USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 660 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 38 THR OG1 : rot -76:sc= 1.01 USER MOD Set 1.2: A 71 MET CE :methyl 152:sc= -0.23 (180deg=-2.82!) USER MOD Set 2.1: A 43 ASN : amide:sc= -0.524! C(o=0.063!,f=-14!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ 159:sc= 0.588 (180deg=-0.0153) USER MOD Single : A 7 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 21 TYR OH : rot 120:sc= -0.223 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.63 F(o=-2!,f=-0.63) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -165:sc= -0.102 (180deg=-0.457) USER MOD Single : A 87 HIS : no HD1:sc= -0.345 X(o=-0.34,f=-0.11) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.846 F(o=-2.3,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 59 N VAL A 6 12.485 -9.376 2.075 1.00 42.23 N ATOM 60 CA VAL A 6 12.842 -10.750 1.721 1.00 64.21 C ATOM 61 C VAL A 6 13.316 -10.792 0.276 1.00 41.01 C ATOM 62 O VAL A 6 13.300 -9.773 -0.416 1.00 75.33 O ATOM 63 CB VAL A 6 11.644 -11.726 1.895 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.281 -11.901 3.370 1.00 60.22 C ATOM 65 CG2 VAL A 6 10.433 -11.248 1.095 1.00 11.52 C ATOM 0 HA VAL A 6 13.637 -11.071 2.395 1.00 64.21 H new ATOM 0 HB VAL A 6 11.949 -12.698 1.508 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.440 -12.589 3.459 1.00 60.22 H new ATOM 0 HG12 VAL A 6 12.138 -12.304 3.910 1.00 60.22 H new ATOM 0 HG13 VAL A 6 11.006 -10.935 3.794 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.608 -11.947 1.232 1.00 11.52 H new ATOM 0 HG22 VAL A 6 10.134 -10.260 1.444 1.00 11.52 H new ATOM 0 HG23 VAL A 6 10.693 -11.196 0.038 1.00 11.52 H new ATOM 75 N ASN A 7 13.751 -11.962 -0.167 1.00 53.22 N ATOM 76 CA ASN A 7 14.159 -12.152 -1.556 1.00 71.21 C ATOM 77 C ASN A 7 13.005 -11.829 -2.504 1.00 44.52 C ATOM 78 O ASN A 7 11.845 -12.126 -2.204 1.00 33.22 O ATOM 79 CB ASN A 7 14.652 -13.589 -1.764 1.00 54.12 C ATOM 80 CG ASN A 7 16.159 -13.732 -1.613 1.00 14.33 C ATOM 81 OD1 ASN A 7 16.918 -12.817 -1.940 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.603 -14.879 -1.120 1.00 52.12 N ATOM 0 H ASN A 7 13.832 -12.797 0.414 1.00 53.22 H new ATOM 0 HA ASN A 7 14.978 -11.468 -1.780 1.00 71.21 H new ATOM 0 HB2 ASN A 7 14.157 -14.244 -1.046 1.00 54.12 H new ATOM 0 HB3 ASN A 7 14.359 -13.927 -2.758 1.00 54.12 H new ATOM 0 HD21 ASN A 7 17.605 -15.029 -0.999 1.00 52.12 H new ATOM 0 HD22 ASN A 7 15.943 -15.612 -0.861 1.00 52.12 H new ATOM 89 N ALA A 8 13.344 -11.234 -3.649 1.00 60.32 N ATOM 90 CA ALA A 8 12.362 -10.751 -4.624 1.00 3.34 C ATOM 91 C ALA A 8 11.225 -11.752 -4.843 1.00 60.24 C ATOM 92 O ALA A 8 10.048 -11.396 -4.762 1.00 14.22 O ATOM 93 CB ALA A 8 13.052 -10.433 -5.949 1.00 31.02 C ATOM 0 H ALA A 8 14.312 -11.072 -3.928 1.00 60.32 H new ATOM 0 HA ALA A 8 11.918 -9.842 -4.219 1.00 3.34 H new ATOM 0 HB1 ALA A 8 12.314 -10.075 -6.667 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.807 -9.663 -5.790 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.528 -11.334 -6.337 1.00 31.02 H new ATOM 99 N PHE A 9 11.590 -13.005 -5.099 1.00 32.01 N ATOM 100 CA PHE A 9 10.613 -14.063 -5.343 1.00 51.44 C ATOM 101 C PHE A 9 9.622 -14.160 -4.190 1.00 64.40 C ATOM 102 O PHE A 9 8.412 -14.062 -4.389 1.00 61.22 O ATOM 103 CB PHE A 9 11.336 -15.403 -5.532 1.00 13.33 C ATOM 104 CG PHE A 9 10.426 -16.585 -5.791 1.00 33.31 C ATOM 105 CD1 PHE A 9 9.755 -16.714 -6.997 1.00 74.23 C ATOM 106 CD2 PHE A 9 10.262 -17.578 -4.835 1.00 60.44 C ATOM 107 CE1 PHE A 9 8.946 -17.806 -7.243 1.00 51.30 C ATOM 108 CE2 PHE A 9 9.450 -18.669 -5.077 1.00 44.20 C ATOM 109 CZ PHE A 9 8.792 -18.783 -6.282 1.00 62.30 C ATOM 0 H PHE A 9 12.561 -13.314 -5.143 1.00 32.01 H new ATOM 0 HA PHE A 9 10.058 -13.822 -6.250 1.00 51.44 H new ATOM 0 HB2 PHE A 9 12.033 -15.309 -6.365 1.00 13.33 H new ATOM 0 HB3 PHE A 9 11.930 -15.608 -4.641 1.00 13.33 H new ATOM 0 HD1 PHE A 9 9.866 -15.951 -7.754 1.00 74.23 H new ATOM 0 HD2 PHE A 9 10.776 -17.496 -3.889 1.00 60.44 H new ATOM 0 HE1 PHE A 9 8.433 -17.895 -8.189 1.00 51.30 H new ATOM 0 HE2 PHE A 9 9.331 -19.432 -4.322 1.00 44.20 H new ATOM 0 HZ PHE A 9 8.157 -19.635 -6.474 1.00 62.30 H new ATOM 119 N LEU A 10 10.156 -14.308 -2.984 1.00 11.31 N ATOM 120 CA LEU A 10 9.345 -14.544 -1.796 1.00 65.43 C ATOM 121 C LEU A 10 8.379 -13.387 -1.548 1.00 12.34 C ATOM 122 O LEU A 10 7.230 -13.603 -1.163 1.00 22.41 O ATOM 123 CB LEU A 10 10.240 -14.779 -0.567 1.00 53.03 C ATOM 124 CG LEU A 10 11.033 -16.100 -0.562 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.090 -17.287 -0.727 1.00 60.00 C ATOM 126 CD2 LEU A 10 12.113 -16.112 -1.643 1.00 5.43 C ATOM 0 H LEU A 10 11.159 -14.268 -2.802 1.00 11.31 H new ATOM 0 HA LEU A 10 8.752 -15.443 -1.967 1.00 65.43 H new ATOM 0 HB2 LEU A 10 10.946 -13.952 -0.491 1.00 53.03 H new ATOM 0 HB3 LEU A 10 9.616 -14.748 0.326 1.00 53.03 H new ATOM 0 HG LEU A 10 11.535 -16.184 0.402 1.00 71.33 H new ATOM 0 HD11 LEU A 10 10.666 -18.213 -0.721 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.374 -17.300 0.095 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.555 -17.198 -1.673 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.651 -17.059 -1.609 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.649 -15.993 -2.622 1.00 5.43 H new ATOM 0 HD23 LEU A 10 12.810 -15.292 -1.470 1.00 5.43 H new ATOM 138 N ALA A 11 8.851 -12.166 -1.781 1.00 51.23 N ATOM 139 CA ALA A 11 8.007 -10.982 -1.655 1.00 43.20 C ATOM 140 C ALA A 11 6.788 -11.099 -2.573 1.00 60.02 C ATOM 141 O ALA A 11 5.641 -10.891 -2.150 1.00 21.33 O ATOM 142 CB ALA A 11 8.811 -9.729 -1.986 1.00 15.33 C ATOM 0 H ALA A 11 9.813 -11.970 -2.058 1.00 51.23 H new ATOM 0 HA ALA A 11 7.655 -10.907 -0.626 1.00 43.20 H new ATOM 0 HB1 ALA A 11 8.173 -8.851 -1.889 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.652 -9.644 -1.298 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.184 -9.795 -3.008 1.00 15.33 H new ATOM 148 N LYS A 12 7.045 -11.461 -3.828 1.00 75.22 N ATOM 149 CA LYS A 12 5.984 -11.619 -4.814 1.00 3.03 C ATOM 150 C LYS A 12 5.042 -12.731 -4.402 1.00 75.15 C ATOM 151 O LYS A 12 3.838 -12.631 -4.606 1.00 72.25 O ATOM 152 CB LYS A 12 6.558 -11.937 -6.198 1.00 62.31 C ATOM 153 CG LYS A 12 7.635 -10.971 -6.649 1.00 64.45 C ATOM 154 CD LYS A 12 7.148 -9.522 -6.620 1.00 25.11 C ATOM 155 CE LYS A 12 8.258 -8.543 -6.978 1.00 55.23 C ATOM 156 NZ LYS A 12 7.788 -7.132 -6.946 1.00 30.21 N ATOM 0 H LYS A 12 7.982 -11.650 -4.185 1.00 75.22 H new ATOM 0 HA LYS A 12 5.440 -10.676 -4.865 1.00 3.03 H new ATOM 0 HB2 LYS A 12 6.969 -12.946 -6.188 1.00 62.31 H new ATOM 0 HB3 LYS A 12 5.748 -11.930 -6.927 1.00 62.31 H new ATOM 0 HG2 LYS A 12 8.508 -11.074 -6.005 1.00 64.45 H new ATOM 0 HG3 LYS A 12 7.953 -11.227 -7.660 1.00 64.45 H new ATOM 0 HD2 LYS A 12 6.320 -9.403 -7.319 1.00 25.11 H new ATOM 0 HD3 LYS A 12 6.764 -9.288 -5.627 1.00 25.11 H new ATOM 0 HE2 LYS A 12 9.087 -8.665 -6.281 1.00 55.23 H new ATOM 0 HE3 LYS A 12 8.640 -8.776 -7.972 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 8.574 -6.498 -7.196 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 7.014 -7.008 -7.629 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 7.447 -6.901 -5.991 1.00 30.21 H new ATOM 170 N ILE A 13 5.601 -13.788 -3.818 1.00 44.14 N ATOM 171 CA ILE A 13 4.805 -14.935 -3.409 1.00 31.13 C ATOM 172 C ILE A 13 3.831 -14.535 -2.300 1.00 54.15 C ATOM 173 O ILE A 13 2.634 -14.814 -2.382 1.00 11.24 O ATOM 174 CB ILE A 13 5.681 -16.109 -2.909 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.673 -16.554 -3.992 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.809 -17.292 -2.471 1.00 34.00 C ATOM 177 CD1 ILE A 13 6.018 -17.071 -5.251 1.00 1.42 C ATOM 0 H ILE A 13 6.598 -13.871 -3.619 1.00 44.14 H new ATOM 0 HA ILE A 13 4.258 -15.270 -4.290 1.00 31.13 H new ATOM 0 HB ILE A 13 6.247 -15.758 -2.047 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.316 -15.712 -4.249 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.316 -17.333 -3.583 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.447 -18.105 -2.124 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.149 -16.978 -1.663 1.00 34.00 H new ATOM 0 HG23 ILE A 13 4.211 -17.635 -3.315 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.786 -17.365 -5.966 1.00 1.42 H new ATOM 0 HD12 ILE A 13 5.397 -17.934 -5.010 1.00 1.42 H new ATOM 0 HD13 ILE A 13 5.397 -16.288 -5.686 1.00 1.42 H new ATOM 189 N ALA A 14 4.358 -13.879 -1.266 1.00 10.43 N ATOM 190 CA ALA A 14 3.548 -13.422 -0.145 1.00 65.03 C ATOM 191 C ALA A 14 2.442 -12.487 -0.627 1.00 45.24 C ATOM 192 O ALA A 14 1.286 -12.622 -0.224 1.00 22.51 O ATOM 193 CB ALA A 14 4.427 -12.730 0.896 1.00 21.21 C ATOM 0 H ALA A 14 5.349 -13.653 -1.185 1.00 10.43 H new ATOM 0 HA ALA A 14 3.079 -14.289 0.321 1.00 65.03 H new ATOM 0 HB1 ALA A 14 3.809 -12.393 1.728 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.178 -13.430 1.262 1.00 21.21 H new ATOM 0 HB3 ALA A 14 4.922 -11.872 0.442 1.00 21.21 H new ATOM 199 N ALA A 15 2.802 -11.552 -1.506 1.00 74.24 N ATOM 200 CA ALA A 15 1.832 -10.623 -2.087 1.00 32.11 C ATOM 201 C ALA A 15 0.812 -11.366 -2.954 1.00 51.43 C ATOM 202 O ALA A 15 -0.381 -11.078 -2.913 1.00 74.42 O ATOM 203 CB ALA A 15 2.552 -9.550 -2.901 1.00 53.00 C ATOM 0 H ALA A 15 3.759 -11.417 -1.832 1.00 74.24 H new ATOM 0 HA ALA A 15 1.290 -10.140 -1.274 1.00 32.11 H new ATOM 0 HB1 ALA A 15 1.820 -8.865 -3.328 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.232 -8.997 -2.253 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.119 -10.022 -3.704 1.00 53.00 H new ATOM 209 N TRP A 16 1.302 -12.336 -3.719 1.00 42.31 N ATOM 210 CA TRP A 16 0.473 -13.154 -4.608 1.00 14.44 C ATOM 211 C TRP A 16 -0.561 -13.947 -3.807 1.00 61.31 C ATOM 212 O TRP A 16 -1.723 -14.066 -4.205 1.00 4.24 O ATOM 213 CB TRP A 16 1.394 -14.074 -5.438 1.00 24.40 C ATOM 214 CG TRP A 16 0.788 -15.366 -5.913 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.112 -15.544 -6.923 1.00 52.03 C ATOM 216 CD2 TRP A 16 1.084 -16.674 -5.404 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.403 -16.881 -7.065 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.324 -17.596 -6.141 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.922 -17.146 -4.393 