.00 0.00 C ATOM 1111 C LYS A 76 3.624 -7.424 -3.013 1.00 0.00 C ATOM 1112 O LYS A 76 3.678 -7.799 -4.188 1.00 0.00 O ATOM 1113 CB LYS A 76 4.806 -8.781 -1.269 1.00 0.00 C ATOM 1114 CG LYS A 76 6.011 -8.988 -0.360 1.00 0.00 C ATOM 1115 CD LYS A 76 5.749 -10.076 0.677 1.00 0.00 C ATOM 1116 CE LYS A 76 5.527 -9.492 2.067 1.00 0.00 C ATOM 1117 NZ LYS A 76 6.808 -9.095 2.717 1.00 0.00 N1+ ATOM 0 H LYS A 76 4.606 -6.474 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 76 5.757 -7.515 -2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.904 -8.760 -0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.718 -9.637 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.879 -9.258 -0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.252 -8.053 0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.874 -10.656 0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.594 -10.764 0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.873 -8.623 1.995 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.016 -10.225 2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.612 -8.703 3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.423 -9.928 2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.284 -8.376 2.135 1.00 0.00 H new ATOM 1131 N ASP A 77 2.516 -6.934 -2.439 1.00 0.00 N ATOM 1132 CA ASP A 77 1.241 -6.792 -3.157 1.00 0.00 C ATOM 1133 C ASP A 77 1.114 -5.421 -3.836 1.00 0.00 C ATOM 1134 O ASP A 77 0.070 -5.104 -4.420 1.00 0.00 O ATOM 1135 CB ASP A 77 0.074 -6.994 -2.184 1.00 0.00 C ATOM 1136 CG ASP A 77 -0.496 -8.397 -2.243 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -1.353 -8.653 -3.113 1.00 0.00 O1- ATOM 1138 OD2 ASP A 77 -0.084 -9.241 -1.419 1.00 0.00 O ATOM 0 H ASP A 77 2.478 -6.626 -1.467 1.00 0.00 H new ATOM 0 HA ASP A 77 1.214 -7.553 -3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.412 -6.785 -1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.713 -6.276 -2.412 1.00 0.00 H new ATOM 1143 N ILE A 78 2.184 -4.623 -3.773 1.00 0.00 N ATOM 1144 CA ILE A 78 2.185 -3.282 -4.358 1.00 0.00 C ATOM 1145 C ILE A 78 2.981 -3.237 -5.668 1.00 0.00 C ATOM 1146 O ILE A 78 4.053 -3.839 -5.784 1.00 0.00 O ATOM 1147 CB ILE A 78 2.730 -2.229 -3.344 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.768 -2.132 -2.148 1.00 0.00 C ATOM 1149 CG2 ILE A 78 2.906 -0.854 -4.001 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.376 -1.544 -0.896 1.00 0.00 C ATOM 0 H ILE A 78 3.061 -4.884 -3.322 1.00 0.00 H new ATOM 0 HA ILE A 78 1.151 -3.029 -4.591 1.00 0.00 H new ATOM 0 HB ILE A 78 3.712 -2.554 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.909 -1.526 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.392 -3.129 -1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.287 -0.145 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.612 -0.934 -4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.944 -0.505 -4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.625 -1.515 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.216 -2.160 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.726 -0.532 -1.102 1.00 0.00 H new ATOM 1162 N SER A 79 2.421 -2.511 -6.642 1.00 0.00 N ATOM 1163 CA SER A 79 3.034 -2.322 -7.953 1.00 0.00 C ATOM 1164 C SER A 79 3.019 -0.826 -8.314 1.00 0.00 C ATOM 1165 O SER A 79 1.950 -0.280 -8.602 1.00 0.00 O ATOM 1166 CB SER A 79 2.286 -3.137 -9.022 1.00 0.00 C ATOM 1167 OG SER A 79 3.187 -3.911 -9.795 1.00 0.00 O ATOM 0 H SER A 79 1.524 -2.037 -6.538 1.00 0.00 H new ATOM 0 HA SER A 79 4.065 -2.674 -7.918 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.558 -3.791 -8.542 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.728 -2.464 -9.673 1.00 0.00 H new ATOM 0 HG SER A 79 2.687 -4.421 -10.466 1.00 0.00 H new ATOM 1173 N PRO A 80 4.192 -0.112 -8.282 1.00 0.00 N ATOM 1174 CA PRO A 80 4.250 1.332 -8.612 1.00 0.00 C ATOM 1175 C PRO A 80 3.631 1.662 -9.977 1.00 0.00 C ATOM 1176 O PRO A 80 4.041 1.119 -11.009 1.00 0.00 O ATOM 1177 CB PRO A 80 5.751 1.641 -8.604 1.00 0.00 C ATOM 1178 CG PRO A 80 6.330 0.628 -7.681 1.00 0.00 C ATOM 1179 CD PRO A 80 5.532 -0.627 -7.904 1.00 0.00 C ATOM 0 HA PRO A 80 3.675 1.929 -7.904 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.179 1.560 -9.603 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.947 2.655 -8.255 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.386 0.463 -7.893 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.260 0.957 -6.644 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.963 -1.244 -8.692 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.489 -1.242 -7.005 1.00 0.00 H new ATOM 1187 N ALA A 81 2.630 2.555 -9.954 1.00 0.00 N ATOM 1188 CA ALA A 81 1.909 2.982 -11.159 1.00 0.00 C ATOM 1189 C ALA A 81 2.783 3.846 -12.077 1.00 0.00 C ATOM 1190 O ALA A 81 2.880 3.581 -13.278 1.00 0.00 O ATOM 1191 CB ALA A 81 0.647 3.740 -10.762 1.00 0.00 C ATOM 0 H ALA A 81 2.299 3.001 -9.098 1.00 0.00 H new ATOM 0 HA ALA A 81 1.638 2.088 -11.720 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.115 4.055 -11.659 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.004 3.090 -10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.919 4.617 -10.174 1.00 0.00 H new ATOM 1197 N ALA A 82 3.418 4.882 -11.488 1.00 0.00 N ATOM 1198 CA ALA A 82 4.306 5.828 -12.207 1.00 0.00 C ATOM 1199 C ALA A 82 3.635 6.464 -13.446 1.00 0.00 C ATOM 1200 O ALA A 82 4.307 6.818 -14.424 1.00 0.00 O ATOM 1201 CB ALA A 82 5.630 5.150 -12.582 1.00 0.00 C ATOM 0 H ALA A 82 3.330 5.089 -10.493 1.00 0.00 H new ATOM 0 HA ALA A 82 4.514 6.647 -11.519 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.267 5.861 -13.108 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.135 4.812 -11.677 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.431 4.295 -13.227 1.00 0.00 H new ATOM 1207 N LEU A 83 2.306 6.619 -13.380 1.00 0.00 N ATOM 1208 CA LEU A 83 1.533 7.207 -14.478 1.00 0.00 C ATOM 1209 C LEU A 83 0.594 8.298 -13.962 1.00 0.00 C ATOM 1210 CB LEU A 83 0.733 6.127 -15.234 1.00 0.00 C ATOM 1211 CG LEU A 83 -0.060 5.134 -14.370 1.00 0.00 C ATOM 1212 CD1 LEU A 83 -1.525 5.533 -14.308 1.00 0.00 C ATOM 1213 CD2 LEU A 83 0.087 3.720 -14.913 1.00 0.00 C ATOM 0 H LEU A 83 1.744 6.344 -12.575 1.00 0.00 H new ATOM 0 HA LEU A 83 2.240 7.660 -15.174 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.036 6.627 -15.907 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.426 5.561 -15.856 1.00 0.00 H new ATOM 0 HG LEU A 83 0.345 5.158 -13.358 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.071 4.818 -13.692 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.613 6.529 -13.873 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.944 5.539 -15.314 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.481 3.030 -14.289 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.292 3.681 -15.934 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.139 3.435 -14.905 1.00 0.00 H new TER 1225 LEU A 83 ATOM 1226 N ALA B 331 -20.860 -2.435 -17.829 1.00 0.00 N ATOM 1227 CA ALA B 331 -21.188 -2.115 -16.415 1.00 0.00 C ATOM 1228 C ALA B 331 -20.894 -0.652 -16.102 1.00 0.00 C ATOM 1229 O ALA B 331 -19.966 -0.064 -16.666 1.00 0.00 O ATOM 1230 CB ALA B 331 -20.409 -3.022 -15.474 1.00 0.00 C ATOM 0 HA ALA B 331 -22.254 -2.286 -16.268 1.00 0.00 H new ATOM 0 HB1 ALA B 331 -20.659 -2.776 -14.442 1.00 0.00 H new ATOM 0 HB2 ALA B 331 -20.669 -4.062 -15.673 1.00 0.00 H new ATOM 0 HB3 ALA B 331 -19.340 -2.879 -15.632 1.00 0.00 H new ATOM 1235 N THR B 332 -21.695 -0.075 -15.201 1.00 0.00 N ATOM 1236 CA THR B 332 -21.538 1.323 -14.797 1.00 0.00 C ATOM 1237 C THR B 332 -20.986 1.421 -13.378 1.00 0.00 C ATOM 1238 O THR B 332 -21.432 0.699 -12.482 1.00 0.00 O ATOM 1239 CB THR B 332 -22.873 2.103 -14.870 1.00 0.00 C ATOM 1240 OG1 THR B 332 -23.856 1.359 -15.604 1.00 0.00 O ATOM 1241 CG2 THR B 332 -22.670 3.460 -15.529 1.00 0.00 C ATOM 0 H THR B 332 -22.463 -0.559 -14.736 1.00 0.00 H new ATOM 0 HA THR B 332 -20.835 1.771 -15.499 1.00 0.00 H new ATOM 0 HB THR B 332 -23.226 2.252 -13.850 1.00 0.00 H new ATOM 0 HG1 THR B 332 -24.693 1.867 -15.638 1.00 0.00 H new ATOM 0 HG21 THR B 332 -23.621 3.991 -15.570 1.00 0.00 H new ATOM 0 HG22 THR B 332 -21.954 4.043 -14.949 1.00 0.00 H new ATOM 0 HG23 THR B 332 -22.289 3.320 -16.541 1.00 0.00 H new ATOM 1249 N GLY B 333 -20.015 2.321 -13.191 1.00 0.00 N ATOM 1250 CA GLY B 333 -19.402 2.515 -11.885 1.00 0.00 C ATOM 1251 C GLY B 333 -18.137 3.349 -11.957 1.00 0.00 C ATOM 1252 O GLY B 333 -17.212 3.014 -12.703 1.00 0.00 O ATOM 0 H GLY B 333 -19.642 2.921 -13.927 1.00 0.00 H new ATOM 0 HA2 GLY B 333 -20.116 3.000 -11.220 1.00 0.00 H new ATOM 0 HA3 GLY B 333 -19.169 1.544 -11.448 1.00 0.00 H new ATOM 1256 N GLY B 334 -18.105 4.434 -11.176 1.00 0.00 N ATOM 1257 CA GLY B 334 -16.948 5.318 -11.153 1.00 0.00 C ATOM 1258 C GLY B 334 -16.067 5.093 -9.939 1.00 0.00 C ATOM 1259 O GLY B 334 -15.753 6.041 -9.212 1.00 0.00 O ATOM 0 H GLY B 334 -18.865 4.715 -10.557 1.00 0.00 H new ATOM 0 HA2 GLY B 334 -16.360 5.164 -12.058 1.00 0.00 H new ATOM 0 HA3 GLY B 334 -17.286 6.354 -11.165 1.00 0.00 H new ATOM 1263 N VAL B 335 -15.673 3.835 -9.725 1.00 0.00 N ATOM 1264 CA VAL B 335 -14.818 3.463 -8.592 1.00 0.00 C ATOM 1265 C VAL B 335 -13.589 2.681 -9.060 1.00 0.00 C ATOM 1266 O VAL B 335 -13.706 1.766 -9.878 1.00 0.00 O ATOM 1267 CB VAL B 335 -15.582 2.639 -7.515 1.00 0.00 C ATOM 1268 CG1 VAL B 335 -16.405 3.564 -6.635 1.00 0.00 C ATOM 1269 CG2 VAL B 335 -16.478 1.556 -8.129 1.00 0.00 C ATOM 0 H VAL B 335 -15.934 3.052 -10.325 1.00 0.00 H new ATOM 0 HA VAL B 335 -14.497 4.398 -8.133 1.00 0.00 H new ATOM 0 HB VAL B 335 -14.833 2.129 -6.910 1.00 0.00 H new ATOM 0 HG11 VAL B 335 -16.935 2.977 -5.885 1.00 0.00 H new ATOM 0 HG12 VAL B 335 -15.746 4.276 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL B 335 -17.126 4.104 -7.249 1.00 0.00 H new ATOM 0 HG21 VAL B 335 -16.987 1.011 -7.334 1.00 0.00 H new ATOM 0 HG22 VAL B 335 -17.217 2.022 -8.781 1.00 0.00 H new ATOM 0 HG23 VAL B 335 -15.867 0.864 -8.709 1.00 0.00 H new HETATM 1279 N M3L B 336 -12.411 3.049 -8.511 1.00 0.00 N HETATM 1280 CA M3L B 336 -11.103 2.412 -8.842 1.00 0.00 C HETATM 1281 CB M3L B 336 -11.043 0.944 -8.362 1.00 0.00 C HETATM 1282 CG M3L B 336 -11.541 0.737 -6.935 1.00 0.00 C HETATM 1283 CD M3L B 336 -10.428 0.908 -5.910 1.00 0.00 C HETATM 1284 CE M3L B 336 -10.959 1.521 -4.594 1.00 0.00 C HETATM 1285 NZ M3L B 336 -10.975 0.577 -3.398 1.00 0.00 N HETATM 1286 C M3L B 336 -10.767 2.486 -10.338 1.00 0.00 C HETATM 1287 O M3L B 336 -11.584 2.123 -11.187 1.00 0.00 O HETATM 1288 CM1 M3L B 336 -9.600 0.192 -2.982 1.00 0.00 C HETATM 1289 CM2 M3L B 336 -11.795 -0.636 -3.706 1.00 0.00 C HETATM 1290 CM3 M3L B 336 -11.574 1.269 -2.239 1.00 0.00 C HETATM 0 HM33 M3L B 336 -10.984 2.153 -1.998 1.00 0.00 H new HETATM 0 HM32 M3L B 336 -12.594 1.568 -2.481 1.00 0.00 H new HETATM 0 HM31 M3L B 336 -11.587 0.597 -1.381 1.00 0.00 H new HETATM 0 HM23 M3L B 336 -12.817 -0.335 -3.936 1.00 0.00 H new HETATM 0 HM22 M3L B 336 -11.368 -1.156 -4.564 1.00 0.00 H new HETATM 0 HM21 M3L B 336 -11.798 -1.302 -2.843 1.00 0.00 H new HETATM 0 HM13 M3L B 336 -9.097 -0.310 -3.808 1.00 0.00 H new HETATM 0 HM12 M3L B 336 -9.040 1.085 -2.706 1.00 0.00 H new HETATM 0 HM11 M3L B 336 -9.654 -0.481 -2.127 1.00 0.00 H new HETATM 0 HG3 M3L B 336 -12.340 1.447 -6.724 1.00 0.00 H new HETATM 0 HG2 M3L B 336 -11.969 -0.261 -6.842 1.00 0.00 H new HETATM 0 HE3 M3L B 336 -10.348 2.388 -4.344 1.00 0.00 H new HETATM 0 HE2 M3L B 336 -11.973 1.883 -4.764 1.00 0.00 H new HETATM 0 HD3 M3L B 336 -9.971 -0.060 -5.703 1.00 0.00 H new HETATM 0 HD2 M3L B 336 -9.648 1.548 -6.322 1.00 0.00 H new HETATM 0 HB3 M3L B 336 -11.637 0.327 -9.036 1.00 0.00 H new HETATM 0 HB2 M3L B 336 -10.014 0.592 -8.431 1.00 0.00 H new HETATM 