USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=26 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 40 TYR OH : rot 158:sc= 0.465 USER MOD Set 1.2: A 71 THR OG1 : rot -116:sc= -0.241 USER MOD Set 2.1: A 18 SER OG : rot -18:sc= -0.56 USER MOD Set 2.2: A 74 ASN : amide:sc= -0.361 X(o=-0.92,f=-0.6) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.01 X(o=-1,f=-0.59) USER MOD Single : A 12 GLN : amide:sc=-0.00894 K(o=-0.0089,f=-0.8) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 20 SER OG : rot 79:sc= 0.659 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.298 F(o=-1.3,f=-0.3) USER MOD Single : A 35 GLN : amide:sc= 0.0757 X(o=0.076,f=-0.016) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0505 F(o=-2.2!,f=-0.05) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : A 43 SER OG : rot 77:sc= 0.905 USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00235 USER MOD Single : A 48 MET CE :methyl -166:sc= -0.983 (180deg=-1.4) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0229 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.321 K(o=-0.32,f=-1.6) USER MOD Single : A 63 MET CE :methyl 164:sc= -0.285 (180deg=-1.08) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.368 K(o=-0.37,f=-1.8) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 79 LYS NZ :NH3+ 155:sc= 0.799 (180deg=0.64) USER MOD Single : A 83 GLN : amide:sc= -0.315 K(o=-0.32,f=-0.84) USER MOD Single : A 84 GLN : amide:sc= -0.0192 K(o=-0.019,f=-2.4!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A1001 MET CE :methyl 161:sc= -0.164 (180deg=-0.593) USER MOD Single : A1002 THR OG1 : rot 180:sc=-0.00032 USER MOD Single : A1003 THR OG1 : rot 180:sc= 0 USER MOD Single : A1006 THR OG1 : rot -72:sc= 1.18 USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1014 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1018 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1019 MET CE :methyl -159:sc= -3.4! (180deg=-4.71!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 3.149 -5.104 23.301 1.00 2.34 N ATOM 21 CA THR A 2 2.027 -4.520 22.547 1.00 53.20 C ATOM 22 C THR A 2 2.490 -3.826 21.246 1.00 21.54 C ATOM 23 O THR A 2 1.845 -3.989 20.223 1.00 74.54 O ATOM 24 CB THR A 2 1.154 -3.545 23.425 1.00 4.31 C ATOM 25 OG1 THR A 2 -0.053 -3.210 22.718 1.00 21.31 O ATOM 26 CG2 THR A 2 1.885 -2.243 23.818 1.00 3.23 C ATOM 0 HA THR A 2 1.392 -5.359 22.263 1.00 53.20 H new ATOM 0 HB THR A 2 0.935 -4.078 24.350 1.00 4.31 H new ATOM 0 HG1 THR A 2 -0.596 -2.605 23.266 1.00 21.31 H new ATOM 0 HG21 THR A 2 1.223 -1.622 24.421 1.00 3.23 H new ATOM 0 HG22 THR A 2 2.778 -2.487 24.394 1.00 3.23 H new ATOM 0 HG23 THR A 2 2.171 -1.700 22.917 1.00 3.23 H new ATOM 34 N SER A 3 3.637 -3.111 21.286 1.00 5.44 N ATOM 35 CA SER A 3 4.164 -2.375 20.115 1.00 54.24 C ATOM 36 C SER A 3 4.813 -3.330 19.093 1.00 3.45 C ATOM 37 O SER A 3 4.821 -3.045 17.890 1.00 12.44 O ATOM 38 CB SER A 3 5.170 -1.300 20.574 1.00 50.41 C ATOM 39 OG SER A 3 4.570 -0.409 21.510 1.00 45.15 O ATOM 0 H SER A 3 4.217 -3.028 22.121 1.00 5.44 H new ATOM 0 HA SER A 3 3.327 -1.885 19.618 1.00 54.24 H new ATOM 0 HB2 SER A 3 6.038 -1.779 21.027 1.00 50.41 H new ATOM 0 HB3 SER A 3 5.529 -0.740 19.711 1.00 50.41 H new ATOM 0 HG SER A 3 5.226 0.263 21.789 1.00 45.15 H new ATOM 45 N THR A 4 5.358 -4.452 19.596 1.00 54.42 N ATOM 46 CA THR A 4 5.925 -5.524 18.762 1.00 3.25 C ATOM 47 C THR A 4 4.822 -6.164 17.897 1.00 31.03 C ATOM 48 O THR A 4 4.887 -6.123 16.653 1.00 31.35 O ATOM 49 CB THR A 4 6.616 -6.609 19.663 1.00 61.33 C ATOM 50 OG1 THR A 4 7.706 -6.020 20.384 1.00 45.34 O ATOM 51 CG2 THR A 4 7.115 -7.823 18.856 1.00 20.15 C ATOM 0 H THR A 4 5.417 -4.640 20.597 1.00 54.42 H new ATOM 0 HA THR A 4 6.678 -5.093 18.102 1.00 3.25 H new ATOM 0 HB THR A 4 5.862 -6.976 20.359 1.00 61.33 H new ATOM 0 HG1 THR A 4 8.132 -6.701 20.946 1.00 45.34 H new ATOM 0 HG21 THR A 4 7.584 -8.540 19.530 1.00 20.15 H new ATOM 0 HG22 THR A 4 6.272 -8.296 18.352 1.00 20.15 H new ATOM 0 HG23 THR A 4 7.843 -7.493 18.115 1.00 20.15 H new ATOM 59 N VAL A 5 3.785 -6.700 18.565 1.00 34.44 N ATOM 60 CA VAL A 5 2.654 -7.351 17.880 1.00 32.52 C ATOM 61 C VAL A 5 1.863 -6.324 17.037 1.00 31.22 C ATOM 62 O VAL A 5 1.339 -6.665 15.987 1.00 61.02 O ATOM 63 CB VAL A 5 1.720 -8.117 18.896 1.00 43.32 C ATOM 64 CG1 VAL A 5 1.035 -7.162 19.891 1.00 32.43 C ATOM 65 CG2 VAL A 5 0.688 -9.019 18.174 1.00 61.22 C ATOM 0 H VAL A 5 3.707 -6.695 19.582 1.00 34.44 H new ATOM 0 HA VAL A 5 3.059 -8.100 17.200 1.00 32.52 H new ATOM 0 HB VAL A 5 2.370 -8.772 19.476 1.00 43.32 H new ATOM 0 HG11 VAL A 5 0.403 -7.735 20.569 1.00 32.43 H new ATOM 0 HG12 VAL A 5 1.793 -6.629 20.465 1.00 32.43 H new ATOM 0 HG13 VAL A 5 0.423 -6.445 19.344 1.00 32.43 H new ATOM 0 HG21 VAL A 5 0.068 -9.526 18.913 1.00 61.22 H new ATOM 0 HG22 VAL A 5 0.057 -8.407 17.530 1.00 61.22 H new ATOM 0 HG23 VAL A 5 1.212 -9.760 17.570 1.00 61.22 H new ATOM 75 N GLU A 6 1.842 -5.054 17.494 1.00 54.22 N ATOM 76 CA GLU A 6 1.211 -3.934 16.771 1.00 61.14 C ATOM 77 C GLU A 6 1.859 -3.756 15.383 1.00 0.21 C ATOM 78 O GLU A 6 1.190 -3.834 14.354 1.00 74.34 O ATOM 79 CB GLU A 6 1.371 -2.630 17.600 1.00 35.03 C ATOM 80 CG GLU A 6 0.481 -1.461 17.183 1.00 53.53 C ATOM 81 CD GLU A 6 -1.012 -1.708 17.458 1.00 62.43 C ATOM 82 OE1 GLU A 6 -1.416 -1.666 18.638 1.00 24.42 O ATOM 83 OE2 GLU A 6 -1.785 -1.918 16.499 1.00 53.04 O ATOM 0 H GLU A 6 2.265 -4.777 18.380 1.00 54.22 H new ATOM 0 HA GLU A 6 0.152 -4.152 16.633 1.00 61.14 H new ATOM 0 HB2 GLU A 6 1.169 -2.860 18.646 1.00 35.03 H new ATOM 0 HB3 GLU A 6 2.411 -2.309 17.540 1.00 35.03 H new ATOM 0 HG2 GLU A 6 0.798 -0.564 17.714 1.00 53.53 H new ATOM 0 HG3 GLU A 6 0.621 -1.268 16.119 1.00 53.53 H new ATOM 90 N PHE A 7 3.191 -3.587 15.410 1.00 51.30 N ATOM 91 CA PHE A 7 4.026 -3.306 14.231 1.00 12.21 C ATOM 92 C PHE A 7 3.912 -4.460 13.206 1.00 20.21 C ATOM 93 O PHE A 7 3.500 -4.241 12.055 1.00 32.41 O ATOM 94 CB PHE A 7 5.494 -3.113 14.717 1.00 25.33 C ATOM 95 CG PHE A 7 6.473 -2.498 13.716 1.00 33.33 C ATOM 96 CD1 PHE A 7 7.618 -3.185 13.311 1.00 3.15 C ATOM 97 CD2 PHE A 7 6.279 -1.206 13.232 1.00 15.45 C ATOM 98 CE1 PHE A 7 8.533 -2.600 12.454 1.00 1.40 C ATOM 99 CE2 PHE A 7 7.191 -0.624 12.367 1.00 13.54 C ATOM 100 CZ PHE A 7 8.321 -1.319 11.984 1.00 41.32 C ATOM 0 H PHE A 7 3.730 -3.643 16.274 1.00 51.30 H new ATOM 0 HA PHE A 7 3.690 -2.399 13.728 1.00 12.21 H new ATOM 0 HB2 PHE A 7 5.478 -2.484 15.607 1.00 25.33 H new ATOM 0 HB3 PHE A 7 5.883 -4.085 15.020 1.00 25.33 H new ATOM 0 HD1 PHE A 7 7.792 -4.188 13.672 1.00 3.15 H new ATOM 0 HD2 PHE A 7 5.404 -0.650 13.536 1.00 15.45 H new ATOM 0 HE1 PHE A 7 9.415 -3.146 12.152 1.00 1.40 H new ATOM 0 HE2 PHE A 7 7.018 0.374 11.992 1.00 13.54 H new ATOM 0 HZ PHE A 7 9.038 -0.862 11.318 1.00 41.32 H new ATOM 110 N ILE A 8 4.196 -5.691 13.682 1.00 72.50 N ATOM 111 CA ILE A 8 4.228 -6.908 12.837 1.00 2.10 C ATOM 112 C ILE A 8 2.841 -7.213 12.228 1.00 11.22 C ATOM 113 O ILE A 8 2.740 -7.536 11.038 1.00 70.22 O ATOM 114 CB ILE A 8 4.728 -8.159 13.661 1.00 50.15 C ATOM 115 CG1 ILE A 8 6.113 -7.874 14.324 1.00 20.22 C ATOM 116 CG2 ILE A 8 4.810 -9.424 12.769 1.00 2.33 C ATOM 117 CD1 ILE A 8 6.579 -8.941 15.303 1.00 3.53 C ATOM 0 H ILE A 8 4.410 -5.871 14.663 1.00 72.50 H new ATOM 0 HA ILE A 8 4.929 -6.712 12.025 1.00 2.10 H new ATOM 0 HB ILE A 8 3.998 -8.345 14.449 1.00 50.15 H new ATOM 0 HG12 ILE A 8 6.862 -7.768 13.539 1.00 20.22 H new ATOM 0 HG13 ILE A 8 6.061 -6.919 14.846 1.00 20.22 H new ATOM 0 HG21 ILE A 8 5.157 -10.268 13.365 1.00 2.33 H new ATOM 0 HG22 ILE A 8 3.823 -9.648 12.363 1.00 2.33 H new ATOM 0 HG23 ILE A 8 5.507 -9.247 11.950 1.00 2.33 H new ATOM 0 HD11 ILE A 8 7.549 -8.659 15.714 1.00 3.53 H new ATOM 0 HD12 ILE A 8 5.855 -9.033 16.112 1.00 3.53 H new ATOM 0 HD13 ILE A 8 6.668 -9.896 14.785 1.00 3.53 H new ATOM 129 N ASN A 9 1.771 -7.090 13.051 1.00 34.33 N ATOM 130 CA ASN A 9 0.390 -7.417 12.611 1.00 52.03 C ATOM 131 C ASN A 9 -0.148 -6.375 11.624 1.00 63.11 C ATOM 132 O ASN A 9 -0.919 -6.722 10.722 1.00 14.02 O ATOM 133 CB ASN A 9 -0.589 -7.558 13.806 1.00 35.30 C ATOM 134 CG ASN A 9 -0.435 -8.853 14.607 1.00 22.14 C ATOM 135 OD1 ASN A 9 -1.423 -9.408 15.093 1.00 64.14 O ATOM 136 ND2 ASN A 9 0.789 -9.320 14.802 1.00 54.43 N ATOM 0 H ASN A 9 1.835 -6.769 14.017 1.00 34.33 H new ATOM 0 HA ASN A 9 0.453 -8.382 12.107 1.00 52.03 H new ATOM 0 HB2 ASN A 9 -0.446 -6.712 14.478 1.00 35.30 H new ATOM 0 HB3 ASN A 9 -1.611 -7.498 13.431 1.00 35.30 H new ATOM 0 HD21 ASN A 9 0.931 -10.158 15.366 1.00 54.43 H new ATOM 0 HD22 ASN A 9 1.589 -8.842 14.388 1.00 54.43 H new ATOM 143 N ARG A 10 0.247 -5.098 11.798 1.00 71.41 N ATOM 144 CA ARG A 10 -0.111 -4.038 10.835 1.00 24.52 C ATOM 145 C ARG A 10 0.529 -4.354 9.484 1.00 4.43 C ATOM 146 O ARG A 10 -0.182 -4.467 8.492 1.00 35.31 O ATOM 147 CB ARG A 10 0.303 -2.629 11.332 1.00 40.10 C ATOM 148 CG ARG A 10 -0.555 -2.100 12.499 1.00 13.30 C ATOM 149 CD ARG A 10 -0.058 -0.752 13.038 1.00 34.11 C ATOM 150 NE ARG A 10 -0.829 -0.306 14.211 1.00 70.23 N ATOM 151 CZ ARG A 10 -0.663 0.871 14.842 1.00 53.43 C ATOM 152 NH1 ARG A 10 0.239 1.734 14.419 1.00 4.43 N ATOM 153 NH2 ARG A 10 -1.393 1.156 15.914 1.00 2.42 N ATOM 0 H ARG A 10 0.808 -4.778 12.588 1.00 