1.00 71.50 C ATOM 220 CZ2 TRP A 16 0.380 -18.970 -5.893 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.975 -18.504 -4.148 1.00 2.41 C ATOM 222 CH2 TRP A 16 1.211 -19.403 -4.894 1.00 12.14 C ATOM 0 H TRP A 16 2.292 -12.581 -3.742 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.087 -12.514 -5.290 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.740 -13.517 -6.309 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.274 -14.308 -4.839 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.534 -14.751 -7.523 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.052 -17.278 -7.745 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.520 -16.460 -3.811 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.211 -19.666 -6.469 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.619 -18.877 -3.365 1.00 2.41 H new ATOM 0 HH2 TRP A 16 1.276 -20.459 -4.680 1.00 12.14 H new ATOM 233 N LEU A 17 -0.130 -14.469 -2.666 1.00 61.21 N ATOM 234 CA LEU A 17 -1.011 -15.206 -1.766 1.00 62.45 C ATOM 235 C LEU A 17 -1.993 -14.268 -1.067 1.00 2.03 C ATOM 236 O LEU A 17 -3.201 -14.524 -1.035 1.00 1.20 O ATOM 237 CB LEU A 17 -0.178 -15.991 -0.735 1.00 54.03 C ATOM 238 CG LEU A 17 -0.045 -17.492 -1.035 1.00 44.41 C ATOM 239 CD1 LEU A 17 1.054 -18.135 -0.190 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.383 -18.189 -0.801 1.00 20.20 C ATOM 0 H LEU A 17 0.833 -14.395 -2.339 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.593 -15.913 -2.358 1.00 62.45 H new ATOM 0 HB2 LEU A 17 0.819 -15.554 -0.683 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.631 -15.869 0.249 1.00 54.03 H new ATOM 0 HG LEU A 17 0.238 -17.608 -2.081 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.121 -19.197 -0.427 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.008 -17.654 -0.406 1.00 31.01 H new ATOM 0 HD13 LEU A 17 0.818 -18.014 0.867 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.282 -19.253 -1.016 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.686 -18.056 0.237 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -2.138 -17.757 -1.458 1.00 20.20 H new ATOM 252 N ASN A 18 -1.470 -13.172 -0.529 1.00 65.13 N ATOM 253 CA ASN A 18 -2.287 -12.202 0.196 1.00 45.11 C ATOM 254 C ASN A 18 -3.329 -11.577 -0.727 1.00 52.24 C ATOM 255 O ASN A 18 -4.430 -11.239 -0.298 1.00 12.31 O ATOM 256 CB ASN A 18 -1.400 -11.110 0.816 1.00 44.01 C ATOM 257 CG ASN A 18 -2.182 -10.077 1.619 1.00 55.42 C ATOM 258 OD1 ASN A 18 -3.273 -10.493 2.251 1.00 21.33 O flip ATOM 259 ND2 ASN A 18 -1.794 -8.910 1.685 1.00 62.40 N flip ATOM 0 H ASN A 18 -0.480 -12.931 -0.581 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.808 -12.726 0.998 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.660 -11.579 1.464 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.852 -10.603 0.022 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -0.951 -8.624 1.187 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -2.315 -8.230 2.238 1.00 62.40 H new ATOM 266 N ALA A 19 -2.974 -11.447 -2.003 1.00 61.24 N ATOM 267 CA ALA A 19 -3.887 -10.913 -3.009 1.00 24.21 C ATOM 268 C ALA A 19 -5.064 -11.860 -3.229 1.00 11.54 C ATOM 269 O ALA A 19 -6.182 -11.426 -3.519 1.00 11.42 O ATOM 270 CB ALA A 19 -3.151 -10.669 -4.321 1.00 61.32 C ATOM 0 H ALA A 19 -2.056 -11.706 -2.365 1.00 61.24 H new ATOM 0 HA ALA A 19 -4.276 -9.962 -2.645 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -3.847 -10.271 -5.060 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.345 -9.953 -4.159 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.734 -11.608 -4.684 1.00 61.32 H new ATOM 276 N GLY A 20 -4.797 -13.160 -3.101 1.00 74.52 N ATOM 277 CA GLY A 20 -5.835 -14.163 -3.266 1.00 23.12 C ATOM 278 C GLY A 20 -6.546 -14.479 -1.965 1.00 55.43 C ATOM 279 O GLY A 20 -7.638 -15.061 -1.969 1.00 43.31 O ATOM 0 H GLY A 20 -3.874 -13.536 -2.885 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.562 -13.812 -3.998 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -5.394 -15.076 -3.667 1.00 23.12 H new ATOM 283 N TYR A 21 -5.913 -14.115 -0.851 1.00 62.21 N ATOM 284 CA TYR A 21 -6.476 -14.324 0.480 1.00 10.20 C ATOM 285 C TYR A 21 -6.220 -13.106 1.377 1.00 4.45 C ATOM 286 O TYR A 21 -5.211 -13.050 2.084 1.00 64.21 O ATOM 287 CB TYR A 21 -5.868 -15.569 1.130 1.00 61.50 C ATOM 288 CG TYR A 21 -6.212 -16.876 0.443 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.460 -17.461 0.612 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.281 -17.537 -0.353 1.00 62.43 C ATOM 291 CE1 TYR A 21 -7.771 -18.662 0.008 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.589 -18.739 -0.959 1.00 2.43 C ATOM 293 CZ TYR A 21 -6.833 -19.296 -0.774 1.00 65.41 C ATOM 294 OH TYR A 21 -7.143 -20.488 -1.385 1.00 73.14 O ATOM 0 H TYR A 21 -4.996 -13.667 -0.847 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.551 -14.464 0.369 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.784 -15.459 1.149 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -6.202 -15.621 2.166 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.199 -16.968 1.226 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.303 -17.103 -0.499 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -8.747 -19.103 0.148 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -4.857 -19.239 -1.575 1.00 2.43 H new ATOM 0 HH TYR A 21 -7.060 -20.389 -2.356 1.00 73.14 H new ATOM 304 N PRO A 22 -7.124 -12.109 1.350 1.00 33.03 N ATOM 305 CA PRO A 22 -7.007 -10.912 2.198 1.00 62.52 C ATOM 306 C PRO A 22 -7.272 -11.231 3.673 1.00 1.51 C ATOM 307 O PRO A 22 -6.633 -10.677 4.571 1.00 55.41 O ATOM 308 CB PRO A 22 -8.082 -9.969 1.633 1.00 44.14 C ATOM 309 CG PRO A 22 -9.090 -10.878 1.007 1.00 13.52 C ATOM 310 CD PRO A 22 -8.315 -12.055 0.477 1.00 34.34 C ATOM 0 HA PRO A 22 -6.005 -10.482 2.178 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -8.530 -9.362 2.420 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -7.660 -9.281 0.901 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -9.834 -11.197 1.737 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -9.627 -10.372 0.205 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.896 -12.976 0.534 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -8.040 -11.916 -0.568 1.00 34.34 H new ATOM 318 N GLU A 23 -8.206 -12.149 3.908 1.00 61.20 N ATOM 319 CA GLU A 23 -8.585 -12.556 5.261 1.00 14.11 C ATOM 320 C GLU A 23 -7.641 -13.640 5.780 1.00 1.14 C ATOM 321 O GLU A 23 -7.686 -14.016 6.955 1.00 3.25 O ATOM 322 CB GLU A 23 -10.018 -13.104 5.257 1.00 54.54 C ATOM 323 CG GLU A 23 -10.156 -14.398 4.456 1.00 45.01 C ATOM 324 CD GLU A 23 -11.512 -15.065 4.606 1.00 53.32 C ATOM 325 OE1 GLU A 23 -11.824 -15.554 5.712 1.00 44.43 O ATOM 326 OE2 GLU A 23 -12.268 -15.126 3.611 1.00 54.44 O ATOM 0 H GLU A 23 -8.720 -12.631 3.170 1.00 61.20 H new ATOM 0 HA GLU A 23 -8.522 -11.684 5.912 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -10.337 -13.282 6.284 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -10.688 -12.352 4.841 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -9.981 -14.183 3.402 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -9.380 -15.096 4.772 1.00 45.01 H new ATOM 333 N GLY A 24 -6.784 -14.130 4.893 1.00 55.34 N ATOM 334 CA GLY A 24 -6.011 -15.323 5.168 1.00 5.42 C ATOM 335 C GLY A 24 -6.631 -16.524 4.483 1.00 72.15 C ATOM 336 O GLY A 24 -7.739 -16.432 3.949 1.00 1.40 O ATOM 0 H GLY A 24 -6.610 -13.715 3.977 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -4.986 -15.188 4.822 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -5.964 -15.494 6.244 1.00 5.42 H new ATOM 340 N VAL A 25 -5.924 -17.642 4.474 1.00 31.52 N ATOM 341 CA VAL A 25 -6.413 -18.844 3.805 1.00 42.05 C ATOM 342 C VAL A 25 -7.145 -19.741 4.810 1.00 51.00 C ATOM 343 O VAL A 25 -6.613 -20.011 5.891 1.00 41.02 O ATOM 344 CB VAL A 25 -5.250 -19.645 3.155 1.00 71.20 C ATOM 345 CG1 VAL A 25 -5.768 -20.653 2.135 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.203 -18.713 2.548 1.00 50.32 C ATOM 0 H VAL A 25 -5.012 -17.746 4.920 1.00 31.52 H new ATOM 0 HA VAL A 25 -7.098 -18.530 3.018 1.00 42.05 H new ATOM 0 HB VAL A 25 -4.759 -20.212 3.946 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -4.928 -21.195 1.700 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.439 -21.357 2.628 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -6.308 -20.128 1.347 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -3.404 -19.305 2.102 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -4.668 -18.094 1.781 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -3.789 -18.074 3.328 1.00 50.32 H new ATOM 356 N PRO A 26 -8.378 -20.191 4.492 1.00 73.25 N ATOM 357 CA PRO A 26 -9.104 -21.149 5.335 1.00 54.21 C ATOM 358 C PRO A 26 -8.470 -22.538 5.270 1.00 64.34 C ATOM 359 O PRO A 26 -7.839 -22.884 4.276 1.00 2.12 O ATOM 360 CB PRO A 26 -10.518 -21.167 4.738 1.00 23.03 C ATOM 361 CG PRO A 26 -10.340 -20.740 3.323 1.00 64.34 C ATOM 362 CD PRO A 26 -9.168 -19.788 3.311 1.00 63.21 C ATOM 0 HA PRO A 26 -9.092 -20.868 6.388 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -10.960 -22.162 4.798 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.182 -20.490 5.275 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.150 -21.599 2.679 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.240 -20.253 2.948 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -8.589 -19.878 2.392 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -9.494 -18.750 3.382 1.00 63.21 H new ATOM 370 N GLY A 27 -8.658 -23.326 6.327 1.00 3.45 N ATOM 371 CA GLY A 27 -8.046 -24.650 6.433 1.00 3.53 C ATOM 372 C GLY A 27 -8.150 -25.509 5.176 1.00 40.15 C ATOM 373 O GLY A 27 -7.115 -25.973 4.653 1.00 54.14 O ATOM 0 H GLY A 27 -9.234 -23.068 7.128 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -6.993 -24.528 6.686 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.513 -25.185 7.260 1.00 3.53 H new ATOM 377 N PRO A 28 -9.377 -25.727 4.641 1.00 4.10 N ATOM 378 CA PRO A 28 -9.590 -26.642 3.511 1.00 31.40 C ATOM 379 C PRO A 28 -8.884 -26.167 2.247 1.00 1.42 C ATOM 380 O PRO A 28 -8.698 -26.940 1.305 1.00 5.10 O ATOM 381 CB PRO A 28 -11.118 -26.650 3.322 1.00 12.20 C ATOM 382 CG PRO A 28 -11.583 -25.370 3.928 1.00 51.25 C ATOM 383 