USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 GLN : amide:sc= -0.164 K(o=-0.15,f=-1.3) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -108:sc= 0.0171 (180deg=0) USER MOD Set 2.1: A 24 ASN : amide:sc= -0.314 K(o=-0.56,f=-2.8) USER MOD Set 2.2: A 107 MET CE :methyl 161:sc= -0.245 (180deg=-0.875) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= -0.0708 (180deg=-0.372) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -2.47 K(o=-2.5,f=-6.3!) USER MOD Single : A 33 TYR OH : rot -80:sc= 1.27 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 40 SER OG : rot -15:sc= 0.586 USER MOD Single : A 41 CYS SG : rot 18:sc= 0.749 USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= 1.2 (180deg=0.992) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 55 TYR OH : rot 0:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.169 USER MOD Single : A 68 THR OG1 : rot -160:sc= 0.0444 USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0824) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 173:sc= -0.226 USER MOD Single : A 80 LYS NZ :NH3+ 165:sc= -0.0282 (180deg=-0.239) USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0111) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 71:sc= 0.705 USER MOD Single : A 108 THR OG1 : rot -83:sc= 0.0207 USER MOD Single : A 109 ASN : amide:sc= -3.01! C(o=-3!,f=-4.8!) USER MOD Single : A 114 TYR OH : rot 180:sc= -0.411 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0.012 X(o=0.012,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -3.066 -9.830 -10.391 1.00 4.23 N ATOM 19 CA GLY A 2 -1.745 -9.269 -10.234 1.00 60.52 C ATOM 20 C GLY A 2 -1.607 -8.048 -11.106 1.00 35.43 C ATOM 21 O GLY A 2 -1.207 -8.119 -12.263 1.00 4.45 O ATOM 0 HA2 GLY A 2 -1.573 -9.004 -9.191 1.00 60.52 H new ATOM 0 HA3 GLY A 2 -0.991 -10.008 -10.504 1.00 60.52 H new ATOM 25 N ILE A 3 -1.988 -6.918 -10.541 1.00 12.22 N ATOM 26 CA ILE A 3 -1.818 -5.604 -11.139 1.00 62.31 C ATOM 27 C ILE A 3 -0.313 -5.325 -11.229 1.00 42.41 C ATOM 28 O ILE A 3 0.463 -5.746 -10.365 1.00 0.22 O ATOM 29 CB ILE A 3 -2.545 -4.551 -10.276 1.00 1.20 C ATOM 30 CG1 ILE A 3 -3.976 -5.035 -9.929 1.00 35.04 C ATOM 31 CG2 ILE A 3 -2.571 -3.162 -10.934 1.00 44.14 C ATOM 32 CD1 ILE A 3 -4.819 -4.001 -9.174 1.00 24.35 C ATOM 0 H ILE A 3 -2.438 -6.886 -9.626 1.00 12.22 H new ATOM 0 HA ILE A 3 -2.250 -5.560 -12.139 1.00 62.31 H new ATOM 0 HB ILE A 3 -1.977 -4.441 -9.352 1.00 1.20 H new ATOM 0 HG12 ILE A 3 -4.491 -5.304 -10.851 1.00 35.04 H new ATOM 0 HG13 ILE A 3 -3.906 -5.941 -9.327 1.00 35.04 H new ATOM 0 HG21 ILE A 3 -3.094 -2.461 -10.284 1.00 44.14 H new ATOM 0 HG22 ILE A 3 -1.550 -2.816 -11.094 1.00 44.14 H new ATOM 0 HG23 ILE A 3 -3.087 -3.223 -11.892 1.00 44.14 H new ATOM 0 HD11 ILE A 3 -5.806 -4.416 -8.969 1.00 24.35 H new ATOM 0 HD12 ILE A 3 -4.329 -3.748 -8.234 1.00 24.35 H new ATOM 0 HD13 ILE A 3 -4.923 -3.102 -9.782 1.00 24.35 H new ATOM 44 N THR A 4 0.078 -4.544 -12.227 1.00 42.11 N ATOM 45 CA THR A 4 1.393 -3.942 -12.369 1.00 63.15 C ATOM 46 C THR A 4 1.322 -2.513 -11.817 1.00 24.21 C ATOM 47 O THR A 4 0.510 -1.698 -12.265 1.00 22.33 O ATOM 48 CB THR A 4 1.822 -3.982 -13.845 1.00 20.42 C ATOM 49 OG1 THR A 4 2.215 -5.295 -14.215 1.00 40.40 O ATOM 50 CG2 THR A 4 3.006 -3.045 -14.096 1.00 74.52 C ATOM 0 H THR A 4 -0.546 -4.302 -12.997 1.00 42.11 H new ATOM 0 HA THR A 4 2.146 -4.493 -11.806 1.00 63.15 H new ATOM 0 HB THR A 4 0.966 -3.664 -14.439 1.00 20.42 H new ATOM 0 HG1 THR A 4 2.483 -5.303 -15.158 1.00 40.40 H new ATOM 0 HG21 THR A 4 3.290 -3.092 -15.147 1.00 74.52 H new ATOM 0 HG22 THR A 4 2.722 -2.024 -13.842 1.00 74.52 H new ATOM 0 HG23 THR A 4 3.850 -3.351 -13.478 1.00 74.52 H new ATOM 58 N ILE A 5 2.184 -2.196 -10.852 1.00 70.43 N ATOM 59 CA ILE A 5 2.386 -0.829 -10.396 1.00 74.34 C ATOM 60 C ILE A 5 3.240 -0.064 -11.407 1.00 21.34 C ATOM 61 O ILE A 5 4.118 -0.636 -12.056 1.00 64.45 O ATOM 62 CB ILE A 5 3.028 -0.838 -8.991 1.00 51.44 C ATOM 63 CG1 ILE A 5 2.169 -1.569 -7.935 1.00 72.34 C ATOM 64 CG2 ILE A 5 3.454 0.537 -8.455 1.00 24.23 C ATOM 65 CD1 ILE A 5 0.748 -1.038 -7.749 1.00 32.41 C ATOM 0 H ILE A 5 2.761 -2.883 -10.366 1.00 70.43 H new ATOM 0 HA ILE A 5 1.426 -0.318 -10.321 1.00 74.34 H new ATOM 0 HB ILE A 5 3.946 -1.404 -9.153 1.00 51.44 H new ATOM 0 HG12 ILE A 5 2.110 -2.622 -8.208 1.00 72.34 H new ATOM 0 HG13 ILE A 5 2.684 -1.517 -6.976 1.00 72.34 H new ATOM 0 HG21 ILE A 5 3.892 0.421 -7.464 1.00 24.23 H new ATOM 0 HG22 ILE A 5 4.189 0.978 -9.128 1.00 24.23 H new ATOM 0 HG23 ILE A 5 2.583 1.189 -8.392 1.00 24.23 H new ATOM 0 HD11 ILE A 5 0.238 -1.624 -6.985 1.00 32.41 H new ATOM 0 HD12 ILE A 5 0.787 0.006 -7.439 1.00 32.41 H new ATOM 0 HD13 ILE A 5 0.204 -1.116 -8.690 1.00 32.41 H new ATOM 77 N THR A 6 3.031 1.247 -11.477 1.00 32.23 N ATOM 78 CA THR A 6 3.926 2.194 -12.111 1.00 12.25 C ATOM 79 C THR A 6 4.514 3.134 -11.046 1.00 55.24 C ATOM 80 O THR A 6 3.821 3.589 -10.129 1.00 25.24 O ATOM 81 CB THR A 6 3.159 2.918 -13.230 1.00 24.11 C ATOM 82 OG1 THR A 6 1.832 3.238 -12.858 1.00 55.44 O ATOM 83 CG2 THR A 6 3.051 2.029 -14.466 1.00 15.33 C ATOM 0 H THR A 6 2.203 1.689 -11.078 1.00 32.23 H new ATOM 0 HA THR A 6 4.777 1.697 -12.578 1.00 12.25 H new ATOM 0 HB THR A 6 3.721 3.830 -13.429 1.00 24.11 H new ATOM 0 HG1 THR A 6 1.386 3.698 -13.600 1.00 55.44 H new ATOM 0 HG21 THR A 6 2.505 2.557 -15.248 1.00 15.33 H new ATOM 0 HG22 THR A 6 4.050 1.782 -14.825 1.00 15.33 H new ATOM 0 HG23 THR A 6 2.520 1.112 -14.209 1.00 15.33 H new ATOM 91 N ASP A 7 5.810 3.419 -11.162 1.00 44.44 N ATOM 92 CA ASP A 7 6.549 4.384 -10.355 1.00 32.21 C ATOM 93 C ASP A 7 6.069 5.802 -10.678 1.00 12.02 C ATOM 94 O ASP A 7 6.212 6.696 -9.854 1.00 44.42 O ATOM 95 CB ASP A 7 8.066 4.305 -10.641 1.00 1.04 C ATOM 96 CG ASP A 7 8.781 3.019 -10.210 1.00 42.11 C ATOM 97 OD1 ASP A 7 8.116 2.047 -9.779 1.00 15.22 O ATOM 98 OD2 ASP A 7 10.019 2.933 -10.385 1.00 23.04 O ATOM 0 H ASP A 7 6.400 2.960 -11.856 1.00 44.44 H new ATOM 0 HA ASP A 7 6.371 4.148 -9.306 1.00 32.21 H new ATOM 0 HB2 ASP A 7 8.218 4.436 -11.712 1.00 1.04 H new ATOM 0 HB3 ASP A 7 8.550 5.146 -10.145 1.00 1.04 H new ATOM 103 N GLU A 8 5.469 6.031 -11.848 1.00 53.51 N ATOM 104 CA GLU A 8 4.816 7.300 -12.138 1.00 35.55 C ATOM 105 C GLU A 8 3.612 7.519 -11.223 1.00 23.13 C ATOM 106 O GLU A 8 3.405 8.626 -10.730 1.00 34.13 O ATOM 107 CB GLU A 8 4.458 7.384 -13.629 1.00 35.11 C ATOM 108 CG GLU A 8 3.509 6.301 -14.137 1.00 53.13 C ATOM 109 CD GLU A 8 2.460 6.803 -15.122 1.00 44.54 C ATOM 110 OE1 GLU A 8 2.815 6.947 -16.312 1.00 42.44 O ATOM 111 OE2 GLU A 8 1.289 6.935 -14.698 1.00 65.30 O ATOM 0 H GLU A 8 5.424 5.351 -12.607 1.00 53.51 H new ATOM 0 HA GLU A 8 5.509 8.115 -11.929 1.00 35.55 H new ATOM 0 HB2 GLU A 8 4.008 8.358 -13.823 1.00 35.11 H new ATOM 0 HB3 GLU A 8 5.379 7.337 -14.210 1.00 35.11 H new ATOM 0 HG2 GLU A 8 4.094 5.516 -14.615 1.00 53.13 H new ATOM 0 HG3 GLU A 8 3.003 5.847 -13.285 1.00 53.13 H new ATOM 118 N LEU A 9 2.844 6.467 -10.942 1.00 11.41 N ATOM 119 CA LEU A 9 1.587 6.551 -10.286 1.00 73.54 C ATOM 120 C LEU A 9 1.813 6.486 -8.788 1.00 2.41 C ATOM 121 O LEU A 9 1.072 7.111 -8.041 1.00 11.03 O ATOM 122 CB LEU A 9 0.781 5.372 -10.825 1.00 35.30 C ATOM 123 CG LEU A 9 -0.623 5.310 -10.254 1.00 33.04 C ATOM 124 CD1 LEU A 9 -1.402 6.630 -10.172 1.00 23.14 C ATOM 125 CD2 LEU A 9 -1.447 4.297 -11.052 1.00 24.21 C ATOM 0 H LEU A 9 3.109 5.512 -11.182 1.00 11.41 H new ATOM 0 HA LEU A 9 1.049 7.481 -10.470 1.00 73.54 H new ATOM 0 HB2 LEU A 9 0.724 5.443 -11.911 1.00 35.30 H new ATOM 0 HB3 LEU A 9 1.304 4.444 -10.593 1.00 35.30 H new ATOM 0 HG LEU A 9 -0.475 5.016 -9.215 1.00 33.04 H new ATOM 0 HD11 LEU A 9 -2.388 6.445 -9.746 1.00 23.14 H new ATOM 0 HD12 LEU A 9 -0.860 7.334 -9.540 1.00 23.14 H new ATOM 0 HD13 LEU A 9 -1.511 7.051 -11.172 1.00 23.14 H new ATOM 0 HD21 LEU A 9 -2.457 4.249 -10.645 1.00 24.21 H new ATOM 0 HD22 LEU A 9 -1.491 4.606 -12.096 1.00 24.21 H new ATOM 0 HD23 LEU A 9 -0.981 3.314 -10.983 1.00 24.21 H new ATOM 137 N LEU A 10 2.825 5.762 -8.287 1.00 42.33 N ATOM 138 CA LEU A 10 3.025 5.736 -6.856 1.00 51.34 C ATOM 139 C LEU A 10 3.556 7.087 -6.368 1.00 35.10 C ATOM 140 O LEU A 10 3.259 7.468 -5.236 1.00 51.10 O ATOM 141 CB LEU A 10 3.799 4.465 -6.514 1.00 63.22 C ATOM 142 CG LEU A 10 5.288 4.478 -6.195 1.00 73.32 C ATOM 143 CD1 LEU A 10 6.141 5.536 -6.860 1.00 72.42 C ATOM 144 CD2 LEU A 10 5.541 4.496 -4.686 1.00 64.02 C ATOM 0 H LEU A 10 3.486 5.212 -8.836 1.00 42.33 H new ATOM 0 HA LEU A 10 2.104 5.649 -6.280 1.00 51.34 H new ATOM 0 HB2 LEU A 10 3.299 4.016 -5.655 1.00 63.22 H new ATOM 0 HB3 LEU A 10 3.665 3.782 -7.353 1.00 63.22 H new ATOM 0 HG LEU A 10 5.619 3.542 -6.644 1.00 73.32 H new ATOM 0 HD11 LEU A 10 7.177 5.423 -6.539 1.00 72.42 H new ATOM 0 HD12 LEU A 10 6.082 5.424 -7.943 1.00 72.42 H new ATOM 0 HD13 LEU A 10 5.780 6.525 -6.578 1.00 72.42 H new ATOM 0 HD21 LEU A 10 6.614 4.505 -4.497 1.00 64.02 H new ATOM 0 HD22 LEU A 10 5.089 5.388 -4.252 1.00 64.02 H new ATOM 0 HD23 LEU A 10 5.100 3.608 -4.233 1.00 64.02 H new ATOM 156 N TRP A 11 4.232 7.853 -7.240 1.00 43.33 N ATOM 157 CA TRP A 11 4.601 9.237 -6.969 1.00 64.25 C ATOM 158 C TRP A 11 3.384 10.086 -6.613 1.00 64.41 C ATOM 159 O TRP A 11 3.492 10.940 -5.736 1.00 35.30 O ATOM 160 CB TRP A 11 5.382 9.849 -8.142 1.00 44.04 C ATOM 161 CG TRP A 11 6.863 9.872 -7.954 1.00 13.40 C ATOM 162 CD1 TRP A 11 7.762 9.244 -8.737 1.00 13.03 C ATOM 163 CD2 TRP A 11 7.640 10.561 -6.931 1.00 11.20 C ATOM 164 NE1 TRP A 11 9.029 9.466 -8.248 1.00 22.31 N ATOM 165 CE2 TRP A 11 9.017 10.245 -7.111 1.00 45.31 C ATOM 166 CE3 TRP A 11 7.319 11.432 -5.871 1.00 11.23 C ATOM 167 CZ2 TRP A 11 10.018 10.733 -6.252 1.00 11.02 C ATOM 168 CZ3 TRP A 11 8.311 11.938 -5.010 1.00 73.11 C ATOM 169 CH2 TRP A 11 9.657 11.577 -5.186 1.00 72.34 C ATOM 0 H TRP A 11 4.536 7.520 -8.155 1.00 43.33 H new ATOM 0 HA TRP A 11 5.259 9.231 -6.100 1.00 64.25 H new ATOM 0 HB2 TRP A 11 5.152 9.288 -9.048 1.00 44.04 H new ATOM 0 HB3 TRP A 11 5.033 10.869 -8.302 1.00 44.04 H new ATOM 0 HD1 TRP A 11 7.525 8.658 -9.612 1.00 13.03 H new ATOM 0 HE1 TRP A 11 9.878 9.097 -8.677 1.00 22.31 H new ATOM 0 HE3 TRP A 11 6.289 11.718 -5.716 1.00 11.23 H new ATOM 0 HZ2 TRP A 11 11.052 10.463 -6.409 1.00 11.02 H new ATOM 0 HZ3 TRP A 11 8.035 12.608 -4.209 1.00 73.11 H new ATOM 0 HH2 TRP A 11 10.411 11.946 -4.506 1.00 72.34 H new ATOM 180 N ALA A 12 2.226 9.846 -7.230 1.00 44.54 N ATOM 181 CA ALA A 12 1.024 10.632 -6.999 1.00 52.34 C ATOM 182 C ALA A 12 0.511 10.553 -5.554 1.00 13.00 C ATOM 183 O ALA A 12 -0.215 11.457 -5.131 1.00 62.32 O ATOM 184 CB ALA A 12 -0.054 10.191 -7.986 1.00 61.44 C ATOM 0 H ALA A 12 2.100 9.094 -7.908 1.00 44.54 H new ATOM 0 HA ALA A 12 1.278 11.680 -7.161 1.00 52.34 H new ATOM 0 HB1 ALA A 12 -0.960 10.775 -7.821 1.00 61.44 H new ATOM 0 HB2 ALA A 12 0.299 10.350 -9.005 1.00 61.44 H new ATOM 0 HB3 ALA A 12 -0.272 9.133 -7.838 1.00 61.44 H new ATOM 190 N ILE A 13 0.876 9.519 -4.784 1.00 70.32 N ATOM 191 CA ILE A 13 0.615 9.467 -3.354 1.00 54.04 C ATOM 192 C ILE A 13 1.515 10.500 -2.670 1.00 44.14 C ATOM 193 O ILE A 13 1.014 11.322 -1.900 1.00 15.25 O ATOM 194 CB ILE A 13 0.812 8.038 -2.787 1.00 54.53 C ATOM 195 CG1 ILE A 13 -0.203 7.011 -3.344 1.00 31.44 C ATOM 196 CG2 ILE A 13 0.661 8.054 -1.255 1.00 73.10 C ATOM 197 CD1 ILE A 13 0.248 6.334 -4.641 1.00 2.31 C ATOM 0 H ILE A 13 1.361 8.697 -5.144 1.00 70.32 H new ATOM 0 HA ILE A 13 -0.428 9.714 -3.155 1.00 54.04 H new ATOM 0 HB ILE A 13 1.813 7.733 -3.093 1.00 54.53 H new ATOM 0 HG12 ILE A 13 -0.382 6.245 -2.589 1.00 31.44 H new ATOM 0 HG13 ILE A 13 -1.154 7.513 -3.520 1.00 31.44 H new ATOM 0 HG21 ILE A 13 0.801 7.046 -0.865 1.00 73.10 H new ATOM 0 HG22 ILE A 13 1.410 8.718 -0.822 1.00 73.10 H new ATOM 0 HG23 ILE A 13 -0.335 8.410 -0.991 1.00 73.10 H new ATOM 0 HD11 ILE A 13 -0.516 5.629 -4.968 1.00 2.31 H new ATOM 0 HD12 ILE A 13 0.399 7.089 -5.412 1.00 2.31 H new ATOM 0 HD13 ILE A 13 1.183 5.801 -4.467 1.00 2.31 H new ATOM 209 N LEU A 14 2.838 10.453 -2.895 1.00 1.45 N ATOM 210 CA LEU A 14 3.782 11.362 -2.270 1.00 34.10 C ATOM 211 C LEU A 14 3.479 12.818 -2.632 1.00 0.12 C ATOM 212 O LEU A 14 3.489 13.653 -1.729 1.00 64.43 O ATOM 213 CB LEU A 14 5.226 11.004 -2.675 1.00 12.44 C ATOM 214 CG LEU A 14 5.771 9.600 -2.317 1.00 41.23 C ATOM 215 CD1 LEU A 14 5.039 8.860 -1.187 1.00 32.04 C ATOM 216 CD2 LEU A 14 5.983 8.699 -3.539 1.00 72.23 C ATOM 0 H LEU A 14 3.274 9.776 -3.521 1.00 1.45 H new