71.41 H new ATOM 0 HA ARG A 10 -1.196 -4.019 10.731 1.00 24.52 H new ATOM 0 HB2 ARG A 10 1.347 -2.657 11.645 1.00 40.10 H new ATOM 0 HB3 ARG A 10 0.239 -1.928 10.500 1.00 40.10 H new ATOM 0 HG2 ARG A 10 -1.588 -1.995 12.166 1.00 13.30 H new ATOM 0 HG3 ARG A 10 -0.553 -2.832 13.307 1.00 13.30 H new ATOM 0 HD2 ARG A 10 0.995 -0.836 13.307 1.00 34.11 H new ATOM 0 HD3 ARG A 10 -0.127 -0.000 12.252 1.00 34.11 H new ATOM 0 HE ARG A 10 -1.544 -0.938 14.573 1.00 70.23 H new ATOM 0 HH11 ARG A 10 0.817 1.512 13.608 1.00 4.43 H new ATOM 0 HH12 ARG A 10 0.359 2.624 14.902 1.00 4.43 H new ATOM 0 HH21 ARG A 10 -2.078 0.483 16.258 1.00 2.42 H new ATOM 0 HH22 ARG A 10 -1.268 2.048 16.393 1.00 2.42 H new ATOM 167 N TRP A 11 1.864 -4.584 9.482 1.00 23.50 N ATOM 168 CA TRP A 11 2.612 -4.973 8.264 1.00 74.14 C ATOM 169 C TRP A 11 2.018 -6.227 7.594 1.00 65.53 C ATOM 170 O TRP A 11 2.008 -6.330 6.360 1.00 2.03 O ATOM 171 CB TRP A 11 4.114 -5.207 8.576 1.00 53.40 C ATOM 172 CG TRP A 11 4.903 -3.940 8.753 1.00 54.22 C ATOM 173 CD1 TRP A 11 5.491 -3.476 9.886 1.00 72.33 C ATOM 174 CD2 TRP A 11 5.179 -2.966 7.737 1.00 23.23 C ATOM 175 NE1 TRP A 11 6.107 -2.284 9.643 1.00 62.12 N ATOM 176 CE2 TRP A 11 5.927 -1.943 8.337 1.00 43.42 C ATOM 177 CE3 TRP A 11 4.859 -2.857 6.383 1.00 11.14 C ATOM 178 CZ2 TRP A 11 6.374 -0.832 7.639 1.00 31.02 C ATOM 179 CZ3 TRP A 11 5.294 -1.752 5.691 1.00 25.40 C ATOM 180 CH2 TRP A 11 6.044 -0.748 6.320 1.00 10.43 C ATOM 0 H TRP A 11 2.447 -4.506 10.316 1.00 23.50 H new ATOM 0 HA TRP A 11 2.520 -4.141 7.566 1.00 74.14 H new ATOM 0 HB2 TRP A 11 4.198 -5.805 9.483 1.00 53.40 H new ATOM 0 HB3 TRP A 11 4.557 -5.789 7.768 1.00 53.40 H new ATOM 0 HD1 TRP A 11 5.473 -3.979 10.842 1.00 72.33 H new ATOM 0 HE1 TRP A 11 6.622 -1.734 10.331 1.00 62.12 H new ATOM 0 HE3 TRP A 11 4.282 -3.625 5.889 1.00 11.14 H new ATOM 0 HZ2 TRP A 11 6.960 -0.064 8.121 1.00 31.02 H new ATOM 0 HZ3 TRP A 11 5.054 -1.655 4.643 1.00 25.40 H new ATOM 0 HH2 TRP A 11 6.366 0.109 5.747 1.00 10.43 H new ATOM 191 N GLN A 12 1.526 -7.158 8.429 1.00 10.24 N ATOM 192 CA GLN A 12 0.834 -8.375 7.977 1.00 71.31 C ATOM 193 C GLN A 12 -0.402 -8.007 7.147 1.00 21.42 C ATOM 194 O GLN A 12 -0.522 -8.417 5.993 1.00 10.04 O ATOM 195 CB GLN A 12 0.413 -9.240 9.194 1.00 1.41 C ATOM 196 CG GLN A 12 -0.404 -10.499 8.843 1.00 21.01 C ATOM 197 CD GLN A 12 -1.049 -11.172 10.057 1.00 72.45 C ATOM 198 OE1 GLN A 12 -1.390 -10.514 11.046 1.00 3.10 O ATOM 199 NE2 GLN A 12 -1.233 -12.478 9.985 1.00 43.45 N ATOM 0 H GLN A 12 1.598 -7.086 9.444 1.00 10.24 H new ATOM 0 HA GLN A 12 1.520 -8.951 7.355 1.00 71.31 H new ATOM 0 HB2 GLN A 12 1.310 -9.545 9.732 1.00 1.41 H new ATOM 0 HB3 GLN A 12 -0.173 -8.623 9.875 1.00 1.41 H new ATOM 0 HG2 GLN A 12 -1.184 -10.228 8.132 1.00 21.01 H new ATOM 0 HG3 GLN A 12 0.247 -11.217 8.344 1.00 21.01 H new ATOM 0 HE21 GLN A 12 -0.939 -12.989 9.153 1.00 43.45 H new ATOM 0 HE22 GLN A 12 -1.669 -12.975 10.762 1.00 43.45 H new ATOM 208 N ARG A 13 -1.297 -7.195 7.746 1.00 33.41 N ATOM 209 CA ARG A 13 -2.559 -6.789 7.097 1.00 75.53 C ATOM 210 C ARG A 13 -2.310 -5.870 5.885 1.00 31.42 C ATOM 211 O ARG A 13 -3.102 -5.880 4.963 1.00 45.31 O ATOM 212 CB ARG A 13 -3.541 -6.118 8.109 1.00 72.54 C ATOM 213 CG ARG A 13 -4.426 -7.098 8.937 1.00 72.42 C ATOM 214 CD ARG A 13 -3.623 -8.012 9.876 1.00 34.01 C ATOM 215 NE ARG A 13 -4.482 -8.912 10.661 1.00 70.33 N ATOM 216 CZ ARG A 13 -4.413 -9.092 11.991 1.00 44.43 C ATOM 217 NH1 ARG A 13 -3.527 -8.437 12.728 1.00 52.53 N ATOM 218 NH2 ARG A 13 -5.238 -9.934 12.581 1.00 14.12 N ATOM 0 H ARG A 13 -1.168 -6.807 8.680 1.00 33.41 H new ATOM 0 HA ARG A 13 -3.030 -7.701 6.731 1.00 75.53 H new ATOM 0 HB2 ARG A 13 -2.961 -5.508 8.801 1.00 72.54 H new ATOM 0 HB3 ARG A 13 -4.195 -5.442 7.559 1.00 72.54 H new ATOM 0 HG2 ARG A 13 -5.138 -6.521 9.527 1.00 72.42 H new ATOM 0 HG3 ARG A 13 -5.007 -7.716 8.252 1.00 72.42 H new ATOM 0 HD2 ARG A 13 -2.923 -8.605 9.288 1.00 34.01 H new ATOM 0 HD3 ARG A 13 -3.030 -7.399 10.554 1.00 34.01 H new ATOM 0 HE ARG A 13 -5.189 -9.444 10.153 1.00 70.33 H new ATOM 0 HH11 ARG A 13 -2.881 -7.782 12.287 1.00 52.53 H new ATOM 0 HH12 ARG A 13 -3.491 -8.588 13.736 1.00 52.53 H new ATOM 0 HH21 ARG A 13 -5.926 -10.446 12.028 1.00 14.12 H new ATOM 0 HH22 ARG A 13 -5.189 -10.073 13.590 1.00 14.12 H new ATOM 232 N ILE A 14 -1.202 -5.098 5.893 1.00 2.12 N ATOM 233 CA ILE A 14 -0.827 -4.206 4.764 1.00 41.30 C ATOM 234 C ILE A 14 -0.374 -5.050 3.561 1.00 30.22 C ATOM 235 O ILE A 14 -0.696 -4.734 2.420 1.00 14.24 O ATOM 236 CB ILE A 14 0.314 -3.200 5.182 1.00 52.24 C ATOM 237 CG1 ILE A 14 -0.155 -2.287 6.347 1.00 24.21 C ATOM 238 CG2 ILE A 14 0.799 -2.333 3.996 1.00 52.14 C ATOM 239 CD1 ILE A 14 0.943 -1.434 6.940 1.00 74.32 C ATOM 0 H ILE A 14 -0.545 -5.072 6.673 1.00 2.12 H new ATOM 0 HA ILE A 14 -1.704 -3.621 4.487 1.00 41.30 H new ATOM 0 HB ILE A 14 1.157 -3.805 5.515 1.00 52.24 H new ATOM 0 HG12 ILE A 14 -0.952 -1.636 5.987 1.00 24.21 H new ATOM 0 HG13 ILE A 14 -0.582 -2.909 7.133 1.00 24.21 H new ATOM 0 HG21 ILE A 14 1.584 -1.658 4.336 1.00 52.14 H new ATOM 0 HG22 ILE A 14 1.191 -2.978 3.210 1.00 52.14 H new ATOM 0 HG23 ILE A 14 -0.036 -1.751 3.605 1.00 52.14 H new ATOM 0 HD11 ILE A 14 0.535 -0.825 7.747 1.00 74.32 H new ATOM 0 HD12 ILE A 14 1.731 -2.077 7.333 1.00 74.32 H new ATOM 0 HD13 ILE A 14 1.356 -0.784 6.168 1.00 74.32 H new ATOM 251 N ALA A 15 0.364 -6.132 3.854 1.00 12.31 N ATOM 252 CA ALA A 15 0.823 -7.096 2.839 1.00 65.03 C ATOM 253 C ALA A 15 -0.376 -7.853 2.224 1.00 2.32 C ATOM 254 O ALA A 15 -0.459 -8.030 0.996 1.00 44.31 O ATOM 255 CB ALA A 15 1.823 -8.068 3.473 1.00 51.41 C ATOM 0 H ALA A 15 0.660 -6.364 4.802 1.00 12.31 H new ATOM 0 HA ALA A 15 1.320 -6.558 2.032 1.00 65.03 H new ATOM 0 HB1 ALA A 15 2.163 -8.781 2.722 1.00 51.41 H new ATOM 0 HB2 ALA A 15 2.678 -7.511 3.858 1.00 51.41 H new ATOM 0 HB3 ALA A 15 1.341 -8.604 4.291 1.00 51.41 H new ATOM 261 N LEU A 16 -1.313 -8.265 3.105 1.00 44.24 N ATOM 262 CA LEU A 16 -2.565 -8.938 2.711 1.00 14.31 C ATOM 263 C LEU A 16 -3.449 -7.988 1.868 1.00 4.22 C ATOM 264 O LEU A 16 -4.012 -8.402 0.849 1.00 71.53 O ATOM 265 CB LEU A 16 -3.340 -9.428 3.973 1.00 13.51 C ATOM 266 CG LEU A 16 -2.642 -10.527 4.847 1.00 53.01 C ATOM 267 CD1 LEU A 16 -3.457 -10.827 6.133 1.00 32.40 C ATOM 268 CD2 LEU A 16 -2.385 -11.815 4.031 1.00 24.14 C ATOM 0 H LEU A 16 -1.220 -8.139 4.113 1.00 44.24 H new ATOM 0 HA LEU A 16 -2.313 -9.806 2.101 1.00 14.31 H new ATOM 0 HB2 LEU A 16 -3.538 -8.564 4.607 1.00 13.51 H new ATOM 0 HB3 LEU A 16 -4.307 -9.814 3.650 1.00 13.51 H new ATOM 0 HG LEU A 16 -1.673 -10.135 5.156 1.00 53.01 H new ATOM 0 HD11 LEU A 16 -2.946 -11.593 6.717 1.00 32.40 H new ATOM 0 HD12 LEU A 16 -3.547 -9.918 6.727 1.00 32.40 H new ATOM 0 HD13 LEU A 16 -4.451 -11.182 5.860 1.00 32.40 H new ATOM 0 HD21 LEU A 16 -1.900 -12.557 4.665 1.00 24.14 H new ATOM 0 HD22 LEU A 16 -3.333 -12.211 3.669 1.00 24.14 H new ATOM 0 HD23 LEU A 16 -1.740 -11.586 3.183 1.00 24.14 H new ATOM 280 N LEU A 17 -3.534 -6.708 2.300 1.00 71.12 N ATOM 281 CA LEU A 17 -4.325 -5.663 1.609 1.00 60.55 C ATOM 282 C LEU A 17 -3.746 -5.399 0.220 1.00 52.45 C ATOM 283 O LEU A 17 -4.464 -5.475 -0.758 1.00 52.41 O ATOM 284 CB LEU A 17 -4.382 -4.330 2.432 1.00 12.32 C ATOM 285 CG LEU A 17 -5.389 -4.289 3.627 1.00 70.21 C ATOM 286 CD1 LEU A 17 -5.196 -3.009 4.474 1.00 30.40 C ATOM 287 CD2 LEU A 17 -6.847 -4.410 3.126 1.00 0.40 C ATOM 0 H LEU A 17 -3.057 -6.371 3.136 1.00 71.12 H new ATOM 0 HA LEU A 17 -5.346 -6.033 1.513 1.00 60.55 H new ATOM 0 HB2 LEU A 17 -3.384 -4.126 2.820 1.00 12.32 H new ATOM 0 HB3 LEU A 17 -4.631 -3.518 1.749 1.00 12.32 H new ATOM 0 HG LEU A 17 -5.183 -5.146 4.268 1.00 70.21 H new ATOM 0 HD11 LEU A 17 -5.909 -3.007 5.298 1.00 30.40 H new ATOM 0 HD12 LEU A 17 -4.182 -2.986 4.872 1.00 30.40 H new ATOM 0 HD13 LEU A 17 -5.361 -2.131 3.849 1.00 30.40 H new ATOM 0 HD21 LEU A 17 -7.528 -4.379 3.977 1.00 0.40 H new ATOM 0 HD22 LEU A 17 -7.070 -3.583 2.452 1.00 0.40 H new ATOM 0 HD23 LEU A 17 -6.972 -5.354 2.595 1.00 0.40 H new ATOM 299 N SER A 18 -2.429 -5.141 0.151 1.00 71.41 N ATOM 300 CA SER A 18 -1.735 -4.816 -1.110 1.00 50.24 C ATOM 301 C SER A 18 -1.874 -5.959 -2.130 1.00 72.13 C ATOM 302 O SER A 18 -2.050 -5.709 -3.320 1.00 4.51 O ATOM 303 CB SER A 18 -0.244 -4.515 -0.847 1.00 34.13 C ATOM 304 OG SER A 18 0.414 -5.615 -0.240 1.00 50.00 O ATOM 0 H SER A 18 -1.815 -5.151 0.966 1.00 71.41 H new ATOM 0 HA SER A 18 -2.204 -3.926 -1.529 1.00 50.24 H new ATOM 0 HB2 SER A 18 0.249 -4.270 -1.788 1.00 34.13 H new ATOM 0 HB3 SER A 18 -0.157 -3.639 -0.204 1.00 34.13 H new ATOM 0 HG SER A 18 -0.252 -6.223 0.145 1.00 50.00 H new ATOM 310 N GLN A 19 -1.797 -7.207 -1.625 1.00 42.23 N ATOM 311 CA GLN A 19 -1.996 -8.432 -2.429 1.00 11.41 C ATOM 312 C GLN A 19 -3.435 -8.521 -2.990 1.00 33.11 C ATOM 313 O GLN A 19 -3.635 -8.760 -4.190 1.00 15.50 O ATOM 314 CB GLN A 19 -1.679 -9.665 -1.548 1.00 3.53 C ATOM 315 CG GLN A 19 -1.938 -11.033 -2.207 1.00 41.41 C ATOM 316 CD GLN A 19 -1.692 -12.233 -1.280 1.00 23.24 C ATOM 317 OE1 GLN A 19 -1.950 -12.076 0.020 1.00 72.54 O flip ATOM 318 NE2 GLN A 19 -1.302 -13.305 -1.737 1.00 54.55 N flip ATOM 0 H GLN A 19 -1.594 -7.395 -0.643 1.00 42.23 H new ATOM 0 HA GLN