CD PRO A 28 -10.641 -25.085 5.068 1.00 54.20 C ATOM 0 HA PRO A 28 -9.180 -27.633 3.707 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.386 -26.709 2.267 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.573 -27.509 3.815 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -11.565 -24.563 3.196 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -12.610 -25.456 4.283 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.514 -24.014 5.225 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -11.007 -25.504 6.005 1.00 54.20 H new ATOM 391 N ASP A 29 -8.497 -24.893 2.237 1.00 63.12 N ATOM 392 CA ASP A 29 -7.733 -24.319 1.134 1.00 75.13 C ATOM 393 C ASP A 29 -6.255 -24.255 1.504 1.00 41.35 C ATOM 394 O ASP A 29 -5.390 -24.316 0.633 1.00 20.04 O ATOM 395 CB ASP A 29 -8.254 -22.919 0.787 1.00 13.15 C ATOM 396 CG ASP A 29 -9.698 -22.937 0.307 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.608 -23.120 1.148 1.00 33.11 O ATOM 398 OD2 ASP A 29 -9.933 -22.777 -0.910 1.00 42.44 O ATOM 0 H ASP A 29 -8.703 -24.234 2.988 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.853 -24.956 0.258 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.174 -22.277 1.664 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.623 -22.481 0.014 1.00 13.15 H new ATOM 403 N ARG A 30 -5.977 -24.156 2.804 1.00 54.40 N ATOM 404 CA ARG A 30 -4.607 -24.098 3.307 1.00 24.35 C ATOM 405 C ARG A 30 -3.862 -25.380 2.995 1.00 11.25 C ATOM 406 O ARG A 30 -2.755 -25.346 2.457 1.00 45.02 O ATOM 407 CB ARG A 30 -4.569 -23.866 4.823 1.00 44.21 C ATOM 408 CG ARG A 30 -4.923 -22.461 5.253 1.00 23.22 C ATOM 409 CD ARG A 30 -4.636 -22.224 6.734 1.00 3.15 C ATOM 410 NE ARG A 30 -5.282 -23.213 7.603 1.00 71.13 N ATOM 411 CZ ARG A 30 -6.062 -22.899 8.641 1.00 23.15 C ATOM 412 NH1 ARG A 30 -6.387 -21.632 8.869 1.00 65.41 N ATOM 413 NH2 ARG A 30 -6.541 -23.859 9.426 1.00 74.54 N ATOM 0 H ARG A 30 -6.690 -24.114 3.532 1.00 54.40 H new ATOM 0 HA ARG A 30 -4.125 -23.258 2.806 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -5.257 -24.563 5.301 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.570 -24.103 5.189 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.357 -21.746 4.656 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -5.979 -22.277 5.055 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -3.559 -22.250 6.899 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -4.977 -21.226 7.010 1.00 3.15 H new ATOM 0 HE ARG A 30 -5.126 -24.201 7.403 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -6.041 -20.898 8.251 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -6.983 -21.393 9.662 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -6.313 -24.835 9.236 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -7.137 -23.620 10.219 1.00 74.54 H new ATOM 427 N VAL A 31 -4.469 -26.515 3.343 1.00 12.44 N ATOM 428 CA VAL A 31 -3.793 -27.802 3.177 1.00 14.30 C ATOM 429 C VAL A 31 -3.351 -28.012 1.713 1.00 1.22 C ATOM 430 O VAL A 31 -2.177 -28.307 1.456 1.00 3.34 O ATOM 431 CB VAL A 31 -4.663 -28.995 3.651 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.845 -30.282 3.660 1.00 35.31 C ATOM 433 CG2 VAL A 31 -5.251 -28.736 5.030 1.00 61.25 C ATOM 0 H VAL A 31 -5.409 -26.571 3.734 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.908 -27.771 3.813 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.488 -29.106 2.947 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.471 -31.109 3.995 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.480 -30.488 2.654 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.998 -30.170 4.337 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.856 -29.590 5.334 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -4.444 -28.589 5.748 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.875 -27.843 4.998 1.00 61.25 H new ATOM 443 N PRO A 32 -4.266 -27.856 0.724 1.00 64.13 N ATOM 444 CA PRO A 32 -3.907 -27.962 -0.696 1.00 15.21 C ATOM 445 C PRO A 32 -3.010 -26.812 -1.155 1.00 21.04 C ATOM 446 O PRO A 32 -2.193 -26.985 -2.059 1.00 13.40 O ATOM 447 CB PRO A 32 -5.259 -27.932 -1.421 1.00 64.15 C ATOM 448 CG PRO A 32 -6.166 -27.213 -0.490 1.00 73.12 C ATOM 449 CD PRO A 32 -5.711 -27.589 0.895 1.00 53.53 C ATOM 0 HA PRO A 32 -3.331 -28.864 -0.904 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -5.184 -27.417 -2.379 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.620 -28.939 -1.628 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -6.108 -26.135 -0.642 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -7.204 -27.503 -0.653 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.889 -26.784 1.608 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -6.240 -28.467 1.267 1.00 53.53 H new ATOM 457 N LEU A 33 -3.170 -25.639 -0.533 1.00 51.45 N ATOM 458 CA LEU A 33 -2.327 -24.483 -0.845 1.00 71.25 C ATOM 459 C LEU A 33 -0.866 -24.842 -0.615 1.00 22.31 C ATOM 460 O LEU A 33 -0.015 -24.623 -1.478 1.00 14.43 O ATOM 461 CB LEU A 33 -2.729 -23.262 0.016 1.00 44.31 C ATOM 462 CG LEU A 33 -2.081 -21.904 -0.351 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.649 -21.793 0.179 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.112 -21.681 -1.862 1.00 5.41 C ATOM 0 H LEU A 33 -3.873 -25.467 0.186 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.469 -24.214 -1.892 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.812 -23.148 -0.041 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.486 -23.484 1.055 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.670 -21.123 0.130 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.232 -20.826 -0.100 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.655 -21.886 1.265 1.00 72.23 H new ATOM 0 HD13 LEU A 33 -0.040 -22.589 -0.250 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.652 -20.721 -2.098 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.561 -22.479 -2.359 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.145 -21.683 -2.209 1.00 5.41 H new ATOM 476 N LEU A 34 -0.588 -25.421 0.547 1.00 52.24 N ATOM 477 CA LEU A 34 0.764 -25.834 0.890 1.00 54.12 C ATOM 478 C LEU A 34 1.187 -27.034 0.066 1.00 50.24 C ATOM 479 O LEU A 34 2.335 -27.114 -0.365 1.00 13.00 O ATOM 480 CB LEU A 34 0.885 -26.148 2.386 1.00 2.21 C ATOM 481 CG LEU A 34 1.412 -24.993 3.251 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.815 -24.595 2.802 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.457 -23.797 3.196 1.00 74.02 C ATOM 0 H LEU A 34 -1.283 -25.615 1.268 1.00 52.24 H new ATOM 0 HA LEU A 34 1.431 -25.003 0.661 1.00 54.12 H new ATOM 0 HB2 LEU A 34 -0.095 -26.444 2.760 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.546 -27.006 2.510 1.00 2.21 H new ATOM 0 HG LEU A 34 1.467 -25.329 4.286 1.00 0.45 H new ATOM 0 HD11 LEU A 34 3.177 -23.776 3.423 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.485 -25.449 2.902 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.787 -24.276 1.760 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.849 -22.990 3.815 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.365 -23.452 2.166 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.523 -24.097 3.567 1.00 74.02 H new ATOM 495 N ALA A 35 0.267 -27.966 -0.150 1.00 22.33 N ATOM 496 CA ALA A 35 0.558 -29.135 -0.971 1.00 2.14 C ATOM 497 C ALA A 35 1.081 -28.697 -2.339 1.00 71.13 C ATOM 498 O ALA A 35 2.047 -29.251 -2.859 1.00 71.44 O ATOM 499 CB ALA A 35 -0.681 -30.013 -1.116 1.00 72.12 C ATOM 0 H ALA A 35 -0.680 -27.936 0.228 1.00 22.33 H new ATOM 0 HA ALA A 35 1.330 -29.726 -0.479 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.443 -30.880 -1.732 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -1.008 -30.347 -0.131 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.479 -29.441 -1.588 1.00 72.12 H new ATOM 505 N LEU A 36 0.430 -27.686 -2.904 1.00 60.32 N ATOM 506 CA LEU A 36 0.821 -27.112 -4.189 1.00 5.22 C ATOM 507 C LEU A 36 2.128 -26.322 -4.049 1.00 32.42 C ATOM 508 O LEU A 36 3.049 -26.462 -4.855 1.00 24.53 O ATOM 509 CB LEU A 36 -0.326 -26.217 -4.704 1.00 43.41 C ATOM 510 CG LEU A 36 -0.171 -25.612 -6.117 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.773 -24.408 -6.123 1.00 3.22 C ATOM 512 CD2 LEU A 36 0.296 -26.672 -7.114 1.00 70.30 C ATOM 0 H LEU A 36 -0.385 -27.240 -2.484 1.00 60.32 H new ATOM 0 HA LEU A 36 1.001 -27.908 -4.912 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.245 -26.803 -4.687 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.457 -25.397 -3.998 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.154 -25.256 -6.426 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.853 -24.014 -7.136 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.381 -23.635 -5.463 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.759 -24.717 -5.775 1.00 3.22 H new ATOM 0 HD21 LEU A 36 0.398 -26.223 -8.102 1.00 70.30 H new ATOM 0 HD22 LEU A 36 1.259 -27.071 -6.796 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.435 -27.479 -7.156 1.00 70.30 H new ATOM 524 N LEU A 37 2.196 -25.501 -3.012 1.00 22.00 N ATOM 525 CA LEU A 37 3.299 -24.565 -2.819 1.00 0.21 C ATOM 526 C LEU A 37 4.628 -25.313 -2.612 1.00 50.35 C ATOM 527 O LEU A 37 5.649 -24.964 -3.213 1.00 73.01 O ATOM 528 CB LEU A 37 2.974 -23.648 -1.620 1.00 72.43 C ATOM 529 CG LEU A 37 3.756 -22.322 -1.530 1.00 43.44 C ATOM 530 CD1 LEU A 37 3.081 -21.373 -0.542 1.00 4.05 C ATOM 531 CD2 LEU A 37 5.207 -22.557 -1.110 1.00 24.13 C ATOM 0 H LEU A 37 1.488 -25.463 -2.278 1.00 22.00 H new ATOM 0 HA LEU A 37 3.417 -23.953 -3.713 1.00 0.21 H new ATOM 0 HB2 LEU A 37 1.910 -23.414 -1.649 1.00 72.43 H new ATOM 0 HB3 LEU A 37 3.152 -24.211 -0.703 1.00 72.43 H new ATOM 0 HG LEU A 37 3.756 -21.871 -2.522 1.00 43.44 H new ATOM 0 HD11 LEU A 37 3.645 -20.441 -0.489 1.00 4.05 H new ATOM 0 HD12 LEU A 37 2.064 -21.164 -0.875 1.00 4.05 H new ATOM 0 HD13 LEU A 37 3.052 -21.835 0.445 1.00 4.05 H new ATOM 0 HD21 LEU A 37 5.730 -21.602 -1.056 1.00 24.13 H new ATOM 0 HD22 LEU A 37 5.229 -23.038 -0.132 1.00 24.13 H new ATOM 0 HD23 LEU A 37 5.698 -23.199 -1.842 1.00 24.13 H new ATOM 543 N THR A 38 4.598 -26.360 -1.792 1.00 10.21 N ATOM 544 CA THR A 38 5.810 -27.081 -1.402 1.00 5.04 C ATOM 545 C THR A 38 6.409 -27.876 -2.564 1.00 62.54 C ATOM 546 O THR A 38 7.539 -28.362 -2.475 1.00 50.11 O ATOM 547 CB THR A 38 5.540 -28.039 -0.212 1.00 61.23 C ATOM 548 OG1 THR A 38 4.456 -28.925 -0.530 1.00 1.52 O ATOM 549 CG2 THR A 38 5.211 -27.260 1.059 1.00 31.33 C ATOM 0 H THR A 38 3.742 -26.732 -1.381 1.00 10.21 H new ATOM 0 HA THR A 38 6.530 -26.322 -1.097 1.00 5.04 H new ATOM 0 HB THR A 38 6.445 -28.619 -0.035 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.607 -28.439 -0.466 1.00 1.52 H new ATOM 0 HG21 THR A 38 5.027 -27.958 1.876 1.00 31.33 H new ATOM 0 HG22 THR A 38 6.050 -26.613 1.317 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.322 -26.652 0.893 1.00 31.33 H new ATOM 557 N ARG A 39 5.654 -28.003 -3.654 1.00 14.25 N ATOM 558 CA ARG A 39 6.110 -28.750 -4.822 1.00 24.04 C ATOM 559 C ARG A 39 7.417 -28.178 -5.368 1.00 71.34 C ATOM 560 O ARG A 39 8.337 -28.923 -5.706 1.00 72.22 O ATOM 561 CB ARG A 39 5.044 -28.721 -5.922 1.00 54.52 C ATOM 562 CG ARG A 39 3.730 -29.406 -5.554 1.00 31.23 C ATOM 563 CD ARG A 39 3.917 -30.886 -5.225 1.00 22.04 C ATOM 564 NE ARG A 39 2.663 -31.637 -5.356 1.00 23.20 N ATOM 565 CZ ARG A 39 2.335 -32.699 -4.615 1.00 2.41 C ATOM 566 NH1 ARG A 39 3.090 -33.056 -3.585 1.00 33.22 N ATOM 567 NH2 ARG A 39 1.226 -33.382 -4.884 1.00 12.20 N ATOM 0 H ARG A 39 4.723 -27.597 -3.751 1.00 14.25 H new ATOM 0 HA ARG A 39 6.284 -29.780 -4.509 1.00 24.04 H new ATOM 0 HB2 ARG A 39 4.837 -27.683 -6.181 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.449 -29.198 -6.815 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.287 -28.899 -4.697 1.00 31.23 H new ATOM 0 HG3 ARG A 39 3.027 -29.306 -6.381 1.00 31.23 H new ATOM 0 HD2 ARG A 39 4.668 -31.314 -5.889 1.00 22.04 H new ATOM 0 HD3 ARG A 39 4.296 -30.987 -4.208 1.00 22.04 H new ATOM 0 HE ARG A 39 1.995 -31.326 -6.062 1.00 23.20 H new ATOM 0 HH11 ARG A 39 3.926 -32.519 -3.355 1.00 33.22 H new ATOM 0 HH12 ARG A 39 2.835 -33.868 -3.023 1.00 33.22 H new ATOM 0 HH21 ARG A 39 0.625 -33.095 -5.657 1.00 12.20 H new ATOM 0 HH22 ARG A 39 0.976 -34.193 -4.318 1.00 12.20 H new ATOM 581 N ARG A 40 7.491 -26.852 -5.467 1.00 53.35 N ATOM 582 CA ARG A 40 8.632 -26.190 -6.085 1.00 42.31 C ATOM 583 C ARG A 40 9.546 -25.505 -5.063 1.00 74.53 C ATOM 584 O ARG A 40 10.767 -25.663 -5.123 1.00 12.24 O ATOM 585 CB ARG A 40 8.116 -25.171 -7.099 1.00 64.35 C ATOM 586 CG ARG A 40 7.286 -25.800 -8.211 1.00 51.10 C ATOM 587 CD ARG A 40 6.639 -24.742 -9.083 1.00 53.50 C ATOM 588 NE ARG A 40 6.092 -25.299 -10.322 1.00 44.33 N ATOM 589 CZ ARG A 40 6.574 -25.045 -11.541 1.00 71.12 C ATOM 590 NH1 ARG A 40 7.597 -24.211 -11.704 1.00 73.41 N ATOM 591 NH2 ARG A 40 6.017 -25.616 -12.598 1.00 72.30 N ATOM 0 H ARG A 40 6.771 -26.216 -5.125 1.00 53.35 H new ATOM 0 HA ARG A 40 9.237 -26.951 -6.578 1.00 42.31 H new ATOM 0 HB2 ARG A 40 7.513 -24.426 -6.581 1.00 64.35 H new ATOM 0 HB3 ARG A 40 8.963 -24.645 -7.539 1.00 64.35 H new ATOM 0 HG2 ARG A 40 7.921 -26.440 -8.823 1.00 51.10 H new ATOM 0 HG3 ARG A 40 6.515 -26.437 -7.776 1.00 51.10 H new ATOM 0 HD2 ARG A 40 5.841 -24.253 -8.524 1.00 53.50 H new ATOM 0 HD3 ARG A 40 7.375 -23.975 -9.326 1.00 53.50 H new ATOM 0 HE ARG A 40 5.289 -25.923 -10.249 1.00 44.33 H new ATOM 0 HH11 ARG A 40 8.021 -23.759 -10.894 1.00 73.41 H new ATOM 0 HH12 ARG A 40 7.958 -24.023 -12.639 1.00 73.41 H new ATOM 0 HH21 ARG A 40 5.224 -26.246 -12.479 1.00 72.30 H new ATOM 0 HH22 ARG A 40 6.381 -25.426 -13.532 1.00 72.30 H new ATOM 605 N LEU A 41 8.960 -24.750 -4.134 1.00 34.24 N ATOM 606 CA LEU A 41 9.748 -23.915 -3.222 1.00 61.12 C ATOM 607 C LEU A 41 10.484 -24.752 -2.175 1.00 73.41 C ATOM 608 O LEU A 41 10.032 -25.836 -1.793 1.00 54.35 O ATOM 609 CB LEU A 41 8.859 -22.869 -2.522 1.00 3.20 C ATOM 610 CG LEU A 41 8.309 -21.747 -3.423 1.00 25.42 C ATOM 611 CD1 LEU A 41 7.225 -22.276 -4.350 1.00 35.11 C ATOM 612 CD2 LEU A 41 7.785 -20.583 -2.582 1.00 65.23 C ATOM 0 H LEU A 41 7.951 -24.698 -3.992 1.00 34.24 H new ATOM 0 HA LEU A 41 10.492 -23.400 -3.830 1.00 61.12 H new ATOM 0 HB2 LEU A 41 8.017 -23.385 -2.061 1.00 3.20 H new ATOM 0 HB3 LEU A 41 9.433 -22.413 -1.715 1.00 3.20 H new ATOM 0 HG LEU A 41 9.128 -21.378 -4.040 1.00 25.42 H new ATOM 0 HD11 LEU A 41 6.853 -21.464 -4.975 1.00 35.11 H new ATOM 0 HD12 LEU A 41 7.639 -23.061 -4.983 1.00 35.11 H new ATOM 0 HD13 LEU A 41 6.405 -22.682 -3.757 1.00 35.11 H new ATOM 0 HD21 LEU A 41 7.402 -19.803 -3.239 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.984 -20.935 -1.932 1.00 65.23 H new ATOM 0 HD23 LEU A 41 8.595 -20.180 -1.974 1.00 65.23 H new ATOM 624 N THR A 42 11.624 -24.241 -1.726 1.00 74.31 N ATOM 625 CA THR A 42 12.422 -24.897 -0.701 1.00 41.11 C ATOM 626 C THR A 42 11.839 -24.643 0.686 1.00 41.00 C ATOM 627 O THR A 42 10.950 -23.804 0.852 1.00 32.31 O ATOM 628 CB THR A 42 13.886 -24.401 -0.733 1.00 51.30 C ATOM 629 OG1 THR A 42 13.924 -22.985 -0.505 1.00 51.23 O ATOM 630 CG2 THR A 42 14.548 -24.717 -2.067 1.00 74.30 C ATOM 0 H THR A 42 12.019 -23.363 -2.062 1.00 74.31 H new ATOM 0 HA THR A 42 12.403 -25.966 -0.911 1.00 41.11 H new ATOM 0 HB THR A 42 14.434 -24.919 0.054 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.854 -22.675 -0.525 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.576 -24.356 -2.058 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.544 -25.795 -2.229 1.00 74.30 H new ATOM 0 HG23 THR A 42 13.999 -24.227 -2.871 1.00 74.30 H new ATOM 638 N ASN A 43 12.346 -25.366 1.680 1.00 61.44 N ATOM 639 CA ASN A 43 11.904 -25.197 3.060 1.00 23.11 C ATOM 640 C ASN A 43 12.250 -23.784 3.552 1.00 72.30 C ATOM 641 O ASN A 43 11.487 -23.149 4.300 1.00 71.12 O ATOM 642 CB ASN A 43 12.546 -26.263 3.957 1.00 34.35 C ATOM 643 CG ASN A 43 11.916 -26.324 5.337 1.00 3.52 C ATOM 644 OD1 ASN A 43 12.370 -25.671 6.264 1.00 54.24 O ATOM 645 ND2 ASN A 43 10.864 -27.111 5.476 1.00 61.42 N ATOM 0 H ASN A 43 13.066 -26.077 1.554 1.00 61.44 H new ATOM 0 HA ASN A 43 10.822 -25.322 3.107 1.00 23.11 H new ATOM 0 HB2 ASN A 43 12.456 -27.238 3.478 1.00 34.35 H new ATOM 0 HB3 ASN A 43 13.611 -26.054 4.057 1.00 34.35 H new ATOM 0 HD21 ASN A 43 10.401 -27.189 6.382 1.00 61.42 H new ATOM 0 HD22 ASN A 43 10.514 -27.641 4.678 1.00 61.42 H new ATOM 652 N ASP A 44 13.394 -23.286 3.094 1.00 0.21 N ATOM 653 CA ASP A 44 13.824 -21.922 3.399 1.00 22.12 C ATOM 654 C ASP A 44 12.830 -20.918 2.824 1.00 42.40 C ATOM 655 O ASP A 44 12.388 -20.001 3.516 1.00 60.34 O ATOM 656 CB ASP A 44 15.226 -21.652 2.830 1.00 1.30 C ATOM 657 CG ASP A 44 15.681 -20.209 3.041 1.00 22.22 C ATOM 658 OD1 ASP A 44 16.020 -19.855 4.189 1.00 41.24 O ATOM 659 OD2 ASP A 44 15.693 -19.428 2.064 1.00 4.40 O ATOM 0 H ASP A 44 14.044 -23.808 2.507 1.00 0.21 H new ATOM 0 HA ASP A 44 13.862 -21.810 4.483 1.00 22.12 H new ATOM 0 HB2 ASP A 44 15.941 -22.326 3.301 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.230 -21.878 1.764 1.00 1.30 H new ATOM 664 N GLU A 45 12.466 -21.118 1.560 1.00 2.43 N ATOM 665 CA GLU A 45 11.530 -20.235 0.870 1.00 12.41 C ATOM 666 C GLU A 45 10.160 -20.216 1.562 1.00 74.32 C ATOM 667 O GLU A 45 9.614 -19.139 1.840 1.00 52.21 O ATOM 668 CB GLU A 45 11.400 -20.646 -0.604 1.00 10.44 C ATOM 669 CG GLU A 45 12.626 -20.289 -1.440 1.00 2.34 C ATOM 670 CD GLU A 45 12.556 -20.827 -2.860 1.00 2.35 C ATOM 671 OE1 GLU A 45 12.884 -22.017 -3.055 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.173 -20.070 -3.774 1.00 64.14 O ATOM 0 H GLU A 45 12.808 -21.891 0.989 1.00 2.43 H new ATOM 0 HA GLU A 45 11.926 -19.221 0.913 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.231 -21.721 -0.661 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.523 -20.162 -1.033 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.733 -19.205 -1.473 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.518 -20.682 -0.952 1.00 2.34 H new ATOM 679 N ILE A 46 9.608 -21.394 1.856 1.00 40.25 N ATOM 680 CA ILE A 46 8.320 -21.462 2.550 1.00 2.42 C ATOM 681 C ILE A 46 8.408 -20.744 3.898 1.00 23.22 C ATOM 682 O ILE A 46 7.486 -20.013 4.272 1.00 2.24 O ATOM 683 CB ILE A 46 7.789 -22.927 2.713 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.503 -22.989 3.569 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.853 -23.842 3.298 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.743 -23.099 5.070 1.00 5.20 C ATOM 0 H ILE A 46 10.022 -22.298 1.630 1.00 40.25 H new ATOM 0 HA ILE A 46 7.589 -20.949 1.925 1.00 2.42 H new ATOM 0 HB ILE A 46 7.541 -23.279 1.712 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.909 -22.096 3.374 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.908 -23.844 3.246 1.00 14.42 H new ATOM 0 HG21 ILE A 46 8.451 -24.850 3.398 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.720 -23.861 2.638 1.00 60.40 H new ATOM 0 HG23 ILE A 46 9.152 -23.472 4.279 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.786 -23.137 5.590 1.00 5.20 H new ATOM 0 HD12 ILE A 46 7.307 -24.007 5.283 1.00 5.20 H new ATOM 0 HD13 ILE A 46 7.308 -22.232 5.413 1.00 5.20 H new ATOM 698 N LYS A 47 9.516 -20.930 4.628 1.00 61.14 N ATOM 699 CA LYS A 47 9.721 -20.172 5.865 1.00 33.02 C ATOM 700 C LYS A 47 9.721 -18.671 5.580 1.00 44.41 C ATOM 701 O LYS A 47 9.098 -17.895 6.302 1.00 14.11 O ATOM 702 CB LYS A 47 11.038 -20.531 6.562 1.00 63.24 C ATOM 703 CG LYS A 47 11.030 -21.850 7.324 1.00 43.11 C ATOM 704 CD LYS A 47 12.142 -21.856 8.374 1.00 45.04 C ATOM 705 CE LYS A 47 12.373 -23.233 8.977 1.00 73.15 C ATOM 706 NZ LYS A 47 13.073 -24.136 8.032 1.00 75.33 N ATOM 0 H LYS A 47 10.265 -21.581 4.391 1.00 61.14 H new ATOM 0 HA LYS A 47 8.896 -20.437 6.526 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.829 -20.567 5.813 1.00 63.24 H new ATOM 0 HB3 LYS A 47 11.293 -19.730 7.256 1.00 63.24 H new ATOM 0 HG2 LYS A 47 10.063 -21.995 7.806 1.00 43.11 H new ATOM 0 HG3 LYS A 47 11.168 -22.680 6.631 1.00 43.11 H new ATOM 0 HD2 LYS A 47 13.068 -21.503 7.919 1.00 45.04 H new ATOM 0 HD3 LYS A 47 11.890 -21.154 9.168 1.00 45.04 H new ATOM 0 HE2 LYS A 47 12.960 -23.136 9.890 1.00 73.15 H new ATOM 0 HE3 LYS A 47 11.416 -23.672 9.258 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 13.524 -24.910 8.561 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 12.387 -24.531 7.357 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 13.799 -23.601 7.514 1.00 75.33 H new ATOM 720 N ALA A 48 10.429 -18.271 