ATOM 0 HA LEU A 14 3.679 11.254 -1.190 1.00 34.10 H new ATOM 0 HB2 LEU A 14 5.306 11.124 -3.755 1.00 12.44 H new ATOM 0 HB3 LEU A 14 5.889 11.741 -2.222 1.00 12.44 H new ATOM 0 HG LEU A 14 6.752 9.831 -1.901 1.00 41.23 H new ATOM 0 HD11 LEU A 14 5.508 7.889 -1.024 1.00 32.04 H new ATOM 0 HD12 LEU A 14 5.095 9.448 -0.271 1.00 32.04 H new ATOM 0 HD13 LEU A 14 3.994 8.717 -1.463 1.00 32.04 H new ATOM 0 HD21 LEU A 14 6.366 7.731 -3.215 1.00 72.23 H new ATOM 0 HD22 LEU A 14 5.034 8.559 -4.057 1.00 72.23 H new ATOM 0 HD23 LEU A 14 6.700 9.165 -4.215 1.00 72.23 H new ATOM 228 N LYS A 15 3.230 13.124 -3.915 1.00 34.22 N ATOM 229 CA LYS A 15 3.177 14.483 -4.447 1.00 72.32 C ATOM 230 C LYS A 15 2.068 15.300 -3.783 1.00 60.13 C ATOM 231 O LYS A 15 2.328 16.037 -2.837 1.00 25.34 O ATOM 232 CB LYS A 15 2.991 14.423 -5.983 1.00 23.42 C ATOM 233 CG LYS A 15 4.220 14.025 -6.812 1.00 45.22 C ATOM 234 CD LYS A 15 5.421 14.935 -6.524 1.00 33.51 C ATOM 235 CE LYS A 15 6.453 14.967 -7.656 1.00 32.24 C ATOM 236 NZ LYS A 15 5.909 15.479 -8.935 1.00 13.33 N ATOM 0 H LYS A 15 3.056 12.411 -4.624 1.00 34.22 H new ATOM 0 HA LYS A 15 4.116 14.988 -4.222 1.00 72.32 H new ATOM 0 HB2 LYS A 15 2.190 13.716 -6.201 1.00 23.42 H new ATOM 0 HB3 LYS A 15 2.654 15.402 -6.323 1.00 23.42 H new ATOM 0 HG2 LYS A 15 4.487 12.991 -6.593 1.00 45.22 H new ATOM 0 HG3 LYS A 15 3.974 14.073 -7.873 1.00 45.22 H new ATOM 0 HD2 LYS A 15 5.063 15.948 -6.342 1.00 33.51 H new ATOM 0 HD3 LYS A 15 5.909 14.600 -5.609 1.00 33.51 H new ATOM 0 HE2 LYS A 15 7.295 15.590 -7.353 1.00 32.24 H new ATOM 0 HE3 LYS A 15 6.841 13.961 -7.812 1.00 32.24 H new ATOM 0 HZ1 LYS A 15 6.692 15.778 -9.551 1.00 13.33 H new ATOM 0 HZ2 LYS A 15 5.365 14.728 -9.406 1.00 13.33 H new ATOM 0 HZ3 LYS A 15 5.287 16.291 -8.747 1.00 13.33 H new ATOM 250 N ASP A 16 0.849 15.209 -4.307 1.00 14.41 N ATOM 251 CA ASP A 16 -0.440 15.517 -3.721 1.00 63.23 C ATOM 252 C ASP A 16 -1.405 15.362 -4.900 1.00 22.31 C ATOM 253 O ASP A 16 -1.740 16.347 -5.570 1.00 11.35 O ATOM 254 CB ASP A 16 -0.530 16.924 -3.106 1.00 13.31 C ATOM 255 CG ASP A 16 -0.189 17.042 -1.619 1.00 41.13 C ATOM 256 OD1 ASP A 16 -0.097 16.033 -0.876 1.00 14.24 O ATOM 257 OD2 ASP A 16 -0.030 18.195 -1.146 1.00 50.01 O ATOM 0 H ASP A 16 0.735 14.878 -5.265 1.00 14.41 H new ATOM 0 HA ASP A 16 -0.659 14.862 -2.877 1.00 63.23 H new ATOM 0 HB2 ASP A 16 0.137 17.583 -3.662 1.00 13.31 H new ATOM 0 HB3 ASP A 16 -1.543 17.297 -3.254 1.00 13.31 H new ATOM 262 N GLU A 17 -1.759 14.129 -5.263 1.00 21.42 N ATOM 263 CA GLU A 17 -2.739 13.848 -6.284 1.00 21.50 C ATOM 264 C GLU A 17 -3.677 12.749 -5.798 1.00 51.13 C ATOM 265 O GLU A 17 -4.890 12.918 -5.880 1.00 72.10 O ATOM 266 CB GLU A 17 -1.990 13.525 -7.580 1.00 60.32 C ATOM 267 CG GLU A 17 -2.816 12.638 -8.502 1.00 11.13 C ATOM 268 CD GLU A 17 -2.159 12.384 -9.860 1.00 1.04 C ATOM 269 OE1 GLU A 17 -1.733 13.350 -10.537 1.00 51.10 O ATOM 270 OE2 GLU A 17 -2.089 11.201 -10.263 1.00 63.12 O ATOM 0 H GLU A 17 -1.359 13.291 -4.842 1.00 21.42 H new ATOM 0 HA GLU A 17 -3.381 14.704 -6.493 1.00 21.50 H new ATOM 0 HB2 GLU A 17 -1.739 14.452 -8.096 1.00 60.32 H new ATOM 0 HB3 GLU A 17 -1.050 13.027 -7.343 1.00 60.32 H new ATOM 0 HG2 GLU A 17 -2.993 11.682 -8.009 1.00 11.13 H new ATOM 0 HG3 GLU A 17 -3.790 13.101 -8.660 1.00 11.13 H new ATOM 277 N LEU A 18 -3.153 11.614 -5.324 1.00 52.22 N ATOM 278 CA LEU A 18 -4.014 10.653 -4.657 1.00 14.54 C ATOM 279 C LEU A 18 -4.330 11.172 -3.282 1.00 21.03 C ATOM 280 O LEU A 18 -3.623 11.991 -2.690 1.00 3.11 O ATOM 281 CB LEU A 18 -3.394 9.266 -4.538 1.00 64.34 C ATOM 282 CG LEU A 18 -3.719 8.437 -5.786 1.00 31.13 C ATOM 283 CD1 LEU A 18 -2.496 7.680 -6.215 1.00 52.34 C ATOM 284 CD2 LEU A 18 -4.916 7.504 -5.629 1.00 11.53 C ATOM 0 H LEU A 18 -2.170 11.350 -5.389 1.00 52.22 H new ATOM 0 HA LEU A 18 -4.912 10.543 -5.264 1.00 14.54 H new ATOM 0 HB2 LEU A 18 -2.314 9.351 -4.419 1.00 64.34 H new ATOM 0 HB3 LEU A 18 -3.774 8.764 -3.649 1.00 64.34 H new ATOM 0 HG LEU A 18 -4.017 9.143 -6.561 1.00 31.13 H new ATOM 0 HD11 LEU A 18 -2.726 7.090 -7.102 1.00 52.34 H new ATOM 0 HD12 LEU A 18 -1.695 8.383 -6.444 1.00 52.34 H new ATOM 0 HD13 LEU A 18 -2.178 7.017 -5.411 1.00 52.34 H new ATOM 0 HD21 LEU A 18 -5.075 6.957 -6.558 1.00 11.53 H new ATOM 0 HD22 LEU A 18 -4.724 6.799 -4.820 1.00 11.53 H new ATOM 0 HD23 LEU A 18 -5.806 8.089 -5.396 1.00 11.53 H new ATOM 296 N SER A 19 -5.381 10.590 -2.745 1.00 75.41 N ATOM 297 CA SER A 19 -6.109 11.201 -1.653 1.00 4.04 C ATOM 298 C SER A 19 -5.936 10.371 -0.382 1.00 22.24 C ATOM 299 O SER A 19 -4.918 9.690 -0.215 1.00 32.44 O ATOM 300 CB SER A 19 -7.549 11.487 -2.104 1.00 10.03 C ATOM 301 OG SER A 19 -8.070 12.637 -1.470 1.00 55.24 O ATOM 0 H SER A 19 -5.752 9.690 -3.049 1.00 75.41 H new ATOM 0 HA SER A 19 -5.706 12.177 -1.382 1.00 4.04 H new ATOM 0 HB2 SER A 19 -7.573 11.624 -3.185 1.00 10.03 H new ATOM 0 HB3 SER A 19 -8.180 10.628 -1.877 1.00 10.03 H new ATOM 0 HG SER A 19 -8.987 12.794 -1.779 1.00 55.24 H new ATOM 307 N ASP A 20 -6.886 10.459 0.547 1.00 43.00 N ATOM 308 CA ASP A 20 -6.981 9.572 1.702 1.00 44.54 C ATOM 309 C ASP A 20 -7.362 8.174 1.215 1.00 3.35 C ATOM 310 O ASP A 20 -6.477 7.355 0.956 1.00 31.14 O ATOM 311 CB ASP A 20 -7.911 10.122 2.800 1.00 0.12 C ATOM 312 CG ASP A 20 -9.136 10.875 2.280 1.00 43.14 C ATOM 313 OD1 ASP A 20 -9.862 10.353 1.407 1.00 2.23 O ATOM 314 OD2 ASP A 20 -9.289 12.060 2.648 1.00 71.45 O ATOM 0 H ASP A 20 -7.624 11.162 0.516 1.00 43.00 H new ATOM 0 HA ASP A 20 -6.009 9.510 2.192 1.00 44.54 H new ATOM 0 HB2 ASP A 20 -8.248 9.292 3.421 1.00 0.12 H new ATOM 0 HB3 ASP A 20 -7.337 10.789 3.443 1.00 0.12 H new ATOM 319 N ALA A 21 -8.656 7.919 1.039 1.00 54.11 N ATOM 320 CA ALA A 21 -9.211 6.647 0.620 1.00 73.15 C ATOM 321 C ALA A 21 -8.754 6.285 -0.791 1.00 20.11 C ATOM 322 O ALA A 21 -8.527 5.115 -1.059 1.00 61.14 O ATOM 323 CB ALA A 21 -10.736 6.735 0.687 1.00 34.32 C ATOM 0 H ALA A 21 -9.373 8.628 1.193 1.00 54.11 H new ATOM 0 HA ALA A 21 -8.856 5.861 1.286 1.00 73.15 H new ATOM 0 HB1 ALA A 21 -11.169 5.785 0.374 1.00 34.32 H new ATOM 0 HB2 ALA A 21 -11.043 6.955 1.709 1.00 34.32 H new ATOM 0 HB3 ALA A 21 -11.084 7.528 0.025 1.00 34.32 H new ATOM 329 N GLU A 22 -8.569 7.276 -1.670 1.00 31.31 N ATOM 330 CA GLU A 22 -8.204 7.029 -3.065 1.00 13.41 C ATOM 331 C GLU A 22 -6.818 6.381 -3.118 1.00 60.15 C ATOM 332 O GLU A 22 -6.611 5.425 -3.860 1.00 44.51 O ATOM 333 CB GLU A 22 -8.226 8.324 -3.880 1.00 21.52 C ATOM 334 CG GLU A 22 -9.619 8.957 -3.941 1.00 71.33 C ATOM 335 CD GLU A 22 -10.419 8.593 -5.192 1.00 74.42 C ATOM 336 OE1 GLU A 22 -10.722 7.388 -5.381 1.00 4.24 O ATOM 337 OE2 GLU A 22 -10.775 9.524 -5.946 1.00 34.45 O ATOM 0 H GLU A 22 -8.668 8.264 -1.435 1.00 31.31 H new ATOM 0 HA GLU A 22 -8.937 6.353 -3.506 1.00 13.41 H new ATOM 0 HB2 GLU A 22 -7.526 9.036 -3.443 1.00 21.52 H new ATOM 0 HB3 GLU A 22 -7.880 8.118 -4.893 1.00 21.52 H new ATOM 0 HG2 GLU A 22 -10.184 8.651 -3.060 1.00 71.33 H new ATOM 0 HG3 GLU A 22 -9.516 10.041 -3.892 1.00 71.33 H new ATOM 344 N ALA A 23 -5.860 6.886 -2.319 1.00 35.42 N ATOM 345 CA ALA A 23 -4.525 6.296 -2.281 1.00 41.01 C ATOM 346 C ALA A 23 -4.620 4.862 -1.734 1.00 32.02 C ATOM 347 O ALA A 23 -3.918 3.961 -2.188 1.00 74.41 O ATOM 348 CB ALA A 23 -3.595 7.085 -1.354 1.00 60.42 C ATOM 0 H ALA A 23 -5.989 7.689 -1.703 1.00 35.42 H new ATOM 0 HA ALA A 23 -4.125 6.311 -3.295 1.00 41.01 H new ATOM 0 HB1 ALA A 23 -2.609 6.621 -1.347 1.00 60.42 H new ATOM 0 HB2 ALA A 23 -3.511 8.111 -1.711 1.00 60.42 H new ATOM 0 HB3 ALA A 23 -4.003 7.085 -0.343 1.00 60.42 H new ATOM 354 N ASN A 24 -5.471 4.697 -0.712 1.00 12.01 N ATOM 355 CA ASN A 24 -5.715 3.462 0.025 1.00 1.30 C ATOM 356 C ASN A 24 -6.229 2.386 -0.927 1.00 11.23 C ATOM 357 O ASN A 24 -5.740 1.257 -0.906 1.00 61.12 O ATOM 358 CB ASN A 24 -6.716 3.735 1.176 1.00 43.31 C ATOM 359 CG ASN A 24 -6.384 3.034 2.486 1.00 44.44 C ATOM 360 OD1 ASN A 24 -5.557 2.138 2.550 1.00 3.52 O ATOM 361 ND2 ASN A 24 -6.955 3.485 3.594 1.00 31.31 N ATOM 0 H ASN A 24 -6.037 5.470 -0.362 1.00 12.01 H new ATOM 0 HA ASN A 24 -4.786 3.100 0.465 1.00 1.30 H new ATOM 0 HB2 ASN A 24 -6.759 4.809 1.355 1.00 43.31 H new ATOM 0 HB3 ASN A 24 -7.711 3.425 0.856 1.00 43.31 H new ATOM 0 HD21 ASN A 24 -6.703 3.084 4.497 1.00 31.31 H new ATOM 0 HD22 ASN A 24 -7.646 4.233 3.543 1.00 31.31 H new ATOM 368 N ALA A 25 -7.162 2.760 -1.808 1.00 42.12 N ATOM 369 CA ALA A 25 -7.765 1.882 -2.792 1.00 41.40 C ATOM 370 C ALA A 25 -6.706 1.179 -3.632 1.00 64.44 C ATOM 371 O ALA A 25 -6.848 -0.024 -3.851 1.00 63.43 O ATOM 372 CB ALA A 25 -8.741 2.658 -3.681 1.00 22.41 C ATOM 0 H ALA A 25 -7.523 3.713 -1.850 1.00 42.12 H new ATOM 0 HA ALA A 25 -8.324 1.114 -2.257 1.00 41.40 H new ATOM 0 HB1 ALA A 25 -9.183 1.982 -4.413 1.00 22.41 H new ATOM 0 HB2 ALA A 25 -9.529 3.091 -3.065 1.00 22.41 H new ATOM 0 HB3 ALA A 25 -8.207 3.454 -4.199 1.00 22.41 H new ATOM 378 N LEU A 26 -5.631 1.867 -4.059 1.00 23.43 N ATOM 379 CA LEU A 26 -4.593 1.242 -4.869 1.00 3.44 C ATOM 380 C LEU A 26 -3.909 0.075 -4.152 1.00 54.41 C ATOM 381 O LEU A 26 -3.474 -0.865 -4.824 1.00 32.23 O ATOM 382 CB LEU A 26 -3.535 2.261 -5.301 1.00 73.44 C ATOM 383 CG LEU A 26 -3.967 3.383 -6.262 1.00 45.02 C ATOM 384 CD1 LEU A 26 -2.695 4.125 -6.692 1.00 70.34 C ATOM 385 CD2 LEU A 26 -4.700 2.857 -7.503 1.00 13.23 C ATOM 0 H LEU A 26 -5.467 2.852 -3.852 1.00 23.43 H new ATOM 0 HA LEU A 26 -5.099 0.847 -5.750 1.00 3.44 H new ATOM 0 HB2 LEU A 26 -3.133 2.727 -4.402 1.00 73.44 H new ATOM 0 HB3 LEU A 26 -2.717 1.715 -5.770 1.00 73.44 H new ATOM 0 HG LEU A 26 -4.670 4.037 -5.745 1.00 45.02 H new ATOM 0 HD11 LEU A 26 -2.958 4.931 -7.377 1.00 70.34 H new ATOM 0 HD12 LEU A 26 -2.202 4.541 -5.813 1.00 70.34 H new ATOM 0 HD13 LEU A 26 -2.020 3.430 -7.192 1.00 70.34 H new ATOM 0 HD21 LEU A 26 -4.980 3.694 -8.143 1.00 13.23 H new ATOM 0 HD22 LEU A 26 -4.045 2.182 -8.054 1.00 13.23 H new ATOM 0 HD23 LEU A 26 -5.597 2.320 -7.195 1.00 13.23 H new ATOM 397 N VAL A 27 -3.830 0.088 -2.821 1.00 53.41 N ATOM 398 CA VAL A 27 -3.366 -1.061 -2.056 1.00 22.11 C ATOM 399 C VAL A 27 -4.412 -2.176 -2.175 1.00 22.11 C ATOM 400 O VAL A 27 -4.089 -3.308 -2.535 1.00 73.21 O ATOM 401 CB VAL A 27 -3.121 -0.663 -0.584 1.00 41.42 C ATOM 402 CG1 VAL A 27 -2.340 -1.765 0.145 1.00 34.20 C ATOM 403 CG2 VAL A 27 -2.339 0.651 -0.432 1.00 64.35 C ATOM 0 H VAL A 27 -4.085 0.893 -2.249 1.00 53.41 H new ATOM 0 HA VAL A 27 -2.416 -1.421 -2.451 1.00 22.11 H new ATOM 0 HB VAL A 27 -4.110 -0.524 -0.147 1.00 41.42 H new ATOM 0 HG11 VAL A 27 -2.175 -1.470 1.181 1.00 34.20 H new ATOM 0 HG12 VAL A 27 -2.910 -2.693 0.119 1.00 34.20 H new ATOM 0 HG13 VAL A 27 -1.379 -1.916 -0.346 1.00 34.20 H new ATOM 0 HG21 VAL A 27 -2.201 0.872 0.626 1.00 64.35 H new ATOM 0 HG22 VAL A 27 -1.365 0.552 -0.912 1.00 64.35 H new ATOM 0 HG23 VAL A 27 -2.895 1.462 -0.903 1.00 64.35 H new ATOM 413 N TRP A 28 -5.672 -1.856 -1.884 1.00 3.20 N ATOM 414 CA TRP A 28 -6.768 -2.807 -1.776 1.00 15.12 C ATOM 415 C TRP A 28 -7.002 -3.558 -3.091 1.00 3.33 C ATOM 416 O TRP A 28 -7.185 -4.778 -3.088 1.00 4.12 O ATOM 417 CB TRP A 28 -8.023 -2.048 -1.331 1.00 0.44 C ATOM 418 CG TRP A 28 -7.905 -1.170 -0.117 1.00 12.12 C ATOM 419 CD1 TRP A 28 -6.924 -1.204 0.818 1.00 42.03 C ATOM 420 CD2 TRP A 28 -8.838 -0.141 0.331 1.00 54.22 C ATOM 421 NE1 TRP A 28 -7.195 -0.297 1.818 1.00 11.42 N ATOM 422 CE2 TRP A 28 -8.388 0.347 1.591 1.00 64.12 C ATOM 423 CE3 TRP A 28 -10.059 0.378 -0.156 1.00 23.34 C ATOM 424 CZ2 TRP A 28 -9.165 1.195 2.384 1.00 50.55 C ATOM 425 CZ3 TRP A 28 -10.805 1.306 0.597 1.00 65.23 C ATOM 426 CH2 TRP A 28 -10.371 1.701 1.874 1.00 15.20 C ATOM 0 H TRP A 28 -5.964 -0.894 -1.712 1.00 3.20 H new ATOM 0 HA TRP A 28 -6.516 -3.566 -1.036 1.00 15.12 H new ATOM 0 HB2 TRP A 28 -8.355 -1.428 -2.164 1.00 0.44 H new ATOM 0 HB3 TRP A 28 -8.810 -2.779 -1.143 1.00 0.44 H new ATOM 0 HD1 TRP A 28 -6.057 -1.848 0.784 1.00 42.03 H new ATOM 0 HE1 TRP A 28 -6.590 -0.126 2.621 1.00 11.42 H new ATOM 0 HE3 TRP A 28 -10.426 0.058 -1.120 1.00 23.34 H new ATOM 0 HZ2 TRP A 28 -8.841 1.459 3.380 1.00 50.55 H new ATOM 0 HZ3 TRP A 28 -11.717 1.717 0.190 1.00 65.23 H new ATOM 0 HH2 TRP A 28 -10.962 2.390 2.460 1.00 15.20 H new ATOM 437 N GLN A 29 -6.958 -2.854 -4.221 1.00 44.14 N ATOM 438 CA GLN A 29 -7.095 -3.456 -5.542 1.00 2.20 C ATOM 439 C GLN A 29 -5.907 -4.362 -5.877 1.00 22.42 C ATOM 440 O GLN A 29 -6.099 -5.454 -6.404 1.00 75.25 O ATOM 441 CB GLN A 29 -7.321 -2.361 -6.590 1.00 14.01 C ATOM 442 CG GLN A 29 -6.237 -1.316 -6.768 1.00 50.11 C ATOM 443 CD GLN A 29 -6.818 -0.047 -7.388 1.00 25.02 C ATOM 444 OE1 GLN A 29 -7.226 0.881 -6.699 1.00 71.41 O ATOM 445 NE2 GLN A 29 -6.860 0.047 -8.699 1.00 65.14 N ATOM 0 H GLN A 29 -6.825 -1.843 -4.243 1.00 44.14 H new ATOM 0 HA GLN A 29 -7.971 -4.105 -5.546 1.00 2.20 H new ATOM 0 HB2 GLN A 29 -7.479 -2.847 -7.553 1.00 14.01 H new ATOM 0 HB3 GLN A 29 -8.247 -1.843 -6.339 1.00 14.01 H new ATOM 0 HG2 GLN A 29 -5.785 -1.083 -5.804 1.00 50.11 H new ATOM 0 HG3 GLN A 29 -5.445 -1.710 -7.405 1.00 50.11 H new ATOM 0 HE21 GLN A 29 -6.522 -0.723 -9.277 1.00 65.14 H new ATOM 0 HE22 GLN A 29 -7.231 0.890 -9.138 1.00 65.14 H new ATOM 454 N ALA A 30 -4.683 -3.935 -5.550 1.00 53.30 N ATOM 455 CA ALA A 30 -3.468 -4.727 -5.755 1.00 35.42 C ATOM 456 C ALA A 30 -3.477 -6.032 -4.953 1.00 61.14 C ATOM 457 O ALA A 30 -2.909 -7.028 -5.405 1.00 74.54 O ATOM 458 CB ALA A 30 -2.236 -3.898 -5.384 1.00 55.02 C ATOM 0 H ALA A 30 -4.507 -3.021 -5.132 1.00 53.30 H new ATOM 0 HA ALA A 30 -3.433 -4.995 -6.811 1.00 35.42 H new ATOM 0 HB1 ALA A 30 -1.336 -4.494 -5.539 1.00 55.02 H new ATOM 0 HB2 ALA A 30 -2.194 -3.008 -6.011 1.00 55.02 H new ATOM 0 HB3 ALA A 30 -2.299 -3.601 -4.337 1.00 55.02 H new ATOM 464 N LEU A 31 -4.092 -6.037 -3.769 1.00 70.11 N ATOM 465 CA LEU A 31 -4.381 -7.263 -3.031 1.00 60.34 C ATOM 466 C LEU A 31 -5.407 -8.070 -3.828 1.00 64.21 C ATOM 467 O LEU A 31 -5.141 -9.212 -4.201 1.00 71.10 O ATOM 468 CB LEU A 31 -4.921 -6.938 -1.634 1.00 31.23 C ATOM 469 CG LEU A 31 -3.935 -6.223 -0.699 1.00 45.24 C ATOM 470 CD1 LEU A 31 -4.693 -5.587 0.471 1.00 3.53 C ATOM 471 CD2 LEU A 31 -2.863 -7.185 -0.183 1.00 25.14 C ATOM 0 H LEU A 31 -4.403 -5.189 -3.296 1.00 70.11 H new ATOM 0 HA LEU A 31 -3.467 -7.843 -2.904 1.00 60.34 H new ATOM 0 HB2 LEU A 31 -5.810 -6.316 -1.742 1.00 31.23 H new ATOM 0 HB3 LEU A 31 -5.237 -7.867 -1.160 1.00 31.23 H new ATOM 0 HG LEU A 31 -3.432 -5.440 -1.266 1.00 45.24 H new ATOM 0 HD11 LEU A 31 -3.987 -5.082 1.130 1.00 3.53 H new ATOM 0 HD12 LEU A 31 -5.413 -4.864 0.088 1.00 3.53 H new ATOM 0 HD13 LEU A 31 -5.219 -6.362 1.028 1.00 3.53 H new ATOM 0 HD21 LEU A 31 -2.180 -6.649 0.476 1.00 25.14 H new ATOM 0 HD22 LEU A 31 -3.338 -7.997 0.368 1.00 25.14 H new ATOM 0 HD23 LEU A 31 -2.307 -7.596 -1.026 1.00 25.14 H new ATOM 483 N GLY A 32 -6.550 -7.453 -4.136 1.00 13.04 N ATOM 484 CA GLY A 32 -7.616 -8.032 -4.944 1.00 4.33 C ATOM 485 C GLY A 32 -8.988 -7.911 -4.288 1.00 15.23 C ATOM 486 O GLY A 32 -9.818 -8.789 -4.510 1.00 25.10 O ATOM 0 H GLY A 32 -6.762 -6.507 -3.818 1.00 13.04 H new ATOM 0 HA2 GLY A 32 -7.638 -7.538 -5.916 1.00 4.33 H new ATOM 0 HA3 GLY A 32 -7.397 -9.084 -5.126 1.00 4.33 H new ATOM 490 N TYR A 33 -9.227 -6.889 -3.452 1.00 3.13 N ATOM 491 CA TYR A 33 -10.468 -6.788 -2.681 1.00 51.51 C ATOM 492 C TYR A 33 -11.678 -6.479 -3.565 1.00 33.42 C ATOM 493 O TYR A 33 -12.720 -7.058 -3.327 1.00 42.05 O ATOM 494 CB TYR A 33 -10.362 -5.764 -1.537 1.00 4.51 C ATOM 495 CG TYR A 33 -9.734 -6.300 -0.258 1.00 3.22 C ATOM 496 CD1 TYR A 33 -8.382 -6.686 -0.252 1.00 73.44 C ATOM 497 CD2 TYR A 33 -10.493 -6.421 0.927 1.00 4.24 C ATOM 498 CE1 TYR A 33 -7.786 -7.179 0.920 1.00 5.21 C ATOM 499 CE2 TYR A 33 -9.900 -6.901 2.112 1.00 64.31 C ATOM 500 CZ TYR A 33 -8.537 -7.275 2.111 1.00 61.22 C ATOM 501 OH TYR A 33 -7.918 -7.672 3.254 1.00 51.02 O ATOM 0 H TYR A 33 -8.574 -6.121 -3.295 1.00 3.13 H new ATOM 0 HA TYR A 33 -10.622 -7.771 -2.237 1.00 51.51 H new ATOM 0 HB2 TYR A 33 -9.777 -4.912 -1.883 1.00 4.51 H new ATOM 0 HB3 TYR A 33 -11.360 -5.392 -1.307 1.00 4.51 H new ATOM 0 HD1 TYR A 33 -7.797 -6.603 -1.156 1.00 73.44 H new ATOM 0 HD2 TYR A 33 -11.537 -6.143 0.925 1.00 4.24 H new ATOM 0 HE1 TYR A 33 -6.750 -7.485 0.910 1.00 5.21 H new ATOM 0 HE2 TYR A 33 -10.484 -6.983 3.017 1.00 64.31 H new ATOM 0 HH TYR A 33 -7.822 -8.647 3.252 1.00 51.02 H new ATOM 511 N VAL A 34 -11.586 -5.571 -4.541 1.00 22.24 N ATOM 512 CA VAL A 34 -12.608 -5.264 -5.546 1.00 33.45 C ATOM 513 C VAL A 34 -14.041 -5.163 -4.992 1.00 43.54 C ATOM 514 O VAL A 34 -14.766 -6.151 -4.883 1.00 34.41 O ATOM 515 CB VAL A 34 -12.431 -6.060 -6.855 1.00 55.43 C ATOM 516 CG1 VAL A 34 -12.272 -7.572 -6.693 1.00 65.34 C ATOM 517 CG2 VAL A 34 -13.579 -5.751 -7.822 1.00 1.13 C ATOM 0 H VAL A 34 -10.750 -4.999 -4.657 1.00 22.24 H new ATOM 0 HA VAL A 34 -12.423 -4.235 -5.853 1.00 33.45 H new ATOM 0 HB VAL A 34 -11.478 -5.720 -7.261 1.00 55.43 H new ATOM 0 HG11 VAL A 34 -12.155 -8.033 -7.674 1.00 65.34 H new ATOM 0 HG12 VAL A 34 -11.392 -7.782 -6.086 1.00 65.34 H new ATOM 0 HG13 VAL A 34 -13.156 -7.980 -6.204 1.00 65.34 H new ATOM 0 HG21 VAL A 34 -13.442 -6.319 -8.742 1.00 1.13 H new ATOM 0 HG22 VAL A 34 -14.527 -6.028 -7.362 1.00 1.13 H new ATOM 0 HG23 VAL A 34 -13.585 -4.685 -8.051 1.00 1.13 H new ATOM 527 N TRP A 35 -14.453 -3.933 -4.680 1.00 50.50 N ATOM 528 CA TRP A 35 -15.820 -3.591 -4.324 1.00 4.31 C ATOM 529 C TRP A 35 -16.798 -4.169 -5.337 1.00 2.30 C ATOM 530 O TRP A 35 -16.727 -3.855 -6.529 1.00 0.50 O ATOM 531 CB TRP A 35 -15.978 -2.075 -4.245 1.00 0.34 C ATOM 532 CG TRP A 35 -17.364 -1.626 -3.914 1.00 15.43 C ATOM 533 CD1 TRP A 35 -18.233 -1.083 -4.790 1.00 64.11 C ATOM 534 CD2 TRP A 35 -18.098 -1.769 -2.666 1.00 34.41 C ATOM 535 NE1 TRP A 35 -19.428 -0.817 -4.158 1.00 12.20 N ATOM 536 CE2 TRP A 35 -19.412 -1.243 -2.849 1.00 4.25 C ATOM 537 CE3 TRP A 35 -17.780 -2.300 -1.400 1.00 21.43 C ATOM 538 CZ2 TRP A 35 -20.367 -1.256 -1.823 1.00 53.34 C ATOM 539 CZ3 TRP A 35 -18.718 -2.291 -0.354 1.00 45.53 C ATOM 540 CH2 TRP A 35 -20.009 -1.779 -0.571 1.00 13.21 C ATOM 0 H TRP A 35 -13.824 -3.130 -4.669 1.00 50.50 H new ATOM 0 HA TRP A 35 -16.041 -4.021 -3.347 1.00 4.31 H new ATOM 0 HB2 TRP A 35 -15.292 -1.687 -3.492 1.00 0.34 H new ATOM 0 HB3 TRP A 35 -15.684 -1.639 -5.200 1.00 0.34 H new ATOM 0 HD1 TRP A 35 -18.024 -0.886 -5.831 1.00 64.11 H new ATOM 0 HE1 TRP A 35 -20.224 -0.362 -4.604 1.00 12.20 H new ATOM 0 HE3 TRP A 35 -16.800 -2.721 -1.231 1.00 21.43 H new ATOM 0 HZ2 TRP A 35 -21.361 -0.870 -1.993 1.00 53.34 H new ATOM 0 HZ3 TRP A 35 -18.447 -2.678 0.617 1.00 45.53 H new ATOM 0 HH2 TRP A 35 -20.731 -1.788 0.232 1.00 13.21 H new ATOM 551 N ASP A 36 -17.714 -4.993 -4.855 1.00 73.35 N ATOM 552 CA ASP A 36 -18.677 -5.709 -5.666 1.00 25.44 C ATOM 553 C ASP A 36 -19.988 -4.979 -5.494 1.00 34.43 C ATOM 554 O ASP A 36 -20.783 -5.269 -4.603 1.00 24.12 O ATOM 555 CB ASP A 36 -18.741 -7.183 -5.255 1.00 1.14 C ATOM 556 CG ASP A 36 -18.834 -8.093 -6.465 1.00 22.41 C ATOM 557 OD1 ASP A 36 -17.982 -7.981 -7.378 1.00 14.04 O ATOM 558 OD2 ASP A 36 -19.787 -8.901 -6.520 1.00 43.22 O ATOM 0 H ASP A 36 -17.808 -5.186 -3.858 1.00 73.35 H new ATOM 0 HA ASP A 36 -18.403 -5.726 -6.721 1.00 25.44 H new ATOM 0 HB2 ASP A 36 -17.855 -7.439 -4.673 1.00 1.14 H new ATOM 0 HB3 ASP A 36 -19.604 -7.345 -4.609 1.00 1.14 H new ATOM 563 N GLU A 37 -20.178 -3.943 -6.295 1.00 55.33 N ATOM 564 CA GLU A 37 -21.184 -2.923 -6.050 1.00 13.15 C ATOM 565 C GLU A 37 -22.600 -3.501 -6.016 1.00 24.35 C ATOM 566 O GLU A 37 -23.440 -3.044 -5.236 1.00 52.12 O ATOM 567 CB GLU A 37 -21.001 -1.827 -7.109 1.00 54.13 C ATOM 568 CG GLU A 37 -21.870 -0.600 -6.827 1.00 13.24 C ATOM 569 CD GLU A 37 -21.370 0.625 -7.590 1.00 55.24 C ATOM 570 OE1 GLU A 37 -21.378 0.638 -8.840 1.00 74.13 O ATOM 571 OE2 GLU A 37 -20.926 1.599 -6.936 1.00 65.13 O ATOM 0 H GLU A 37 -19.632 -3.785 -7.142 1.00 55.33 H new ATOM 0 HA GLU A 37 -21.049 -2.490 -5.059 1.00 13.15 H new ATOM 0 HB2 GLU A 37 -19.953 -1.528 -7.143 1.00 54.13 H new ATOM 0 HB3 GLU A 37 -21.250 -2.228 -8.091 1.00 54.13 H new ATOM 0 HG2 GLU A 37 -22.902 -0.810 -7.109 1.00 13.24 H new ATOM 0 HG3 GLU A 37 -21.869 -0.390 -5.757 1.00 13.24 H new ATOM 578 N ALA A 38 -22.826 -4.555 -6.799 1.00 31.33 N ATOM 579 CA ALA A 38 -24.110 -5.234 -6.890 1.00 0.25 C ATOM 580 C ALA A 38 -24.398 -6.058 -5.635 1.00 64.23 C ATOM 581 O ALA A 38 -25.558 -6.260 -5.297 1.00 3.12 O ATOM 582 CB ALA A 38 -24.127 -6.156 -8.109 1.00 53.32 C ATOM 0 H ALA A 38 -22.108 -4.965 -7.396 1.00 31.33 H new ATOM 0 HA ALA A 38 -24.882 -4.470 -6.987 1.00 0.25 H new ATOM 0 HB1 ALA A 38 -25.091 -6.661 -8.170 1.00 53.32 H new ATOM 0 HB2 ALA A 38 -23.967 -5.568 -9.013 1.00 53.32 H new ATOM 0 HB3 ALA A 38 -23.334 -6.898 -8.015 1.00 53.32 H new ATOM 588 N GLN A 39 -23.369 -6.535 -4.932 1.00 12.34 N ATOM 589 CA GLN A 39 -23.536 -7.250 -3.669 1.00 31.02 C ATOM 590 C GLN A 39 -23.306 -6.309 -2.483 1.00 72.31 C ATOM 591 O GLN A 39 -23.553 -6.684 -1.334 1.00 52.44 O ATOM 592 CB GLN A 39 -22.610 -8.468 -3.652 1.00 1.45 C ATOM 593 CG GLN A 39 -22.993 -9.405 -4.801 1.00 23.12 C ATOM 594 CD GLN A 39 -22.368 -10.789 -4.699 1.00 60.41 C ATOM 595 OE1 GLN A 39 -22.427 -11.441 -3.655 1.00 41.24 O ATOM 596 NE2 GLN A 39 -21.799 -11.268 -5.790 1.00 73.01 N ATOM 0 H GLN A 39 -22.397 -6.436 -5.224 1.00 12.34 H new ATOM 0 HA GLN A 39 -24.560 -7.612 -3.576 1.00 31.02 H new ATOM 0 HB2 GLN A 39 -21.572 -8.152 -3.754 1.00 1.45 H new ATOM 0 HB3 GLN A 39 -22.692 -8.989 -2.698 1.00 1.45 H new ATOM 0 HG2 GLN A 39 -24.078 -9.507 -4.828 1.00 23.12 H new ATOM 0 HG3 GLN A 39 -22.693 -8.949 -5.745 1.00 23.12 H new ATOM 0 HE21 GLN A 39 -21.767 -10.703 -6.638 1.00 73.01 H new ATOM 0 HE22 GLN A 39 -21.392 -12.203 -5.784 1.00 73.01 H new ATOM 605 N SER A 40 -22.877 -5.077 -2.775 1.00 22.12 N ATOM 606 CA SER A 40 -22.528 -4.015 -1.854 1.00 42.35 C ATOM 607 C SER A 40 -21.642 -4.526 -0.717 1.00 64.54 C ATOM 608 O SER A 40 -21.844 -4.181 0.453 1.00 24.10 O ATOM 609 CB SER A 40 -23.791 -3.279 -1.408 1.00 72.30 C ATOM 610 OG SER A 40 -24.559 -2.874 -2.538 1.00 24.12 O ATOM 0 H SER A 40 -22.759 -4.783 -3.744 1.00 22.12 H new ATOM 0 HA SER A 40 -21.910 -3.273 -2.360 1.00 42.35 H new ATOM 0 HB2 SER A 40 -24.389 -3.927 -0.768 1.00 72.30 H new ATOM 0 HB3 SER A 40 -23.520 -2.406 -0.814 1.00 72.30 H new ATOM 0 HG SER A 40 -24.009 -2.937 -3.347 1.00 24.12 H new ATOM 616 N CYS A 41 -20.659 -5.357 -1.076 1.00 42.23 N ATOM 617 CA CYS A 41 -19.555 -5.722 -0.200 1.00 22.21 C ATOM 618 C CYS A 41 -18.274 -5.869 -1.009 1.00 0.13 C ATOM 619 O CYS A 41 -18.311 -6.040 -2.229 1.00 73.05 O ATOM 620 CB CYS A 41 -19.841 -7.031 0.555 1.00 12.20 C ATOM 621 SG CYS A 41 -21.072 -6.782 1.863 1.00 21.33 S ATOM 0 H CYS A 41 -20.612 -5.797 -1.995 1.00 42.23 H new ATOM 0 HA CYS A 41 -19.438 -4.925 0.534 1.00 22.21 H new ATOM 0 HB2 CYS A 41 -20.199 -7.786 -0.145 1.00 12.20 H new ATOM 0 HB3 CYS A 41 -18.917 -7.412 0.990 1.00 12.20 H new ATOM 0 HG CYS A 41 -21.712 -5.670 1.651 1.00 21.33 H new ATOM 627 N TRP A 42 -17.143 -5.873 -0.306 1.00 32.43 N ATOM 628 CA TRP A 42 -15.848 -6.248 -0.845 1.00 40.45 C ATOM 629 C TRP A 42 -15.880 -7.716 -1.245 1.00 61.22 C ATOM 630 O TRP A 42 -16.703 -8.489 -0.736 1.00 73.23 O ATOM 631 CB TRP A 42 -14.790 -5.989 0.235 1.00 42.11 C ATOM 632 CG TRP A 42 -14.809 -4.572 0.716 1.00 21.14 C ATOM 633 CD1 TRP A 42 -15.387 -4.125 1.855 1.00 1.14 C ATOM 634 CD2 TRP A 42 -14.352 -3.386 0.007 1.00 71.41 C ATOM 635 NE1 TRP A 42 -15.325 -2.746 1.893 1.00 74.34 N ATOM 636 CE2 TRP A 42 -14.684 -2.237 0.782 1.00 52.20 C ATOM 637 CE3 TRP A 42 -13.750 -3.175 -1.251 1.00 41.31 C ATOM 638 CZ2 TRP A 42 -14.389 -0.938 0.344 1.00 60.23 C ATOM 639 CZ3 TRP A 42 -13.470 -1.873 -1.703 1.00 52.55 C ATOM 640 CH2 TRP A 42 -13.788 -0.757 -0.913 1.00 12.01 C ATOM 0 H TRP A 42 -17.107 -5.608 0.678 1.00 32.43 H new ATOM 0 HA TRP A 42 -15.605 -5.662 -1.731 1.00 40.45 H new ATOM 0 HB2 TRP A 42 -14.961 -6.659 1.077 1.00 42.11 H new ATOM 0 HB3 TRP A 42 -13.802 -6.223 -0.163 1.00 42.11 H new ATOM 0 HD1 TRP A 42 -15.829 -4.750 2.617 1.00 1.14 H new ATOM 0 HE1 TRP A 42 -15.705 -2.175 2.648 1.00 74.34 H new ATOM 0 HE3 TRP A 42 -13.502 -4.022 -1.873 1.00 41.31 H new ATOM 0 HZ2 TRP A 42 -14.621 -0.086 0.966 1.00 60.23 H new ATOM 0 HZ3 TRP A 42 -13.006 -1.730 -2.668 1.00 52.55 H new ATOM 0 HH2 TRP A 42 -13.571 0.239 -1.271 1.00 12.01 H new ATOM 651 N LYS A 43 -14.961 -8.129 -2.107 1.00 14.43 N ATOM 652 CA LYS A 43 -14.681 -9.528 -2.349 1.00 45.20 C ATOM 653 C LYS A 43 -13.439 -9.905 -1.585 1.00 35.54 C ATOM 654 O LYS A 43 -12.541 -9.103 -1.343 1.00 72.02 O ATOM 655 CB LYS A 43 -14.526 -9.806 -3.842 1.00 72.41 C ATOM 656 CG LYS A 43 -15.914 -9.631 -4.454 1.00 33.24 C ATOM 657 CD LYS A 43 -16.039 -10.204 -5.851 1.00 74.22 C ATOM 658 CE LYS A 43 -15.275 -9.335 -6.830 1.00 11.41 C ATOM 659 NZ LYS A 43 -15.845 -9.475 -8.183 1.00 11.01 N ATOM 0 H LYS A 43 -14.387 -7.493 -2.660 1.00 14.43 H new ATOM 0 HA LYS A 43 -15.516 -10.137 -2.003 1.00 45.20 H new ATOM 0 HB2 LYS A 43 -13.812 -9.118 -4.294 1.00 72.41 H new ATOM 0 HB3 LYS A 43 -14.149 -10.814 -4.013 1.00 72.41 H new ATOM 0 HG2 LYS A 43 -16.650 -10.109 -3.807 1.00 33.24 H new ATOM 0 HG3 LYS A 43 -16.158 -8.569 -4.483 1.00 33.24 H new ATOM 0 HD2 LYS A 43 -15.650 -11.222 -5.873 1.00 74.22 H new ATOM 0 HD3 LYS A 43 -17.089 -10.258 -6.140 1.00 74.22 H new ATOM 0 HE2 LYS A 43 -15.319 -8.293 -6.514 1.00 11.41 H new ATOM 0 HE3 LYS A 43 -14.223 -9.621 -6.838 1.00 11.41 H new ATOM 0 HZ1 LYS A 43 -15.210 -9.029 -8.875 1.00 11.01 H new ATOM 0 HZ2 LYS A 43 -15.953 -10.484 -8.412 1.00 11.01 H new ATOM 0 HZ3 LYS A 43 -16.775 -9.011 -8.218 1.00 11.01 H new ATOM 673 N THR A 44 -13.350 -11.187 -1.305 1.00 34.02 N ATOM 674 CA THR A 44 -12.151 -11.798 -0.792 1.00 3.02 C ATOM 675 C THR A 44 -11.765 -12.984 -1.683 1.00 55.53 C ATOM 676 O THR A 44 -10.817 -13.698 -1.382 1.00 22.25 O ATOM 677 CB THR A 44 -12.341 -12.072 0.709 1.00 0.11 C ATOM 678 OG1 THR A 44 -13.592 -12.645 1.035 1.00 35.54 O ATOM 679 CG2 THR A 44 -12.221 -10.769 1.519 1.00 5.41 C ATOM 0 H THR A 44 -14.123 -11.841 -1.431 1.00 34.02 H new ATOM 0 HA THR A 44 -11.280 -11.145 -0.840 1.00 3.02 H new ATOM 0 HB THR A 44 -11.556 -12.784 0.961 1.00 0.11 H new ATOM 0 HG1 THR A 44 -13.642 -12.793 2.003 1.00 35.54 H new ATOM 0 HG21 THR A 44 -12.359 -10.985 2.578 1.00 5.41 H new ATOM 0 HG22 THR A 44 -11.234 -10.333 1.363 1.00 5.41 H new ATOM 0 HG23 THR A 44 -12.985 -10.065 1.190 1.00 5.41 H new ATOM 687 N ASP A 45 -12.429 -13.156 -2.835 1.00 55.23 N ATOM 688 CA ASP A 45 -12.246 -14.242 -3.789 1.00 30.41 C ATOM 689 C ASP A 45 -10.814 -14.194 -4.266 1.00 43.52 C ATOM 690 O ASP A 45 -10.103 -15.193 -4.229 1.00 4.25 O ATOM 691 CB ASP A 45 -13.155 -14.067 -5.023 1.00 30.42 C ATOM 692 CG ASP A 45 -14.615 -14.467 -4.829 1.00 4.12 C ATOM 693 OD1 ASP A 45 -15.146 -14.265 -3.720 1.00 23.14 O ATOM 694 OD2 ASP A 45 -15.249 -14.915 -5.818 1.00 73.11 O ATOM 0 H ASP A 45 -13.148 -12.499 -3.137 1.00 55.23 H new ATOM 0 HA ASP A 45 -12.493 -15.185 -3.301 1.00 30.41 H new ATOM 0 HB2 ASP A 45 -13.121 -13.022 -5.332 1.00 30.42 H new ATOM 0 HB3 ASP A 45 -12.742 -14.655 -5.843 1.00 30.42 H new ATOM 699 N LEU A 46 -10.406 -13.011 -4.736 1.00 12.03 N ATOM 700 CA LEU A 46 -9.125 -12.830 -5.381 1.00 73.51 C ATOM 701 C LEU A 46 -8.003 -12.518 -4.388 1.00 63.21 C ATOM 702 O LEU A 46 -6.832 -12.515 -4.778 1.00 13.14 O ATOM 703 CB LEU A 46 -9.229 -11.763 -6.483 1.00 50.44 C ATOM 704 CG LEU A 46 -10.100 -12.192 -7.681 1.00 33.42 C ATOM 705 CD1 LEU A 46 -10.193 -11.054 -8.699 1.00 73.45 C ATOM 706 CD2 LEU A 46 -9.535 -13.427 -8.389 1.00 3.31 C ATOM 0 H LEU A 46 -10.963 -12.159 -4.674 1.00 12.03 H new ATOM 0 HA LEU A 46 -8.854 -13.778 -5.845 1.00 73.51 H new ATOM 0 HB2 LEU A 46 -9.641 -10.850 -6.054 1.00 50.44 H new ATOM 0 HB3 LEU A 46 -8.227 -11.524 -6.840 1.00 50.44 H new ATOM 0 HG LEU A 46 -11.086 -12.436 -7.285 1.00 33.42 H new ATOM 0 HD11 LEU A 46 -10.810 -11.368 -9.541 1.00 73.45 H new ATOM 0 HD12 LEU A 46 -10.641 -10.179 -8.227 1.00 73.45 H new ATOM 0 HD13 LEU A 46 -9.194 -10.802 -9.056 1.00 73.45 H new ATOM 0 HD21 LEU A 46 -10.180 -13.694 -9.226 1.00 3.31 H new ATOM 0 HD22 LEU A 46 -8.533 -13.208 -8.758 1.00 3.31 H new ATOM 0 HD23 LEU A 46 -9.489 -14.260 -7.687 1.00 3.31 H new ATOM 718 N VAL A 47 -8.348 -12.247 -3.132 1.00 13.52 N ATOM 719 CA VAL A 47 -7.408 -11.939 -2.070 1.00 2.45 C ATOM 720 C VAL A 47 -6.767 -13.260 -1.623 1.00 3.23 C ATOM 721 O VAL A 47 -7.394 -14.321 -1.690 1.00 4.40 O ATOM 722 CB VAL A 47 -8.164 -11.200 -0.942 1.00 32.12 C ATOM 723 CG1 VAL A 47 -7.231 -10.798 0.201 1.00 73.15 C ATOM 724 CG2 VAL A 47 -8.837 -9.915 -1.457 1.00 75.40 C ATOM 0 H VAL A 47 -9.319 -12.237 -2.821 1.00 13.52 H new ATOM 0 HA VAL A 47 -6.606 -11.275 -2.393 1.00 2.45 H new ATOM 0 HB VAL A 47 -8.915 -11.903 -0.582 1.00 32.12 H new ATOM 0 HG11 VAL A 47 -7.802 -10.282 0.972 1.00 73.15 H new ATOM 0 HG12 VAL A 47 -6.771 -11.690 0.626 1.00 73.15 H new ATOM 0 HG13 VAL A 47 -6.454 -10.135 -0.180 1.00 73.15 H new ATOM 0 HG21 VAL A 47 -9.358 -9.423 -0.636 1.00 75.40 H new ATOM 0 HG22 VAL A 47 -8.079 -9.243 -1.859 1.00 75.40 H new ATOM 0 HG23 VAL A 47 -9.551 -10.167 -2.241 1.00 75.40 H new ATOM 734 N ALA A 48 -5.509 -13.199 -1.180 1.00 71.01 N ATOM 735 CA ALA A 48 -4.787 -14.349 -0.645 1.00 3.55 C ATOM 736 C ALA A 48 -5.470 -14.869 0.628 1.00 22.21 C ATOM 737 O ALA A 48 -6.143 -14.088 1.306 1.00 72.53 O ATOM 738 CB ALA A 48 -3.352 -13.914 -0.327 1.00 12.01 C ATOM 0 H ALA A 48 -4.960 -12.339 -1.184 1.00 71.01 H new ATOM 0 HA ALA A 48 -4.783 -15.154 -1.380 1.00 3.55 H new ATOM 0 HB1 ALA A 48 -2.796 -14.761 0.075 1.00 12.01 H new ATOM 0 HB2 ALA A 48 -2.868 -13.561 -1.238 1.00 12.01 H new ATOM 0 HB3 ALA A 48 -3.370 -13.110 0.409 1.00 12.01 H new ATOM 744 N PRO A 49 -5.224 -16.127 1.045 1.00 62.23 N ATOM 745 CA PRO A 49 -5.828 -16.682 2.250 1.00 3.24 C ATOM 746 C PRO A 49 -5.466 -15.833 3.465 1.00 22.33 C ATOM 747 O PRO A 49 -6.347 -15.425 4.212 1.00 33.51 O ATOM 748 CB PRO A 49 -5.327 -18.125 2.363 1.00 41.21 C ATOM 749 CG PRO A 49 -4.096 -18.187 1.463 1.00 75.14 C ATOM 750 CD PRO A 49 -4.353 -17.107 0.415 1.00 23.15 C ATOM 0 HA PRO A 49 -6.917 -16.677 2.202 1.00 3.24 H new ATOM 0 HB2 PRO A 49 -5.076 -18.376 3.393 1.00 41.21 H new ATOM 0 HB3 PRO A 49 -6.089 -18.834 2.039 1.00 41.21 H new ATOM 0 HG2 PRO A 49 -3.181 -17.991 2.023 1.00 75.14 H new ATOM 0 HG3 PRO A 49 -3.985 -19.170 1.005 1.00 75.14 H new ATOM 0 HD2 PRO A 49 -3.419 -16.647 0.093 1.00 23.15 H new ATOM 0 HD3 PRO A 49 -4.822 -17.531 -0.473 1.00 23.15 H new ATOM 758 N GLU A 50 -4.186 -15.501 3.626 1.00 62.32 N ATOM 759 CA GLU A 50 -3.701 -14.661 4.710 1.00 21.32 C ATOM 760 C GLU A 50 -4.381 -13.288 4.750 1.00 53.22 C ATOM 761 O GLU A 50 -4.657 -12.786 5.835 1.00 3.31 O ATOM 762 CB GLU A 50 -2.170 -14.557 4.632 1.00 4.44 C ATOM 763 CG GLU A 50 -1.610 -13.999 3.306 1.00 63.35 C ATOM 764 CD GLU A 50 -0.082 -14.091 3.229 1.00 2.32 C ATOM 765 OE1 GLU A 50 0.512 -15.108 3.661 1.00 73.40 O ATOM 766 OE2 GLU A 50 0.557 -13.098 2.816 1.00 12.51 O ATOM 0 H GLU A 50 -3.449 -15.815 2.995 1.00 62.32 H new ATOM 0 HA GLU A 50 -3.970 -15.134 5.654 1.00 21.32 H new ATOM 0 HB2 GLU A 50 -1.824 -13.923 5.448 1.00 4.44 H new ATOM 0 HB3 GLU A 50 -1.747 -15.548 4.797 1.00 4.44 H new ATOM 0 HG2 GLU A 50 -2.046 -14.548 2.472 1.00 63.35 H new ATOM 0 HG3 GLU A 50 -1.914 -12.958 3.196 1.00 63.35 H new ATOM 773 N TRP A 51 -4.686 -12.684 3.598 1.00 32.22 N ATOM 774 CA TRP A 51 -5.271 -11.347 3.530 1.00 31.40 C ATOM 775 C TRP A 51 -6.803 -11.368 3.576 1.00 21.35 C ATOM 776 O TRP A 51 -7.400 -10.296 3.663 1.00 44.41 O ATOM 777 CB TRP A 51 -4.747 -10.612 2.291 1.00 64.24 C ATOM 778 CG TRP A 51 -3.359 -10.068 2.393 1.00 64.21 C ATOM 779 CD1 TRP A 51 -2.264 -10.592 1.810 1.00 63.44 C ATOM 780 CD2 TRP A 51 -2.910 -8.858 3.068 1.00 1.21 C ATOM 781 NE1 TRP A 51 -1.162 -9.823 2.122 1.00 24.12 N ATOM 782 CE2 TRP A 51 -1.506 -8.706 2.862 1.00 25.50 C ATOM 783 CE3 TRP A 51 -3.571 -7.861 3.813 1.00 33.24 C ATOM 784 CZ2 TRP A 51 -0.792 -7.605 3.377 1.00 50.33 C ATOM 785 CZ3 TRP A 51 -2.867 -6.764 4.336 1.00 70.34 C ATOM 786 CH2 TRP A 51 -1.483 -6.633 4.120 1.00 23.01 C ATOM 0 H TRP A 51 -4.533 -13.112 2.685 1.00 32.22 H new ATOM 0 HA TRP A 51 -4.958 -10.801 4.420 1.00 31.40 H new ATOM 0 HB2 TRP A 51 -4.787 -11.296 1.443 1.00 64.24 H new ATOM 0 HB3 TRP A 51 -5.424 -9.787 2.068 1.00 64.24 H new ATOM 0 HD1 TRP A 51 -2.251 -11.478 1.193 1.00 63.44 H new ATOM 0 HE1 TRP A 51 -0.208 -10.051 1.841 1.00 24.12 H new ATOM 0 HE3 TRP A 51 -4.634 -7.942 3.984 1.00 33.24 H new ATOM 0 HZ2 TRP A 51 0.270 -7.510 3.203 1.00 50.33 H new ATOM 0 HZ3 TRP A 51 -3.393 -6.014 4.909 1.00 70.34 H new ATOM 0 HH2 TRP A 51 -0.951 -5.785 4.526 1.00 23.01 H new ATOM 797 N ARG A 52 -7.459 -12.537 3.551 1.00 61.23 N ATOM 798 CA ARG A 52 -8.890 -12.648 3.823 1.00 4.24 C ATOM 799 C ARG A 52 -9.191 -13.406 5.108 1.00 42.51 C ATOM 800 O ARG A 52 -10.361 -13.592 5.430 1.00 42.11 O ATOM 801 CB ARG A 52 -9.600 -13.277 2.629 1.00 33.12 C ATOM 802 CG ARG A 52 -9.385 -14.786 2.431 1.00 22.40 C ATOM 803 CD ARG A 52 -9.952 -15.180 1.066 1.00 72.12 C ATOM 804 NE ARG A 52 -10.151 -16.624 0.907 1.00 21.43 N ATOM 805 CZ ARG A 52 -10.700 -17.196 -0.177 1.00 54.12 C ATOM 806 NH1 ARG A 52 -10.940 -16.490 -1.278 1.00 50.20 N ATOM 807 NH2 ARG A 52 -10.990 -18.489 -0.163 1.00 34.42 N ATOM 0 H ARG A 52 -7.009 -13.428 3.341 1.00 61.23 H new ATOM 0 HA ARG A 52 -9.272 -11.639 3.974 1.00 4.24 H new ATOM 0 HB2 ARG A 52 -10.670 -13.094 2.731 1.00 33.12 H new ATOM 0 HB3 ARG A 52 -9.273 -12.763 1.725 1.00 33.12 H new ATOM 0 HG2 ARG A 52 -8.324 -15.028 2.485 1.00 22.40 H new ATOM 0 HG3 ARG A 52 -9.880 -15.347 3.224 1.00 22.40 H new ATOM 0 HD2 ARG A 52 -10.905 -14.672 0.917 1.00 72.12 H new ATOM 0 HD3 ARG A 52 -9.277 -14.827 0.286 1.00 72.12 H new ATOM 0 HE ARG A 52 -9.853 -17.233 1.669 1.00 21.43 H new ATOM 0 HH11 ARG A 52 -10.707 -15.498 -1.308 1.00 50.20 H new ATOM 0 HH12 ARG A 52 -11.358 -16.941 -2.092 1.00 50.20 H new ATOM 0 HH21 ARG A 52 -10.796 -19.046 0.669 1.00 34.42 H new ATOM 0 HH22 ARG A 52 -11.407 -18.927 -0.984 1.00 34.42 H new ATOM 821 N GLN A 53 -8.162 -13.874 5.810 1.00 61.43 N ATOM 822 CA GLN A 53 -8.296 -14.892 6.835 1.00 4.45 C ATOM 823 C GLN A 53 -9.265 -14.471 7.935 1.00 42.34 C ATOM 824 O GLN A 53 -10.017 -15.306 8.433 1.00 24.03 O ATOM 825 CB GLN A 53 -6.899 -15.232 7.388 1.00 30.43 C ATOM 826 CG GLN A 53 -6.699 -16.748 7.426 1.00 12.43 C ATOM 827 CD GLN A 53 -5.259 -17.140 7.762 1.00 43.35 C ATOM 828 OE1 GLN A 53 -4.613 -16.564 8.639 1.00 20.10 O ATOM 829 NE2 GLN A 53 -4.716 -18.163 7.120 1.00 62.31 N ATOM 0 H GLN A 53 -7.204 -13.550 5.678 1.00 61.43 H new ATOM 0 HA GLN A 53 -8.727 -15.790 6.392 1.00 4.45 H new ATOM 0 HB2 GLN A 53 -6.132 -14.772 6.765 1.00 30.43 H new ATOM 0 HB3 GLN A 53 -6.786 -14.818 8.390 1.00 30.43 H new ATOM 0 HG2 GLN A 53 -7.372 -17.182 8.165 1.00 12.43 H new ATOM 0 HG3 GLN A 53 -6.971 -17.172 6.459 1.00 12.43 H new ATOM 0 HE21 GLN A 53 -5.243 -18.646 6.392 1.00 62.31 H new ATOM 0 HE22 GLN A 53 -3.771 -18.468 7.353 1.00 62.31 H new ATOM 838 N ASP A 54 -9.246 -13.184 8.292 1.00 70.14 N ATOM 839 CA ASP A 54 -10.034 -12.610 9.381 1.00 42.42 C ATOM 840 C ASP A 54 -10.298 -11.116 9.107 1.00 15.53 C ATOM 841 O ASP A 54 -10.454 -10.331 10.039 1.00 62.52 O ATOM 842 CB ASP A 54 -9.262 -12.807 10.699 1.00 54.15 C ATOM 843 CG ASP A 54 -10.148 -13.165 11.897 1.00 61.00 C ATOM 844 OD1 ASP A 54 -10.370 -14.380 12.121 1.00 41.41 O ATOM 845 OD2 ASP A 54 -10.498 -12.277 12.704 1.00 35.44 O ATOM 0 H ASP A 54 -8.664 -12.494 7.816 1.00 70.14 H new ATOM 0 HA ASP A 54 -11.000 -13.109 9.455 1.00 42.42 H new ATOM 0 HB2 ASP A 54 -8.522 -13.595 10.560 1.00 54.15 H new ATOM 0 HB3 ASP A 54 -8.714 -11.893 10.927 1.00 54.15 H new ATOM 850 N TYR A 55 -10.243 -10.691 7.839 1.00 65.41 N ATOM 851 CA TYR A 55 -10.295 -9.304 7.363 1.00 15.02 C ATOM 852 C TYR A 55 -11.671 -8.996 6.723 1.00 61.21 C ATOM 853 O TYR A 55 -11.802 -9.038 5.497 1.00 34.01 O ATOM 854 CB TYR A 55 -9.138 -9.051 6.371 1.00 5.31 C ATOM 855 CG TYR A 55 -7.811 -8.625 6.983 1.00 50.21 C ATOM 856 CD1 TYR A 55 -7.231 -9.351 8.040 1.00 65.03 C ATOM 857 CD2 TYR A 55 -7.158 -7.470 6.506 1.00 32.01 C ATOM 858 CE1 TYR A 55 -6.049 -8.907 8.649 1.00 4.33 C ATOM 859 CE2 TYR A 55 -5.961 -7.034 7.094 1.00 62.13 C ATOM 860 CZ TYR A 55 -5.413 -7.734 8.188 1.00 53.24 C ATOM 861 OH TYR A 55 -4.289 -7.268 8.796 1.00 1.24 O ATOM 0 H TYR A 55 -10.155 -11.352 7.067 1.00 65.41 H new ATOM 0 HA TYR A 55 -10.174 -8.629 8.210 1.00 15.02 H new ATOM 0 HB2 TYR A 55 -8.974 -9.962 5.796 1.00 5.31 H new ATOM 0 HB3 TYR A 55 -9.453 -8.282 5.666 1.00 5.31 H new ATOM 0 HD1 TYR A 55 -7.701 -10.260 8.386 1.00 65.03 H new ATOM 0 HD2 TYR A 55 -7.583 -6.917 5.681 1.00 32.01 H new ATOM 0 HE1 TYR A 55 -5.624 -9.463 9.472 1.00 4.33 H new ATOM 0 HE2 TYR A 55 -5.458 -6.160 6.707 1.00 62.13 H new ATOM 0 HH TYR A 55 -4.050 -7.860 9.539 1.00 1.24 H new ATOM 871 N PRO A 56 -12.715 -8.676 7.516 1.00 54.15 N ATOM 872 CA PRO A 56 -14.037 -8.352 6.989 1.00 43.52 C ATOM 873 C PRO A 56 -14.108 -6.985 6.299 1.00 73.41 C ATOM 874 O PRO A 56 -15.118 -6.703 5.656 1.00 40.44 O ATOM 875 CB PRO A 56 -14.978 -8.416 8.195 1.00 31.20 C ATOM 876 CG PRO A 56 -14.071 -8.012 9.353 1.00 61.33 C ATOM 877 CD PRO A 56 -12.741 -8.653 8.964 1.00 12.52 C ATOM 0 HA PRO A 56 -14.312 -9.057 6.205 