A 19 -1.322 -8.403 -3.285 1.00 11.41 H new ATOM 0 HB2 GLN A 19 -0.632 -9.617 -1.249 1.00 3.53 H new ATOM 0 HB3 GLN A 19 -2.274 -9.602 -0.637 1.00 3.53 H new ATOM 0 HG2 GLN A 19 -2.969 -11.065 -2.559 1.00 41.41 H new ATOM 0 HG3 GLN A 19 -1.298 -11.128 -3.084 1.00 41.41 H new ATOM 0 HE21 GLN A 19 -1.113 -13.395 -2.735 1.00 54.55 H new ATOM 0 HE22 GLN A 19 -1.168 -14.105 -1.118 1.00 54.55 H new ATOM 327 N SER A 20 -4.432 -8.308 -2.109 1.00 11.01 N ATOM 328 CA SER A 20 -5.865 -8.412 -2.467 1.00 23.21 C ATOM 329 C SER A 20 -6.267 -7.303 -3.458 1.00 10.12 C ATOM 330 O SER A 20 -6.941 -7.563 -4.457 1.00 2.11 O ATOM 331 CB SER A 20 -6.734 -8.338 -1.193 1.00 22.11 C ATOM 332 OG SER A 20 -6.461 -9.428 -0.328 1.00 12.43 O ATOM 0 H SER A 20 -4.271 -8.060 -1.133 1.00 11.01 H new ATOM 0 HA SER A 20 -6.030 -9.373 -2.953 1.00 23.21 H new ATOM 0 HB2 SER A 20 -6.544 -7.399 -0.673 1.00 22.11 H new ATOM 0 HB3 SER A 20 -7.789 -8.342 -1.467 1.00 22.11 H new ATOM 0 HG SER A 20 -5.635 -9.252 0.170 1.00 12.43 H new ATOM 338 N LEU A 21 -5.787 -6.086 -3.173 1.00 64.40 N ATOM 339 CA LEU A 21 -6.016 -4.880 -3.986 1.00 51.34 C ATOM 340 C LEU A 21 -5.297 -5.008 -5.335 1.00 2.54 C ATOM 341 O LEU A 21 -5.771 -4.487 -6.353 1.00 1.01 O ATOM 342 CB LEU A 21 -5.536 -3.619 -3.207 1.00 15.01 C ATOM 343 CG LEU A 21 -6.335 -3.278 -1.903 1.00 13.42 C ATOM 344 CD1 LEU A 21 -5.663 -2.136 -1.108 1.00 5.32 C ATOM 345 CD2 LEU A 21 -7.805 -2.944 -2.218 1.00 11.45 C ATOM 0 H LEU A 21 -5.213 -5.906 -2.349 1.00 64.40 H new ATOM 0 HA LEU A 21 -7.083 -4.773 -4.184 1.00 51.34 H new ATOM 0 HB2 LEU A 21 -4.487 -3.756 -2.943 1.00 15.01 H new ATOM 0 HB3 LEU A 21 -5.587 -2.760 -3.877 1.00 15.01 H new ATOM 0 HG LEU A 21 -6.323 -4.168 -1.274 1.00 13.42 H new ATOM 0 HD11 LEU A 21 -6.245 -1.926 -0.210 1.00 5.32 H new ATOM 0 HD12 LEU A 21 -4.654 -2.435 -0.825 1.00 5.32 H new ATOM 0 HD13 LEU A 21 -5.616 -1.240 -1.727 1.00 5.32 H new ATOM 0 HD21 LEU A 21 -8.332 -2.712 -1.292 1.00 11.45 H new ATOM 0 HD22 LEU A 21 -7.848 -2.083 -2.885 1.00 11.45 H new ATOM 0 HD23 LEU A 21 -8.277 -3.800 -2.700 1.00 11.45 H new ATOM 357 N LEU A 22 -4.155 -5.727 -5.324 1.00 64.32 N ATOM 358 CA LEU A 22 -3.416 -6.069 -6.542 1.00 32.33 C ATOM 359 C LEU A 22 -4.279 -6.934 -7.458 1.00 55.11 C ATOM 360 O LEU A 22 -4.437 -6.619 -8.636 1.00 42.02 O ATOM 361 CB LEU A 22 -2.086 -6.790 -6.208 1.00 43.40 C ATOM 362 CG LEU A 22 -1.248 -7.261 -7.430 1.00 23.25 C ATOM 363 CD1 LEU A 22 -0.955 -6.085 -8.383 1.00 50.00 C ATOM 364 CD2 LEU A 22 0.042 -7.976 -6.978 1.00 10.20 C ATOM 0 H LEU A 22 -3.726 -6.083 -4.470 1.00 64.32 H new ATOM 0 HA LEU A 22 -3.171 -5.142 -7.061 1.00 32.33 H new ATOM 0 HB2 LEU A 22 -1.472 -6.120 -5.607 1.00 43.40 H new ATOM 0 HB3 LEU A 22 -2.311 -7.658 -5.589 1.00 43.40 H new ATOM 0 HG LEU A 22 -1.837 -7.989 -7.987 1.00 23.25 H new ATOM 0 HD11 LEU A 22 -0.368 -6.440 -9.230 1.00 50.00 H new ATOM 0 HD12 LEU A 22 -1.894 -5.666 -8.744 1.00 50.00 H new ATOM 0 HD13 LEU A 22 -0.395 -5.316 -7.851 1.00 50.00 H new ATOM 0 HD21 LEU A 22 0.608 -8.294 -7.854 1.00 10.20 H new ATOM 0 HD22 LEU A 22 0.648 -7.292 -6.384 1.00 10.20 H new ATOM 0 HD23 LEU A 22 -0.217 -8.848 -6.377 1.00 10.20 H new ATOM 376 N GLU A 23 -4.863 -8.001 -6.884 1.00 33.10 N ATOM 377 CA GLU A 23 -5.739 -8.922 -7.624 1.00 44.02 C ATOM 378 C GLU A 23 -6.979 -8.195 -8.174 1.00 54.52 C ATOM 379 O GLU A 23 -7.404 -8.457 -9.308 1.00 32.45 O ATOM 380 CB GLU A 23 -6.136 -10.120 -6.731 1.00 72.20 C ATOM 381 CG GLU A 23 -4.943 -10.959 -6.232 1.00 62.11 C ATOM 382 CD GLU A 23 -4.091 -11.551 -7.372 1.00 75.23 C ATOM 383 OE1 GLU A 23 -4.364 -12.690 -7.805 1.00 61.25 O ATOM 384 OE2 GLU A 23 -3.152 -10.872 -7.855 1.00 22.02 O ATOM 0 H GLU A 23 -4.741 -8.246 -5.901 1.00 33.10 H new ATOM 0 HA GLU A 23 -5.186 -9.306 -8.481 1.00 44.02 H new ATOM 0 HB2 GLU A 23 -6.690 -9.748 -5.869 1.00 72.20 H new ATOM 0 HB3 GLU A 23 -6.812 -10.767 -7.290 1.00 72.20 H new ATOM 0 HG2 GLU A 23 -4.309 -10.336 -5.601 1.00 62.11 H new ATOM 0 HG3 GLU A 23 -5.315 -11.771 -5.607 1.00 62.11 H new ATOM 391 N LEU A 24 -7.510 -7.233 -7.389 1.00 32.00 N ATOM 392 CA LEU A 24 -8.642 -6.398 -7.822 1.00 50.51 C ATOM 393 C LEU A 24 -8.248 -5.589 -9.071 1.00 44.32 C ATOM 394 O LEU A 24 -8.977 -5.566 -10.053 1.00 54.52 O ATOM 395 CB LEU A 24 -9.107 -5.450 -6.686 1.00 5.13 C ATOM 396 CG LEU A 24 -9.657 -6.137 -5.397 1.00 45.35 C ATOM 397 CD1 LEU A 24 -10.023 -5.082 -4.343 1.00 1.52 C ATOM 398 CD2 LEU A 24 -10.851 -7.068 -5.704 1.00 25.23 C ATOM 0 H LEU A 24 -7.170 -7.018 -6.452 1.00 32.00 H new ATOM 0 HA LEU A 24 -9.477 -7.053 -8.070 1.00 50.51 H new ATOM 0 HB2 LEU A 24 -8.267 -4.815 -6.404 1.00 5.13 H new ATOM 0 HB3 LEU A 24 -9.883 -4.795 -7.083 1.00 5.13 H new ATOM 0 HG LEU A 24 -8.866 -6.767 -4.991 1.00 45.35 H new ATOM 0 HD11 LEU A 24 -10.405 -5.577 -3.450 1.00 1.52 H new ATOM 0 HD12 LEU A 24 -9.137 -4.502 -4.085 1.00 1.52 H new ATOM 0 HD13 LEU A 24 -10.788 -4.417 -4.744 1.00 1.52 H new ATOM 0 HD21 LEU A 24 -11.203 -7.526 -4.779 1.00 25.23 H new ATOM 0 HD22 LEU A 24 -11.658 -6.489 -6.152 1.00 25.23 H new ATOM 0 HD23 LEU A 24 -10.536 -7.848 -6.397 1.00 25.23 H new ATOM 410 N ALA A 25 -7.043 -4.994 -9.033 1.00 33.44 N ATOM 411 CA ALA A 25 -6.508 -4.192 -10.147 1.00 12.25 C ATOM 412 C ALA A 25 -6.191 -5.057 -11.387 1.00 31.11 C ATOM 413 O ALA A 25 -6.330 -4.593 -12.524 1.00 75.32 O ATOM 414 CB ALA A 25 -5.271 -3.407 -9.688 1.00 62.23 C ATOM 0 H ALA A 25 -6.414 -5.055 -8.232 1.00 33.44 H new ATOM 0 HA ALA A 25 -7.281 -3.485 -10.448 1.00 12.25 H new ATOM 0 HB1 ALA A 25 -4.884 -2.818 -10.520 1.00 62.23 H new ATOM 0 HB2 ALA A 25 -5.545 -2.742 -8.869 1.00 62.23 H new ATOM 0 HB3 ALA A 25 -4.504 -4.103 -9.349 1.00 62.23 H new ATOM 420 N GLN A 26 -5.788 -6.320 -11.148 1.00 54.02 N ATOM 421 CA GLN A 26 -5.514 -7.304 -12.217 1.00 22.22 C ATOM 422 C GLN A 26 -6.809 -7.688 -12.962 1.00 2.44 C ATOM 423 O GLN A 26 -6.786 -7.920 -14.173 1.00 52.22 O ATOM 424 CB GLN A 26 -4.841 -8.579 -11.626 1.00 25.25 C ATOM 425 CG GLN A 26 -3.416 -8.370 -11.063 1.00 10.14 C ATOM 426 CD GLN A 26 -2.384 -7.909 -12.103 1.00 12.15 C ATOM 427 OE1 GLN A 26 -1.344 -7.222 -11.658 1.00 50.04 O flip ATOM 428 NE2 GLN A 26 -2.496 -8.205 -13.293 1.00 11.53 N flip ATOM 0 H GLN A 26 -5.643 -6.688 -10.208 1.00 54.02 H new ATOM 0 HA GLN A 26 -4.831 -6.842 -12.930 1.00 22.22 H new ATOM 0 HB2 GLN A 26 -5.475 -8.969 -10.830 1.00 25.25 H new ATOM 0 HB3 GLN A 26 -4.799 -9.342 -12.403 1.00 25.25 H new ATOM 0 HG2 GLN A 26 -3.460 -7.633 -10.261 1.00 10.14 H new ATOM 0 HG3 GLN A 26 -3.073 -9.304 -10.619 1.00 10.14 H new ATOM 0 HE21 GLN A 26 -3.307 -8.735 -13.613 1.00 11.53 H new ATOM 0 HE22 GLN A 26 -1.778 -7.920 -13.959 1.00 11.53 H new ATOM 437 N ARG A 27 -7.929 -7.778 -12.215 1.00 54.14 N ATOM 438 CA ARG A 27 -9.261 -8.095 -12.796 1.00 52.40 C ATOM 439 C ARG A 27 -9.964 -6.825 -13.320 1.00 12.24 C ATOM 440 O ARG A 27 -10.792 -6.899 -14.237 1.00 35.31 O ATOM 441 CB ARG A 27 -10.175 -8.838 -11.759 1.00 14.32 C ATOM 442 CG ARG A 27 -9.908 -10.369 -11.602 1.00 12.23 C ATOM 443 CD ARG A 27 -8.492 -10.695 -11.104 1.00 42.44 C ATOM 444 NE ARG A 27 -8.223 -12.138 -10.997 1.00 31.22 N ATOM 445 CZ ARG A 27 -7.112 -12.661 -10.446 1.00 74.24 C ATOM 446 NH1 ARG A 27 -6.162 -11.868 -9.949 1.00 51.24 N ATOM 447 NH2 ARG A 27 -6.957 -13.975 -10.404 1.00 61.11 N ATOM 0 H ARG A 27 -7.942 -7.636 -11.205 1.00 54.14 H new ATOM 0 HA ARG A 27 -9.092 -8.763 -13.641 1.00 52.40 H new ATOM 0 HB2 ARG A 27 -10.050 -8.364 -10.786 1.00 14.32 H new ATOM 0 HB3 ARG A 27 -11.215 -8.697 -12.051 1.00 14.32 H new ATOM 0 HG2 ARG A 27 -10.635 -10.787 -10.906 1.00 12.23 H new ATOM 0 HG3 ARG A 27 -10.069 -10.858 -12.563 1.00 12.23 H new ATOM 0 HD2 ARG A 27 -7.765 -10.248 -11.782 1.00 42.44 H new ATOM 0 HD3 ARG A 27 -8.344 -10.233 -10.128 1.00 42.44 H new ATOM 0 HE ARG A 27 -8.923 -12.783 -11.364 1.00 31.22 H new ATOM 0 HH11 ARG A 27 -6.273 -10.855 -9.984 1.00 51.24 H new ATOM 0 HH12 ARG A 27 -5.324 -12.275 -9.534 1.00 51.24 H new ATOM 0 HH21 ARG A 27 -7.678 -14.586 -10.788 1.00 61.11 H new ATOM 0 HH22 ARG A 27 -6.117 -14.376 -9.988 1.00 61.11 H new ATOM 461 N GLY A 28 -9.602 -5.664 -12.751 1.00 25.13 N ATOM 462 CA GLY A 28 -10.250 -4.387 -13.074 1.00 41.55 C ATOM 463 C GLY A 28 -11.362 -3.994 -12.107 1.00 14.35 C ATOM 464 O GLY A 28 -12.178 -3.120 -12.414 1.00 40.43 O ATOM 0 H GLY A 28 -8.857 -5.586 -12.059 1.00 25.13 H new ATOM 0 HA2 GLY A 28 -9.495 -3.600 -13.083 1.00 41.55 H new ATOM 0 HA3 GLY A 28 -10.662 -4.445 -14.081 1.00 41.55 H new ATOM 468 N GLU A 29 -11.397 -4.650 -10.940 1.00 73.04 N ATOM 469 CA GLU A 29 -12.338 -4.335 -9.854 1.00 42.14 C ATOM 470 C GLU A 29 -11.930 -3.017 -9.146 1.00 61.33 C ATOM 471 O GLU A 29 -11.311 -3.035 -8.070 1.00 61.35 O ATOM 472 CB GLU A 29 -12.394 -5.517 -8.844 1.00 64.45 C ATOM 473 CG GLU A 29 -12.616 -6.908 -9.471 1.00 71.35 C ATOM 474 CD GLU A 29 -13.951 -7.026 -10.230 1.00 52.25 C ATOM 475 OE1 GLU A 29 -14.984 -7.325 -9.592 1.00 32.22 O ATOM 476 OE2 GLU A 29 -13.975 -6.828 -11.462 1.00 65.32 O ATOM 0 H GLU A 29 -10.768 -5.422 -10.720 1.00 73.04 H new ATOM 0 HA GLU A 29 -13.333 -4.193 -10.276 1.00 42.14 H new ATOM 0 HB2 GLU A 29 -11.462 -5.536 -8.279 1.00 64.45 H new ATOM 0 HB3 GLU A 29 -13.195 -5.326 -8.130 1.00 64.45 H new ATOM 0 HG2 GLU A 