0 HA M3L B 336 -10.351 2.989 -8.304 1.00 0.00 H new ATOM 1310 N LYS B 337 -9.546 2.954 -10.644 1.00 0.00 N ATOM 1311 CA LYS B 337 -9.085 3.081 -12.035 1.00 0.00 C ATOM 1312 C LYS B 337 -7.643 2.525 -12.221 1.00 0.00 C ATOM 1313 O LYS B 337 -6.792 3.204 -12.812 1.00 0.00 O ATOM 1314 CB LYS B 337 -9.157 4.558 -12.476 1.00 0.00 C ATOM 1315 CG LYS B 337 -10.573 5.139 -12.495 1.00 0.00 C ATOM 1316 CD LYS B 337 -10.860 6.020 -11.277 1.00 0.00 C ATOM 1317 CE LYS B 337 -10.795 7.497 -11.637 1.00 0.00 C ATOM 1318 NZ LYS B 337 -10.959 8.368 -10.442 1.00 0.00 N1+ ATOM 0 H LYS B 337 -8.862 3.250 -9.948 1.00 0.00 H new ATOM 0 HA LYS B 337 -9.744 2.483 -12.664 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -8.540 5.156 -11.806 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -8.726 4.649 -13.473 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -10.710 5.725 -13.404 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -11.296 4.324 -12.529 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -11.847 5.783 -10.878 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -10.138 5.803 -10.490 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -9.839 7.712 -12.115 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -11.574 7.728 -12.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -10.582 9.315 -10.648 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -11.968 8.442 -10.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -10.441 7.957 -9.639 1.00 0.00 H new ATOM 1332 N PRO B 338 -7.328 1.278 -11.730 1.00 0.00 N ATOM 1333 CA PRO B 338 -5.983 0.674 -11.857 1.00 0.00 C ATOM 1334 C PRO B 338 -5.679 0.084 -13.240 1.00 0.00 C ATOM 1335 O PRO B 338 -6.351 0.387 -14.230 1.00 0.00 O ATOM 1336 CB PRO B 338 -5.991 -0.452 -10.797 1.00 0.00 C ATOM 1337 CG PRO B 338 -7.225 -0.235 -10.006 1.00 0.00 C ATOM 1338 CD PRO B 338 -8.201 0.371 -10.964 1.00 0.00 C ATOM 0 HA PRO B 338 -5.213 1.432 -11.717 1.00 0.00 H new ATOM 0 HB2 PRO B 338 -5.993 -1.435 -11.268 1.00 0.00 H new ATOM 0 HB3 PRO B 338 -5.105 -0.403 -10.165 1.00 0.00 H new ATOM 0 HG2 PRO B 338 -7.603 -1.173 -9.599 1.00 0.00 H new ATOM 0 HG3 PRO B 338 -7.040 0.427 -9.160 1.00 0.00 H new ATOM 0 HD2 PRO B 338 -8.673 -0.379 -11.599 1.00 0.00 H new ATOM 0 HD3 PRO B 338 -9.001 0.905 -10.452 1.00 0.00 H new ATOM 1346 N HIS B 339 -4.643 -0.769 -13.264 1.00 0.00 N ATOM 1347 CA HIS B 339 -4.157 -1.448 -14.463 1.00 0.00 C ATOM 1348 C HIS B 339 -5.048 -2.644 -14.838 1.00 0.00 C ATOM 1349 O HIS B 339 -5.487 -3.398 -13.966 1.00 0.00 O ATOM 1350 CB HIS B 339 -2.692 -1.868 -14.186 1.00 0.00 C ATOM 1351 CG HIS B 339 -2.305 -3.264 -14.564 1.00 0.00 C ATOM 1352 ND1 HIS B 339 -2.332 -3.741 -15.853 1.00 0.00 N ATOM 1353 CD2 HIS B 339 -1.863 -4.280 -13.792 1.00 0.00 C ATOM 1354 CE1 HIS B 339 -1.924 -4.996 -15.859 1.00 0.00 C ATOM 1355 NE2 HIS B 339 -1.633 -5.347 -14.620 1.00 0.00 N ATOM 0 H HIS B 339 -4.111 -1.008 -12.427 1.00 0.00 H new ATOM 0 HA HIS