1.00 43.52 H new ATOM 0 HB2 PRO A 56 -15.822 -7.735 8.086 1.00 31.20 H new ATOM 0 HB3 PRO A 56 -15.390 -9.415 8.334 1.00 31.20 H new ATOM 0 HG2 PRO A 56 -13.989 -6.929 9.446 1.00 61.33 H new ATOM 0 HG3 PRO A 56 -14.439 -8.387 10.308 1.00 61.33 H new ATOM 0 HD2 PRO A 56 -11.902 -8.081 9.360 1.00 12.52 H new ATOM 0 HD3 PRO A 56 -12.660 -9.661 9.371 1.00 12.52 H new ATOM 885 N GLU A 57 -13.067 -6.156 6.352 1.00 34.11 N ATOM 886 CA GLU A 57 -13.000 -4.878 5.636 1.00 35.25 C ATOM 887 C GLU A 57 -11.589 -4.616 5.098 1.00 52.53 C ATOM 888 O GLU A 57 -10.643 -5.294 5.514 1.00 22.43 O ATOM 889 CB GLU A 57 -13.478 -3.734 6.553 1.00 41.33 C ATOM 890 CG GLU A 57 -14.972 -3.468 6.340 1.00 2.23 C ATOM 891 CD GLU A 57 -15.400 -2.118 6.907 1.00 13.30 C ATOM 892 OE1 GLU A 57 -15.662 -2.058 8.128 1.00 52.22 O ATOM 893 OE2 GLU A 57 -15.547 -1.159 6.113 1.00 1.55 O ATOM 0 H GLU A 57 -12.231 -6.354 6.902 1.00 34.11 H new ATOM 0 HA GLU A 57 -13.665 -4.927 4.774 1.00 35.25 H new ATOM 0 HB2 GLU A 57 -13.293 -3.994 7.595 1.00 41.33 H new ATOM 0 HB3 GLU A 57 -12.907 -2.829 6.344 1.00 41.33 H new ATOM 0 HG2 GLU A 57 -15.198 -3.501 5.274 1.00 2.23 H new ATOM 0 HG3 GLU A 57 -15.552 -4.260 6.813 1.00 2.23 H new ATOM 900 N PRO A 58 -11.430 -3.648 4.174 1.00 21.14 N ATOM 901 CA PRO A 58 -10.127 -3.283 3.648 1.00 42.31 C ATOM 902 C PRO A 58 -9.172 -2.796 4.748 1.00 43.10 C ATOM 903 O PRO A 58 -9.608 -2.284 5.783 1.00 51.02 O ATOM 904 CB PRO A 58 -10.394 -2.212 2.599 1.00 51.32 C ATOM 905 CG PRO A 58 -11.761 -1.642 2.948 1.00 64.05 C ATOM 906 CD PRO A 58 -12.468 -2.864 3.515 1.00 1.24 C ATOM 0 HA PRO A 58 -9.622 -4.145 3.212 1.00 42.31 H new ATOM 0 HB2 PRO A 58 -9.627 -1.438 2.623 1.00 51.32 H new ATOM 0 HB3 PRO A 58 -10.389 -2.635 1.594 1.00 51.32 H new ATOM 0 HG2 PRO A 58 -11.694 -0.833 3.676 1.00 64.05 H new ATOM 0 HG3 PRO A 58 -12.273 -1.242 2.073 1.00 64.05 H new ATOM 0 HD2 PRO A 58 -13.247 -2.574 4.220 1.00 1.24 H new ATOM 0 HD3 PRO A 58 -12.951 -3.439 2.725 1.00 1.24 H new ATOM 914 N PRO A 59 -7.853 -2.929 4.531 1.00 21.45 N ATOM 915 CA PRO A 59 -6.864 -2.586 5.533 1.00 23.32 C ATOM 916 C PRO A 59 -6.772 -1.067 5.714 1.00 73.12 C ATOM 917 O PRO A 59 -6.369 -0.344 4.799 1.00 60.43 O ATOM 918 CB PRO A 59 -5.564 -3.216 5.036 1.00 15.12 C ATOM 919 CG PRO A 59 -5.729 -3.369 3.532 1.00 34.45 C ATOM 920 CD PRO A 59 -7.227 -3.595 3.395 1.00 54.14 C ATOM 0 HA PRO A 59 -7.116 -2.963 6.524 1.00 23.32 H new ATOM 0 HB2 PRO A 59 -4.707 -2.585 5.274 1.00 15.12 H new ATOM 0 HB3 PRO A 59 -5.390 -4.182 5.511 1.00 15.12 H new ATOM 0 HG2 PRO A 59 -5.400 -2.480 2.994 1.00 34.45 H new ATOM 0 HG3 PRO A 59 -5.153 -4.209 3.142 1.00 34.45 H new ATOM 0 HD2 PRO A 59 -7.596 -3.186 2.454 1.00 54.14 H new ATOM 0 HD3 PRO A 59 -7.460 -4.660 3.393 1.00 54.14 H new ATOM 928 N ASP A 60 -7.130 -0.575 6.903 1.00 23.22 N ATOM 929 CA ASP A 60 -7.097 0.848 7.219 1.00 70.44 C ATOM 930 C ASP A 60 -5.727 1.220 7.773 1.00 54.13 C ATOM 931 O ASP A 60 -5.414 0.964 8.941 1.00 40.04 O ATOM 932 CB ASP A 60 -8.220 1.229 8.184 1.00 23.43 C ATOM 933 CG ASP A 60 -8.439 2.739 8.201 1.00 22.23 C ATOM 934 OD1 ASP A 60 -7.479 3.514 7.994 1.00 33.13 O ATOM 935 OD2 ASP A 60 -9.624 3.122 8.355 1.00 32.33 O ATOM 0 H ASP A 60 -7.452 -1.159 7.675 1.00 23.22 H new ATOM 0 HA ASP A 60 -7.264 1.416 6.304 1.00 70.44 H new ATOM 0 HB2 ASP A 60 -9.142 0.728 7.890 1.00 23.43 H new ATOM 0 HB3 ASP A 60 -7.975 0.882 9.188 1.00 23.43 H new ATOM 940 N PHE A 61 -4.853 1.744 6.918 1.00 45.41 N ATOM 941 CA PHE A 61 -3.563 2.262 7.350 1.00 42.44 C ATOM 942 C PHE A 61 -3.655 3.671 7.928 1.00 31.13 C ATOM 943 O PHE A 61 -2.726 4.053 8.624 1.00 21.12 O ATOM 944 CB PHE A 61 -2.558 2.262 6.189 1.00 1.24 C ATOM 945 CG PHE A 61 -2.433 0.921 5.499 1.00 50.24 C ATOM 946 CD1 PHE A 61 -1.594 -0.094 6.000 1.00 55.30 C ATOM 947 CD2 PHE A 61 -3.210 0.680 4.356 1.00 65.01 C ATOM 948 CE1 PHE A 61 -1.578 -1.355 5.374 1.00 60.51 C ATOM 949 CE2 PHE A 61 -3.207 -0.577 3.740 1.00 3.24 C ATOM 950 CZ PHE A 61 -2.408 -1.603 4.263 1.00 30.52 C ATOM 0 H PHE A 61 -5.019 1.820 5.914 1.00 45.41 H new ATOM 0 HA PHE A 61 -3.220 1.595 8.141 1.00 42.44 H new ATOM 0 HB2 PHE A 61 -2.860 3.011 5.457 1.00 1.24 H new ATOM 0 HB3 PHE A 61 -1.580 2.560 6.566 1.00 1.24 H new ATOM 0 HD1 PHE A 61 -0.967 0.094 6.859 1.00 55.30 H new ATOM 0 HD2 PHE A 61 -3.818 1.474 3.947 1.00 65.01 H new ATOM 0 HE1 PHE A 61 -0.928 -2.133 5.746 1.00 60.51 H new ATOM 0 HE2 PHE A 61 -3.817 -0.755 2.867 1.00 3.24 H new ATOM 0 HZ PHE A 61 -2.429 -2.585 3.814 1.00 30.52 H new ATOM 960 N ILE A 62 -4.675 4.477 7.618 1.00 41.25 N ATOM 961 CA ILE A 62 -4.654 5.894 7.987 1.00 51.33 C ATOM 962 C ILE A 62 -5.138 6.010 9.436 1.00 44.32 C ATOM 963 O ILE A 62 -4.518 6.702 10.249 1.00 54.40 O ATOM 964 CB ILE A 62 -5.461 6.775 6.992 1.00 3.42 C ATOM 965 CG1 ILE A 62 -5.061 6.514 5.518 1.00 3.22 C ATOM 966 CG2 ILE A 62 -5.227 8.263 7.335 1.00 33.43 C ATOM 967 CD1 ILE A 62 -6.011 7.161 4.503 1.00 44.32 C ATOM 0 H ILE A 62 -5.513 4.178 7.120 1.00 41.25 H new ATOM 0 HA ILE A 62 -3.638 6.283 7.923 1.00 51.33 H new ATOM 0 HB ILE A 62 -6.515 6.516 7.093 1.00 3.42 H new ATOM 0 HG12 ILE A 62 -4.052 6.891 5.351 1.00 3.22 H new ATOM 0 HG13 ILE A 62 -5.032 5.439 5.343 1.00 3.22 H new ATOM 0 HG21 ILE A 62 -5.789 8.889 6.642 1.00 33.43 H new ATOM 0 HG22 ILE A 62 -5.562 8.458 8.354 1.00 33.43 H new ATOM 0 HG23 ILE A 62 -4.165 8.493 7.251 1.00 33.43 H new ATOM 0 HD11 ILE A 62 -5.670 6.937 3.492 1.00 44.32 H new ATOM 0 HD12 ILE A 62 -7.017 6.766 4.643 1.00 44.32 H new ATOM 0 HD13 ILE A 62 -6.022 8.241 4.652 1.00 44.32 H new ATOM 979 N ALA A 63 -6.238 5.331 9.767 1.00 71.41 N ATOM 980 CA ALA A 63 -6.893 5.420 11.069 1.00 53.44 C ATOM 981 C ALA A 63 -6.394 4.370 12.067 1.00 34.03 C ATOM 982 O ALA A 63 -6.504 4.566 13.278 1.00 22.32 O ATOM 983 CB ALA A 63 -8.395 5.245 10.867 1.00 44.34 C ATOM 0 H ALA A 63 -6.706 4.692 9.124 1.00 71.41 H new ATOM 0 HA ALA A 63 -6.655 6.396 11.492 1.00 53.44 H new ATOM 0 HB1 ALA A 63 -8.901 5.309 11.830 1.00 44.34 H new ATOM 0 HB2 ALA A 63 -8.767 6.030 10.209 1.00 44.34 H new ATOM 0 HB3 ALA A 63 -8.591 4.271 10.418 1.00 44.34 H new ATOM 989 N SER A 64 -5.822 3.262 11.601 1.00 41.03 N ATOM 990 CA SER A 64 -5.399 2.132 12.430 1.00 31.22 C ATOM 991 C SER A 64 -3.993 1.709 12.011 1.00 30.12 C ATOM 992 O SER A 64 -3.337 2.450 11.275 1.00 2.24 O ATOM 993 CB SER A 64 -6.477 1.041 12.337 1.00 53.44 C ATOM 994 OG SER A 64 -6.449 0.201 13.473 1.00 30.34 O ATOM 0 H SER A 64 -5.634 3.120 10.609 1.00 41.03 H new ATOM 0 HA SER A 64 -5.317 2.384 13.487 1.00 31.22 H new ATOM 0 HB2 SER A 64 -7.460 1.503 12.247 1.00 53.44 H new ATOM 0 HB3 SER A 64 -6.320 0.446 11.437 1.00 53.44 H new ATOM 0 HG SER A 64 -7.145 -0.484 13.391 1.00 30.34 H new ATOM 1000 N ARG A 65 -3.447 0.588 12.503 1.00 45.51 N ATOM 1001 CA ARG A 65 -2.296 -0.019 11.843 1.00 73.11 C ATOM 1002 C ARG A 65 -2.267 -1.560 11.963 1.00 13.42 C ATOM 1003 O ARG A 65 -1.207 -2.130 12.226 1.00 52.11 O ATOM 1004 CB ARG A 65 -1.004 0.692 12.344 1.00 52.22 C ATOM 1005 CG ARG A 65 -0.717 0.768 13.861 1.00 73.12 C ATOM 1006 CD ARG A 65 -0.240 -0.581 14.393 1.00 24.33 C ATOM 1007 NE ARG A 65 0.338 -0.550 15.739 1.00 44.02 N ATOM 1008 CZ ARG A 65 1.216 -1.461 16.178 1.00 10.43 C ATOM 1009 NH1 ARG A 65 1.883 -2.251 15.338 1.00 40.32 N ATOM 1010 NH2 ARG A 65 1.384 -1.614 17.481 1.00 34.22 N ATOM 0 H ARG A 65 -3.777 0.098 13.334 1.00 45.51 H new ATOM 0 HA ARG A 65 -2.371 0.138 10.767 1.00 73.11 H new ATOM 0 HB2 ARG A 65 -0.155 0.195 11.875 1.00 52.22 H new ATOM 0 HB3 ARG A 65 -1.025 1.713 11.964 1.00 52.22 H new ATOM 0 HG2 ARG A 65 0.040 1.528 14.054 1.00 73.12 H new ATOM 0 HG3 ARG A 65 -1.619 1.074 14.391 1.00 73.12 H new ATOM 0 HD2 ARG A 65 -1.082 -1.273 14.392 1.00 24.33 H new ATOM 0 HD3 ARG A 65 0.503 -0.983 13.705 1.00 24.33 H new ATOM 0 HE ARG A 65 0.059 0.200 16.371 1.00 44.02 H new ATOM 0 HH11 ARG A 65 1.731 -2.171 14.333 1.00 40.32 H new ATOM 0 HH12 ARG A 65 2.546 -2.936 15.700 1.00 40.32 H new ATOM 0 HH21 ARG A 65 0.849 -1.043 18.135 1.00 34.22 H new ATOM 0 HH22 ARG A 65 2.049 -2.303 17.832 1.00 34.22 H new ATOM 1024 N PRO A 66 -3.334 -2.300 11.618 1.00 23.11 N ATOM 1025 CA PRO A 66 -3.284 -3.762 11.661 1.00 12.54 C ATOM 1026 C PRO A 66 -2.425 -4.288 10.520 1.00 21.23 C ATOM 1027 O PRO A 66 -1.445 -5.013 10.719 1.00 2.13 O ATOM 1028 CB PRO A 66 -4.739 -4.224 11.533 1.00 34.04 C ATOM 1029 CG PRO A 66 -5.441 -3.065 10.823 1.00 30.23 C ATOM 1030 CD PRO A 66 -4.696 -1.855 11.370 1.00 33.43 C ATOM 0 HA PRO A 66 -2.836 -4.137 12.581 1.00 12.54 H new ATOM 0 HB2 PRO A 66 -4.814 -5.147 10.958 1.00 34.04 H new ATOM 0 HB3 PRO A 66 -5.182 -4.419 12.510 1.00 34.04 H new ATOM 0 HG2 PRO A 66 -5.356 -3.140 9.739 1.00 30.23 H new ATOM 0 HG3 PRO A 66 -6.505 -3.028 11.057 1.00 30.23 H new ATOM 0 HD2 PRO A 66 -4.713 -1.031 10.657 1.00 33.43 H new ATOM 0 HD3 PRO A 66 -5.161 -1.492 12.287 1.00 33.43 H new ATOM 1038 N ALA A 67 -2.784 -3.890 9.303 1.00 30.34 N ATOM 1039 CA ALA A 67 -2.210 -4.436 8.099 1.00 11.32 C ATOM 1040 C ALA A 67 -0.779 -3.974 7.909 1.00 70.44 C ATOM 1041 O ALA A 67 -0.058 -4.602 7.152 1.00 73.32 O ATOM 1042 CB ALA A 67 -3.056 -4.017 6.916 1.00 60.40 C ATOM 0 H ALA A 67 -3.489 -3.172 9.134 1.00 30.34 H new ATOM 0 HA ALA A 67 -2.195 -5.523 8.180 1.00 11.32 H new ATOM 0 HB1 ALA A 67 -2.629 -4.426 6.000 1.00 60.40 H new ATOM 0 HB2 ALA A 67 -4.071 -4.394 7.043 1.00 60.40 H new ATOM 0 HB3 ALA A 67 -3.078 -2.929 6.852 1.00 60.40 H new ATOM 1048 N THR A 68 -0.334 -2.930 8.594 1.00 4.14 N ATOM 1049 CA THR A 68 1.038 -2.450 8.588 1.00 33.54 C ATOM 1050 C THR A 68 2.012 -3.609 8.873 1.00 73.40 C ATOM 1051 O THR A 68 2.968 -3.817 8.120 1.00 42.41 O ATOM 1052 CB THR A 68 1.097 -1.293 9.601 1.00 5.13 C ATOM 1053 OG1 THR A 68 0.001 -0.427 9.357 1.00 53.22 O ATOM 1054 CG2 THR A 68 2.374 -0.473 9.490 1.00 65.11 C ATOM 0 H THR A 68 -0.944 -2.373 9.192 1.00 4.14 H new ATOM 0 HA THR A 68 1.352 -2.070 7.616 1.00 33.54 H new ATOM 0 HB THR A 68 1.066 -1.732 10.598 1.00 5.13 H new ATOM 0 HG1 THR A 68 0.183 0.451 9.753 1.00 53.22 H new ATOM 0 HG21 THR A 68 2.358 0.328 10.229 1.00 65.11 H new ATOM 0 HG22 THR A 68 3.236 -1.116 9.670 1.00 65.11 H new ATOM 0 HG23 THR A 68 2.445 -0.043 8.491 1.00 65.11 H new ATOM 1062 N VAL A 69 1.712 -4.432 9.886 1.00 63.24 N ATOM 1063 CA VAL A 69 2.449 -5.650 10.223 1.00 60.44 C ATOM 1064 C VAL A 69 2.416 -6.619 9.039 1.00 42.25 C ATOM 1065 O VAL A 69 3.425 -7.228 8.668 1.00 75.42 O ATOM 1066 CB VAL A 69 1.806 -6.309 11.469 1.00 50.51 C ATOM 1067 CG1 VAL A 69 2.603 -7.537 11.944 1.00 71.24 C ATOM 1068 CG2 VAL A 69 1.653 -5.303 12.622 1.00 11.20 C ATOM 0 H VAL A 69 0.925 -4.260 10.511 1.00 63.24 H new ATOM 0 HA VAL A 69 3.487 -5.401 10.444 1.00 60.44 H new ATOM 0 HB VAL A 69 0.814 -6.644 11.166 1.00 50.51 H new ATOM 0 HG11 VAL A 69 2.118 -7.969 12.819 1.00 71.24 H new ATOM 0 HG12 VAL A 69 2.639 -8.279 11.146 1.00 71.24 H new ATOM 0 HG13 VAL A 69 3.617 -7.234 12.203 1.00 71.24 H new ATOM 0 HG21 VAL A 69 1.199 -5.799 13.480 1.00 11.20 H new ATOM 0 HG22 VAL A 69 2.634 -4.919 12.902 1.00 11.20 H new ATOM 0 HG23 VAL A 69 1.018 -4.477 12.302 1.00 11.20 H new ATOM 1078 N LYS A 70 1.225 -6.798 8.472 1.00 65.33 N ATOM 1079 CA LYS A 70 0.953 -7.765 7.432 1.00 63.45 C ATOM 1080 C LYS A 70 1.713 -7.397 6.155 1.00 43.32 C ATOM 1081 O LYS A 70 2.340 -8.278 5.570 1.00 22.14 O ATOM 1082 CB LYS A 70 -0.576 -7.876 7.293 1.00 0.51 C ATOM 1083 CG LYS A 70 -1.021 -9.239 6.753 1.00 1.14 C ATOM 1084 CD LYS A 70 -2.449 -9.593 7.205 1.00 74.02 C ATOM 1085 CE LYS A 70 -2.745 -11.095 7.136 1.00 1.32 C ATOM 1086 NZ LYS A 70 -1.994 -11.887 8.139 1.00 10.51 N ATOM 0 H LYS A 70 0.404 -6.254 8.737 1.00 65.33 H new ATOM 0 HA LYS A 70 1.321 -8.762 7.676 1.00 63.45 H new ATOM 0 HB2 LYS A 70 -1.039 -7.706 8.265 1.00 0.51 H new ATOM 0 HB3 LYS A 70 -0.935 -7.091 6.627 1.00 0.51 H new ATOM 0 HG2 LYS A 70 -0.976 -9.231 5.664 1.00 1.14 H new ATOM 0 HG3 LYS A 70 -0.330 -10.009 7.095 1.00 1.14 H new ATOM 0 HD2 LYS A 70 -2.597 -9.246 8.228 1.00 74.02 H new ATOM 0 HD3 LYS A 70 -3.165 -9.058 6.580 1.00 74.02 H new ATOM 0 HE2 LYS A 70 -3.813 -11.255 7.283 1.00 1.32 H new ATOM 0 HE3 LYS A 70 -2.502 -11.461 6.138 1.00 1.32 H new ATOM 0 HZ1 LYS A 70 -2.370 -12.856 8.169 1.00 10.51 H new ATOM 0 HZ2 LYS A 70 -0.988 -11.914 7.877 1.00 10.51 H new ATOM 0 HZ3 LYS A 70 -2.096 -11.447 9.076 1.00 10.51 H new ATOM 1100 N LEU A 71 1.774 -6.114 5.774 1.00 53.44 N ATOM 1101 CA LEU A 71 2.597 -5.611 4.673 1.00 54.02 C ATOM 1102 C