29 -11.796 -7.126 -10.155 1.00 71.35 H new ATOM 0 HG3 GLU A 29 -12.584 -7.663 -8.685 1.00 71.35 H new ATOM 483 N TRP A 30 -12.262 -1.878 -9.784 1.00 74.14 N ATOM 484 CA TRP A 30 -11.884 -0.535 -9.298 1.00 41.14 C ATOM 485 C TRP A 30 -12.751 -0.097 -8.113 1.00 23.14 C ATOM 486 O TRP A 30 -12.291 0.655 -7.266 1.00 33.31 O ATOM 487 CB TRP A 30 -11.972 0.536 -10.424 1.00 14.04 C ATOM 488 CG TRP A 30 -11.293 0.164 -11.728 1.00 12.13 C ATOM 489 CD1 TRP A 30 -11.825 0.277 -12.981 1.00 51.15 C ATOM 490 CD2 TRP A 30 -9.970 -0.377 -11.913 1.00 24.21 C ATOM 491 NE1 TRP A 30 -10.935 -0.168 -13.917 1.00 33.51 N ATOM 492 CE2 TRP A 30 -9.793 -0.571 -13.294 1.00 64.35 C ATOM 493 CE3 TRP A 30 -8.928 -0.724 -11.054 1.00 43.04 C ATOM 494 CZ2 TRP A 30 -8.625 -1.091 -13.828 1.00 71.53 C ATOM 495 CZ3 TRP A 30 -7.767 -1.234 -11.589 1.00 51.31 C ATOM 496 CH2 TRP A 30 -7.621 -1.417 -12.965 1.00 51.41 C ATOM 0 H TRP A 30 -12.800 -1.862 -10.651 1.00 74.14 H new ATOM 0 HA TRP A 30 -10.848 -0.612 -8.969 1.00 41.14 H new ATOM 0 HB2 TRP A 30 -13.023 0.741 -10.627 1.00 14.04 H new ATOM 0 HB3 TRP A 30 -11.532 1.463 -10.056 1.00 14.04 H new ATOM 0 HD1 TRP A 30 -12.809 0.663 -13.201 1.00 51.15 H new ATOM 0 HE1 TRP A 30 -11.100 -0.194 -14.923 1.00 33.51 H new ATOM 0 HE3 TRP A 30 -9.030 -0.595 -9.987 1.00 43.04 H new ATOM 0 HZ2 TRP A 30 -8.514 -1.233 -14.893 1.00 71.53 H new ATOM 0 HZ3 TRP A 30 -6.952 -1.498 -10.931 1.00 51.31 H new ATOM 0 HH2 TRP A 30 -6.698 -1.823 -13.352 1.00 51.41 H new ATOM 507 N ASP A 31 -14.003 -0.572 -8.072 1.00 74.25 N ATOM 508 CA ASP A 31 -14.983 -0.181 -7.033 1.00 34.14 C ATOM 509 C ASP A 31 -14.538 -0.650 -5.630 1.00 22.50 C ATOM 510 O ASP A 31 -14.520 0.136 -4.667 1.00 13.14 O ATOM 511 CB ASP A 31 -16.379 -0.749 -7.390 1.00 55.32 C ATOM 512 CG ASP A 31 -17.453 -0.420 -6.337 1.00 34.54 C ATOM 513 OD1 ASP A 31 -17.888 0.752 -6.268 1.00 74.35 O ATOM 514 OD2 ASP A 31 -17.859 -1.321 -5.570 1.00 22.51 O ATOM 0 H ASP A 31 -14.371 -1.236 -8.753 1.00 74.25 H new ATOM 0 HA ASP A 31 -15.040 0.907 -7.005 1.00 34.14 H new ATOM 0 HB2 ASP A 31 -16.691 -0.350 -8.355 1.00 55.32 H new ATOM 0 HB3 ASP A 31 -16.307 -1.831 -7.501 1.00 55.32 H new ATOM 519 N LEU A 32 -14.175 -1.940 -5.535 1.00 25.21 N ATOM 520 CA LEU A 32 -13.634 -2.534 -4.298 1.00 4.03 C ATOM 521 C LEU A 32 -12.248 -1.948 -3.971 1.00 54.30 C ATOM 522 O LEU A 32 -11.866 -1.858 -2.799 1.00 21.10 O ATOM 523 CB LEU A 32 -13.552 -4.078 -4.413 1.00 62.40 C ATOM 524 CG LEU A 32 -14.905 -4.849 -4.517 1.00 1.01 C ATOM 525 CD1 LEU A 32 -14.655 -6.369 -4.668 1.00 53.55 C ATOM 526 CD2 LEU A 32 -15.821 -4.540 -3.304 1.00 63.41 C ATOM 0 H LEU A 32 -14.247 -2.599 -6.310 1.00 25.21 H new ATOM 0 HA LEU A 32 -14.315 -2.287 -3.484 1.00 4.03 H new ATOM 0 HB2 LEU A 32 -12.954 -4.322 -5.291 1.00 62.40 H new ATOM 0 HB3 LEU A 32 -13.012 -4.455 -3.544 1.00 62.40 H new ATOM 0 HG LEU A 32 -15.426 -4.505 -5.411 1.00 1.01 H new ATOM 0 HD11 LEU A 32 -15.610 -6.890 -4.739 1.00 53.55 H new ATOM 0 HD12 LEU A 32 -14.073 -6.554 -5.571 1.00 53.55 H new ATOM 0 HD13 LEU A 32 -14.106 -6.735 -3.801 1.00 53.55 H new ATOM 0 HD21 LEU A 32 -16.756 -5.091 -3.404 1.00 63.41 H new ATOM 0 HD22 LEU A 32 -15.320 -4.840 -2.384 1.00 63.41 H new ATOM 0 HD23 LEU A 32 -16.032 -3.471 -3.270 1.00 63.41 H new ATOM 538 N LEU A 33 -11.508 -1.555 -5.025 1.00 33.12 N ATOM 539 CA LEU A 33 -10.197 -0.906 -4.889 1.00 41.02 C ATOM 540 C LEU A 33 -10.353 0.471 -4.196 1.00 1.33 C ATOM 541 O LEU A 33 -9.579 0.808 -3.301 1.00 24.45 O ATOM 542 CB LEU A 33 -9.527 -0.749 -6.286 1.00 52.04 C ATOM 543 CG LEU A 33 -8.002 -0.424 -6.288 1.00 12.52 C ATOM 544 CD1 LEU A 33 -7.186 -1.611 -5.755 1.00 10.40 C ATOM 545 CD2 LEU A 33 -7.511 -0.018 -7.686 1.00 35.20 C ATOM 0 H LEU A 33 -11.805 -1.680 -5.993 1.00 33.12 H new ATOM 0 HA LEU A 33 -9.554 -1.532 -4.270 1.00 41.02 H new ATOM 0 HB2 LEU A 33 -9.681 -1.672 -6.845 1.00 52.04 H new ATOM 0 HB3 LEU A 33 -10.046 0.042 -6.828 1.00 52.04 H new ATOM 0 HG LEU A 33 -7.851 0.426 -5.622 1.00 12.52 H new ATOM 0 HD11 LEU A 33 -6.126 -1.358 -5.767 1.00 10.40 H new ATOM 0 HD12 LEU A 33 -7.494 -1.835 -4.734 1.00 10.40 H new ATOM 0 HD13 LEU A 33 -7.358 -2.483 -6.386 1.00 10.40 H new ATOM 0 HD21 LEU A 33 -6.444 0.201 -7.648 1.00 35.20 H new ATOM 0 HD22 LEU A 33 -7.689 -0.835 -8.386 1.00 35.20 H new ATOM 0 HD23 LEU A 33 -8.051 0.868 -8.018 1.00 35.20 H new ATOM 557 N LEU A 34 -11.406 1.219 -4.598 1.00 11.43 N ATOM 558 CA LEU A 34 -11.732 2.558 -4.048 1.00 14.24 C ATOM 559 C LEU A 34 -12.284 2.452 -2.613 1.00 22.32 C ATOM 560 O LEU A 34 -12.026 3.321 -1.774 1.00 4.22 O ATOM 561 CB LEU A 34 -12.768 3.291 -4.960 1.00 70.23 C ATOM 562 CG LEU A 34 -12.289 3.651 -6.405 1.00 51.23 C ATOM 563 CD1 LEU A 34 -13.394 4.367 -7.222 1.00 63.02 C ATOM 564 CD2 LEU A 34 -10.992 4.475 -6.364 1.00 42.03 C ATOM 0 H LEU A 34 -12.059 0.910 -5.318 1.00 11.43 H new ATOM 0 HA LEU A 34 -10.809 3.137 -4.021 1.00 14.24 H new ATOM 0 HB2 LEU A 34 -13.656 2.664 -5.041 1.00 70.23 H new ATOM 0 HB3 LEU A 34 -13.072 4.211 -4.461 1.00 70.23 H new ATOM 0 HG LEU A 34 -12.075 2.715 -6.921 1.00 51.23 H new ATOM 0 HD11 LEU A 34 -13.018 4.598 -8.219 1.00 63.02 H new ATOM 0 HD12 LEU A 34 -14.265 3.716 -7.305 1.00 63.02 H new ATOM 0 HD13 LEU A 34 -13.678 5.291 -6.718 1.00 63.02 H new ATOM 0 HD21 LEU A 34 -10.680 4.713 -7.381 1.00 42.03 H new ATOM 0 HD22 LEU A 34 -11.165 5.399 -5.812 1.00 42.03 H new ATOM 0 HD23 LEU A 34 -10.210 3.898 -5.870 1.00 42.03 H new ATOM 576 N GLN A 35 -13.050 1.381 -2.354 1.00 43.15 N ATOM 577 CA GLN A 35 -13.656 1.125 -1.033 1.00 3.24 C ATOM 578 C GLN A 35 -12.567 0.864 0.026 1.00 43.40 C ATOM 579 O GLN A 35 -12.576 1.437 1.119 1.00 73.11 O ATOM 580 CB GLN A 35 -14.623 -0.092 -1.123 1.00 34.41 C ATOM 581 CG GLN A 35 -15.388 -0.431 0.178 1.00 32.51 C ATOM 582 CD GLN A 35 -16.213 0.742 0.724 1.00 60.23 C ATOM 583 OE1 GLN A 35 -17.367 0.932 0.352 1.00 14.22 O ATOM 584 NE2 GLN A 35 -15.629 1.530 1.611 1.00 21.41 N ATOM 0 H GLN A 35 -13.268 0.668 -3.051 1.00 43.15 H new ATOM 0 HA GLN A 35 -14.219 2.008 -0.731 1.00 3.24 H new ATOM 0 HB2 GLN A 35 -15.350 0.101 -1.912 1.00 34.41 H new ATOM 0 HB3 GLN A 35 -14.050 -0.968 -1.426 1.00 34.41 H new ATOM 0 HG2 GLN A 35 -16.051 -1.276 -0.009 1.00 32.51 H new ATOM 0 HG3 GLN A 35 -14.674 -0.748 0.938 1.00 32.51 H new ATOM 0 HE21 GLN A 35 -14.668 1.347 1.901 1.00 21.41 H new ATOM 0 HE22 GLN A 35 -16.139 2.321 2.005 1.00 21.41 H new ATOM 593 N GLN A 36 -11.643 -0.022 -0.332 1.00 65.41 N ATOM 594 CA GLN A 36 -10.559 -0.502 0.540 1.00 42.41 C ATOM 595 C GLN A 36 -9.291 0.370 0.433 1.00 63.12 C ATOM 596 O GLN A 36 -8.335 0.155 1.190 1.00 14.53 O ATOM 597 CB GLN A 36 -10.321 -1.993 0.232 1.00 4.21 C ATOM 598 CG GLN A 36 -11.562 -2.882 0.533 1.00 63.31 C ATOM 599 CD GLN A 36 -11.548 -4.256 -0.133 1.00 61.41 C ATOM 600 OE1 GLN A 36 -11.037 -4.329 -1.348 1.00 4.11 O flip ATOM 601 NE2 GLN A 36 -12.048 -5.240 0.415 1.00 51.32 N flip ATOM 0 H GLN A 36 -11.621 -0.442 -1.261 1.00 65.41 H new ATOM 0 HA GLN A 36 -10.850 -0.410 1.586 1.00 42.41 H new ATOM 0 HB2 GLN A 36 -10.049 -2.102 -0.818 1.00 4.21 H new ATOM 0 HB3 GLN A 36 -9.475 -2.349 0.820 1.00 4.21 H new ATOM 0 HG2 GLN A 36 -11.639 -3.018 1.612 1.00 63.31 H new ATOM 0 HG3 GLN A 36 -12.458 -2.349 0.214 1.00 63.31 H new ATOM 0 HE21 GLN A 36 -12.436 -5.158 1.355 1.00 51.32 H new ATOM 0 HE22 GLN A 36 -12.073 -6.136 -0.071 1.00 51.32 H new ATOM 610 N GLU A 37 -9.282 1.300 -0.553 1.00 71.42 N ATOM 611 CA GLU A 37 -8.266 2.381 -0.676 1.00 2.12 C ATOM 612 C GLU A 37 -7.981 3.036 0.686 1.00 13.23 C ATOM 613 O GLU A 37 -6.855 2.983 1.189 1.00 21.22 O ATOM 614 CB GLU A 37 -8.786 3.475 -1.655 1.00 35.11 C ATOM 615 CG GLU A 37 -7.846 4.696 -1.857 1.00 12.15 C ATOM 616 CD GLU A 37 -8.603 6.024 -1.988 1.00 43.40 C ATOM 617 OE1 GLU A 37 -8.668 6.786 -0.992 1.00 74.11 O ATOM 618 OE2 GLU A 37 -9.178 6.286 -3.060 1.00 55.54 O ATOM 0 H GLU A 37 -9.984 1.323 -1.292 1.00 71.42 H new ATOM 0 HA GLU A 37 -7.345 1.935 -1.052 1.00 2.12 H new ATOM 0 HB2 GLU A 37 -8.966 3.013 -2.626 1.00 35.11 H new ATOM 0 HB3 GLU A 37 -9.748 3.836 -1.291 1.00 35.11 H new ATOM 0 HG2 GLU A 37 -7.157 4.759 -1.015 1.00 12.15 H new ATOM 0 HG3 GLU A 37 -7.243 4.539 -2.751 1.00 12.15 H new ATOM 625 N VAL A 38 -9.055 3.586 1.293 1.00 52.25 N ATOM 626 CA VAL A 38 -8.995 4.299 2.581 1.00 73.33 C ATOM 627 C VAL A 38 -8.425 3.403 3.708 1.00 43.03 C ATOM 628 O VAL A 38 -7.656 3.877 4.543 1.00 63.42 O ATOM 629 CB VAL A 38 -10.413 4.878 2.972 1.00 65.53 C ATOM 630 CG1 VAL A 38 -11.489 3.774 3.051 1.00 41.25 C ATOM 631 CG2 VAL A 38 -10.362 5.702 4.286 1.00 64.24 C ATOM 0 H VAL A 38 -9.994 3.546 0.897 1.00 52.25 H new ATOM 0 HA VAL A 38 -8.309 5.137 2.459 1.00 73.33 H new ATOM 0 HB VAL A 38 -10.700 5.557 2.169 1.00 65.53 H new ATOM 0 HG11 VAL A 38 -12.447 4.218 3.323 1.00 41.25 H new ATOM 0 HG12 VAL A 38 -11.578 3.283 2.082 1.00 41.25 H new ATOM 0 HG13 VAL A 38 -11.203 3.040 3.804 1.00 41.25 H new ATOM 0 HG21 VAL A 38 -11.358 6.081 4.517 1.00 64.24 H new ATOM 0 HG22 VAL A 38 -10.018 5.066 5.101 1.00 64.24 H new ATOM 0 HG23 VAL A 38 -9.675 6.539 4.164 1.00 64.24 H new ATOM 641 N SER A 39 -8.763 2.099 3.669 1.00 31.10 N ATOM 642 CA SER A 39 -8.301 1.115 4.667 1.00 13.20 C ATOM 643 C SER A 39 -6.775 0.869 4.552 1.00 12.03 C ATOM 