4.524 1.00 32.32 N ATOM 721 CA ALA A 48 10.550 -16.860 4.167 1.00 3.50 C ATOM 722 C ALA A 48 9.177 -16.243 3.937 1.00 23.32 C ATOM 723 O ALA A 48 8.943 -15.081 4.277 1.00 52.32 O ATOM 724 CB ALA A 48 11.429 -16.691 2.936 1.00 43.35 C ATOM 0 H ALA A 48 10.928 -18.906 3.901 1.00 32.32 H new ATOM 0 HA ALA A 48 11.023 -16.337 4.998 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.506 -15.633 2.687 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.423 -17.089 3.141 1.00 43.35 H new ATOM 0 HB3 ALA A 48 10.988 -17.230 2.097 1.00 43.35 H new ATOM 730 N ILE A 49 8.269 -17.029 3.357 1.00 73.51 N ATOM 731 CA ILE A 49 6.882 -16.597 3.182 1.00 11.34 C ATOM 732 C ILE A 49 6.257 -16.289 4.537 1.00 32.52 C ATOM 733 O ILE A 49 5.563 -15.284 4.703 1.00 25.45 O ATOM 734 CB ILE A 49 6.031 -17.664 2.447 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.607 -17.904 1.049 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.562 -17.238 2.363 1.00 22.32 C ATOM 737 CD1 ILE A 49 6.738 -16.632 0.240 1.00 74.30 C ATOM 0 H ILE A 49 8.468 -17.964 3.002 1.00 73.51 H new ATOM 0 HA ILE A 49 6.895 -15.698 2.566 1.00 11.34 H new ATOM 0 HB ILE A 49 6.070 -18.594 3.014 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.587 -18.373 1.141 1.00 71.25 H new ATOM 0 HG13 ILE A 49 5.967 -18.605 0.513 1.00 71.25 H new ATOM 0 HG21 ILE A 49 3.990 -18.006 1.842 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.163 -17.107 3.369 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.487 -16.297 1.818 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.152 -16.866 -0.741 1.00 74.30 H new ATOM 0 HD12 ILE A 49 5.756 -16.174 0.120 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.401 -15.938 0.757 1.00 74.30 H new ATOM 749 N ALA A 50 6.525 -17.154 5.510 1.00 21.02 N ATOM 750 CA ALA A 50 6.025 -16.958 6.859 1.00 1.35 C ATOM 751 C ALA A 50 6.619 -15.688 7.444 1.00 3.30 C ATOM 752 O ALA A 50 5.900 -14.837 7.955 1.00 40.12 O ATOM 753 CB ALA A 50 6.361 -18.158 7.740 1.00 61.30 C ATOM 0 H ALA A 50 7.086 -17.997 5.386 1.00 21.02 H new ATOM 0 HA ALA A 50 4.940 -16.861 6.821 1.00 1.35 H new ATOM 0 HB1 ALA A 50 5.977 -17.990 8.746 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.904 -19.055 7.323 1.00 61.30 H new ATOM 0 HB3 ALA A 50 7.442 -18.288 7.781 1.00 61.30 H new ATOM 759 N GLU A 51 7.926 -15.549 7.284 1.00 14.35 N ATOM 760 CA GLU A 51 8.687 -14.449 7.869 1.00 45.45 C ATOM 761 C GLU A 51 8.118 -13.098 7.432 1.00 61.23 C ATOM 762 O GLU A 51 7.935 -12.198 8.255 1.00 40.34 O ATOM 763 CB GLU A 51 10.158 -14.568 7.436 1.00 4.25 C ATOM 764 CG GLU A 51 10.866 -15.813 7.974 1.00 61.30 C ATOM 765 CD GLU A 51 11.459 -15.599 9.360 1.00 30.31 C ATOM 766 OE1 GLU A 51 12.264 -14.658 9.523 1.00 71.15 O ATOM 767 OE2 GLU A 51 11.135 -16.364 10.294 1.00 71.41 O ATOM 0 H GLU A 51 8.495 -16.199 6.742 1.00 14.35 H new ATOM 0 HA GLU A 51 8.616 -14.508 8.955 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.206 -14.577 6.347 1.00 4.25 H new ATOM 0 HB3 GLU A 51 10.698 -13.682 7.771 1.00 4.25 H new ATOM 0 HG2 GLU A 51 10.158 -16.641 8.010 1.00 61.30 H new ATOM 0 HG3 GLU A 51 11.659 -16.101 7.284 1.00 61.30 H new ATOM 774 N ASP A 52 7.829 -12.969 6.140 1.00 54.12 N ATOM 775 CA ASP A 52 7.264 -11.730 5.595 1.00 62.53 C ATOM 776 C ASP A 52 5.898 -11.447 6.215 1.00 5.34 C ATOM 777 O ASP A 52 5.580 -10.310 6.577 1.00 13.14 O ATOM 778 CB ASP A 52 7.130 -11.818 4.067 1.00 51.25 C ATOM 779 CG ASP A 52 6.518 -10.557 3.465 1.00 13.15 C ATOM 780 OD1 ASP A 52 7.244 -9.555 3.306 1.00 55.20 O ATOM 781 OD2 ASP A 52 5.303 -10.554 3.167 1.00 61.55 O ATOM 0 H ASP A 52 7.975 -13.704 5.448 1.00 54.12 H new ATOM 0 HA ASP A 52 7.943 -10.914 5.842 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.113 -11.987 3.628 1.00 51.25 H new ATOM 0 HB3 ASP A 52 6.513 -12.678 3.808 1.00 51.25 H new ATOM 786 N LEU A 53 5.093 -12.491 6.337 1.00 34.00 N ATOM 787 CA LEU A 53 3.747 -12.366 6.880 1.00 31.15 C ATOM 788 C LEU A 53 3.777 -12.192 8.405 1.00 63.44 C ATOM 789 O LEU A 53 2.889 -11.561 8.980 1.00 24.44 O ATOM 790 CB LEU A 53 2.917 -13.588 6.467 1.00 23.10 C ATOM 791 CG LEU A 53 2.788 -13.780 4.941 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.086 -15.092 4.603 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.058 -12.595 4.307 1.00 2.44 C ATOM 0 H LEU A 53 5.349 -13.440 6.066 1.00 34.00 H new ATOM 0 HA LEU A 53 3.279 -11.471 6.471 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.369 -14.482 6.897 1.00 23.10 H new ATOM 0 HB3 LEU A 53 1.919 -13.497 6.896 1.00 23.10 H new ATOM 0 HG LEU A 53 3.795 -13.826 4.525 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.011 -15.196 3.521 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.658 -15.926 5.009 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.086 -15.092 5.037 1.00 73.53 H new ATOM 0 HD21 LEU A 53 1.978 -12.750 3.231 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.060 -12.510 4.737 1.00 2.44 H new ATOM 0 HD23 LEU A 53 2.615 -11.678 4.501 1.00 2.44 H new ATOM 805 N GLU A 54 4.823 -12.714 9.049 1.00 42.35 N ATOM 806 CA GLU A 54 4.971 -12.621 10.506 1.00 71.35 C ATOM 807 C GLU A 54 5.322 -11.195 10.929 1.00 51.43 C ATOM 808 O GLU A 54 5.137 -10.816 12.090 1.00 2.04 O ATOM 809 CB GLU A 54 6.035 -13.609 11.014 1.00 71.34 C ATOM 810 CG GLU A 54 5.634 -15.075 10.859 1.00 45.42 C ATOM 811 CD GLU A 54 6.642 -16.039 11.465 1.00 2.40 C ATOM 812 OE1 GLU A 54 7.624 -16.391 10.788 1.00 25.13 O ATOM 813 OE2 GLU A 54 6.454 -16.450 12.630 1.00 1.20 O ATOM 0 H GLU A 54 5.584 -13.208 8.583 1.00 42.35 H new ATOM 0 HA GLU A 54 4.014 -12.886 10.956 1.00 71.35 H new ATOM 0 HB2 GLU A 54 6.966 -13.437 10.474 1.00 71.34 H new ATOM 0 HB3 GLU A 54 6.235 -13.405 12.066 1.00 71.34 H new ATOM 0 HG2 GLU A 54 4.663 -15.231 11.330 1.00 45.42 H new ATOM 0 HG3 GLU A 54 5.515 -15.302 9.800 1.00 45.42 H new ATOM 963 N ASP A 63 -0.991 -20.371 10.359 1.00 1.43 N ATOM 964 CA ASP A 63 0.454 -20.615 10.219 1.00 15.25 C ATOM 965 C ASP A 63 0.767 -21.602 9.088 1.00 43.10 C ATOM 966 O ASP A 63 0.334 -22.757 9.105 1.00 22.32 O ATOM 967 CB ASP A 63 1.048 -21.131 11.537 1.00 62.22 C ATOM 968 CG ASP A 63 2.557 -21.331 11.464 1.00 62.44 C ATOM 969 OD1 ASP A 63 3.007 -22.435 11.086 1.00 31.43 O ATOM 970 OD2 ASP A 63 3.309 -20.382 11.778 1.00 71.15 O ATOM 0 HA ASP A 63 0.912 -19.659 9.965 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.817 -20.426 12.335 1.00 62.22 H new ATOM 0 HB3 ASP A 63 0.573 -22.076 11.800 1.00 62.22 H new ATOM 975 N ILE A 64 1.538 -21.118 8.121 1.00 35.01 N ATOM 976 CA ILE A 64 1.892 -21.866 6.913 1.00 74.34 C ATOM 977 C ILE A 64 2.633 -23.173 7.228 1.00 73.52 C ATOM 978 O ILE A 64 2.470 -24.171 6.520 1.00 13.12 O ATOM 979 CB ILE A 64 2.750 -20.961 5.984 1.00 55.31 C ATOM 980 CG1 ILE A 64 3.224 -21.716 4.735 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.945 -20.394 6.748 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.607 -20.809 3.589 1.00 23.31 C ATOM 0 H ILE A 64 1.942 -20.182 8.151 1.00 35.01 H new ATOM 0 HA ILE A 64 0.968 -22.147 6.408 1.00 74.34 H new ATOM 0 HB ILE A 64 2.118 -20.138 5.652 1.00 55.31 H new ATOM 0 HG12 ILE A 64 4.081 -22.336 4.999 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.433 -22.389 4.406 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.535 -19.763 6.084 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.590 -19.801 7.591 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.564 -21.213 7.115 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.932 -21.412 2.741 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.746 -20.207 3.298 1.00 23.31 H new ATOM 0 HD13 ILE A 64 4.420 -20.153 3.900 1.00 23.31 H new ATOM 994 N GLY A 65 3.417 -23.174 8.302 1.00 24.22 N ATOM 995 CA GLY A 65 4.191 -24.350 8.664 1.00 1.30 C ATOM 996 C GLY A 65 3.317 -25.492 9.145 1.00 31.50 C ATOM 997 O GLY A 65 3.601 -26.662 8.868 1.00 64.12 O ATOM 0 H GLY A 65 3.531 -22.379 8.931 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.772 -24.679 7.802 1.00 1.30 H new ATOM 0 HA3 GLY A 65 4.903 -24.086 9.446 1.00 1.30 H new ATOM 1001 N VAL A 66 2.243 -25.152 9.856 1.00 52.41 N ATOM 1002 CA VAL A 66 1.334 -26.154 10.415 1.00 10.01 C ATOM 1003 C VAL A 66 0.767 -27.059 9.317 1.00 22.33 C ATOM 1004 O VAL A 66 0.658 -28.275 9.498 1.00 54.21 O ATOM 1005 CB VAL A 66 0.165 -25.493 11.195 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.831 -26.542 11.697 1.00 35.32 C ATOM 1007 CG2 VAL A 66 0.699 -24.655 12.355 1.00 25.14 C ATOM 0 H VAL A 66 1.980 -24.188 10.059 1.00 52.41 H new ATOM 0 HA VAL A 66 1.918 -26.758 11.109 1.00 10.01 H new ATOM 0 HB VAL A 66 -0.365 -24.833 10.508 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.637 -26.048 12.239 1.00 35.32 H new ATOM 0 HG12 VAL A 66 -1.245 -27.087 10.848 1.00 35.32 H new ATOM 0 HG13 VAL A 66 -0.321 -27.239 12.362 1.00 35.32 H new ATOM 0 HG21 VAL A 66 -0.135 -24.200 12.889 1.00 25.14 H new ATOM 0 HG22 VAL A 66 1.262 -25.293 13.036 1.00 25.14 H new ATOM 0 HG23 VAL A 66 1.352 -23.873 11.968 1.00 25.14 H new ATOM 1017 N LEU A 67 0.430 -26.466 8.170 1.00 55.10 N ATOM 1018 CA LEU A 67 -0.153 -27.222 7.063 1.00 53.21 C ATOM 1019 C LEU A 67 0.777 -28.341 6.608 1.00 52.34 C ATOM 1020 O LEU A 67 0.323 -29.447 6.298 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.494 -26.310 5.876 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.688 -25.366 6.077 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.801 -26.043 6.878 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.258 -24.055 6.727 1.00 50.24 C ATOM 0 H LEU A 67 0.550 -25.470 7.985 1.00 55.10 H new ATOM 0 HA LEU A 67 -1.078 -27.665 7.432 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.384 -25.709 5.641 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.693 -26.937 5.007 1.00 43.44 H new ATOM 0 HG LEU A 67 -2.087 -25.128 5.091 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.632 -25.349 7.004 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -3.145 -26.929 6.345 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.420 -26.333 7.857 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -2.127 -23.410 6.855 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.812 -24.260 7.700 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.527 -23.556 6.091 1.00 50.24 H new ATOM 