LEU A 71 4.033 -6.065 4.879 1.00 32.41 C ATOM 1103 O LEU A 71 4.639 -6.580 3.947 1.00 15.32 O ATOM 1104 CB LEU A 71 2.627 -4.070 4.579 1.00 51.05 C ATOM 1105 CG LEU A 71 1.323 -3.327 4.298 1.00 5.11 C ATOM 1106 CD1 LEU A 71 1.597 -1.823 4.408 1.00 20.30 C ATOM 1107 CD2 LEU A 71 0.670 -3.575 2.951 1.00 34.24 C ATOM 0 H LEU A 71 1.237 -5.381 6.237 1.00 53.44 H new ATOM 0 HA LEU A 71 2.153 -6.004 3.759 1.00 54.02 H new ATOM 0 HB2 LEU A 71 3.029 -3.689 5.518 1.00 51.05 H new ATOM 0 HB3 LEU A 71 3.336 -3.800 3.797 1.00 51.05 H new ATOM 0 HG LEU A 71 0.620 -3.714 5.036 1.00 5.11 H new ATOM 0 HD11 LEU A 71 0.678 -1.270 4.211 1.00 20.30 H new ATOM 0 HD12 LEU A 71 1.952 -1.590 5.412 1.00 20.30 H new ATOM 0 HD13 LEU A 71 2.356 -1.537 3.679 1.00 20.30 H new ATOM 0 HD21 LEU A 71 -0.246 -2.989 2.877 1.00 34.24 H new ATOM 0 HD22 LEU A 71 1.354 -3.280 2.155 1.00 34.24 H new ATOM 0 HD23 LEU A 71 0.432 -4.634 2.851 1.00 34.24 H new ATOM 1119 N THR A 72 4.588 -5.866 6.079 1.00 32.31 N ATOM 1120 CA THR A 72 5.996 -6.110 6.346 1.00 11.34 C ATOM 1121 C THR A 72 6.355 -7.580 6.163 1.00 53.22 C ATOM 1122 O THR A 72 7.488 -7.872 5.778 1.00 74.14 O ATOM 1123 CB THR A 72 6.325 -5.574 7.741 1.00 64.11 C ATOM 1124 OG1 THR A 72 6.319 -4.166 7.686 1.00 61.33 O ATOM 1125 CG2 THR A 72 7.673 -6.028 8.282 1.00 44.41 C ATOM 0 H THR A 72 4.067 -5.531 6.889 1.00 32.31 H new ATOM 0 HA THR A 72 6.613 -5.578 5.622 1.00 11.34 H new ATOM 0 HB THR A 72 5.568 -5.972 8.417 1.00 64.11 H new ATOM 0 HG1 THR A 72 6.526 -3.803 8.572 1.00 61.33 H new ATOM 0 HG21 THR A 72 7.828 -5.604 9.274 1.00 44.41 H new ATOM 0 HG22 THR A 72 7.692 -7.116 8.345 1.00 44.41 H new ATOM 0 HG23 THR A 72 8.466 -5.689 7.615 1.00 44.41 H new ATOM 1133 N ARG A 73 5.408 -8.508 6.342 1.00 41.11 N ATOM 1134 CA ARG A 73 5.672 -9.905 6.008 1.00 21.32 C ATOM 1135 C ARG A 73 6.125 -10.068 4.551 1.00 61.23 C ATOM 1136 O ARG A 73 7.023 -10.869 4.294 1.00 34.34 O ATOM 1137 CB ARG A 73 4.495 -10.818 6.364 1.00 12.15 C ATOM 1138 CG ARG A 73 4.158 -10.668 7.860 1.00 33.30 C ATOM 1139 CD ARG A 73 3.648 -11.956 8.502 1.00 44.54 C ATOM 1140 NE ARG A 73 4.733 -12.928 8.751 1.00 12.41 N ATOM 1141 CZ ARG A 73 5.028 -14.038 8.057 1.00 12.41 C ATOM 1142 NH1 ARG A 73 4.358 -14.388 6.968 1.00 55.23 N ATOM 1143 NH2 ARG A 73 6.028 -14.812 8.460 1.00 3.05 N ATOM 0 H ARG A 73 4.474 -8.321 6.708 1.00 41.11 H new ATOM 0 HA ARG A 73 6.506 -10.229 6.631 1.00 21.32 H new ATOM 0 HB2 ARG A 73 3.626 -10.561 5.758 1.00 12.15 H new ATOM 0 HB3 ARG A 73 4.745 -11.855 6.139 1.00 12.15 H new ATOM 0 HG2 ARG A 73 5.048 -10.334 8.393 1.00 33.30 H new ATOM 0 HG3 ARG A 73 3.404 -9.889 7.978 1.00 33.30 H new ATOM 0 HD2 ARG A 73 3.153 -11.718 9.444 1.00 44.54 H new ATOM 0 HD3 ARG A 73 2.898 -12.410 7.854 1.00 44.54 H new ATOM 0 HE ARG A 73 5.333 -12.730 9.551 1.00 12.41 H new ATOM 0 HH11 ARG A 73 3.590 -13.806 6.633 1.00 55.23 H new ATOM 0 HH12 ARG A 73 4.610 -15.239 6.466 1.00 55.23 H new ATOM 0 HH21 ARG A 73 6.564 -14.561 9.290 1.00 3.05 H new ATOM 0 HH22 ARG A 73 6.260 -15.658 7.939 1.00 3.05 H new ATOM 1157 N SER A 74 5.563 -9.268 3.642 1.00 41.14 N ATOM 1158 CA SER A 74 5.905 -9.208 2.224 1.00 51.13 C ATOM 1159 C SER A 74 7.030 -8.201 1.897 1.00 14.14 C ATOM 1160 O SER A 74 7.406 -8.093 0.733 1.00 64.11 O ATOM 1161 CB SER A 74 4.642 -8.835 1.432 1.00 14.31 C ATOM 1162 OG SER A 74 3.563 -9.726 1.643 1.00 31.40 O ATOM 0 H SER A 74 4.821 -8.613 3.890 1.00 41.14 H new ATOM 0 HA SER A 74 6.283 -10.191 1.943 1.00 51.13 H new ATOM 0 HB2 SER A 74 4.332 -7.828 1.710 1.00 14.31 H new ATOM 0 HB3 SER A 74 4.882 -8.812 0.369 1.00 14.31 H new ATOM 0 HG SER A 74 2.790 -9.435 1.115 1.00 31.40 H new ATOM 1168 N ILE A 75 7.580 -7.444 2.859 1.00 63.31 N ATOM 1169 CA ILE A 75 8.641 -6.453 2.619 1.00 1.20 C ATOM 1170 C ILE A 75 9.972 -6.988 3.198 1.00 3.34 C ATOM 1171 O ILE A 75 10.301 -6.681 4.350 1.00 12.20 O ATOM 1172 CB ILE A 75 8.266 -5.047 3.148 1.00 73.12 C ATOM 1173 CG1 ILE A 75 6.918 -4.518 2.601 1.00 32.43 C ATOM 1174 CG2 ILE A 75 9.346 -4.019 2.742 1.00 4.44 C ATOM 1175 CD1 ILE A 75 6.317 -3.438 3.506 1.00 12.52 C ATOM 0 H ILE A 75 7.297 -7.503 3.837 1.00 63.31 H new ATOM 0 HA ILE A 75 8.767 -6.317 1.545 1.00 1.20 H new ATOM 0 HB ILE A 75 8.187 -5.159 4.229 1.00 73.12 H new ATOM 0 HG12 ILE A 75 7.067 -4.111 1.601 1.00 32.43 H new ATOM 0 HG13 ILE A 75 6.215 -5.345 2.507 1.00 32.43 H new ATOM 0 HG21 ILE A 75 9.071 -3.034 3.120 1.00 4.44 H new ATOM 0 HG22 ILE A 75 10.307 -4.314 3.164 1.00 4.44 H new ATOM 0 HG23 ILE A 75 9.423 -3.982 1.655 1.00 4.44 H new ATOM 0 HD11 ILE A 75 5.372 -3.095 3.085 1.00 12.52 H new ATOM 0 HD12 ILE A 75 6.143 -3.851 4.499 1.00 12.52 H new ATOM 0 HD13 ILE A 75 7.008 -2.598 3.579 1.00 12.52 H new ATOM 1187 N PRO A 76 10.741 -7.796 2.450 1.00 73.14 N ATOM 1188 CA PRO A 76 12.034 -8.331 2.867 1.00 20.11 C ATOM 1189 C PRO A 76 13.103 -7.218 2.945 1.00 21.23 C ATOM 1190 O PRO A 76 12.854 -6.061 2.584 1.00 43.10 O ATOM 1191 CB PRO A 76 12.339 -9.375 1.785 1.00 65.03 C ATOM 1192 CG PRO A 76 11.831 -8.687 0.537 1.00 14.41 C ATOM 1193 CD PRO A 76 10.491 -8.183 1.072 1.00 32.35 C ATOM 0 HA PRO A 76 12.029 -8.763 3.868 1.00 20.11 H new ATOM 0 HB2 PRO A 76 13.404 -9.600 1.723 1.00 65.03 H new ATOM 0 HB3 PRO A 76 11.824 -10.318 1.970 1.00 65.03 H new ATOM 0 HG2 PRO A 76 12.483 -7.879 0.206 1.00 14.41 H new ATOM 0 HG3 PRO A 76 11.718 -9.370 -0.305 1.00 14.41 H new ATOM 0 HD2 PRO A 76 10.128 -7.338 0.487 1.00 32.35 H new ATOM 0 HD3 PRO A 76 9.729 -8.960 1.015 1.00 32.35 H new ATOM 1201 N ALA A 77 14.320 -7.570 3.376 1.00 63.14 N ATOM 1202 CA ALA A 77 15.438 -6.641 3.540 1.00 53.32 C ATOM 1203 C ALA A 77 15.838 -5.869 2.266 1.00 50.12 C ATOM 1204 O ALA A 77 16.166 -4.689 2.401 1.00 30.21 O ATOM 1205 CB ALA A 77 16.650 -7.363 4.130 1.00 71.04 C ATOM 0 H ALA A 77 14.557 -8.530 3.625 1.00 63.14 H new ATOM 0 HA ALA A 77 15.077 -5.880 4.232 1.00 53.32 H new ATOM 0 HB1 ALA A 77 17.473 -6.658 4.246 1.00 71.04 H new ATOM 0 HB2 ALA A 77 16.388 -7.778 5.103 1.00 71.04 H new ATOM 0 HB3 ALA A 77 16.954 -8.169 3.462 1.00 71.04 H new ATOM 1211 N PRO A 78 15.817 -6.430 1.041 1.00 1.04 N ATOM 1212 CA PRO A 78 16.138 -5.659 -0.156 1.00 33.13 C ATOM 1213 C PRO A 78 15.077 -4.608 -0.486 1.00 60.11 C ATOM 1214 O PRO A 78 15.354 -3.716 -1.285 1.00 4.31 O ATOM 1215 CB PRO A 78 16.308 -6.679 -1.289 1.00 60.12 C ATOM 1216 CG PRO A 78 15.467 -7.858 -0.817 1.00 33.15 C ATOM 1217 CD PRO A 78 15.676 -7.829 0.684 1.00 30.05 C ATOM 0 HA PRO A 78 17.051 -5.084 -0.003 1.00 33.13 H new ATOM 0 HB2 PRO A 78 15.954 -6.286 -2.242 1.00 60.12 H new ATOM 0 HB3 PRO A 78 17.353 -6.958 -1.428 1.00 60.12 H new ATOM 0 HG2 PRO A 78 14.417 -7.740 -1.083 1.00 33.15 H new ATOM 0 HG3 PRO A 78 15.803 -8.798 -1.256 1.00 33.15 H new ATOM 0 HD2 PRO A 78 14.832 -8.281 1.204 1.00 30.05 H new ATOM 0 HD3 PRO A 78 16.564 -8.395 0.965 1.00 30.05 H new ATOM 1225 N TYR A 79 13.882 -4.658 0.112 1.00 33.13 N ATOM 1226 CA TYR A 79 12.729 -3.905 -0.379 1.00 64.32 C ATOM 1227 C TYR A 79 12.232 -2.841 0.616 1.00 30.32 C ATOM 1228 O TYR A 79 11.197 -2.206 0.387 1.00 54.42 O ATOM 1229 CB TYR A 79 11.646 -4.912 -0.789 1.00 15.11 C ATOM 1230 CG TYR A 79 12.005 -5.822 -1.960 1.00 71.54 C ATOM 1231 CD1 TYR A 79 12.989 -5.450 -2.895 1.00 45.20 C ATOM 1232 CD2 TYR A 79 11.315 -7.033 -2.168 1.00 43.41 C ATOM 1233 CE1 TYR A 79 13.247 -6.224 -4.024 1.00 73.35 C ATOM 1234 CE2 TYR A 79 11.547 -7.810 -3.315 1.00 32.11 C ATOM 1235 CZ TYR A 79 12.520 -7.410 -4.254 1.00 34.05 C ATOM 1236 OH TYR A 79 12.642 -8.065 -5.437 1.00 3.41 O ATOM 0 H TYR A 79 13.690 -5.217 0.943 1.00 33.13 H new ATOM 0 HA TYR A 79 13.022 -3.320 -1.251 1.00 64.32 H new ATOM 0 HB2 TYR A 79 11.409 -5.535 0.073 1.00 15.11 H new ATOM 0 HB3 TYR A 79 10.740 -4.362 -1.044 1.00 15.11 H new ATOM 0 HD1 TYR A 79 13.556 -4.545 -2.734 1.00 45.20 H new ATOM 0 HD2 TYR A 79 10.597 -7.369 -1.434 1.00 43.41 H new ATOM 0 HE1 TYR A 79 14.007 -5.914 -4.726 1.00 73.35 H new ATOM 0 HE2 TYR A 79 10.980 -8.714 -3.478 1.00 32.11 H new ATOM 0 HH TYR A 79 12.163 -8.919 -5.389 1.00 3.41 H new ATOM 1246 N LYS A 80 12.954 -2.635 1.722 1.00 10.24 N ATOM 1247 CA LYS A 80 12.575 -1.738 2.815 1.00 2.11 C ATOM 1248 C LYS A 80 12.397 -0.293 2.351 1.00 1.03 C ATOM 1249 O LYS A 80 11.438 0.346 2.779 1.00 72.35 O ATOM 1250 CB LYS A 80 13.628 -1.773 3.938 1.00 42.22 C ATOM 1251 CG LYS A 80 13.880 -3.151 4.564 1.00 73.04 C ATOM 1252 CD LYS A 80 12.612 -3.822 5.113 1.00 74.33 C ATOM 1253 CE LYS A 80 12.934 -5.034 5.994 1.00 62.40 C ATOM 1254 NZ LYS A 80 13.619 -4.653 7.249 1.00 14.24 N ATOM 0 H LYS A 80 13.846 -3.103 1.885 1.00 10.24 H new ATOM 0 HA LYS A 80 11.616 -2.098 3.188 1.00 2.11 H new ATOM 0 HB2 LYS A 80 14.570 -1.396 3.541 1.00 42.22 H new ATOM 0 HB3 LYS A 80 13.317 -1.087 4.726 1.00 42.22 H new ATOM 0 HG2 LYS A 80 14.330 -3.803 3.816 1.00 73.04 H new ATOM 0 HG3 LYS A 80 14.604 -3.046 5.372 1.00 73.04 H new ATOM 0 HD2 LYS A 80 12.040 -3.096 5.691 1.00 74.33 H new ATOM 0 HD3 LYS A 80 11.980 -4.136 4.282 1.00 74.33 H new ATOM 0 HE2 LYS A 80 12.011 -5.562 6.233 1.00 62.40 H new ATOM 0 HE3 LYS A 80 13.563 -5.728 5.436 1.00 62.40 H new ATOM 0 HZ1 LYS A 80 13.589 -5.450 7.916 1.00 14.24 H new ATOM 0 HZ2 LYS A 80 14.609 -4.410 7.044 1.00 14.24 H new ATOM 0 HZ3 LYS A 80 13.141 -3.831 7.670 1.00 14.24 H new ATOM 1268 N GLN A 81 13.307 0.240 1.535 1.00 74.34 N ATOM 1269 CA GLN A 81 13.383 1.659 1.197 1.00 32.12 C ATOM 1270 C GLN A 81 13.419 1.898 -0.317 1.00 0.10 C ATOM 1271 O GLN A 81 14.051 2.852 -0.777 1.00 35.41 O ATOM 1272 CB GLN A 81 14.455 2.397 2.008 1.00 21.41 C ATOM 1273 CG GLN A 81 15.809 1.784 1.725 1.00 21.43 C ATOM 1274 CD GLN A 81 16.993 2.618 2.220 1.00 44.11 C ATOM 1275 OE1 GLN A 81 16.967 3.848 2.201 1.00 2.21 O ATOM 1276 NE2 GLN A 81 18.061 1.970 2.653 1.00 23.53 N ATOM 0 H GLN A 81 14.029 -0.318 1.080 1.00 74.34 H new ATOM 0 HA GLN A 81 12.450 2.124 1.513 1.00 32.12 H new ATOM 0 HB2 GLN A 81 14.461 3.455 1.746 1.00 21.41 H new ATOM 0 HB3 GLN A 81 14.230 2.333 3.073 1.00 21.41 H new ATOM 0 HG2 GLN A 81 15.853 0.799 2.190 1.00 21.43 H new ATOM 0 HG3 GLN A 81 15.909 1.634 0.650 1.00 21.43 H new ATOM 0 HE21 GLN A 81 18.069 0.950 2.663 1.00 23.53 H new ATOM 0 HE22 GLN A 81 18.877 2.490 2.977 1.00 23.53 H new ATOM 1285 N LEU A 82 12.713 1.074 -1.107 1.00 63.43 N ATOM 1286 CA LEU A 82 12.629 1.261 -2.564 1.00 1.01 C ATOM 1287 C LEU A 82 12.101 2.651 -2.927 1.00 2.32 C ATOM 1288 O LEU A 82 12.457 3.198 -3.965 1.00 72.43 O ATOM 1289 CB LEU A 82 11.780 0.186 -3.263 1.00 33.32 C ATOM 1290 CG LEU A 82 12.221 -1.268 -3.034 1.00 65.32 C ATOM 1291 CD1 LEU A 82 11.372 -2.208 -3.901 1.00 50.25 C ATOM 1292 CD2 LEU A 82 13.718 -1.462 -3.297 1.00 70.42 C ATOM 0 H LEU A 82 12.191 0.270 -0.760 1.00 63.43 H new ATOM 0 HA LEU A 82 13.652 1.161 -2.928 1.00 1.01 H new ATOM 0 HB2 LEU A 82 10.748 0.290 -2.927 1.00 33.32 H new ATOM 0 HB3 LEU A 82 11.788 0.384 -4.335 1.00 33.32 H new ATOM 0 HG LEU A 82 12.059 -1.514 -1.985 1.00 65.32 H new ATOM 0 HD11 LEU A 82 11.687 -3.238 -3.736 1.00 50.25 H new ATOM 0 HD12 LEU A 82 10.321 -2.102 -3.631 1.00 50.25 H new ATOM 0 HD13 LEU A 82 11.504 -1.952 -4.952 1.00 50.25 H new ATOM 0 HD21 LEU A 82 13.986 -2.504 -3.123 1.00 70.42 H new ATOM 0 HD22 LEU A 82 13.943 -1.197 -4.330 1.00 70.42 H new ATOM 0 HD23 LEU A 82 14.291 -0.823 -2.625 1.00 70.42 H new ATOM 1304 N LEU A 83 11.327 3.270 -2.030 1.00 31.14 N ATOM 1305 CA LEU A 83 10.878 4.652 -2.147 1.00 34.11 C ATOM 1306 C LEU A 83 12.030 5.629 -2.412 1.00 22.12 C ATOM 1307 O LEU A 83 11.797 6.662 -3.023 1.00 15.41 O ATOM 1308 CB LEU A 83 10.131 5.070 -0.864 1.00 31.04 C ATOM 1309 CG LEU A 83 8.607 4.880 -0.938 1.00 50.41 C ATOM 1310 CD1 LEU A 83 7.971 5.146 0.425 1.00 41.23 C ATOM 1311 CD2 LEU A 83 7.974 5.815 -1.972 1.00 24.41 C ATOM 0 H LEU A 83 10.990 2.809 -1.185 1.00 31.14 H new ATOM 0 HA LEU A 83 10.210 4.698 -3.007 1.00 34.11 H new ATOM 0 HB2 LEU A 83 10.519 4.492 -0.025 1.00 31.04 H new ATOM 0 HB3 LEU A 83 10.347 6.118 -0.655 1.00 31.04 H new ATOM 0 HG LEU A 83 8.424 3.849 -1.239 1.00 50.41 H new ATOM 0 HD11 LEU A 83 6.892 5.007 0.356 1.00 41.23 H new ATOM 0 HD12 LEU A 83 8.380 4.452 1.159 1.00 41.23 H new ATOM 0 HD13 LEU A 83 8.187 6.169 0.734 1.00 41.23 H new ATOM 0 HD21 LEU A 83 6.896 5.653 -1.997 1.00 24.41 H new ATOM 0 HD22 LEU A 83 8.179 6.850 -1.700 1.00 24.41 H new ATOM 0 HD23 LEU A 83 8.395 5.608 -2.956 1.00 24.41 H new ATOM 1323 N LYS A 84 13.253 5.348 -1.965 1.00 31.21 N ATOM 1324 CA LYS A 84 14.406 6.213 -2.179 