B 339 -4.196 -0.782 -15.325 1.00 0.00 H new ATOM 0 HB2 HIS B 339 -2.035 -1.178 -14.716 1.00 0.00 H new ATOM 0 HB3 HIS B 339 -2.497 -1.738 -13.121 1.00 0.00 H new ATOM 0 HD2 HIS B 339 -1.718 -4.256 -12.722 1.00 0.00 H new ATOM 0 HE1 HIS B 339 -1.842 -5.629 -16.730 1.00 0.00 H new ATOM 0 HE2 HIS B 339 -1.293 -6.263 -14.327 1.00 0.00 H new ATOM 1364 N ARG B 340 -5.288 -2.799 -16.158 1.00 0.00 N ATOM 1365 CA ARG B 340 -6.113 -3.887 -16.742 1.00 0.00 C ATOM 1366 C ARG B 340 -7.600 -3.773 -16.363 1.00 0.00 C ATOM 1367 O ARG B 340 -8.451 -3.619 -17.244 1.00 0.00 O ATOM 1368 CB ARG B 340 -5.567 -5.282 -16.373 1.00 0.00 C ATOM 1369 CG ARG B 340 -4.952 -6.023 -17.550 1.00 0.00 C ATOM 1370 CD ARG B 340 -4.450 -7.401 -17.143 1.00 0.00 C ATOM 1371 NE ARG B 340 -4.743 -8.416 -18.163 1.00 0.00 N ATOM 1372 CZ ARG B 340 -3.851 -9.290 -18.650 1.00 0.00 C ATOM 1373 NH1 ARG B 340 -2.588 -9.298 -18.227 1.00 0.00 N1+ ATOM 1374 NH2 ARG B 340 -4.231 -10.166 -19.571 1.00 0.00 N ATOM 0 H ARG B 340 -4.910 -2.164 -16.861 1.00 0.00 H new ATOM 0 HA ARG B 340 -6.043 -3.767 -17.823 1.00 0.00 H new ATOM 0 HB2 ARG B 340 -4.817 -5.174 -15.590 1.00 0.00 H new ATOM 0 HB3 ARG B 340 -6.377 -5.883 -15.959 1.00 0.00 H new ATOM 0 HG2 ARG B 340 -5.692 -6.124 -18.344 1.00 0.00 H new ATOM 0 HG3 ARG B 340 -4.126 -5.440 -17.957 1.00 0.00 H new ATOM 0 HD2 ARG B 340 -3.374 -7.359 -16.972 1.00 0.00 H new ATOM 0 HD3 ARG B 340 -4.912 -7.691 -16.199 1.00 0.00 H new ATOM 0 HE ARG B 340 -5.695 -8.459 -18.527 1.00 0.00 H new ATOM 0 HH11 ARG B 340 -2.283 -8.630 -17.519 1.00 0.00 H new ATOM 0 HH12 ARG B 340 -1.926 -9.972 -18.611 1.00 0.00 H new ATOM 0 HH21 ARG B 340 -5.195 -10.171 -19.903 1.00 0.00 H new ATOM 0 HH22 ARG B 340 -3.559 -10.835 -19.947 1.00 0.00 H new ATOM 1388 N TYR B 341 -7.901 -3.849 -15.060 1.00 0.00 N ATOM 1389 CA TYR B 341 -9.270 -3.761 -14.570 1.00 0.00 C ATOM 1390 C TYR B 341 -9.463 -2.520 -13.705 1.00 0.00 C ATOM 1391 CB TYR B 341 -9.617 -5.018 -13.768 1.00 0.00 C ATOM 1392 CG TYR B 341 -10.943 -5.636 -14.147 1.00 0.00 C ATOM 1393 CD1 TYR B 341 -12.135 -5.100 -13.680 1.00 0.00 C ATOM 1394 CD2 TYR B 341 -11.004 -6.756 -14.967 1.00 0.00 C ATOM 1395 CE1 TYR B 341 -13.352 -5.660 -14.018 1.00 0.00 C ATOM 1396 CE2 TYR B 341 -12.217 -7.322 -15.312 1.00 0.00 C ATOM 1397 CZ TYR B 341 -13.388 -6.771 -14.835 1.00 0.00 C ATOM 1398 OH TYR B 341 -14.597 -7.331 -15.175 1.00 0.00 O ATOM 0 H TYR B 341 -7.203 -3.972 -14.326 1.00 0.00 H new ATOM 0 HA TYR B 341 -9.937 -3.684 -15.428 1.00 0.00 H new ATOM 0 HB2 TYR B 341 -8.828 -5.757 -13.909 1.00 0.00 H new ATOM 0 HB3 TYR B 341 -9.633 -4.768 -12.707 1.00 0.00 H new ATOM 0 HD1 TYR B 341 -12.111 -4.230 -13.041 1.00 0.00 H new ATOM 0 HD2 TYR B 341 -10.089 -7.191 -15.341 1.00 0.00 H new ATOM 0 HE1 TYR B 341 -14.270 -5.230 -13.645 1.00 0.00 H new ATOM 0 HE2 TYR B 341 -12.248 -8.191 -15.952 1.00 0.00 H new ATOM 0 HH TYR B 341 -14.447 -8.105 -15.757 1.00 0.00 H new TER 1408 TYR B 341