644 O SER A 39 -6.067 0.814 5.564 1.00 43.34 O ATOM 645 CB SER A 39 -9.088 -0.204 4.486 1.00 34.01 C ATOM 646 OG SER A 39 -10.493 0.020 4.574 1.00 34.25 O ATOM 0 H SER A 39 -9.362 1.699 2.947 1.00 31.10 H new ATOM 0 HA SER A 39 -8.488 1.512 5.665 1.00 13.20 H new ATOM 0 HB2 SER A 39 -8.847 -0.645 3.519 1.00 34.01 H new ATOM 0 HB3 SER A 39 -8.783 -0.921 5.248 1.00 34.01 H new ATOM 0 HG SER A 39 -10.968 -0.829 4.455 1.00 34.25 H new ATOM 652 N TYR A 40 -6.289 0.752 3.304 1.00 25.51 N ATOM 653 CA TYR A 40 -4.866 0.496 3.003 1.00 61.43 C ATOM 654 C TYR A 40 -3.995 1.704 3.380 1.00 12.53 C ATOM 655 O TYR A 40 -2.963 1.549 4.035 1.00 41.45 O ATOM 656 CB TYR A 40 -4.704 0.151 1.502 1.00 62.51 C ATOM 657 CG TYR A 40 -3.273 -0.225 1.055 1.00 23.51 C ATOM 658 CD1 TYR A 40 -2.622 0.480 0.042 1.00 61.24 C ATOM 659 CD2 TYR A 40 -2.590 -1.301 1.626 1.00 63.33 C ATOM 660 CE1 TYR A 40 -1.360 0.127 -0.387 1.00 51.22 C ATOM 661 CE2 TYR A 40 -1.319 -1.649 1.201 1.00 43.14 C ATOM 662 CZ TYR A 40 -0.710 -0.934 0.195 1.00 1.34 C ATOM 663 OH TYR A 40 0.552 -1.290 -0.245 1.00 44.45 O ATOM 0 H TYR A 40 -6.873 0.832 2.471 1.00 25.51 H new ATOM 0 HA TYR A 40 -4.530 -0.351 3.601 1.00 61.43 H new ATOM 0 HB2 TYR A 40 -5.370 -0.679 1.264 1.00 62.51 H new ATOM 0 HB3 TYR A 40 -5.037 1.006 0.913 1.00 62.51 H new ATOM 0 HD1 TYR A 40 -3.118 1.322 -0.417 1.00 61.24 H new ATOM 0 HD2 TYR A 40 -3.061 -1.872 2.413 1.00 63.33 H new ATOM 0 HE1 TYR A 40 -0.883 0.684 -1.180 1.00 51.22 H new ATOM 0 HE2 TYR A 40 -0.806 -2.481 1.659 1.00 43.14 H new ATOM 0 HH TYR A 40 1.013 -1.794 0.458 1.00 44.45 H new ATOM 673 N LEU A 41 -4.445 2.907 2.979 1.00 53.12 N ATOM 674 CA LEU A 41 -3.722 4.171 3.231 1.00 60.13 C ATOM 675 C LEU A 41 -3.741 4.525 4.740 1.00 70.23 C ATOM 676 O LEU A 41 -2.805 5.156 5.255 1.00 33.25 O ATOM 677 CB LEU A 41 -4.331 5.317 2.370 1.00 44.33 C ATOM 678 CG LEU A 41 -4.402 5.060 0.820 1.00 44.44 C ATOM 679 CD1 LEU A 41 -4.984 6.285 0.069 1.00 53.44 C ATOM 680 CD2 LEU A 41 -3.027 4.636 0.240 1.00 3.14 C ATOM 0 H LEU A 41 -5.320 3.032 2.471 1.00 53.12 H new ATOM 0 HA LEU A 41 -2.680 4.044 2.939 1.00 60.13 H new ATOM 0 HB2 LEU A 41 -5.340 5.517 2.730 1.00 44.33 H new ATOM 0 HB3 LEU A 41 -3.747 6.221 2.541 1.00 44.33 H new ATOM 0 HG LEU A 41 -5.085 4.225 0.664 1.00 44.44 H new ATOM 0 HD11 LEU A 41 -5.019 6.074 -1.000 1.00 53.44 H new ATOM 0 HD12 LEU A 41 -5.991 6.489 0.432 1.00 53.44 H new ATOM 0 HD13 LEU A 41 -4.351 7.155 0.246 1.00 53.44 H new ATOM 0 HD21 LEU A 41 -3.121 4.468 -0.833 1.00 3.14 H new ATOM 0 HD22 LEU A 41 -2.297 5.424 0.422 1.00 3.14 H new ATOM 0 HD23 LEU A 41 -2.696 3.717 0.723 1.00 3.14 H new ATOM 692 N GLN A 42 -4.817 4.090 5.434 1.00 23.22 N ATOM 693 CA GLN A 42 -4.947 4.206 6.904 1.00 21.44 C ATOM 694 C GLN A 42 -3.926 3.297 7.619 1.00 5.00 C ATOM 695 O GLN A 42 -3.261 3.723 8.562 1.00 51.23 O ATOM 696 CB GLN A 42 -6.386 3.824 7.337 1.00 63.01 C ATOM 697 CG GLN A 42 -6.664 3.900 8.854 1.00 11.53 C ATOM 698 CD GLN A 42 -8.075 3.450 9.260 1.00 63.00 C ATOM 699 OE1 GLN A 42 -8.265 2.906 10.349 1.00 72.34 O ATOM 700 NE2 GLN A 42 -9.079 3.700 8.417 1.00 30.34 N ATOM 0 H GLN A 42 -5.621 3.648 4.989 1.00 23.22 H new ATOM 0 HA GLN A 42 -4.745 5.239 7.187 1.00 21.44 H new ATOM 0 HB2 GLN A 42 -7.088 4.480 6.823 1.00 63.01 H new ATOM 0 HB3 GLN A 42 -6.592 2.809 6.998 1.00 63.01 H new ATOM 0 HG2 GLN A 42 -5.934 3.283 9.377 1.00 11.53 H new ATOM 0 HG3 GLN A 42 -6.512 4.926 9.189 1.00 11.53 H new ATOM 0 HE21 GLN A 42 -8.893 4.152 7.522 1.00 30.34 H new ATOM 0 HE22 GLN A 42 -10.033 3.439 8.668 1.00 30.34 H new ATOM 709 N SER A 43 -3.824 2.035 7.144 1.00 10.24 N ATOM 710 CA SER A 43 -2.890 1.027 7.696 1.00 30.41 C ATOM 711 C SER A 43 -1.419 1.472 7.523 1.00 34.12 C ATOM 712 O SER A 43 -0.594 1.325 8.437 1.00 2.03 O ATOM 713 CB SER A 43 -3.143 -0.332 7.011 1.00 74.02 C ATOM 714 OG SER A 43 -4.460 -0.797 7.267 1.00 5.12 O ATOM 0 H SER A 43 -4.386 1.687 6.368 1.00 10.24 H new ATOM 0 HA SER A 43 -3.070 0.926 8.766 1.00 30.41 H new ATOM 0 HB2 SER A 43 -2.991 -0.235 5.936 1.00 74.02 H new ATOM 0 HB3 SER A 43 -2.420 -1.064 7.370 1.00 74.02 H new ATOM 0 HG SER A 43 -5.096 -0.304 6.707 1.00 5.12 H new ATOM 720 N ILE A 44 -1.134 2.027 6.334 1.00 51.21 N ATOM 721 CA ILE A 44 0.154 2.648 5.980 1.00 63.41 C ATOM 722 C ILE A 44 0.503 3.789 6.964 1.00 52.14 C ATOM 723 O ILE A 44 1.600 3.810 7.562 1.00 62.31 O ATOM 724 CB ILE A 44 0.071 3.175 4.482 1.00 33.32 C ATOM 725 CG1 ILE A 44 0.245 1.983 3.477 1.00 61.51 C ATOM 726 CG2 ILE A 44 1.055 4.333 4.187 1.00 22.51 C ATOM 727 CD1 ILE A 44 0.090 2.343 2.008 1.00 3.40 C ATOM 0 H ILE A 44 -1.811 2.057 5.571 1.00 51.21 H new ATOM 0 HA ILE A 44 0.953 1.910 6.055 1.00 63.41 H new ATOM 0 HB ILE A 44 -0.922 3.602 4.344 1.00 33.32 H new ATOM 0 HG12 ILE A 44 1.233 1.546 3.625 1.00 61.51 H new ATOM 0 HG13 ILE A 44 -0.485 1.212 3.724 1.00 61.51 H new ATOM 0 HG21 ILE A 44 0.948 4.646 3.148 1.00 22.51 H new ATOM 0 HG22 ILE A 44 0.834 5.174 4.844 1.00 22.51 H new ATOM 0 HG23 ILE A 44 2.077 3.995 4.360 1.00 22.51 H new ATOM 0 HD11 ILE A 44 0.229 1.450 1.398 1.00 3.40 H new ATOM 0 HD12 ILE A 44 -0.907 2.749 1.836 1.00 3.40 H new ATOM 0 HD13 ILE A 44 0.837 3.088 1.735 1.00 3.40 H new ATOM 739 N GLU A 45 -0.466 4.704 7.138 1.00 2.10 N ATOM 740 CA GLU A 45 -0.334 5.874 8.014 1.00 72.41 C ATOM 741 C GLU A 45 0.009 5.450 9.456 1.00 45.05 C ATOM 742 O GLU A 45 1.034 5.858 10.009 1.00 41.31 O ATOM 743 CB GLU A 45 -1.658 6.679 7.987 1.00 30.21 C ATOM 744 CG GLU A 45 -1.654 7.972 8.817 1.00 52.22 C ATOM 745 CD GLU A 45 -3.045 8.609 8.913 1.00 64.03 C ATOM 746 OE1 GLU A 45 -3.443 9.343 7.985 1.00 14.33 O ATOM 747 OE2 GLU A 45 -3.755 8.365 9.915 1.00 24.25 O ATOM 0 H GLU A 45 -1.370 4.649 6.669 1.00 2.10 H new ATOM 0 HA GLU A 45 0.482 6.499 7.651 1.00 72.41 H new ATOM 0 HB2 GLU A 45 -1.890 6.931 6.952 1.00 30.21 H new ATOM 0 HB3 GLU A 45 -2.462 6.037 8.347 1.00 30.21 H new ATOM 0 HG2 GLU A 45 -1.287 7.755 9.820 1.00 52.22 H new ATOM 0 HG3 GLU A 45 -0.961 8.685 8.371 1.00 52.22 H new ATOM 754 N THR A 46 -0.828 4.568 10.021 1.00 74.11 N ATOM 755 CA THR A 46 -0.725 4.170 11.429 1.00 44.24 C ATOM 756 C THR A 46 0.573 3.359 11.697 1.00 52.11 C ATOM 757 O THR A 46 1.214 3.561 12.734 1.00 40.33 O ATOM 758 CB THR A 46 -2.012 3.400 11.909 1.00 4.44 C ATOM 759 OG1 THR A 46 -2.017 3.275 13.341 1.00 70.44 O ATOM 760 CG2 THR A 46 -2.150 2.003 11.282 1.00 31.51 C ATOM 0 H THR A 46 -1.590 4.114 9.517 1.00 74.11 H new ATOM 0 HA THR A 46 -0.661 5.081 12.024 1.00 44.24 H new ATOM 0 HB THR A 46 -2.862 3.995 11.576 1.00 4.44 H new ATOM 0 HG1 THR A 46 -2.823 2.796 13.625 1.00 70.44 H new ATOM 0 HG21 THR A 46 -3.057 1.525 11.654 1.00 31.51 H new ATOM 0 HG22 THR A 46 -2.207 2.095 10.197 1.00 31.51 H new ATOM 0 HG23 THR A 46 -1.285 1.397 11.550 1.00 31.51 H new ATOM 768 N VAL A 47 0.999 2.489 10.741 1.00 2.11 N ATOM 769 CA VAL A 47 2.226 1.672 10.921 1.00 45.34 C ATOM 770 C VAL A 47 3.484 2.561 10.874 1.00 51.35 C ATOM 771 O VAL A 47 4.448 2.318 11.603 1.00 61.45 O ATOM 772 CB VAL A 47 2.369 0.496 9.870 1.00 2.15 C ATOM 773 CG1 VAL A 47 2.834 0.991 8.479 1.00 54.41 C ATOM 774 CG2 VAL A 47 3.310 -0.611 10.399 1.00 60.10 C ATOM 0 H VAL A 47 0.519 2.338 9.854 1.00 2.11 H new ATOM 0 HA VAL A 47 2.129 1.209 11.903 1.00 45.34 H new ATOM 0 HB VAL A 47 1.372 0.074 9.740 1.00 2.15 H new ATOM 0 HG11 VAL A 47 2.915 0.143 7.799 1.00 54.41 H new ATOM 0 HG12 VAL A 47 2.109 1.704 8.085 1.00 54.41 H new ATOM 0 HG13 VAL A 47 3.806 1.476 8.571 1.00 54.41 H new ATOM 0 HG21 VAL A 47 3.390 -1.406 9.657 1.00 60.10 H new ATOM 0 HG22 VAL A 47 4.298 -0.190 10.587 1.00 60.10 H new ATOM 0 HG23 VAL A 47 2.907 -1.019 11.326 1.00 60.10 H new ATOM 784 N MET A 48 3.453 3.601 10.009 1.00 12.40 N ATOM 785 CA MET A 48 4.584 4.527 9.847 1.00 21.33 C ATOM 786 C MET A 48 4.694 5.464 11.066 1.00 32.41 C ATOM 787 O MET A 48 5.796 5.879 11.443 1.00 62.02 O ATOM 788 CB MET A 48 4.438 5.313 8.520 1.00 42.21 C ATOM 789 CG MET A 48 5.653 6.165 8.136 1.00 1.42 C ATOM 790 SD MET A 48 5.555 6.767 6.436 1.00 63.14 S ATOM 791 CE MET A 48 5.578 5.225 5.502 1.00 73.44 C ATOM 0 H MET A 48 2.653 3.815 9.414 1.00 12.40 H new ATOM 0 HA MET A 48 5.512 3.958 9.795 1.00 21.33 H new ATOM 0 HB2 MET A 48 4.241 4.605 7.715 1.00 42.21 H new ATOM 0 HB3 MET A 48 3.566 5.963 8.594 1.00 42.21 H new ATOM 0 HG2 MET A 48 5.729 7.013 8.816 1.00 1.42 H new ATOM 0 HG3 MET A 48 6.561 5.575 8.259 1.00 1.42 H new ATOM 0 HE1 MET A 48 5.773 5.439 4.451 1.00 73.44 H new ATOM 0 HE2 MET A 48 6.362 4.575 5.892 1.00 73.44 H new ATOM 0 HE3 MET A 48 4.613 4.727 5.598 1.00 73.44 H new ATOM 801 N GLU A 49 3.534 5.772 11.681 1.00 71.11 N ATOM 802 CA GLU A 49 3.464 6.539 12.939 1.00 53.43 C ATOM 803 C GLU A 49 4.050 5.713 14.112 1.00 22.11 C ATOM 804 O GLU A 49 4.733 6.255 14.995 1.00 32.23 O ATOM 805 CB GLU A 49 1.987 6.913 13.238 1.00 64.33 C ATOM 806 CG GLU A 49 1.785 7.805 14.480 1.00 22.52 C ATOM 807 CD GLU A 49 0.307 7.998 14.850 1.00 11.32 C ATOM 808 OE1 GLU A 49 -0.151 7.404 15.850 1.00 43.34 O ATOM 809 OE2 GLU A 49 -0.407 8.724 14.131 1.00 2.13 O ATOM 0 H GLU A 49 2.621 5.496 11.319 1.00 71.11 H new ATOM 0 HA GLU A 49 4.053 7.450 12.831 1.00 53.43 H new ATOM 0 HB2 GLU A 49 1.573 7.425 12.369 1.00 64.33 H new ATOM 0 HB3 GLU A 49 1.414 