1.00 12.15 C ATOM 1325 C LYS A 84 15.359 5.573 -3.176 1.00 12.13 C ATOM 1326 O LYS A 84 15.773 6.230 -4.122 1.00 60.14 O ATOM 1327 CB LYS A 84 15.042 6.523 -0.822 1.00 62.41 C ATOM 1328 CG LYS A 84 16.267 7.422 -0.990 1.00 50.31 C ATOM 1329 CD LYS A 84 16.816 7.879 0.369 1.00 72.12 C ATOM 1330 CE LYS A 84 17.661 6.750 0.984 1.00 74.52 C ATOM 1331 NZ LYS A 84 17.826 6.879 2.444 1.00 21.13 N ATOM 0 H LYS A 84 13.471 4.502 -1.438 1.00 31.21 H new ATOM 0 HA LYS A 84 14.112 7.165 -2.622 1.00 12.15 H new ATOM 0 HB2 LYS A 84 14.312 7.012 -0.176 1.00 62.41 H new ATOM 0 HB3 LYS A 84 15.331 5.594 -0.330 1.00 62.41 H new ATOM 0 HG2 LYS A 84 17.043 6.885 -1.536 1.00 50.31 H new ATOM 0 HG3 LYS A 84 16.002 8.293 -1.589 1.00 50.31 H new ATOM 0 HD2 LYS A 84 17.422 8.776 0.246 1.00 72.12 H new ATOM 0 HD3 LYS A 84 15.995 8.139 1.037 1.00 72.12 H new ATOM 0 HE2 LYS A 84 17.193 5.791 0.761 1.00 74.52 H new ATOM 0 HE3 LYS A 84 18.644 6.742 0.513 1.00 74.52 H new ATOM 0 HZ1 LYS A 84 18.803 7.162 2.659 1.00 21.13 H new ATOM 0 HZ2 LYS A 84 17.169 7.600 2.805 1.00 21.13 H new ATOM 0 HZ3 LYS A 84 17.622 5.966 2.898 1.00 21.13 H new ATOM 1345 N GLU A 85 15.682 4.306 -2.961 1.00 72.01 N ATOM 1346 CA GLU A 85 16.575 3.519 -3.807 1.00 74.30 C ATOM 1347 C GLU A 85 16.174 3.638 -5.285 1.00 74.12 C ATOM 1348 O GLU A 85 17.020 3.920 -6.132 1.00 24.01 O ATOM 1349 CB GLU A 85 16.584 2.062 -3.351 1.00 70.01 C ATOM 1350 CG GLU A 85 17.180 1.890 -1.952 1.00 3.13 C ATOM 1351 CD GLU A 85 18.698 1.726 -1.970 1.00 55.31 C ATOM 1352 OE1 GLU A 85 19.426 2.738 -2.084 1.00 64.24 O ATOM 1353 OE2 GLU A 85 19.166 0.575 -1.823 1.00 24.22 O ATOM 0 H GLU A 85 15.319 3.778 -2.167 1.00 72.01 H new ATOM 0 HA GLU A 85 17.586 3.913 -3.709 1.00 74.30 H new ATOM 0 HB2 GLU A 85 15.565 1.676 -3.358 1.00 70.01 H new ATOM 0 HB3 GLU A 85 17.156 1.466 -4.062 1.00 70.01 H new ATOM 0 HG2 GLU A 85 16.920 2.756 -1.343 1.00 3.13 H new ATOM 0 HG3 GLU A 85 16.731 1.019 -1.476 1.00 3.13 H new ATOM 1360 N GLU A 86 14.887 3.449 -5.595 1.00 32.51 N ATOM 1361 CA GLU A 86 14.364 3.533 -6.953 1.00 50.42 C ATOM 1362 C GLU A 86 14.146 5.007 -7.301 1.00 73.41 C ATOM 1363 O GLU A 86 14.774 5.532 -8.221 1.00 31.43 O ATOM 1364 CB GLU A 86 13.039 2.758 -7.099 1.00 55.21 C ATOM 1365 CG GLU A 86 13.073 1.305 -6.614 1.00 35.45 C ATOM 1366 CD GLU A 86 13.825 0.350 -7.526 1.00 14.21 C ATOM 1367 OE1 GLU A 86 13.319 0.065 -8.635 1.00 33.31 O ATOM 1368 OE2 GLU A 86 14.827 -0.264 -7.097 1.00 53.33 O ATOM 0 H GLU A 86 14.175 3.231 -4.898 1.00 32.51 H new ATOM 0 HA GLU A 86 15.084 3.082 -7.636 1.00 50.42 H new ATOM 0 HB2 GLU A 86 12.264 3.290 -6.547 1.00 55.21 H new ATOM 0 HB3 GLU A 86 12.746 2.766 -8.149 1.00 55.21 H new ATOM 0 HG2 GLU A 86 13.530 1.277 -5.625 1.00 35.45 H new ATOM 0 HG3 GLU A 86 12.049 0.949 -6.503 1.00 35.45 H new ATOM 1375 N LEU A 87 13.249 5.674 -6.563 1.00 74.34 N ATOM 1376 CA LEU A 87 12.634 6.934 -6.982 1.00 44.21 C ATOM 1377 C LEU A 87 13.414 8.167 -6.556 1.00 43.14 C ATOM 1378 O LEU A 87 13.205 9.231 -7.131 1.00 43.55 O ATOM 1379 CB LEU A 87 11.260 7.147 -6.327 1.00 13.52 C ATOM 1380 CG LEU A 87 10.267 5.988 -6.319 1.00 25.02 C ATOM 1381 CD1 LEU A 87 9.139 6.345 -5.349 1.00 65.23 C ATOM 1382 CD2 LEU A 87 9.693 5.743 -7.710 1.00 1.32 C ATOM 0 H LEU A 87 12.929 5.349 -5.651 1.00 74.34 H new ATOM 0 HA LEU A 87 12.591 6.837 -8.067 1.00 44.21 H new ATOM 0 HB2 LEU A 87 11.429 7.445 -5.292 1.00 13.52 H new ATOM 0 HB3 LEU A 87 10.782 7.989 -6.827 1.00 13.52 H new ATOM 0 HG LEU A 87 10.775 5.075 -6.008 1.00 25.02 H new ATOM 0 HD11 LEU A 87 8.412 5.533 -5.322 1.00 65.23 H new ATOM 0 HD12 LEU A 87 9.551 6.496 -4.351 1.00 65.23 H new ATOM 0 HD13 LEU A 87 8.649 7.260 -5.682 1.00 65.23 H new ATOM 0 HD21 LEU A 87 8.989 4.912 -7.672 1.00 1.32 H new ATOM 0 HD22 LEU A 87 9.177 6.640 -8.054 1.00 1.32 H new ATOM 0 HD23 LEU A 87 10.502 5.502 -8.400 1.00 1.32 H new ATOM 1394 N GLY A 88 14.181 8.072 -5.475 1.00 73.32 N ATOM 1395 CA GLY A 88 14.691 9.213 -4.745 1.00 23.01 C ATOM 1396 C GLY A 88 13.565 10.039 -4.124 1.00 32.50 C ATOM 1397 O GLY A 88 13.585 11.263 -4.276 1.00 53.14 O ATOM 0 H GLY A 88 14.468 7.177 -5.078 1.00 73.32 H new ATOM 0 HA2 GLY A 88 15.366 8.871 -3.960 1.00 23.01 H new ATOM 0 HA3 GLY A 88 15.276 9.842 -5.416 1.00 23.01 H new ATOM 1401 N PHE A 89 12.583 9.412 -3.452 1.00 53.05 N ATOM 1402 CA PHE A 89 11.812 10.090 -2.415 1.00 73.23 C ATOM 1403 C PHE A 89 12.572 10.014 -1.094 1.00 0.42 C ATOM 1404 O PHE A 89 12.594 8.983 -0.410 1.00 75.04 O ATOM 1405 CB PHE A 89 10.385 9.546 -2.235 1.00 50.32 C ATOM 1406 CG PHE A 89 9.672 10.077 -0.994 1.00 21.12 C ATOM 1407 CD1 PHE A 89 9.672 11.452 -0.671 1.00 62.44 C ATOM 1408 CD2 PHE A 89 9.069 9.169 -0.104 1.00 24.21 C ATOM 1409 CE1 PHE A 89 9.087 11.902 0.528 1.00 43.23 C ATOM 1410 CE2 PHE A 89 8.440 9.622 1.064 1.00 1.20 C ATOM 1411 CZ PHE A 89 8.432 10.989 1.371 1.00 10.25 C ATOM 0 H PHE A 89 12.312 8.442 -3.613 1.00 53.05 H new ATOM 0 HA PHE A 89 11.695 11.124 -2.739 1.00 73.23 H new ATOM 0 HB2 PHE A 89 9.796 9.800 -3.117 1.00 50.32 H new ATOM 0 HB3 PHE A 89 10.426 8.458 -2.181 1.00 50.32 H new ATOM 0 HD1 PHE A 89 10.123 12.162 -1.348 1.00 62.44 H new ATOM 0 HD2 PHE A 89 9.091 8.112 -0.323 1.00 24.21 H new ATOM 0 HE1 PHE A 89 9.142 12.946 0.799 1.00 43.23 H new ATOM 0 HE2 PHE A 89 7.961 8.917 1.728 1.00 1.20 H new ATOM 0 HZ PHE A 89 7.922 11.341 2.256 1.00 10.25 H new ATOM 1567 N ARG A 100 -0.785 11.326 9.980 1.00 45.12 N ATOM 1568 CA ARG A 100 -1.525 11.739 8.782 1.00 4.43 C ATOM 1569 C ARG A 100 -0.742 11.634 7.473 1.00 5.02 C ATOM 1570 O ARG A 100 -1.334 11.862 6.416 1.00 34.44 O ATOM 1571 CB ARG A 100 -2.106 13.158 8.956 1.00 33.05 C ATOM 1572 CG ARG A 100 -3.503 13.140 9.602 1.00 5.55 C ATOM 1573 CD ARG A 100 -4.400 14.259 9.066 1.00 44.45 C ATOM 1574 NE ARG A 100 -4.723 14.070 7.643 1.00 22.43 N ATOM 1575 CZ ARG A 100 -4.543 14.928 6.633 1.00 73.42 C ATOM 1576 NH1 ARG A 100 -3.871 16.061 6.788 1.00 32.51 N ATOM 1577 NH2 ARG A 100 -5.034 14.633 5.439 1.00 42.10 N ATOM 0 HA ARG A 100 -2.336 11.017 8.689 1.00 4.43 H new ATOM 0 HB2 ARG A 100 -1.431 13.752 9.572 1.00 33.05 H new ATOM 0 HB3 ARG A 100 -2.164 13.647 7.983 1.00 33.05 H new ATOM 0 HG2 ARG A 100 -3.976 12.176 9.415 1.00 5.55 H new ATOM 0 HG3 ARG A 100 -3.404 13.242 10.683 1.00 5.55 H new ATOM 0 HD2 ARG A 100 -5.322 14.294 9.646 1.00 44.45 H new ATOM 0 HD3 ARG A 100 -3.902 15.219 9.201 1.00 44.45 H new ATOM 0 HE ARG A 100 -5.136 13.171 7.396 1.00 22.43 H new ATOM 0 HH11 ARG A 100 -3.474 16.298 7.697 1.00 32.51 H new ATOM 0 HH12 ARG A 100 -3.751 16.695 5.998 1.00 32.51 H new ATOM 0 HH21 ARG A 100 -5.542 13.760 5.298 1.00 42.10 H new ATOM 0 HH22 ARG A 100 -4.904 15.279 4.660 1.00 42.10 H new ATOM 1591 N LYS A 101 0.554 11.312 7.462 1.00 24.20 N ATOM 1592 CA LYS A 101 1.334 11.261 6.215 1.00 74.50 C ATOM 1593 C LYS A 101 2.377 10.167 6.185 1.00 51.21 C ATOM 1594 O LYS A 101 2.677 9.647 5.112 1.00 34.03 O ATOM 1595 CB LYS A 101 1.932 12.639 5.946 1.00 63.20 C ATOM 1596 CG LYS A 101 3.105 13.075 6.830 1.00 43.25 C ATOM 1597 CD LYS A 101 3.177 14.610 6.840 1.00 75.22 C ATOM 1598 CE LYS A 101 3.630 15.297 5.554 1.00 1.04 C ATOM 1599 NZ LYS A 101 4.963 14.867 5.112 1.00 53.02 N ATOM 0 H LYS A 101 1.088 11.082 8.300 1.00 24.20 H new ATOM 0 HA LYS A 101 0.651 10.996 5.408 1.00 74.50 H new ATOM 0 HB2 LYS A 101 2.262 12.668 4.908 1.00 63.20 H new ATOM 0 HB3 LYS A 101 1.138 13.378 6.049 1.00 63.20 H new ATOM 0 HG2 LYS A 101 2.974 12.697 7.844 1.00 43.25 H new ATOM 0 HG3 LYS A 101 4.038 12.656 6.452 1.00 43.25 H new ATOM 0 HD2 LYS A 101 2.189 14.993 7.097 1.00 75.22 H new ATOM 0 HD3 LYS A 101 3.854 14.911 7.640 1.00 75.22 H new ATOM 0 HE2 LYS A 101 2.907 15.091 4.764 1.00 1.04 H new ATOM 0 HE3 LYS A 101 3.635 16.376 5.707 1.00 1.04 H new ATOM 0 HZ1 LYS A 101 5.238 15.403 4.264 1.00 53.02 H new ATOM 0 HZ2 LYS A 101 5.653 15.041 5.870 1.00 53.02 H new ATOM 0 HZ3 LYS A 101 4.944 13.852 4.888 1.00 53.02 H new ATOM 1613 N THR A 102 2.879 9.769 7.346 1.00 42.41 N ATOM 1614 CA THR A 102 3.686 8.560 7.442 1.00 50.12 C ATOM 1615 C THR A 102 2.907 7.389 6.850 1.00 34.31 C ATOM 1616 O THR A 102 3.459 6.639 6.055 1.00 75.14 O ATOM 1617 CB THR A 102 4.160 8.290 8.879 1.00 65.24 C ATOM 1618 OG1 THR A 102 3.111 8.247 9.815 1.00 64.51 O ATOM 1619 CG2 THR A 102 5.153 9.362 9.314 1.00 11.44 C ATOM 0 H THR A 102 2.743 10.261 8.229 1.00 42.41 H new ATOM 0 HA THR A 102 4.598 8.697 6.861 1.00 50.12 H new ATOM 0 HB THR A 102 4.628 7.306 8.861 1.00 65.24 H new ATOM 0 HG1 THR A 102 3.476 8.071 10.707 1.00 64.51 H new ATOM 0 HG21 THR A 102 5.482 9.161 10.333 1.00 11.44 H new ATOM 0 HG22 THR A 102 6.014 9.353 8.646 1.00 11.44 H new ATOM 0 HG23 THR A 102 4.673 10.340 9.274 1.00 11.44 H new ATOM 1627 N ARG A 103 1.600 7.274 7.128 1.00 73.00 N ATOM 1628 CA ARG A 103 0.802 6.159 6.620 1.00 32.22 C ATOM 1629 C ARG A 103 0.791 6.131 5.085 1.00 61.12 C ATOM 1630 O ARG A 103 1.069 5.072 4.521 1.00 3.14 O ATOM 1631 CB ARG A 103 -0.603 6.184 7.240 1.00 12.21 C ATOM 1632 CG ARG A 103 -0.600 6.206 8.785 1.00 31.20 C ATOM 1633 CD ARG A 103 -0.146 4.912 9.474 1.00 41.42 C ATOM 1634 NE ARG A 103 1.149 5.074 10.149 1.00 1.35 N ATOM 1635 CZ ARG A 103 1.379 5.182 11.460 1.00 2.24 C ATOM 1636 NH1 ARG A 103 0.425 5.060 12.372 1.00 53.12 N ATOM 1637 NH2 ARG A 103 2.614 5.399 11.882 1.00 2.10 N ATOM 0 H ARG A 103 1.079 7.939 7.700 1.00 73.00 H new ATOM 0 HA ARG A 103 1.266 5.221 6.927 1.00 32.22 H new ATOM 0 HB2 ARG A 103 -1.136 7.061 6.874 1.00 12.21 H new ATOM 0 HB3 ARG A 103 -1.157 5.309 6.899 1.00 12.21 H new ATOM 0 HG2 ARG A 103 0.048 7.017 9.116 1.00 31.20 H new ATOM 0 HG3 ARG A 103 -1.607 6.443 9.127 1.00 31.20 H new ATOM 0 HD2 ARG A 103 -0.898 4.605 10.201 1.00 41.42 H new ATOM 0 HD3 ARG A 103 -0.073 4.114 8.735 1.00 41.42 H new ATOM 0 HE ARG A 103 1.970 5.108 9.544 1.00 1.35 H new ATOM 0 HH11 ARG A 103 -0.536 4.875 12.083 1.00 53.12 H new ATOM 0 HH12 ARG A 103 0.652 5.151 13.362 1.00 53.12 H new ATOM 0 HH21 ARG A 103 3.376 5.482 11.209 1.00 2.10 H new ATOM 0 HH22 ARG A 103 2.804 5.484 12.881 1.00 2.10 H new ATOM 1651 N ARG A 104 0.583 7.271 4.403 1.00 34.34 N ATOM 1652 CA ARG A 104 0.762 7.404 2.945 1.00 12.41 C ATOM 1653 C ARG A 104 2.110 6.843 2.497 1.00 70.43 C ATOM 1654 O ARG A 104 2.143 6.009 1.593 1.00 45.42 O ATOM 1655 CB ARG A 104 0.601 8.874 2.488 1.00 63.34 C ATOM 1656 CG ARG A 104 -0.858 9.236 2.175 1.00 61.41 C ATOM 1657 CD ARG A 104 -1.141 10.749 2.187 1.00 23.22 C ATOM 1658 NE ARG A 104 -0.613 11.457 1.011 1.00 14.32 N ATOM 1659 CZ ARG A 104 -0.713 12.774 0.778 1.00 21.44 C ATOM 1660 NH1 ARG A 104 -1.158 13.611 1.713 1.00 53.24 N ATOM 1661 NH2 ARG A 104 -0.379 13.246 -0.411 1.00 43.24 N ATOM 0 H ARG A 104 0.283 8.136 4.853 1.00 34.34 H new ATOM 0 HA ARG A 104 -0.022 6.817 2.468 1.00 12.41 H new ATOM 0 HB2 ARG A 104 0.977 9.537 3.267 1.00 63.34 H new ATOM 0 HB3 ARG A 104 1.212 9.045 1.602 1.00 63.34 H new ATOM 0 HG2 ARG A 104 -1.120 8.835 1.196 1.00 61.41 H new ATOM 0 HG3 ARG A 104 -1.507 8.749 2.903 1.00 61.41 H new ATOM 0 HD2 ARG A 104 -2.218 10.908 2.243 1.00 23.22 H new ATOM 0 HD3 ARG A 104 -0.707 11.184 3.087 1.00 23.22 H new ATOM 0 HE ARG A 104 -0.128 10.897 0.310 1.00 14.32 H new ATOM 0 HH11 ARG A 104 -1.431 13.254 2.629 1.00 53.24 H new ATOM 0 HH12 ARG A 104 -1.226 14.609 1.514 1.00 53.24 H new ATOM 0 HH21 ARG A 104 -0.050 12.611 -1.138 1.00 43.24 H new ATOM 0 HH22 ARG A 104 -0.450 14.246 -0.601 1.00 43.24 H new ATOM 1675 N ALA A 105 3.214 7.261 3.117 1.00 4.43 N ATOM 1676 CA ALA A 105 4.562 6.790 2.786 1.00 14.45 C ATOM 1677 C ALA A 105 4.834 5.329 3.206 1.00 21.01 C ATOM 1678 O ALA A 105 5.853 4.767 2.797 1.00 41.44 O ATOM 1679 CB ALA A 105 5.580 7.730 3.424 1.00 11.15 C ATOM 0 H ALA A 105 3.198 7.945 3.873 1.00 4.43 H new ATOM 0 HA ALA A 105 4.652 6.800 1.700 1.00 14.45 H new ATOM 0 HB1 ALA A 105 6.588 7.391 3.185 1.00 11.15 H new ATOM 0 HB2 ALA A 105 5.436 8.739 3.038 1.00 11.15 H new ATOM 0 HB3 ALA A 105 5.445 7.733 4.506 1.00 11.15 H new ATOM 1685 N THR A 106 3.997 4.703 4.037 1.00 25.42 N ATOM 1686 CA THR A 106 4.138 3.306 4.446 1.00 40.50 C ATOM 1687 C THR A 106 3.431 2.390 3.441 1.00 43.24 C ATOM 1688 O THR A 106 4.000 1.362 3.066 1.00 61.30 O ATOM 1689 CB THR A 106 3.586 3.140 5.873 1.00 22.30 C ATOM 1690 OG1 THR A 106 4.306 3.951 6.779 1.00 4.34 O ATOM 1691 CG2 THR A 106 3.651 1.714 6.416 1.00 13.11 C ATOM 0 H THR A 106 3.187 5.163 4.452 1.00 25.42 H new ATOM 0 HA THR A 106 5.190 3.019 4.455 1.00 40.50 H new ATOM 0 HB THR A 106 