1036 N ILE A 68 2.074 -28.060 6.590 1.00 31.54 N ATOM 1037 CA ILE A 68 3.064 -29.045 6.170 1.00 2.51 C ATOM 1038 C ILE A 68 3.057 -30.242 7.124 1.00 51.44 C ATOM 1039 O ILE A 68 3.263 -31.384 6.708 1.00 60.32 O ATOM 1040 CB ILE A 68 4.488 -28.435 6.100 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.491 -27.187 5.201 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.499 -29.467 5.588 1.00 72.11 C ATOM 1043 CD1 ILE A 68 5.852 -26.530 5.066 1.00 31.33 C ATOM 0 H ILE A 68 2.465 -27.158 6.861 1.00 31.54 H new ATOM 0 HA ILE A 68 2.792 -29.377 5.168 1.00 2.51 H new ATOM 0 HB ILE A 68 4.784 -28.141 7.107 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.132 -27.464 4.210 1.00 32.52 H new ATOM 0 HG13 ILE A 68 3.786 -26.460 5.603 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.490 -29.016 5.548 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.517 -30.324 6.262 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.209 -29.796 4.590 1.00 72.11 H new ATOM 0 HD11 ILE A 68 5.772 -25.658 4.417 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.205 -26.220 6.049 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.558 -27.240 4.634 1.00 31.33 H new ATOM 1055 N THR A 69 2.782 -29.973 8.401 1.00 24.31 N ATOM 1056 CA THR A 69 2.718 -31.026 9.409 1.00 33.41 C ATOM 1057 C THR A 69 1.537 -31.949 9.116 1.00 42.44 C ATOM 1058 O THR A 69 1.574 -33.147 9.395 1.00 21.42 O ATOM 1059 CB THR A 69 2.571 -30.428 10.831 1.00 21.35 C ATOM 1060 OG1 THR A 69 3.598 -29.443 11.059 1.00 24.41 O ATOM 1061 CG2 THR A 69 2.657 -31.513 11.906 1.00 64.12 C ATOM 0 H THR A 69 2.601 -29.035 8.759 1.00 24.31 H new ATOM 0 HA THR A 69 3.648 -31.594 9.370 1.00 33.41 H new ATOM 0 HB THR A 69 1.589 -29.960 10.896 1.00 21.35 H new ATOM 0 HG1 THR A 69 3.498 -29.068 11.959 1.00 24.41 H new ATOM 0 HG21 THR A 69 2.550 -31.059 12.891 1.00 64.12 H new ATOM 0 HG22 THR A 69 1.860 -32.240 11.753 1.00 64.12 H new ATOM 0 HG23 THR A 69 3.623 -32.014 11.841 1.00 64.12 H new ATOM 1069 N GLN A 70 0.490 -31.371 8.532 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.710 -32.118 8.179 1.00 71.34 C ATOM 1071 C GLN A 70 -0.467 -32.939 6.915 1.00 10.03 C ATOM 1072 O GLN A 70 -0.703 -34.143 6.891 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.891 -31.159 7.970 1.00 31.34 C ATOM 1074 CG GLN A 70 -2.005 -30.091 9.056 1.00 51.21 C ATOM 1075 CD GLN A 70 -3.346 -29.373 9.059 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -3.968 -29.257 7.897 1.00 33.32 O flip ATOM 1077 NE2 GLN A 70 -3.821 -28.924 10.102 1.00 21.40 N flip ATOM 0 H GLN A 70 0.451 -30.380 8.293 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.952 -32.797 8.997 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.786 -30.671 7.001 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.816 -31.735 7.939 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.848 -30.555 10.030 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -1.209 -29.359 8.920 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -3.314 -29.031 10.981 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -4.721 -28.445 10.088 1.00 21.40 H new ATOM 1086 N MET A 71 0.043 -32.273 5.881 1.00 14.01 N ATOM 1087 CA MET A 71 0.288 -32.898 4.578 1.00 13.13 C ATOM 1088 C MET A 71 1.192 -34.122 4.702 1.00 21.22 C ATOM 1089 O MET A 71 1.000 -35.120 4.005 1.00 40.43 O ATOM 1090 CB MET A 71 0.932 -31.882 3.633 1.00 61.13 C ATOM 1091 CG MET A 71 0.014 -30.741 3.211 1.00 14.31 C ATOM 1092 SD MET A 71 0.917 -29.200 2.969 1.00 65.25 S ATOM 1093 CE MET A 71 2.371 -29.790 2.110 1.00 3.01 C ATOM 0 H MET A 71 0.299 -31.286 5.920 1.00 14.01 H new ATOM 0 HA MET A 71 -0.672 -33.226 4.178 1.00 13.13 H new ATOM 0 HB2 MET A 71 1.813 -31.462 4.118 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.277 -32.403 2.740 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.497 -31.010 2.287 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.755 -30.595 3.970 1.00 14.31 H new ATOM 0 HE1 MET A 71 2.764 -28.998 1.473 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.130 -30.081 2.836 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.107 -30.651 1.497 1.00 3.01 H new ATOM 1103 N THR A 72 2.180 -34.034 5.587 1.00 74.35 N ATOM 1104 CA THR A 72 3.161 -35.104 5.752 1.00 54.12 C ATOM 1105 C THR A 72 2.489 -36.370 6.288 1.00 21.40 C ATOM 1106 O THR A 72 2.991 -37.481 6.102 1.00 10.21 O ATOM 1107 CB THR A 72 4.317 -34.671 6.697 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.495 -35.449 6.434 1.00 54.05 O ATOM 1109 CG2 THR A 72 3.936 -34.818 8.168 1.00 32.34 C ATOM 0 H THR A 72 2.324 -33.233 6.202 1.00 74.35 H new ATOM 0 HA THR A 72 3.587 -35.317 4.771 1.00 54.12 H new ATOM 0 HB THR A 72 4.516 -33.618 6.499 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.215 -35.165 7.035 1.00 54.05 H new ATOM 0 HG21 THR A 72 4.772 -34.505 8.793 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.068 -34.194 8.383 1.00 32.34 H new ATOM 0 HG23 THR A 72 3.695 -35.860 8.379 1.00 32.34 H new ATOM 1117 N ASP A 73 1.345 -36.188 6.942 1.00 14.31 N ATOM 1118 CA ASP A 73 0.604 -37.294 7.544 1.00 73.20 C ATOM 1119 C ASP A 73 -0.540 -37.724 6.636 1.00 63.12 C ATOM 1120 O ASP A 73 -0.761 -38.914 6.406 1.00 62.50 O ATOM 1121 CB ASP A 73 0.050 -36.869 8.906 1.00 53.23 C ATOM 1122 CG ASP A 73 -0.654 -38.006 9.640 1.00 24.13 C ATOM 1123 OD1 ASP A 73 0.035 -38.952 10.074 1.00 73.12 O ATOM 1124 OD2 ASP A 73 -1.895 -37.955 9.796 1.00 61.41 O ATOM 0 H ASP A 73 0.907 -35.276 7.070 1.00 14.31 H new ATOM 0 HA ASP A 73 1.283 -38.136 7.677 1.00 73.20 H new ATOM 0 HB2 ASP A 73 0.866 -36.494 9.524 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.649 -36.044 8.767 1.00 53.23 H new ATOM 1129 N GLU A 74 -1.262 -36.737 6.126 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.395 -36.968 5.248 1.00 13.52 C ATOM 1131 C GLU A 74 -2.516 -35.820 4.249 1.00 52.34 C ATOM 1132 O GLU A 74 -2.691 -34.665 4.645 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.687 -37.084 6.074 1.00 65.33 C ATOM 1134 CG GLU A 74 -4.935 -37.347 5.237 1.00 22.12 C ATOM 1135 CD GLU A 74 -6.217 -37.250 6.048 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -6.773 -36.136 6.156 1.00 51.53 O ATOM 1137 OE2 GLU A 74 -6.683 -38.283 6.571 1.00 64.11 O ATOM 0 H GLU A 74 -1.076 -35.751 6.311 1.00 53.04 H new ATOM 0 HA GLU A 74 -2.240 -37.900 4.704 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.572 -37.889 6.799 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.829 -36.163 6.640 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -4.974 -36.631 4.416 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -4.866 -38.339 4.791 1.00 22.12 H new ATOM 1144 N MET A 75 -2.396 -36.124 2.960 1.00 3.01 N ATOM 1145 CA MET A 75 -2.578 -35.115 1.924 1.00 44.15 C ATOM 1146 C MET A 75 -4.067 -34.795 1.788 1.00 2.42 C ATOM 1147 O MET A 75 -4.915 -35.646 2.071 1.00 23.31 O ATOM 1148 CB MET A 75 -2.010 -35.597 0.578 1.00 64.55 C ATOM 1149 CG MET A 75 -2.869 -36.642 -0.124 1.00 34.12 C ATOM 1150 SD MET A 75 -2.102 -37.271 -1.634 1.00 53.33 S ATOM 1151 CE MET A 75 -2.024 -35.783 -2.630 1.00 73.05 C ATOM 0 H MET A 75 -2.175 -37.056 2.610 1.00 3.01 H new ATOM 0 HA MET A 75 -2.035 -34.214 2.210 1.00 44.15 H new ATOM 0 HB2 MET A 75 -1.891 -34.738 -0.082 1.00 64.55 H new ATOM 0 HB3 MET A 75 -1.016 -36.012 0.744 1.00 64.55 H new ATOM 0 HG2 MET A 75 -3.055 -37.472 0.558 1.00 34.12 H new ATOM 0 HG3 MET A 75 -3.838 -36.206 -0.367 1.00 34.12 H new ATOM 0 HE1 MET A 75 -1.828 -36.050 -3.668 1.00 73.05 H new ATOM 0 HE2 MET A 75 -2.973 -35.252 -2.565 1.00 73.05 H new ATOM 0 HE3 MET A 75 -1.223 -35.141 -2.263 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.411 -33.567 1.365 1.00 3.41 N ATOM 1162 CA PRO A 76 -5.809 -33.149 1.219 1.00 54.22 C ATOM 1163 C PRO A 76 -6.496 -33.852 0.039 1.00 61.51 C ATOM 1164 O PRO A 76 -6.904 -35.008 0.154 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.691 -31.632 1.001 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.358 -31.463 0.353 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.470 -32.488 1.003 1.00 32.14 C ATOM 0 HA PRO A 76 -6.427 -33.408 2.079 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.494 -31.256 0.366 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.748 -31.088 1.944 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.421 -31.622 -0.723 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -3.972 -30.455 0.504 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -2.696 -32.840 0.322 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -2.963 -32.084 1.880 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.597 -33.167 -1.095 1.00 42.15 N ATOM 1176 CA ARG A 77 -7.206 -33.722 -2.299 1.00 24.23 C ATOM 1177 C ARG A 77 -6.588 -33.065 -3.520 1.00 64.03 C ATOM 1178 O ARG A 77 -6.340 -31.863 -3.507 1.00 31.21 O ATOM 1179 CB ARG A 77 -8.727 -33.482 -2.304 1.00 34.31 C ATOM 1180 CG ARG A 77 -9.517 -34.407 -1.384 1.00 65.13 C ATOM 1181 CD ARG A 77 -9.363 -35.869 -1.788 1.00 35.21 C ATOM 1182 NE ARG A 77 -10.000 -36.774 -0.828 1.00 33.43 N ATOM 1183 CZ ARG A 77 -10.937 -37.669 -1.146 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -11.385 -37.751 -2.393 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -11.429 -38.474 -0.213 1.00 24.22 N ATOM 0 H ARG A 77 -6.259 -32.211 -1.206 1.00 42.15 H new ATOM 0 HA ARG A 77 -7.025 -34.797 -2.319 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -8.920 -32.450 -2.013 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.097 -33.600 -3.322 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -9.177 -34.276 -0.357 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -10.571 -34.132 -1.409 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -9.801 -36.020 -2.775 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -8.304 -36.113 -1.869 1.00 35.21 H new ATOM 0 HE ARG A 77 -9.708 -36.716 0.148 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -11.013 -37.129 -3.111 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -12.101 -38.436 -2.634 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -11.091 -38.409 0.747 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -12.145 -39.158 -0.456 1.00 24.22 H new ATOM 1199 N GLU A 78 -6.338 -33.840 -4.567 1.00 43.11 N ATOM 1200 CA GLU A 78 -5.797 -33.284 -5.803 1.00 10.22 C ATOM 1201 C GLU A 78 -6.835 -32.370 -6.447 1.00 23.31 C ATOM 1202 O GLU A 78 -6.496 -31.379 -7.091 1.00 30.35 O ATOM 1203 CB GLU A 78 -5.374 -34.401 -6.762 1.00 42.54 C ATOM 1204 CG GLU A 78 -4.344 -35.351 -6.160 1.00 21.42 C ATOM 1205 CD GLU A 78 -3.841 -36.386 -7.151 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -4.620 -37.291 -7.518 1.00 24.35 O ATOM 1207 OE2 GLU A 78 -2.662 -36.305 -7.558 1.00 3.12 O ATOM 0 H GLU A 78 -6.499 -34.847 -4.587 1.00 43.11 H new ATOM 0 HA GLU A 78 -4.908 -32.697 -5.572 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -6.255 -34.971 -7.057 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -4.963 -33.957 -7.668 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -3.499 -34.773 -5.787 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -4.785 -35.861 -5.303 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.104 -32.708 -6.231 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.219 -31.858 -6.634 1.00 62.11 C ATOM 1216 C GLU A 79 -9.102 -30.501 -5.942 1.00 42.33 C ATOM 1217 O GLU A 79 -9.348 -29.455 -6.540 1.00 30.53 O ATOM 1218 CB GLU A 79 -10.543 -32.545 -6.264 1.00 33.44 C ATOM 1219 CG GLU A 79 -11.795 -31.775 -6.673 1.00 54.04 C ATOM 1220 CD GLU A 79 -11.900 -31.561 -8.174 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -11.733 -32.540 -8.935 1.00 35.35 O ATOM 1222 OE2 GLU A 79 -12.175 -30.420 -8.601 1.00 35.41 O ATOM 0 H GLU A 79 -8.386 -33.575 -5.774 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.196 -31.701 -7.712 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -10.569 -33.529 -6.731 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -10.566 -32.703 -5.186 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -12.676 -32.315 -6.327 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -11.798 -30.807 -6.173 1.00 54.04 H new ATOM 1229 N ASP A 80 -8.695 -30.542 -4.678 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.482 -29.334 -3.888 1.00 23.21 C ATOM 1231 C ASP A 80 -7.216 -28.610 -4.341 1.00 50.24 C ATOM 1232 O ASP A 80 -7.165 -27.382 -4.359 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.376 -29.678 -2.395 1.00 4.30 C ATOM 1234 CG ASP A 80 -9.708 -30.009 -1.747 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -10.754 -29.525 -2.222 1.00 72.24 O ATOM 1236 OD2 ASP A 80 -9.707 -30.763 -0.752 1.00 34.04 O ATOM 0 H ASP A 80 -8.504 -31.408 -4.174 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.338 -28.676 -4.041 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -7.703 -30.527 -2.274 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -7.926 -28.836 -1.869 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.197 -29.381 -4.712 1.00 52.33 N ATOM 1242 CA ILE A 81 -4.919 -28.816 -5.140 1.00 75.11 C ATOM 1243 C ILE A 81 -5.092 -27.998 -6.423 1.00 23.01 C ATOM 1244 O ILE A 81 -4.614 -26.859 -6.514 1.00 54.32 O ATOM 1245 CB ILE A 81 -3.847 -29.922 -5.340 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -3.570 -30.639 -4.004 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -2.558 -29.332 -5.913 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -2.652 -31.842 -4.116 1.00 11.21 C ATOM 0 H ILE A 81 -6.231 -30.400 -4.725 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.570 -28.153 -4.349 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.230 -30.650 -6.055 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.130 -29.925 -3.307 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.519 -30.960 -3.575 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -1.822 -30.125 -6.044 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -2.767 -28.868 -6.877 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.165 -28.582 -5.227 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.511 -32.285 -3.130 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.097 -32.578 -4.785 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -1.687 -31.528 -4.513 1.00 11.21 H new ATOM 1260 N GLU A 82 -5.791 -28.564 -7.406 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.087 -27.828 -8.632 1.00 13.24 C ATOM 1262 C GLU A 82 -7.016 -26.658 -8.313 1.00 5.44 C ATOM 1263 O GLU A 82 -6.836 -25.554 -8.826 1.00 1.51 O ATOM 1264 CB GLU A 82 -6.713 -28.735 -9.705 1.00 73.20 C ATOM 1265 CG GLU A 82 -8.057 -29.338 -9.315 1.00 75.31 C ATOM 1266 CD GLU A 82 -8.769 -29.988 -10.488 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -8.460 -31.153 -10.810 1.00 2.33 O ATOM 1268 OE2 GLU A 82 -9.640 -29.329 -11.100 1.00 14.40 O ATOM 0 H GLU A 82 -6.158 -29.515 -7.379 1.00 20.30 H new ATOM 0 HA GLU A 82 -5.149 -27.449 -9.037 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -6.840 -28.159 -10.621 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -6.018 -29.544 -9.930 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -7.904 -30.080 -8.531 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -8.693 -28.558 -8.896 1.00 75.31 H new ATOM 1275 N ARG A 83 -7.981 -26.916 -7.431 1.00 62.13 N ATOM 1276 CA ARG A 83 -8.948 -25.914 -6.985 1.00 64.02 C ATOM 1277 C ARG A 83 -8.248 -24.663 -6.456 1.00 23.45 C ATOM 1278 O ARG A 83 -8.575 -23.541 -6.847 1.00 51.11 O ATOM 1279 CB ARG A 83 -9.838 -26.532 -5.895 1.00 1.04 C ATOM 1280 CG ARG A 83 -10.798 -25.565 -5.210 1.00 32.11 C ATOM 1281 CD ARG A 83 -11.596 -26.277 -4.120 1.00 70.23 C ATOM 1282 NE ARG A 83 -12.477 -25.365 -3.386 1.00 52.13 N ATOM 1283 CZ ARG A 83 -13.771 -25.600 -3.157 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -14.353 -26.676 -3.664 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -14.476 -24.749 -2.422 1.00 32.14 N ATOM 0 H ARG A 83 -8.115 -27.832 -7.003 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.560 -25.610 -7.834 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -10.419 -27.341 -6.339 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -9.196 -26.979 -5.136 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -10.239 -24.736 -4.776 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -11.479 -25.138 -5.946 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -12.193 -27.070 -4.570 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -10.907 -26.753 -3.422 1.00 70.23 H new ATOM 0 HE ARG A 83 -12.077 -24.498 -3.028 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -13.812 -27.329 -4.232 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -15.342 -26.852 -3.487 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -14.029 -23.918 -2.034 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -15.465 -24.926 -2.245 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.274 -24.864 -5.576 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.569 -23.749 -4.964 1.00 41.51 C ATOM 1301 C VAL A 84 -5.611 -23.091 -5.965 1.00 42.42 C ATOM 1302 O VAL A 84 -5.658 -21.878 -6.164 1.00 71.31 O ATOM 1303 CB VAL A 84 -5.809 -24.186 -3.677 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -4.670 -25.156 -3.983 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.302 -22.969 -2.905 1.00 65.02 C ATOM 0 H VAL A 84 -6.957 -25.785 -5.273 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.317 -23.012 -4.670 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.521 -24.720 -3.047 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.169 -25.433 -3.055 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -5.072 -26.050 -4.459 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -3.955 -24.678 -4.653 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -4.775 -23.300 -2.010 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.623 -22.395 -3.535 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.147 -22.343 -2.618 1.00 65.02 H new ATOM 1315 N ARG A 85 -4.777 -23.895 -6.631 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.761 -23.368 -7.549 1.00 63.21 C ATOM 1317 C ARG A 85 -4.387 -22.511 -8.651 1.00 31.04 C ATOM 1318 O ARG A 85 -3.842 -21.471 -9.015 1.00 74.34 O ATOM 1319 CB ARG A 85 -2.925 -24.503 -8.164 1.00 13.42 C ATOM 1320 CG ARG A 85 -3.623 -25.289 -9.270 1.00 50.13 C ATOM 1321 CD ARG A 85 -2.723 -26.389 -9.831 1.00 12.03 C ATOM 1322 NE ARG A 85 -3.421 -27.219 -10.814 1.00 64.53 N ATOM 1323 CZ ARG A 85 -2.989 -28.412 -11.229 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -1.831 -28.901 -10.799 1.00 14.52 N ATOM 1325 NH2 ARG A 85 -3.716 -29.107 -12.088 1.00 44.23 N ATOM 0 H ARG A 85 -4.785 -24.912 -6.552 1.00 32.12 H new ATOM 0 HA ARG A 85 -3.099 -22.731 -6.962 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -2.004 -24.080 -8.565 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -2.640 -25.195 -7.371 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -4.540 -25.731 -8.880 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -3.913 -24.610 -10.072 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -1.845 -25.938 -10.295 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -2.365 -27.017 -9.015 1.00 12.03 H new ATOM 0 HE ARG A 85 -4.293 -26.863 -11.207 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -1.262 -28.364 -10.145 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -1.511 -29.814 -11.123 1.00 14.52 H new ATOM 0 HH21 ARG A 85 -4.601 -28.731 -12.429 1.00 44.23 H new ATOM 0 HH22 ARG A 85 -3.392 -30.019 -12.409 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.539 -22.939 -9.167 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.223 -22.189 -10.226 1.00 61.13 C ATOM 1341 C ARG A 86 -6.752 -20.869 -9.671 1.00 43.24 C ATOM 1342 O ARG A 86 -6.722 -19.843 -10.347 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.364 -23.012 -10.852 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.491 -23.356 -9.885 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.525 -24.277 -10.520 1.00 34.11 C ATOM 1346 NE ARG A 86 -10.240 -23.627 -11.619 1.00 1.42 N ATOM 1347 CZ ARG A 86 -10.986 -24.272 -12.516 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -11.049 -25.598 -12.512 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -11.646 -23.586 -13.436 1.00 54.51 N ATOM 0 H ARG A 86 -6.016 -23.792 -8.874 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.501 -21.979 -11.015 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -7.779 -22.456 -11.693 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -6.951 -23.937 -11.255 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.075 -23.834 -8.998 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -8.977 -22.439 -9.554 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -9.031 -25.175 -10.891 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -10.240 -24.596 -9.762 1.00 34.11 H new ATOM 0 HE ARG A 86 -10.162 -22.614 -11.704 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -10.524 -26.131 -11.819 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -11.622 -26.083 -13.202 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -11.582 -22.568 -13.457 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -12.218 -24.075 -14.124 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.213 -20.907 -8.422 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.678 -19.708 -7.728 1.00 5.31 C ATOM 1365 C HIS A 87 -6.520 -18.729 -7.553 1.00 35.45 C ATOM 1366 O HIS A 87 -6.689 -17.521 -7.680 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.277 -20.085 -6.364 1.00 31.33 C ATOM 1368 CG HIS A 87 -8.728 -18.912 -5.533 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -9.983 -18.347 -5.634 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -8.084 -18.208 -4.566 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -10.090 -17.352 -4.770 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -8.953 -17.250 -4.109 1.00 10.01 N ATOM 0 H HIS A 87 -7.274 -21.761 -7.867 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.454 -19.228 -8.324 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.127 -20.748 -6.526 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.535 -20.650 -5.799 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -7.074 -18.372 -4.221 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -10.961 -16.729 -4.629 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -8.752 -16.569 -3.377 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.343 -19.277 -7.270 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.121 -18.488 -7.089 1.00 61.31 C ATOM 1383 C LEU A 88 -3.586 -17.982 -8.434 1.00 10.22 C ATOM 1384 O LEU A 88 -3.040 -16.872 -8.526 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.062 -19.342 -6.372 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.174 -19.399 -4.834 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -2.692 -18.091 -4.212 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -4.605 -19.689 -4.387 1.00 1.22 C ATOM 0 H LEU A 88 -5.205 -20.281 -7.159 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.354 -17.616 -6.478 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.120 -20.359 -6.760 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.076 -18.957 -6.632 1.00 25.40 H new ATOM 0 HG LEU A 88 -2.538 -20.215 -4.490 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -2.779 -18.150 -3.127 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -1.650 -17.921 -4.484 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.302 -17.266 -4.580 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -4.646 -19.722 -3.298 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.266 -18.903 -4.752 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -4.925 -20.649 -4.792 1.00 1.22 H new ATOM 1400 N ALA A 89 -3.764 -18.795 -9.475 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.311 -18.452 -10.824 1.00 61.34 C ATOM 1402 C ALA A 89 -3.950 -17.145 -11.291 1.00 73.12 C ATOM 1403 O ALA A 89 -3.390 -16.424 -12.118 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.637 -19.585 -11.795 1.00 24.15 C ATOM 0 H ALA A 89 -4.223 -19.704 -9.409 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.230 -18.313 -10.801 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.295 -19.317 -12.795 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -3.135 -20.497 -11.472 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.714 -19.751 -11.812 1.00 24.15 H new ATOM 1410 N LEU A 90 -5.126 -16.853 -10.741 1.00 4.52 N ATOM 1411 CA LEU A 90 -5.851 -15.623 -11.045 1.00 63.34 C ATOM 1412 C LEU A 90 -5.057 -14.393 -10.599 1.00 72.14 C ATOM 1413 O LEU A 90 -5.132 -13.333 -11.225 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.227 -15.645 -10.374 1.00 43.21 C ATOM 1415 CG LEU A 90 -8.133 -16.818 -10.791 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.462 -16.763 -10.051 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.356 -16.827 -12.303 1.00 12.44 C ATOM 0 H LEU A 90 -5.602 -17.461 -10.074 1.00 4.52 H new ATOM 0 HA LEU A 90 -5.985 -15.562 -12.125 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -7.088 -15.679 -9.293 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.740 -14.710 -10.600 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.629 -17.745 -10.519 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -10.086 -17.601 -10.361 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.283 -16.821 -8.977 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -9.970 -15.827 -10.284 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -8.999 -17.665 -12.571 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -8.831 -15.894 -12.606 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.397 -16.928 -12.812 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.304 -14.540 -9.509 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.403 -13.480 -9.050 1.00 44.25 C ATOM 1431 C GLN A 91 -2.071 -13.592 -9.778 1.00 0.14 C ATOM 1432 O GLN A 91 -1.376 -12.593 -9.986 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.178 -13.546 -7.529 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.396 -13.151 -6.697 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.544 -14.140 -6.792 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -5.220 -15.418 -6.901 1.00 23.24 O flip ATOM 1437 NE2 GLN A 91 -6.713 -13.763 -6.733 1.00 3.21 N flip ATOM 0 H GLN A 91 -4.299 -15.379 -8.929 1.00 52.33 H new ATOM 0 HA GLN A 91 -3.867 -12.520 -9.275 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -2.882 -14.560 -7.261 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.346 -12.892 -7.268 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.097 -13.054 -5.653 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -4.744 -12.170 -7.021 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -6.925 -12.769 -6.649 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -7.471 -14.445 -6.768 1.00 3.21 H new ATOM 1446 N GLY A 92 -1.721 -14.819 -10.149 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.509 -15.055 -10.918 1.00 34.23 C ATOM 1448 C GLY A 92 0.098 -16.411 -10.631 1.00 75.14 C ATOM 1449 O GLY A 92 -0.455 -17.193 -9.854 1.00 41.34 O ATOM 0 H GLY A 92 -2.257 -15.659 -9.930 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.735 -14.978 -11.981 1.00 34.23 H new ATOM 0 HA3 GLY A 92 0.220 -14.277 -10.691 1.00 34.23 H new ATOM 1453 N TRP A 93 1.244 -16.687 -11.250 1.00 61.24 N ATOM 1454 CA TRP A 93 1.939 -17.956 -11.056 1.00 33.44 C ATOM 1455 C TRP A 93 3.455 -17.728 -11.031 1.00 44.25 C ATOM 1456 O TRP A 93 4.170 -18.099 -11.964 1.00 71.23 O ATOM 1457 CB TRP A 93 1.554 -18.949 -12.168 1.00 43.23 C ATOM 1458 CG TRP A 93 2.006 -20.360 -11.908 1.00 30.43 C ATOM 1459 CD1 TRP A 93 3.102 -20.987 -12.433 1.00 31.35 C ATOM 1460 CD2 TRP A 93 1.363 -21.319 -11.059 1.00 22.14 C ATOM 1461 NE1 TRP A 93 3.177 -22.274 -11.962 1.00 14.44 N ATOM 1462 CE2 TRP A 93 2.120 -22.504 -11.119 1.00 25.43 C ATOM 1463 CE3 TRP A 93 0.218 -21.289 -10.258 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.769 -23.647 -10.404 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.130 -22.425 -9.551 1.00 15.35 C ATOM 1466 CH2 TRP A 93 0.643 -23.591 -9.629 1.00 55.20 C ATOM 0 H TRP A 93 1.711 -16.046 -11.892 1.00 61.24 H new ATOM 0 HA TRP A 93 1.639 -18.382 -10.098 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.471 -18.941 -12.289 1.00 43.23 H new ATOM 0 HB3 TRP A 93 1.983 -18.608 -13.110 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.805 -20.536 -13.118 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.902 -22.950 -12.201 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.384 -20.395 -10.193 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 2.365 -24.546 -10.460 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.012 -22.413 -8.928 1.00 15.35 H new ATOM 0 HH2 TRP A 93 0.344 -24.463 -9.066 1.00 55.20 H new ATOM 1477 N PRO A 94 3.970 -17.090 -9.960 1.00 44.24 N ATOM 1478 CA PRO A 94 5.409 -16.828 -9.818 1.00 44.31 C ATOM 1479 C PRO A 94 6.199 -18.121 -9.629 1.00 13.14 C ATOM 1480 O PRO A 94 7.402 -18.174 -9.888 1.00 65.31 O ATOM 1481 CB PRO A 94 5.506 -15.939 -8.564 1.00 70.01 C ATOM 1482 CG PRO A 94 4.108 -15.483 -8.287 1.00 24.04 C ATOM 1483 CD PRO A 94 3.203 -16.559 -8.820 1.00 52.13 C ATOM 0 HA PRO A 94 5.830 -16.356 -10.706 1.00 44.31 H new ATOM 0 HB2 PRO A 94 5.912 -16.495 -7.719 1.00 70.01 H new ATOM 0 HB3 PRO A 94 6.169 -15.091 -8.735 1.00 70.01 H new ATOM 0 HG2 PRO A 94 3.951 -15.336 -7.218 1.00 24.04 H new ATOM 0 HG3 PRO A 94 3.906 -14.528 -8.773 1.00 24.04 H new ATOM 0 HD2 PRO A 94 3.003 -17.327 -8.073 1.00 52.13 H new ATOM 0 HD3 PRO A 94 2.238 -16.159 -9.132 1.00 52.13 H new ATOM 1491 N LEU A 95 5.492 -19.170 -9.203 1.00 20.13 N ATOM 1492 CA LEU A 95 6.093 -20.482 -8.943 1.00 2.45 C ATOM 1493 C LEU A 95 6.762 -21.063 -10.189 1.00 23.05 C ATOM 1494 O LEU A 95 7.501 -22.048 -10.097 1.00 42.11 O ATOM 1495 CB LEU A 95 5.026 -21.463 -8.415 1.00 12.24 C ATOM 1496 CG LEU A 95 4.947 -21.604 -6.885 1.00 45.14 C ATOM 1497 CD1 LEU A 95 4.741 -20.252 -6.205 1.00 71.12 C ATOM 1498 CD2 LEU A 95 3.836 -22.578 -6.494 1.00 44.11 C ATOM 0 H LEU A 95 4.488 -19.135 -9.028 1.00 20.13 H new ATOM 0 HA LEU A 95 6.865 -20.341 -8.187 1.00 2.45 H new ATOM 0 HB2 LEU A 95 4.051 -21.143 -8.783 1.00 12.24 H new ATOM 0 HB3 LEU A 95 5.220 -22.447 -8.842 1.00 12.24 H new ATOM 0 HG LEU A 95 5.901 -22.004 -6.540 1.00 45.14 H new ATOM 0 HD11 LEU A 95 4.690 -20.392 -5.125 1.00 71.12 H new ATOM 0 HD12 LEU A 95 5.575 -19.592 -6.447 1.00 71.12 H new ATOM 0 HD13 LEU A 95 3.811 -19.805 -6.557 1.00 71.12 H new ATOM 0 HD21 LEU A 95 3.794 -22.666 -5.408 1.00 44.11 H new ATOM 0 HD22 LEU A 95 2.880 -22.208 -6.865 1.00 44.11 H new ATOM 0 HD23 LEU A 95 4.040 -23.556 -6.929 1.00 44.11 H new