5.995 13.370 1.00 64.33 H new ATOM 0 HG2 GLU A 49 2.310 7.363 15.327 1.00 22.52 H new ATOM 0 HG3 GLU A 49 2.238 8.780 14.297 1.00 22.52 H new ATOM 923 N THR A 57 15.084 -6.201 17.185 1.00 33.24 N ATOM 924 CA THR A 57 15.721 -7.533 17.135 1.00 52.41 C ATOM 925 C THR A 57 15.490 -8.221 15.775 1.00 40.44 C ATOM 926 O THR A 57 14.598 -7.824 15.013 1.00 44.31 O ATOM 927 CB THR A 57 15.196 -8.444 18.296 1.00 14.51 C ATOM 928 OG1 THR A 57 15.977 -9.645 18.386 1.00 33.32 O ATOM 929 CG2 THR A 57 13.717 -8.827 18.132 1.00 14.33 C ATOM 0 HA THR A 57 16.794 -7.385 17.260 1.00 52.41 H new ATOM 0 HB THR A 57 15.293 -7.857 19.210 1.00 14.51 H new ATOM 0 HG1 THR A 57 15.637 -10.202 19.117 1.00 33.32 H new ATOM 0 HG21 THR A 57 13.410 -9.458 18.966 1.00 14.33 H new ATOM 0 HG22 THR A 57 13.107 -7.924 18.117 1.00 14.33 H new ATOM 0 HG23 THR A 57 13.584 -9.371 17.197 1.00 14.33 H new ATOM 937 N ARG A 58 16.293 -9.276 15.518 1.00 35.22 N ATOM 938 CA ARG A 58 16.297 -10.042 14.254 1.00 51.44 C ATOM 939 C ARG A 58 14.911 -10.630 13.937 1.00 11.15 C ATOM 940 O ARG A 58 14.477 -10.556 12.791 1.00 24.00 O ATOM 941 CB ARG A 58 17.400 -11.154 14.325 1.00 2.10 C ATOM 942 CG ARG A 58 17.362 -12.276 13.247 1.00 72.35 C ATOM 943 CD ARG A 58 17.314 -11.771 11.792 1.00 31.25 C ATOM 944 NE ARG A 58 18.444 -10.905 11.425 1.00 41.15 N ATOM 945 CZ ARG A 58 18.451 -10.051 10.384 1.00 70.54 C ATOM 946 NH1 ARG A 58 17.387 -9.929 9.590 1.00 41.04 N ATOM 947 NH2 ARG A 58 19.537 -9.336 10.129 1.00 62.24 N ATOM 0 H ARG A 58 16.969 -9.625 16.197 1.00 35.22 H new ATOM 0 HA ARG A 58 16.533 -9.365 13.433 1.00 51.44 H new ATOM 0 HB2 ARG A 58 18.373 -10.666 14.268 1.00 2.10 H new ATOM 0 HB3 ARG A 58 17.337 -11.627 15.305 1.00 2.10 H new ATOM 0 HG2 ARG A 58 18.242 -12.908 13.369 1.00 72.35 H new ATOM 0 HG3 ARG A 58 16.490 -12.905 13.428 1.00 72.35 H new ATOM 0 HD2 ARG A 58 17.293 -12.629 11.120 1.00 31.25 H new ATOM 0 HD3 ARG A 58 16.384 -11.223 11.638 1.00 31.25 H new ATOM 0 HE ARG A 58 19.284 -10.955 12.001 1.00 41.15 H new ATOM 0 HH11 ARG A 58 16.552 -10.487 9.767 1.00 41.04 H new ATOM 0 HH12 ARG A 58 17.408 -9.278 8.805 1.00 41.04 H new ATOM 0 HH21 ARG A 58 20.363 -9.434 10.720 1.00 62.24 H new ATOM 0 HH22 ARG A 58 19.548 -8.688 9.342 1.00 62.24 H new ATOM 961 N SER A 59 14.229 -11.184 14.957 1.00 32.04 N ATOM 962 CA SER A 59 12.907 -11.821 14.785 1.00 5.30 C ATOM 963 C SER A 59 11.897 -10.849 14.128 1.00 15.22 C ATOM 964 O SER A 59 11.377 -11.110 13.022 1.00 21.23 O ATOM 965 CB SER A 59 12.370 -12.300 16.151 1.00 22.21 C ATOM 966 OG SER A 59 13.330 -13.091 16.825 1.00 74.05 O ATOM 0 H SER A 59 14.574 -11.204 15.917 1.00 32.04 H new ATOM 0 HA SER A 59 13.028 -12.679 14.124 1.00 5.30 H new ATOM 0 HB2 SER A 59 12.108 -11.438 16.765 1.00 22.21 H new ATOM 0 HB3 SER A 59 11.457 -12.877 16.005 1.00 22.21 H new ATOM 0 HG SER A 59 12.967 -13.381 17.688 1.00 74.05 H new ATOM 972 N ILE A 60 11.696 -9.695 14.801 1.00 73.45 N ATOM 973 CA ILE A 60 10.738 -8.665 14.370 1.00 74.23 C ATOM 974 C ILE A 60 11.157 -8.108 13.002 1.00 62.23 C ATOM 975 O ILE A 60 10.354 -8.077 12.078 1.00 2.14 O ATOM 976 CB ILE A 60 10.639 -7.475 15.397 1.00 71.10 C ATOM 977 CG1 ILE A 60 10.358 -7.987 16.840 1.00 25.33 C ATOM 978 CG2 ILE A 60 9.553 -6.450 14.958 1.00 50.13 C ATOM 979 CD1 ILE A 60 10.443 -6.901 17.902 1.00 13.41 C ATOM 0 H ILE A 60 12.195 -9.456 15.658 1.00 73.45 H new ATOM 0 HA ILE A 60 9.759 -9.140 14.309 1.00 74.23 H new ATOM 0 HB ILE A 60 11.605 -6.970 15.405 1.00 71.10 H new ATOM 0 HG12 ILE A 60 9.365 -8.435 16.870 1.00 25.33 H new ATOM 0 HG13 ILE A 60 11.071 -8.775 17.081 1.00 25.33 H new ATOM 0 HG21 ILE A 60 9.504 -5.638 15.684 1.00 50.13 H new ATOM 0 HG22 ILE A 60 9.809 -6.046 13.978 1.00 50.13 H new ATOM 0 HG23 ILE A 60 8.584 -6.947 14.904 1.00 50.13 H new ATOM 0 HD11 ILE A 60 10.236 -7.333 18.881 1.00 13.41 H new ATOM 0 HD12 ILE A 60 11.443 -6.468 17.901 1.00 13.41 H new ATOM 0 HD13 ILE A 60 9.711 -6.123 17.686 1.00 13.41 H new ATOM 991 N GLN A 61 12.450 -7.720 12.903 1.00 11.31 N ATOM 992 CA GLN A 61 13.044 -7.106 11.693 1.00 25.23 C ATOM 993 C GLN A 61 12.772 -7.978 10.456 1.00 1.31 C ATOM 994 O GLN A 61 12.312 -7.478 9.437 1.00 42.05 O ATOM 995 CB GLN A 61 14.583 -6.911 11.896 1.00 13.13 C ATOM 996 CG GLN A 61 15.297 -5.956 10.895 1.00 12.00 C ATOM 997 CD GLN A 61 15.505 -6.489 9.461 1.00 54.23 C ATOM 998 OE1 GLN A 61 15.677 -7.689 9.236 1.00 34.23 O ATOM 999 NE2 GLN A 61 15.480 -5.594 8.481 1.00 34.11 N ATOM 0 H GLN A 61 13.116 -7.826 13.668 1.00 11.31 H new ATOM 0 HA GLN A 61 12.583 -6.132 11.531 1.00 25.23 H new ATOM 0 HB2 GLN A 61 14.750 -6.535 12.905 1.00 13.13 H new ATOM 0 HB3 GLN A 61 15.062 -7.888 11.837 1.00 13.13 H new ATOM 0 HG2 GLN A 61 14.721 -5.032 10.835 1.00 12.00 H new ATOM 0 HG3 GLN A 61 16.272 -5.697 11.307 1.00 12.00 H new ATOM 0 HE21 GLN A 61 15.336 -4.607 8.695 1.00 34.11 H new ATOM 0 HE22 GLN A 61 15.605 -5.893 7.514 1.00 34.11 H new ATOM 1008 N ASP A 62 13.030 -9.288 10.606 1.00 64.12 N ATOM 1009 CA ASP A 62 12.943 -10.278 9.519 1.00 52.55 C ATOM 1010 C ASP A 62 11.489 -10.510 9.075 1.00 10.03 C ATOM 1011 O ASP A 62 11.203 -10.506 7.872 1.00 52.42 O ATOM 1012 CB ASP A 62 13.592 -11.612 9.976 1.00 11.45 C ATOM 1013 CG ASP A 62 13.528 -12.719 8.913 1.00 34.13 C ATOM 1014 OD1 ASP A 62 12.624 -13.577 8.977 1.00 33.24 O ATOM 1015 OD2 ASP A 62 14.374 -12.724 7.996 1.00 14.43 O ATOM 0 H ASP A 62 13.309 -9.695 11.499 1.00 64.12 H new ATOM 0 HA ASP A 62 13.485 -9.887 8.658 1.00 52.55 H new ATOM 0 HB2 ASP A 62 14.634 -11.429 10.237 1.00 11.45 H new ATOM 0 HB3 ASP A 62 13.093 -11.959 10.881 1.00 11.45 H new ATOM 1020 N MET A 63 10.585 -10.719 10.053 1.00 51.00 N ATOM 1021 CA MET A 63 9.151 -10.977 9.770 1.00 3.31 C ATOM 1022 C MET A 63 8.504 -9.753 9.082 1.00 33.11 C ATOM 1023 O MET A 63 7.873 -9.867 8.003 1.00 54.42 O ATOM 1024 CB MET A 63 8.403 -11.371 11.078 1.00 74.21 C ATOM 1025 CG MET A 63 8.880 -12.700 11.691 1.00 62.14 C ATOM 1026 SD MET A 63 7.941 -13.195 13.159 1.00 13.10 S ATOM 1027 CE MET A 63 8.481 -12.006 14.396 1.00 14.44 C ATOM 0 H MET A 63 10.818 -10.715 11.046 1.00 51.00 H new ATOM 0 HA MET A 63 9.072 -11.817 9.080 1.00 3.31 H new ATOM 0 HB2 MET A 63 8.532 -10.576 11.813 1.00 74.21 H new ATOM 0 HB3 MET A 63 7.336 -11.441 10.868 1.00 74.21 H new ATOM 0 HG2 MET A 63 8.805 -13.486 10.939 1.00 62.14 H new ATOM 0 HG3 MET A 63 9.934 -12.612 11.956 1.00 62.14 H new ATOM 0 HE1 MET A 63 7.788 -12.016 15.237 1.00 14.44 H new ATOM 0 HE2 MET A 63 9.479 -12.272 14.745 1.00 14.44 H new ATOM 0 HE3 MET A 63 8.504 -11.009 13.957 1.00 14.44 H new ATOM 1037 N VAL A 64 8.742 -8.579 9.687 1.00 50.32 N ATOM 1038 CA VAL A 64 8.336 -7.275 9.145 1.00 54.13 C ATOM 1039 C VAL A 64 8.934 -7.049 7.745 1.00 5.34 C ATOM 1040 O VAL A 64 8.227 -6.605 6.848 1.00 24.15 O ATOM 1041 CB VAL A 64 8.761 -6.128 10.140 1.00 21.02 C ATOM 1042 CG1 VAL A 64 8.731 -4.728 9.493 1.00 21.42 C ATOM 1043 CG2 VAL A 64 7.879 -6.174 11.410 1.00 13.33 C ATOM 0 H VAL A 64 9.230 -8.509 10.580 1.00 50.32 H new ATOM 0 HA VAL A 64 7.251 -7.260 9.040 1.00 54.13 H new ATOM 0 HB VAL A 64 9.799 -6.310 10.417 1.00 21.02 H new ATOM 0 HG11 VAL A 64 9.033 -3.981 10.227 1.00 21.42 H new ATOM 0 HG12 VAL A 64 9.418 -4.703 8.647 1.00 21.42 H new ATOM 0 HG13 VAL A 64 7.721 -4.509 9.147 1.00 21.42 H new ATOM 0 HG21 VAL A 64 8.180 -5.378 12.091 1.00 13.33 H new ATOM 0 HG22 VAL A 64 6.834 -6.038 11.132 1.00 13.33 H new ATOM 0 HG23 VAL A 64 8.001 -7.139 11.903 1.00 13.33 H new ATOM 1053 N ALA A 65 10.216 -7.428 7.564 1.00 34.42 N ATOM 1054 CA ALA A 65 10.922 -7.282 6.273 1.00 51.13 C ATOM 1055 C ALA A 65 10.276 -8.155 5.189 1.00 14.21 C ATOM 1056 O ALA A 65 10.248 -7.771 4.020 1.00 50.11 O ATOM 1057 CB ALA A 65 12.405 -7.633 6.408 1.00 13.42 C ATOM 0 H ALA A 65 10.787 -7.841 8.301 1.00 34.42 H new ATOM 0 HA ALA A 65 10.839 -6.237 5.976 1.00 51.13 H new ATOM 0 HB1 ALA A 65 12.896 -7.516 5.442 1.00 13.42 H new ATOM 0 HB2 ALA A 65 12.871 -6.968 7.135 1.00 13.42 H new ATOM 0 HB3 ALA A 65 12.506 -8.665 6.743 1.00 13.42 H new ATOM 1063 N GLY A 66 9.758 -9.334 5.605 1.00 35.24 N ATOM 1064 CA GLY A 66 8.990 -10.210 4.711 1.00 20.35 C ATOM 1065 C GLY A 66 7.746 -9.503 4.202 1.00 62.11 C ATOM 1066 O GLY A 66 7.540 -9.370 2.989 1.00 72.23 O ATOM 0 H GLY A 66 9.862 -9.694 6.554 1.00 35.24 H new ATOM 0 HA2 GLY A 66 9.612 -10.513 3.869 1.00 20.35 H new ATOM 0 HA3 GLY A 66 8.706 -11.119 5.241 1.00 20.35 H new ATOM 1070 N TYR A 67 6.971 -8.961 5.158 1.00 41.13 N ATOM 1071 CA TYR A 67 5.752 -8.185 4.856 1.00 54.31 C ATOM 1072 C TYR A 67 6.053 -6.892 4.060 1.00 42.30 C ATOM 1073 O TYR A 67 5.211 -6.423 3.292 1.00 52.54 O ATOM 1074 CB TYR A 67 5.019 -7.819 6.152 1.00 1.14 C ATOM 1075 CG TYR A 67 4.573 -9.013 7.008 1.00 15.45 C ATOM 1076 CD1 TYR A 67 4.802 -9.038 8.387 1.00 74.14 C ATOM 1077 CD2 TYR A 67 3.906 -10.106 6.440 1.00 14.41 C ATOM 1078 CE1 TYR A 67 4.383 -10.099 9.164 1.00 41.35 C ATOM 1079 CE2 TYR A 67 3.490 -11.172 7.219 1.00 72.54 C ATOM 1080 CZ TYR A 67 3.730 -11.160 8.579 1.00 65.24 C ATOM 1081 OH TYR A 67 3.302 -12.215 9.362 1.00 13.23 O ATOM 0 H TYR A 67 7.169 -9.047 6.155 1.00 41.13 H new ATOM 0 HA TYR A 67 5.123 -8.822 4.234 1.00 54.31 H new ATOM 0 HB2 TYR A 67 5.671 -7.184 6.753 1.00 1.14 H new ATOM 0 HB3 TYR A 67 