2.538 3.430 5.793 1.00 22.30 H new ATOM 0 HG1 THR A 106 4.091 4.893 6.617 1.00 4.34 H new ATOM 0 HG21 THR A 106 3.241 1.690 7.426 1.00 13.11 H new ATOM 0 HG22 THR A 106 3.070 1.053 5.773 1.00 13.11 H new ATOM 0 HG23 THR A 106 4.688 1.380 6.437 1.00 13.11 H new ATOM 1699 N MET A 107 2.226 2.745 2.974 1.00 52.22 N ATOM 1700 CA MET A 107 1.553 1.964 1.933 1.00 13.41 C ATOM 1701 C MET A 107 2.373 1.974 0.641 1.00 50.30 C ATOM 1702 O MET A 107 2.512 0.942 -0.013 1.00 12.02 O ATOM 1703 CB MET A 107 0.108 2.435 1.688 1.00 15.14 C ATOM 1704 CG MET A 107 -0.056 3.931 1.392 1.00 13.33 C ATOM 1705 SD MET A 107 -1.683 4.503 0.836 1.00 51.12 S ATOM 1706 CE MET A 107 -2.771 3.844 2.125 1.00 21.43 C ATOM 0 H MET A 107 1.704 3.559 3.298 1.00 52.22 H new ATOM 0 HA MET A 107 1.484 0.936 2.289 1.00 13.41 H new ATOM 0 HB2 MET A 107 -0.303 1.869 0.852 1.00 15.14 H new ATOM 0 HB3 MET A 107 -0.490 2.188 2.565 1.00 15.14 H new ATOM 0 HG2 MET A 107 0.203 4.483 2.296 1.00 13.33 H new ATOM 0 HG3 MET A 107 0.675 4.205 0.631 1.00 13.33 H new ATOM 0 HE1 MET A 107 -3.719 4.381 2.110 1.00 21.43 H new ATOM 0 HE2 MET A 107 -2.951 2.785 1.943 1.00 21.43 H new ATOM 0 HE3 MET A 107 -2.298 3.969 3.099 1.00 21.43 H new ATOM 1716 N THR A 108 2.977 3.115 0.298 1.00 45.04 N ATOM 1717 CA THR A 108 3.748 3.256 -0.933 1.00 44.51 C ATOM 1718 C THR A 108 4.939 2.303 -0.951 1.00 70.45 C ATOM 1719 O THR A 108 5.171 1.647 -1.961 1.00 32.22 O ATOM 1720 CB THR A 108 4.171 4.722 -1.134 1.00 74.05 C ATOM 1721 OG1 THR A 108 4.196 5.418 0.074 1.00 30.31 O ATOM 1722 CG2 THR A 108 3.251 5.457 -2.104 1.00 64.13 C ATOM 0 H THR A 108 2.944 3.962 0.865 1.00 45.04 H new ATOM 0 HA THR A 108 3.114 2.978 -1.775 1.00 44.51 H new ATOM 0 HB THR A 108 5.176 4.689 -1.556 1.00 74.05 H new ATOM 0 HG1 THR A 108 3.293 5.733 0.289 1.00 30.31 H new ATOM 0 HG21 THR A 108 3.588 6.488 -2.215 1.00 64.13 H new ATOM 0 HG22 THR A 108 3.275 4.961 -3.074 1.00 64.13 H new ATOM 0 HG23 THR A 108 2.232 5.448 -1.717 1.00 64.13 H new ATOM 1730 N ASN A 109 5.651 2.163 0.171 1.00 22.21 N ATOM 1731 CA ASN A 109 6.760 1.222 0.332 1.00 72.44 C ATOM 1732 C ASN A 109 6.363 -0.199 -0.097 1.00 72.41 C ATOM 1733 O ASN A 109 7.102 -0.827 -0.858 1.00 25.34 O ATOM 1734 CB ASN A 109 7.284 1.300 1.784 1.00 32.42 C ATOM 1735 CG ASN A 109 7.740 -0.023 2.387 1.00 73.44 C ATOM 1736 OD1 ASN A 109 7.172 -0.459 3.382 1.00 52.22 O ATOM 1737 ND2 ASN A 109 8.745 -0.670 1.838 1.00 15.13 N ATOM 0 H ASN A 109 5.467 2.713 1.010 1.00 22.21 H new ATOM 0 HA ASN A 109 7.578 1.501 -0.332 1.00 72.44 H new ATOM 0 HB2 ASN A 109 8.119 2.000 1.814 1.00 32.42 H new ATOM 0 HB3 ASN A 109 6.497 1.715 2.414 1.00 32.42 H new ATOM 0 HD21 ASN A 109 9.065 -1.551 2.240 1.00 15.13 H new ATOM 0 HD22 ASN A 109 9.205 -0.291 1.010 1.00 15.13 H new ATOM 1744 N TRP A 110 5.210 -0.699 0.355 1.00 53.45 N ATOM 1745 CA TRP A 110 4.715 -2.011 -0.053 1.00 10.35 C ATOM 1746 C TRP A 110 4.400 -2.064 -1.548 1.00 33.01 C ATOM 1747 O TRP A 110 4.649 -3.102 -2.148 1.00 35.41 O ATOM 1748 CB TRP A 110 3.483 -2.403 0.773 1.00 43.00 C ATOM 1749 CG TRP A 110 2.836 -3.718 0.423 1.00 11.40 C ATOM 1750 CD1 TRP A 110 3.012 -4.903 1.058 1.00 71.50 C ATOM 1751 CD2 TRP A 110 1.757 -3.949 -0.538 1.00 12.01 C ATOM 1752 NE1 TRP A 110 2.188 -5.862 0.488 1.00 41.42 N ATOM 1753 CE2 TRP A 110 1.349 -5.313 -0.459 1.00 40.24 C ATOM 1754 CE3 TRP A 110 1.035 -3.120 -1.424 1.00 10.24 C ATOM 1755 CZ2 TRP A 110 0.285 -5.824 -1.221 1.00 20.21 C ATOM 1756 CZ3 TRP A 110 -0.038 -3.620 -2.185 1.00 53.51 C ATOM 1757 CH2 TRP A 110 -0.416 -4.968 -2.085 1.00 3.51 C ATOM 0 H TRP A 110 4.600 -0.208 1.009 1.00 53.45 H new ATOM 0 HA TRP A 110 5.510 -2.732 0.137 1.00 10.35 H new ATOM 0 HB2 TRP A 110 3.771 -2.432 1.824 1.00 43.00 H new ATOM 0 HB3 TRP A 110 2.736 -1.616 0.669 1.00 43.00 H new ATOM 0 HD1 TRP A 110 3.690 -5.074 1.881 1.00 71.50 H new ATOM 0 HE1 TRP A 110 2.201 -6.851 0.738 1.00 41.42 H new ATOM 0 HE3 TRP A 110 1.312 -2.081 -1.520 1.00 10.24 H new ATOM 0 HZ2 TRP A 110 0.009 -6.865 -1.143 1.00 20.21 H new ATOM 0 HZ3 TRP A 110 -0.575 -2.961 -2.851 1.00 53.51 H new ATOM 0 HH2 TRP A 110 -1.242 -5.345 -2.670 1.00 3.51 H new ATOM 1768 N LEU A 111 3.888 -0.988 -2.164 1.00 74.34 N ATOM 1769 CA LEU A 111 3.476 -1.029 -3.572 1.00 23.41 C ATOM 1770 C LEU A 111 4.685 -1.347 -4.455 1.00 75.35 C ATOM 1771 O LEU A 111 4.592 -2.217 -5.324 1.00 33.13 O ATOM 1772 CB LEU A 111 2.777 0.277 -4.015 1.00 3.20 C ATOM 1773 CG LEU A 111 1.351 0.455 -3.450 1.00 50.32 C ATOM 1774 CD1 LEU A 111 0.852 1.889 -3.672 1.00 43.33 C ATOM 1775 CD2 LEU A 111 0.336 -0.489 -4.105 1.00 41.14 C ATOM 0 H LEU A 111 3.751 -0.084 -1.711 1.00 74.34 H new ATOM 0 HA LEU A 111 2.738 -1.823 -3.687 1.00 23.41 H new ATOM 0 HB2 LEU A 111 3.387 1.125 -3.705 1.00 3.20 H new ATOM 0 HB3 LEU A 111 2.730 0.299 -5.104 1.00 3.20 H new ATOM 0 HG LEU A 111 1.423 0.224 -2.387 1.00 50.32 H new ATOM 0 HD11 LEU A 111 -0.154 1.991 -3.266 1.00 43.33 H new ATOM 0 HD12 LEU A 111 1.519 2.588 -3.168 1.00 43.33 H new ATOM 0 HD13 LEU A 111 0.836 2.108 -4.740 1.00 43.33 H new ATOM 0 HD21 LEU A 111 -0.650 -0.322 -3.671 1.00 41.14 H new ATOM 0 HD22 LEU A 111 0.298 -0.295 -5.177 1.00 41.14 H new ATOM 0 HD23 LEU A 111 0.637 -1.522 -3.934 1.00 41.14 H new ATOM 1787 N LEU A 112 5.828 -0.699 -4.192 1.00 63.33 N ATOM 1788 CA LEU A 112 7.073 -0.990 -4.906 1.00 52.52 C ATOM 1789 C LEU A 112 7.472 -2.445 -4.665 1.00 64.53 C ATOM 1790 O LEU A 112 7.713 -3.171 -5.619 1.00 74.23 O ATOM 1791 CB LEU A 112 8.227 -0.064 -4.484 1.00 73.44 C ATOM 1792 CG LEU A 112 7.947 1.443 -4.641 1.00 52.13 C ATOM 1793 CD1 LEU A 112 8.095 2.082 -3.263 1.00 20.43 C ATOM 1794 CD2 LEU A 112 8.888 2.158 -5.618 1.00 72.05 C ATOM 0 H LEU A 112 5.913 0.033 -3.487 1.00 63.33 H new ATOM 0 HA LEU A 112 6.887 -0.815 -5.966 1.00 52.52 H new ATOM 0 HB2 LEU A 112 8.471 -0.266 -3.441 1.00 73.44 H new ATOM 0 HB3 LEU A 112 9.109 -0.317 -5.072 1.00 73.44 H new ATOM 0 HG LEU A 112 6.944 1.548 -5.054 1.00 52.13 H new ATOM 0 HD11 LEU A 112 7.903 3.153 -3.336 1.00 20.43 H new ATOM 0 HD12 LEU A 112 7.380 1.631 -2.574 1.00 20.43 H new ATOM 0 HD13 LEU A 112 9.107 1.919 -2.893 1.00 20.43 H new ATOM 0 HD21 LEU A 112 8.624 3.214 -5.671 1.00 72.05 H new ATOM 0 HD22 LEU A 112 9.917 2.058 -5.271 1.00 72.05 H new ATOM 0 HD23 LEU A 112 8.794 1.711 -6.607 1.00 72.05 H new ATOM 1806 N ALA A 113 7.524 -2.886 -3.402 1.00 52.23 N ATOM 1807 CA ALA A 113 7.958 -4.232 -3.027 1.00 53.22 C ATOM 1808 C ALA A 113 7.097 -5.307 -3.700 1.00 3.43 C ATOM 1809 O ALA A 113 7.624 -6.312 -4.166 1.00 3.24 O ATOM 1810 CB ALA A 113 7.909 -4.374 -1.501 1.00 71.33 C ATOM 0 H ALA A 113 7.262 -2.308 -2.603 1.00 52.23 H new ATOM 0 HA ALA A 113 8.982 -4.377 -3.372 1.00 53.22 H new ATOM 0 HB1 ALA A 113 8.232 -5.376 -1.218 1.00 71.33 H new ATOM 0 HB2 ALA A 113 8.571 -3.637 -1.046 1.00 71.33 H new ATOM 0 HB3 ALA A 113 6.889 -4.210 -1.153 1.00 71.33 H new ATOM 1816 N TYR A 114 5.786 -5.094 -3.764 1.00 12.52 N ATOM 1817 CA TYR A 114 4.819 -5.978 -4.388 1.00 24.34 C ATOM 1818 C TYR A 114 5.036 -6.061 -5.895 1.00 0.23 C ATOM 1819 O TYR A 114 4.925 -7.143 -6.470 1.00 44.53 O ATOM 1820 CB TYR A 114 3.401 -5.477 -4.060 1.00 42.11 C ATOM 1821 CG TYR A 114 2.332 -6.043 -4.974 1.00 53.40 C ATOM 1822 CD1 TYR A 114 2.036 -7.418 -4.944 1.00 51.32 C ATOM 1823 CD2 TYR A 114 1.706 -5.208 -5.922 1.00 60.21 C ATOM 1824 CE1 TYR A 114 1.116 -7.962 -5.854 1.00 44.14 C ATOM 1825 CE2 TYR A 114 0.759 -5.737 -6.815 1.00 63.13 C ATOM 1826 CZ TYR A 114 0.461 -7.115 -6.776 1.00 74.15 C ATOM 1827 OH TYR A 114 -0.412 -7.628 -7.674 1.00 61.15 O ATOM 0 H TYR A 114 5.354 -4.262 -3.363 1.00 12.52 H new ATOM 0 HA TYR A 114 4.948 -6.986 -3.993 1.00 24.34 H new ATOM 0 HB2 TYR A 114 3.162 -5.738 -3.029 1.00 42.11 H new ATOM 0 HB3 TYR A 114 3.385 -4.389 -4.125 1.00 42.11 H new ATOM 0 HD1 TYR A 114 2.518 -8.057 -4.219 1.00 51.32 H new ATOM 0 HD2 TYR A 114 1.955 -4.158 -5.962 1.00 60.21 H new ATOM 0 HE1 TYR A 114 0.910 -9.022 -5.849 1.00 44.14 H new ATOM 0 HE2 TYR A 114 0.263 -5.093 -7.526 1.00 63.13 H new ATOM 0 HH TYR A 114 -0.771 -6.906 -8.230 1.00 61.15 H new ATOM 1837 N ARG A 115 5.265 -4.923 -6.560 1.00 0.22 N ATOM 1838 CA ARG A 115 5.601 -4.928 -7.981 1.00 24.13 C ATOM 1839 C ARG A 115 6.867 -5.728 -8.230 1.00 51.32 C ATOM 1840 O ARG A 115 6.908 -6.577 -9.130 1.00 21.33 O ATOM 1841 CB ARG A 115 5.793 -3.476 -8.459 1.00 71.21 C ATOM 1842 CG ARG A 115 6.008 -3.397 -9.976 1.00 63.13 C ATOM 1843 CD ARG A 115 6.633 -2.068 -10.412 1.00 25.43 C ATOM 1844 NE ARG A 115 8.098 -2.055 -10.218 1.00 51.13 N ATOM 1845 CZ ARG A 115 9.041 -2.540 -11.041 1.00 21.24 C ATOM 1846 NH1 ARG A 115 8.729 -3.268 -12.105 1.00 51.04 N ATOM 1847 NH2 ARG A 115 10.323 -2.309 -10.805 1.00 22.53 N ATOM 0 H ARG A 115 5.223 -3.996 -6.138 1.00 0.22 H new ATOM 0 HA ARG A 115 4.789 -5.395 -8.537 1.00 24.13 H new ATOM 0 HB2 ARG A 115 4.919 -2.885 -8.185 1.00 71.21 H new ATOM 0 HB3 ARG A 115 6.649 -3.036 -7.948 1.00 71.21 H new ATOM 0 HG2 ARG A 115 6.652 -4.218 -10.292 1.00 63.13 H new ATOM 0 HG3 ARG A 115 5.052 -3.529 -10.482 1.00 63.13 H new ATOM 0 HD2 ARG A 115 6.405 -1.887 -11.462 1.00 25.43 H new ATOM 0 HD3 ARG A 115 6.185 -1.253 -9.844 1.00 25.43 H new ATOM 0 HE ARG A 115 8.433 -1.626 -9.355 1.00 51.13 H new ATOM 0 HH11 ARG A 115 7.752 -3.472 -12.315 1.00 51.04 H new ATOM 0 HH12 ARG A 115 9.466 -3.624 -12.713 1.00 51.04 H new ATOM 0 HH21 ARG A 115 10.601 -1.759 -9.992 1.00 22.53 H new ATOM 0 HH22 ARG A 115 11.033 -2.681 -11.436 1.00 22.53 H new ATOM 1861 N ARG A 116 7.923 -5.354 -7.516 1.00 21.41 N ATOM 1862 CA ARG A 116 9.270 -5.725 -7.757 1.00 23.52 C ATOM 1863 C ARG A 116 9.435 -7.224 -7.564 1.00 33.03 C ATOM 1864 O ARG A 116 10.017 -7.872 -8.423 1.00 72.51 O ATOM 1865 CB ARG A 116 9.998 -4.821 -6.773 1.00 31.45 C ATOM 1866 CG ARG A 116 11.447 -5.134 -6.693 1.00 1.22 C ATOM 1867 CD ARG A 116 12.137 -5.084 -8.057 1.00 72.41 C ATOM 1868 NE ARG A 116 13.576 -5.289 -7.977 1.00 12.51 N ATOM 1869 CZ ARG A 116 14.405 -5.259 -9.019 1.00 23.43 C ATOM 1870 NH1 ARG A 116 13.938 -5.190 -10.262 1.00 1.44 N ATOM 1871 NH2 ARG A 116 15.707 -5.272 -8.779 1.00 5.11 N ATOM 0 H ARG A 116 7.830 -4.743 -6.704 1.00 21.41 H new ATOM 0 HA ARG A 116 9.658 -5.586 -8.766 1.00 23.52 H new ATOM 0 HB2 ARG A 116 9.868 -3.781 -7.073 1.00 31.45 H new ATOM 0 HB3 ARG A 116 9.550 -4.926 -5.785 1.00 31.45 H new ATOM 0 HG2 ARG A 116 11.931 -4.427 -6.019 1.00 1.22 H new ATOM 0 HG3 ARG A 116 11.577 -6.126 -6.261 1.00 1.22 H new ATOM 0 HD2 ARG A 116 11.703 -5.845 -8.705 1.00 72.41 H new ATOM 0 HD3 ARG A 116 11.939 -4.119 -8.523 1.00 72.41 H new ATOM 0 HE ARG A 116 13.978 -5.468 -7.057 1.00 12.51 H new ATOM 0 HH11 ARG A 116 12.932 -5.159 -10.428 1.00 1.44 H new ATOM 0 HH12 ARG A 116 14.586 -5.168 -11.050 1.00 1.44 H new ATOM 0 HH21 ARG A 116 16.048 -5.304 -7.818 1.00 5.11 H new ATOM 0 HH22 ARG A 116 16.369 -5.250 -9.555 1.00 5.11 H new ATOM 1885 N SER A 117 8.859 -7.785 -6.500 1.00 65.54 N ATOM 1886 CA SER A 117 9.007 -9.208 -6.175 1.00 12.03 C ATOM 1887 C SER A 117 8.570 -10.129 -7.316 1.00 73.32 C ATOM 1888 O SER A 117 9.039 -11.261 -7.419 1.00 40.20 O ATOM 1889 CB SER A 117 8.206 -9.483 -4.903 1.00 21.34 C ATOM 1890 OG SER A 117 6.796 -9.541 -5.083 1.00 4.41 O ATOM 0 H SER A 117 8.278 -7.269 -5.839 1.00 65.54 H new ATOM 0 HA SER A 117 10.063 -9.426 -6.019 1.00 12.03 H new ATOM 0 HB2 SER A 117 8.542 -10.428 -4.477 1.00 21.34 H new ATOM 0 HB3 SER A 117 8.433 -8.706 -4.173 1.00 21.34 H new ATOM 0 HG SER A 117 6.364 -9.722 -4.222 1.00 4.41 H new ATOM 1896 N GLN A 118 7.674 -9.627 -8.168 1.00 32.00 N ATOM 1897 CA GLN A 118 7.127 -10.370 -9.304 1.00 3.34 C ATOM 1898 C GLN A 118 8.177 -10.745 -10.358 1.00 21.34 C ATOM 1899 O GLN A 118 7.869 -11.572 -11.220 1.00 51.20 O ATOM 1900 CB GLN A 118 6.014 -9.578 -9.999 1.00 22.30 C ATOM 1901 CG GLN A 118 4.781 -9.357 -9.115 1.00 63.42 C ATOM 1902 CD GLN A 118 3.846 -8.283 -9.662 1.00 72.45 C ATOM 1903 OE1 GLN A 118 3.944 -7.821 -10.797 1.00 1.32 O ATOM 1904 NE2 GLN A 118 2.930 -7.824 -8.828 1.00 32.21 N ATOM 0 H GLN A 118 7.303 -8.680 -8.087 1.00 32.00 H new ATOM 0 HA GLN A 118 6.735 -11.292 -8.874 1.00 3.34 H new ATOM 0 HB2 GLN A 118 6.407 -8.610 -10.310 1.00 22.30 H new ATOM 0 HB3 GLN A 118 5.713 -10.106 -10.904 1.00 22.30 H new ATOM 0 HG2 GLN A 118 4.234 -10.295 -9.021 1.00 63.42 H new ATOM 0 HG3 GLN A 118 5.104 -9.075 -8.113 1.00 63.42 H new ATOM 0 HE21 GLN A 118 2.855 -8.213 -7.888 1.00 32.21 H new ATOM 0 HE22 GLN A 118 2.297 -7.081 -9.124 1.00 32.21 H new