4.141 -7.225 5.899 1.00 1.14 H new ATOM 0 HD1 TYR A 67 5.317 -8.211 8.853 1.00 74.14 H new ATOM 0 HD2 TYR A 67 3.713 -10.117 5.377 1.00 14.41 H new ATOM 0 HE1 TYR A 67 4.567 -10.097 10.228 1.00 41.35 H new ATOM 0 HE2 TYR A 67 2.980 -12.009 6.765 1.00 72.54 H new ATOM 0 HH TYR A 67 2.858 -12.882 8.798 1.00 13.23 H new ATOM 1091 N ILE A 68 7.259 -6.333 4.275 1.00 15.22 N ATOM 1092 CA ILE A 68 7.755 -5.124 3.582 1.00 62.35 C ATOM 1093 C ILE A 68 7.985 -5.421 2.091 1.00 35.23 C ATOM 1094 O ILE A 68 7.582 -4.632 1.222 1.00 12.13 O ATOM 1095 CB ILE A 68 9.073 -4.572 4.280 1.00 60.01 C ATOM 1096 CG1 ILE A 68 8.702 -3.775 5.578 1.00 63.43 C ATOM 1097 CG2 ILE A 68 9.965 -3.729 3.329 1.00 60.33 C ATOM 1098 CD1 ILE A 68 9.880 -3.217 6.364 1.00 64.25 C ATOM 0 H ILE A 68 7.928 -6.713 4.945 1.00 15.22 H new ATOM 0 HA ILE A 68 6.998 -4.343 3.655 1.00 62.35 H new ATOM 0 HB ILE A 68 9.676 -5.437 4.555 1.00 60.01 H new ATOM 0 HG12 ILE A 68 8.048 -2.948 5.301 1.00 63.43 H new ATOM 0 HG13 ILE A 68 8.128 -4.430 6.234 1.00 63.43 H new ATOM 0 HG21 ILE A 68 10.847 -3.383 3.868 1.00 60.33 H new ATOM 0 HG22 ILE A 68 10.274 -4.342 2.482 1.00 60.33 H new ATOM 0 HG23 ILE A 68 9.401 -2.869 2.968 1.00 60.33 H new ATOM 0 HD11 ILE A 68 9.513 -2.685 7.241 1.00 64.25 H new ATOM 0 HD12 ILE A 68 10.527 -4.035 6.681 1.00 64.25 H new ATOM 0 HD13 ILE A 68 10.446 -2.531 5.734 1.00 64.25 H new ATOM 1110 N LYS A 69 8.607 -6.581 1.802 1.00 75.45 N ATOM 1111 CA LYS A 69 8.842 -7.017 0.416 1.00 72.13 C ATOM 1112 C LYS A 69 7.499 -7.297 -0.284 1.00 10.22 C ATOM 1113 O LYS A 69 7.310 -6.919 -1.438 1.00 4.20 O ATOM 1114 CB LYS A 69 9.757 -8.272 0.360 1.00 13.05 C ATOM 1115 CG LYS A 69 11.152 -8.089 1.002 1.00 31.35 C ATOM 1116 CD LYS A 69 12.017 -6.983 0.360 1.00 25.44 C ATOM 1117 CE LYS A 69 12.409 -7.281 -1.098 1.00 31.21 C ATOM 1118 NZ LYS A 69 13.247 -6.186 -1.677 1.00 41.52 N ATOM 0 H LYS A 69 8.954 -7.229 2.509 1.00 75.45 H new ATOM 0 HA LYS A 69 9.357 -6.212 -0.108 1.00 72.13 H new ATOM 0 HB2 LYS A 69 9.249 -9.097 0.859 1.00 13.05 H new ATOM 0 HB3 LYS A 69 9.888 -8.562 -0.682 1.00 13.05 H new ATOM 0 HG2 LYS A 69 11.023 -7.862 2.060 1.00 31.35 H new ATOM 0 HG3 LYS A 69 11.692 -9.034 0.942 1.00 31.35 H new ATOM 0 HD2 LYS A 69 11.472 -6.040 0.396 1.00 25.44 H new ATOM 0 HD3 LYS A 69 12.923 -6.851 0.952 1.00 25.44 H new ATOM 0 HE2 LYS A 69 12.957 -8.222 -1.143 1.00 31.21 H new ATOM 0 HE3 LYS A 69 11.509 -7.408 -1.699 1.00 31.21 H new ATOM 0 HZ1 LYS A 69 13.493 -6.420 -2.660 1.00 41.52 H new ATOM 0 HZ2 LYS A 69 12.714 -5.293 -1.656 1.00 41.52 H new ATOM 0 HZ3 LYS A 69 14.118 -6.082 -1.118 1.00 41.52 H new ATOM 1132 N GLN A 70 6.563 -7.932 0.457 1.00 61.14 N ATOM 1133 CA GLN A 70 5.207 -8.246 -0.051 1.00 2.12 C ATOM 1134 C GLN A 70 4.460 -6.953 -0.447 1.00 35.52 C ATOM 1135 O GLN A 70 4.053 -6.805 -1.605 1.00 12.41 O ATOM 1136 CB GLN A 70 4.392 -9.036 1.011 1.00 12.40 C ATOM 1137 CG GLN A 70 4.989 -10.408 1.389 1.00 33.42 C ATOM 1138 CD GLN A 70 4.285 -11.097 2.568 1.00 3.45 C ATOM 1139 OE1 GLN A 70 3.080 -10.965 2.767 1.00 64.35 O ATOM 1140 NE2 GLN A 70 5.047 -11.811 3.377 1.00 73.14 N ATOM 0 H GLN A 70 6.724 -8.239 1.416 1.00 61.14 H new ATOM 0 HA GLN A 70 5.314 -8.869 -0.939 1.00 2.12 H new ATOM 0 HB2 GLN A 70 4.311 -8.429 1.913 1.00 12.40 H new ATOM 0 HB3 GLN A 70 3.380 -9.186 0.635 1.00 12.40 H new ATOM 0 HG2 GLN A 70 4.943 -11.064 0.519 1.00 33.42 H new ATOM 0 HG3 GLN A 70 6.043 -10.278 1.635 1.00 33.42 H new ATOM 0 HE21 GLN A 70 6.045 -11.904 3.188 1.00 73.14 H new ATOM 0 HE22 GLN A 70 4.637 -12.269 4.191 1.00 73.14 H new ATOM 1149 N THR A 71 4.349 -5.996 0.505 1.00 55.52 N ATOM 1150 CA THR A 71 3.565 -4.765 0.294 1.00 45.31 C ATOM 1151 C THR A 71 4.180 -3.887 -0.813 1.00 34.23 C ATOM 1152 O THR A 71 3.448 -3.425 -1.677 1.00 42.42 O ATOM 1153 CB THR A 71 3.331 -3.927 1.608 1.00 71.30 C ATOM 1154 OG1 THR A 71 2.466 -2.806 1.336 1.00 44.33 O ATOM 1155 CG2 THR A 71 4.625 -3.394 2.245 1.00 34.35 C ATOM 0 H THR A 71 4.792 -6.056 1.422 1.00 55.52 H new ATOM 0 HA THR A 71 2.580 -5.101 -0.031 1.00 45.31 H new ATOM 0 HB THR A 71 2.876 -4.618 2.317 1.00 71.30 H new ATOM 0 HG1 THR A 71 2.959 -1.971 1.476 1.00 44.33 H new ATOM 0 HG21 THR A 71 4.382 -2.828 3.144 1.00 34.35 H new ATOM 0 HG22 THR A 71 5.273 -4.230 2.507 1.00 34.35 H new ATOM 0 HG23 THR A 71 5.139 -2.745 1.536 1.00 34.35 H new ATOM 1163 N LEU A 72 5.524 -3.712 -0.813 1.00 73.03 N ATOM 1164 CA LEU A 72 6.220 -2.887 -1.833 1.00 32.32 C ATOM 1165 C LEU A 72 6.173 -3.543 -3.233 1.00 24.42 C ATOM 1166 O LEU A 72 6.177 -2.834 -4.237 1.00 11.51 O ATOM 1167 CB LEU A 72 7.697 -2.605 -1.421 1.00 11.31 C ATOM 1168 CG LEU A 72 7.919 -1.610 -0.228 1.00 73.51 C ATOM 1169 CD1 LEU A 72 9.417 -1.529 0.158 1.00 63.13 C ATOM 1170 CD2 LEU A 72 7.357 -0.201 -0.552 1.00 15.42 C ATOM 0 H LEU A 72 6.147 -4.129 -0.121 1.00 73.03 H new ATOM 0 HA LEU A 72 5.687 -1.938 -1.888 1.00 32.32 H new ATOM 0 HB2 LEU A 72 8.165 -3.555 -1.163 1.00 11.31 H new ATOM 0 HB3 LEU A 72 8.224 -2.215 -2.292 1.00 11.31 H new ATOM 0 HG LEU A 72 7.368 -1.999 0.628 1.00 73.51 H new ATOM 0 HD11 LEU A 72 9.542 -0.833 0.987 1.00 63.13 H new ATOM 0 HD12 LEU A 72 9.770 -2.516 0.457 1.00 63.13 H new ATOM 0 HD13 LEU A 72 9.995 -1.181 -0.698 1.00 63.13 H new ATOM 0 HD21 LEU A 72 7.528 0.463 0.296 1.00 15.42 H new ATOM 0 HD22 LEU A 72 7.861 0.198 -1.432 1.00 15.42 H new ATOM 0 HD23 LEU A 72 6.287 -0.272 -0.747 1.00 15.42 H new ATOM 1182 N ASP A 73 6.137 -4.895 -3.286 1.00 45.11 N ATOM 1183 CA ASP A 73 6.064 -5.643 -4.567 1.00 71.23 C ATOM 1184 C ASP A 73 4.684 -5.471 -5.205 1.00 54.04 C ATOM 1185 O ASP A 73 4.558 -5.118 -6.387 1.00 24.43 O ATOM 1186 CB ASP A 73 6.331 -7.154 -4.355 1.00 24.34 C ATOM 1187 CG ASP A 73 6.430 -7.930 -5.680 1.00 22.41 C ATOM 1188 OD1 ASP A 73 7.549 -8.026 -6.234 1.00 11.24 O ATOM 1189 OD2 ASP A 73 5.401 -8.453 -6.174 1.00 53.43 O ATOM 0 H ASP A 73 6.157 -5.491 -2.459 1.00 45.11 H new ATOM 0 HA ASP A 73 6.833 -5.237 -5.225 1.00 71.23 H new ATOM 0 HB2 ASP A 73 7.257 -7.280 -3.794 1.00 24.34 H new ATOM 0 HB3 ASP A 73 5.531 -7.579 -3.749 1.00 24.34 H new ATOM 1194 N ASN A 74 3.652 -5.729 -4.385 1.00 10.42 N ATOM 1195 CA ASN A 74 2.252 -5.682 -4.817 1.00 4.45 C ATOM 1196 C ASN A 74 1.836 -4.245 -5.132 1.00 74.33 C ATOM 1197 O ASN A 74 1.034 -4.014 -6.034 1.00 32.02 O ATOM 1198 CB ASN A 74 1.318 -6.285 -3.742 1.00 51.40 C ATOM 1199 CG ASN A 74 1.666 -7.719 -3.315 1.00 11.35 C ATOM 1200 OD1 ASN A 74 1.381 -8.114 -2.183 1.00 14.41 O ATOM 1201 ND2 ASN A 74 2.279 -8.509 -4.194 1.00 62.35 N ATOM 0 H ASN A 74 3.769 -5.976 -3.402 1.00 10.42 H new ATOM 0 HA ASN A 74 2.161 -6.281 -5.723 1.00 4.45 H new ATOM 0 HB2 ASN A 74 1.340 -5.643 -2.861 1.00 51.40 H new ATOM 0 HB3 ASN A 74 0.296 -6.272 -4.121 1.00 51.40 H new ATOM 0 HD21 ASN A 74 2.524 -9.465 -3.937 1.00 62.35 H new ATOM 0 HD22 ASN A 74 2.504 -8.158 -5.125 1.00 62.35 H new ATOM 1208 N GLU A 75 2.402 -3.292 -4.370 1.00 12.42 N ATOM 1209 CA GLU A 75 2.183 -1.854 -4.570 1.00 53.23 C ATOM 1210 C GLU A 75 2.963 -1.345 -5.792 1.00 70.23 C ATOM 1211 O GLU A 75 2.527 -0.403 -6.429 1.00 51.34 O ATOM 1212 CB GLU A 75 2.587 -1.058 -3.309 1.00 74.34 C ATOM 1213 CG GLU A 75 2.409 0.462 -3.422 1.00 23.32 C ATOM 1214 CD GLU A 75 2.854 1.218 -2.176 1.00 33.44 C ATOM 1215 OE1 GLU A 75 2.006 1.453 -1.283 1.00 23.14 O ATOM 1216 OE2 GLU A 75 4.056 1.576 -2.092 1.00 24.13 O ATOM 0 H GLU A 75 3.028 -3.503 -3.593 1.00 12.42 H new ATOM 0 HA GLU A 75 1.119 -1.700 -4.752 1.00 53.23 H new ATOM 0 HB2 GLU A 75 1.997 -1.417 -2.466 1.00 74.34 H new ATOM 0 HB3 GLU A 75 3.631 -1.271 -3.081 1.00 74.34 H new ATOM 0 HG2 GLU A 75 2.976 0.824 -4.279 1.00 23.32 H new ATOM 0 HG3 GLU A 75 1.360 0.684 -3.617 1.00 23.32 H new ATOM 1223 N GLN A 76 4.125 -1.961 -6.099 1.00 2.53 N ATOM 1224 CA GLN A 76 4.900 -1.642 -7.325 1.00 3.20 C ATOM 1225 C GLN A 76 4.100 -2.057 -8.573 1.00 64.32 C ATOM 1226 O GLN A 76 4.063 -1.335 -9.581 1.00 74.35 O ATOM 1227 CB GLN A 76 6.272 -2.361 -7.325 1.00 52.54 C ATOM 1228 CG GLN A 76 7.185 -2.004 -8.517 1.00 74.52 C ATOM 1229 CD GLN A 76 8.473 -2.831 -8.580 1.00 32.54 C ATOM 1230 OE1 GLN A 76 8.495 -4.000 -8.193 1.00 73.22 O ATOM 1231 NE2 GLN A 76 9.557 -2.232 -9.051 1.00 22.54 N ATOM 0 H GLN A 76 4.550 -2.683 -5.517 1.00 2.53 H new ATOM 0 HA GLN A 76 5.077 -0.567 -7.342 1.00 3.20 H new ATOM 0 HB2 GLN A 76 6.794 -2.119 -6.399 1.00 52.54 H new ATOM 0 HB3 GLN A 76 6.103 -3.438 -7.324 1.00 52.54 H new ATOM 0 HG2 GLN A 76 6.628 -2.145 -9.444 1.00 74.52 H new ATOM 0 HG3 GLN A 76 7.446 -0.947 -8.459 1.00 74.52 H new ATOM 0 HE21 GLN A 76 9.509 -1.263 -9.364 1.00 22.54 H new ATOM 0 HE22 GLN A 76 10.440 -2.740 -9.100 1.00 22.54 H new ATOM 1240 N LEU A 77 3.465 -3.231 -8.479 1.00 0.22 N ATOM 1241 CA LEU A 77 2.570 -3.747 -9.523 1.00 54.41 C ATOM 1242 C LEU A 77 1.291 -2.879 -9.618 1.00 32.24 C ATOM 1243 O LEU A 77 0.837 -2.578 -10.720 1.00 73.22 O ATOM 1244 CB LEU A 77 2.257 -5.245 -9.257 1.00 74.31 C ATOM 1245 CG LEU A 77 3.409 -6.255 -9.576 1.00 3.20 C ATOM 1246 CD1 LEU A 77 3.085 -7.682 -9.068 1.00 45.53 C ATOM 1247 CD2 LEU A 77 3.710 -6.267 -11.092 1.00 1.52 C ATOM 0 H LEU A 77 3.557 -3.852 -7.675 1.00 0.22 H new ATOM 0 HA LEU A 77 3.064 -3.685 -10.493 1.00 54.41 H new ATOM 0 HB2 LEU A 77 1.983 -5.357 -8.208 1.00 74.31 H new ATOM 0 HB3 LEU A 77 1.383 -5.523 -9.847 1.00 74.31 H new ATOM 0 HG LEU A 77 4.299 -5.919 -9.044 1.00 3.20 H new ATOM 0 HD11 LEU A 77 3.911 -8.351 -9.310 1.00 45.53 H new ATOM 0 HD12 LEU A 77 2.941 -7.660 -7.988 1.00 45.53 H new ATOM 0 HD13 LEU A 77 2.175 -8.041 -9.548 1.00 45.53 H new ATOM 0 HD21 LEU A 77 4.513 -6.974 -11.298 1.00 1.52 H new ATOM 0 HD22 LEU A 77 2.815 -6.565 -11.638 1.00 1.52 H new ATOM 0 HD23 LEU A 77 4.014 -5.270 -11.410 1.00 1.52 H new ATOM 1259 N LEU A 78 0.749 -2.454 -8.455 1.00 32.51 N ATOM 1260 CA LEU A 78 -0.371 -1.474 -8.381 1.00 13.45 C ATOM 1261 C LEU A 78 0.042 -0.115 -8.989 1.00 74.45 C ATOM 1262 O LEU A 78 -0.732 0.512 -9.700 1.00 24.55 O ATOM 1263 CB LEU A 78 -0.842 -1.277 -6.900 1.00 75.45 C ATOM 1264 CG LEU A 78 -1.749 -2.404 -6.307 1.00 12.23 C ATOM 1265 CD1 LEU A 78 -1.969 -2.228 -4.788 1.00 33.00 C ATOM 1266 CD2 LEU A 78 -3.096 -2.449 -7.047 1.00 45.12 C ATOM 0 H LEU A 78 1.070 -2.776 -7.542 1.00 32.51 H new ATOM 0 HA LEU A 78 -1.201 -1.876 -8.962 1.00 13.45 H new ATOM 0 HB2 LEU A 78 0.042 -1.182 -6.269 1.00 75.45 H new ATOM 0 HB3 LEU A 78 -1.383 -0.333 -6.835 1.00 75.45 H new ATOM 0 HG LEU A 78 -1.233 -3.353 -6.452 1.00 12.23 H new ATOM 0 HD11 LEU A 78 -2.604 -3.032 -4.417 1.00 33.00 H new ATOM 0 HD12 LEU A 78 -1.008 -2.259 -4.275 1.00 33.00 H new ATOM 0 HD13 LEU A 78 -2.450 -1.268 -4.599 1.00 33.00 H new ATOM 0 HD21 LEU A 78 -3.717 -3.238 -6.624 1.00 45.12 H new ATOM 0 HD22 LEU A 78 -3.603 -1.490 -6.938 1.00 45.12 H new ATOM 0 HD23 LEU A 78 -2.924 -2.651 -8.104 1.00 45.12 H new ATOM 1278 N LYS A 79 1.286 0.289 -8.720 1.00 13.41 N ATOM 1279 CA LYS A 79 1.848 1.590 -9.131 1.00 41.42 C ATOM 1280 C LYS A 79 1.904 1.667 -10.664 1.00 74.44 C ATOM 1281 O LYS A 79 1.366 2.600 -11.270 1.00 15.34 O ATOM 1282 CB LYS A 79 3.274 1.744 -8.518 1.00 64.23 C ATOM 1283 CG LYS A 79 3.982 3.088 -8.777 1.00 4.24 C ATOM 1284 CD LYS A 79 5.452 3.082 -8.286 1.00 2.44 C ATOM 1285 CE LYS A 79 6.133 4.448 -8.448 1.00 32.13 C ATOM 1286 NZ LYS A 79 5.535 5.466 -7.550 1.00 22.41 N ATOM 0 H LYS A 79 1.949 -0.286 -8.200 1.00 13.41 H new ATOM 0 HA LYS A 79 1.217 2.402 -8.769 1.00 41.42 H new ATOM 0 HB2 LYS A 79 3.202 1.596 -7.440 1.00 64.23 H new ATOM 0 HB3 LYS A 79 3.903 0.944 -8.908 1.00 64.23 H new ATOM 0 HG2 LYS A 79 3.959 3.309 -9.844 1.00 4.24 H new ATOM 0 HG3 LYS A 79 3.436 3.886 -8.274 1.00 4.24 H new ATOM 0 HD2 LYS A 79 5.480 2.788 -7.237 1.00 2.44 H new ATOM 0 HD3 LYS A 79 6.014 2.332 -8.842 1.00 2.44 H new ATOM 0 HE2 LYS A 79 7.197 4.352 -8.233 1.00 32.13 H new ATOM 0 HE3 LYS A 79 6.045 4.778 -9.483 1.00 32.13 H new ATOM 0 HZ1 LYS A 79 6.233 6.213 -7.358 1.00 22.41 H new ATOM 0 HZ2 LYS A 79 4.699 5.883 -8.006 1.00 22.41 H new ATOM 0 HZ3 LYS A 79 5.253 5.017 -6.655 1.00 22.41 H new ATOM 1300 N GLY A 80 2.526 0.632 -11.264 1.00 53.22 N ATOM 1301 CA GLY A 80 2.694 0.540 -12.712 1.00 21.05 C ATOM 1302 C GLY A 80 1.377 0.370 -13.455 1.00 54.10 C ATOM 1303 O GLY A 80 1.079 1.136 -14.377 1.00 70.44 O ATOM 0 H GLY A 80 2.922 -0.157 -10.752 1.00 53.22 H new ATOM 0 HA2 GLY A 80 3.194 1.439 -13.072 1.00 21.05 H new ATOM 0 HA3 GLY A 80 3.346 -0.302 -12.944 1.00 21.05 H new ATOM 1307 N LEU A 81 0.575 -0.620 -13.006 1.00 14.12 N ATOM 1308 CA LEU A 81 -0.713 -0.977 -13.631 1.00 31.12 C ATOM 1309 C LEU A 81 -1.653 0.238 -13.648 1.00 62.41 C ATOM 1310 O LEU A 81 -2.177 0.607 -14.697 1.00 31.22 O ATOM 1311 CB LEU A 81 -1.332 -2.187 -12.858 1.00 22.13 C ATOM 1312 CG LEU A 81 -2.642 -2.865 -13.425 1.00 42.31 C ATOM 1313 CD1 LEU A 81 -2.776 -4.324 -12.917 1.00 74.30 C ATOM 1314 CD2 LEU A 81 -3.923 -2.070 -13.058 1.00 54.25 C ATOM 0 H LEU A 81 0.806 -1.195 -12.196 1.00 14.12 H new ATOM 0 HA LEU A 81 -0.559 -1.273 -14.669 1.00 31.12 H new ATOM 0 HB2 LEU A 81 -0.566 -2.959 -12.786 1.00 22.13 H new ATOM 0 HB3 LEU A 81 -1.546 -1.855 -11.842 1.00 22.13 H new ATOM 0 HG LEU A 81 -2.544 -2.866 -14.511 1.00 42.31 H new ATOM 0 HD11 LEU A 81 -3.686 -4.768 -13.322 1.00 74.30 H new ATOM 0 HD12 LEU A 81 -1.913 -4.904 -13.244 1.00 74.30 H new ATOM 0 HD13 LEU A 81 -2.824 -4.327 -11.828 1.00 74.30 H new ATOM 0 HD21 LEU A 81 -4.796 -2.576 -13.470 1.00 54.25 H new ATOM 0 HD22 LEU A 81 -4.016 -2.011 -11.974 1.00 54.25 H new ATOM 0 HD23 LEU A 81 -3.858 -1.064 -13.472 1.00 54.25 H new ATOM 1326 N LEU A 82 -1.820 0.867 -12.475 1.00 53.34 N ATOM 1327 CA LEU A 82 -2.783 1.962 -12.272 1.00 61.42 C ATOM 1328 C LEU A 82 -2.280 3.296 -12.839 1.00 54.45 C ATOM 1329 O LEU A 82 -3.095 4.171 -13.125 1.00 52.45 O ATOM 1330 CB LEU A 82 -3.133 2.072 -10.771 1.00 4.55 C ATOM 1331 CG LEU A 82 -4.024 0.919 -10.204 1.00 54.42 C ATOM 1332 CD1 LEU A 82 -3.892 0.788 -8.674 1.00 73.22 C ATOM 1333 CD2 LEU A 82 -5.489 1.144 -10.608 1.00 10.35 C ATOM 0 H LEU A 82 -1.289 0.630 -11.637 1.00 53.34 H new ATOM 0 HA LEU A 82 -3.690 1.726 -12.829 1.00 61.42 H new ATOM 0 HB2 LEU A 82 -2.205 2.105 -10.200 1.00 4.55 H new ATOM 0 HB3 LEU A 82 -3.645 3.020 -10.603 1.00 4.55 H new ATOM 0 HG LEU A 82 -3.674 -0.019 -10.635 1.00 54.42 H new ATOM 0 HD11 LEU A 82 -4.528 -0.025 -8.322 1.00 73.22 H new ATOM 0 HD12 LEU A 82 -2.855 0.575 -8.415 1.00 73.22 H new ATOM 0 HD13 LEU A 82 -4.200 1.720 -8.201 1.00 73.22 H new ATOM 0 HD21 LEU A 82 -6.104 0.337 -10.210 1.00 10.35 H new ATOM 0 HD22 LEU A 82 -5.835 2.096 -10.206 1.00 10.35 H new ATOM 0 HD23 LEU A 82 -5.569 1.158 -11.695 1.00 10.35 H new ATOM 1345 N GLN A 83 -0.948 3.471 -12.982 1.00 44.24 N ATOM 1346 CA GLN A 83 -0.393 4.640 -13.708 1.00 5.22 C ATOM 1347 C GLN A 83 -0.793 4.537 -15.185 1.00 15.04 C ATOM 1348 O GLN A 83 -1.411 5.462 -15.742 1.00 2.25 O ATOM 1349 CB GLN A 83 1.158 4.736 -13.533 1.00 25.32 C ATOM 1350 CG GLN A 83 1.832 5.980 -14.185 1.00 52.02 C ATOM 1351 CD GLN A 83 2.112 5.841 -15.695 1.00 63.40 C ATOM 1352 OE1 GLN A 83 2.436 4.758 -16.188 1.00 51.12 O ATOM 1353 NE2 GLN A 83 1.945 6.914 -16.445 1.00 11.44 N ATOM 0 H GLN A 83 -0.245 2.831 -12.612 1.00 44.24 H new ATOM 0 HA GLN A 83 -0.806 5.558 -13.289 1.00 5.22 H new ATOM 0 HB2 GLN A 83 1.386 4.738 -12.467 1.00 25.32 H new ATOM 0 HB3 GLN A 83 1.610 3.838 -13.954 1.00 25.32 H new ATOM 0 HG2 GLN A 83 1.193 6.848 -14.026 1.00 52.02 H new ATOM 0 HG3 GLN A 83 2.773 6.178 -13.671 1.00 52.02 H new ATOM 0 HE21 GLN A 83 1.677 7.800 -16.016 1.00 11.44 H new ATOM 0 HE22 GLN A 83 2.084 6.858 -17.454 1.00 11.44 H new ATOM 1362 N GLN A 84 -0.464 3.374 -15.783 1.00 1.35 N ATOM 1363 CA GLN A 84 -0.784 3.067 -17.188 1.00 51.12 C ATOM 1364 C GLN A 84 -2.303 3.127 -17.437 1.00 11.21 C ATOM 1365 O GLN A 84 -2.762 3.630 -18.473 1.00 45.31 O ATOM 1366 CB GLN A 84 -0.243 1.657 -17.554 1.00 1.35 C ATOM 1367 CG GLN A 84 1.297 1.503 -17.523 1.00 41.32 C ATOM 1368 CD GLN A 84 2.033 2.129 -18.719 1.00 64.30 C ATOM 1369 OE1 GLN A 84 1.572 3.091 -19.336 1.00 30.24 O ATOM 1370 NE2 GLN A 84 3.203 1.600 -19.051 1.00 73.04 N ATOM 0 H GLN A 84 0.031 2.622 -15.303 1.00 1.35 H new ATOM 0 HA GLN A 84 -0.306 3.816 -17.820 1.00 51.12 H new ATOM 0 HB2 GLN A 84 -0.677 0.931 -16.866 1.00 1.35 H new ATOM 0 HB3 GLN A 84 -0.596 1.400 -18.553 1.00 1.35 H new ATOM 0 HG2 GLN A 84 1.675 1.954 -16.606 1.00 41.32 H new ATOM 0 HG3 GLN A 84 1.541 0.442 -17.480 1.00 41.32 H new ATOM 0 HE21 GLN A 84 3.569 0.804 -18.529 1.00 73.04 H new ATOM 0 HE22 GLN A 84 3.737 1.989 -19.828 1.00 73.04 H new ATOM 1379 N ARG A 85 -3.069 2.640 -16.447 1.00 72.21 N ATOM 1380 CA ARG A 85 -4.518 2.477 -16.568 1.00 2.14 C ATOM 1381 C ARG A 85 -5.215 3.841 -16.497 1.00 33.14 C ATOM 1382 O ARG A 85 -5.995 4.157 -17.371 1.00 44.22 O ATOM 1383 CB ARG A 85 -5.065 1.522 -15.475 1.00 50.15 C ATOM 1384 CG ARG A 85 -6.514 1.039 -15.710 1.00 44.35 C ATOM 1385 CD ARG A 85 -6.686 0.276 -17.047 1.00 72.32 C ATOM 1386 NE ARG A 85 -8.032 -0.327 -17.206 1.00 1.24 N ATOM 1387 CZ ARG A 85 -8.546 -0.784 -18.369 1.00 62.33 C ATOM 1388 NH1 ARG A 85 -7.863 -0.711 -19.502 1.00 45.25 N ATOM 1389 NH2 ARG A 85 -9.743 -1.353 -18.386 1.00 62.15 N ATOM 0 H ARG A 85 -2.697 2.350 -15.543 1.00 72.21 H new ATOM 0 HA ARG A 85 -4.731 2.029 -17.538 1.00 2.14 H new ATOM 0 HB2 ARG A 85 -4.412 0.652 -15.411 1.00 50.15 H new ATOM 0 HB3 ARG A 85 -5.016 2.028 -14.511 1.00 50.15 H new ATOM 0 HG2 ARG A 85 -6.814 0.391 -14.886 1.00 44.35 H new ATOM 0 HG3 ARG A 85 -7.184 1.898 -15.699 1.00 44.35 H new ATOM 0 HD2 ARG A 85 -6.501 0.960 -17.875 1.00 72.32 H new ATOM 0 HD3 ARG A 85 -5.933 -0.510 -17.109 1.00 72.32 H new ATOM 0 HE ARG A 85 -8.615 -0.403 -16.372 1.00 1.24 H new ATOM 0 HH11 ARG A 85 -6.928 -0.303 -19.509 1.00 45.25 H new ATOM 0 HH12 ARG A 85 -8.272 -1.063 -20.368 1.00 45.25 H new ATOM 0 HH21 ARG A 85 -10.276 -1.446 -17.521 1.00 62.15 H new ATOM 0 HH22 ARG A 85 -10.131 -1.698 -19.264 1.00 62.15 H new ATOM 1403 N LEU A 86 -4.902 4.649 -15.464 1.00 60.23 N ATOM 1404 CA LEU A 86 -5.503 5.996 -15.289 1.00 43.14 C ATOM 1405 C LEU A 86 -5.149 6.929 -16.454 1.00 54.32 C ATOM 1406 O LEU A 86 -5.996 7.693 -16.906 1.00 55.12 O ATOM 1407 CB LEU A 86 -5.047 6.655 -13.963 1.00 31.21 C ATOM 1408 CG LEU A 86 -5.651 6.066 -12.660 1.00 31.35 C ATOM 1409 CD1 LEU A 86 -5.023 6.743 -11.426 1.00 63.32 C ATOM 1410 CD2 LEU A 86 -7.193 6.197 -12.658 1.00 63.52 C ATOM 0 H LEU A 86 -4.236 4.396 -14.735 1.00 60.23 H new ATOM 0 HA LEU A 86 -6.583 5.849 -15.264 1.00 43.14 H new ATOM 0 HB2 LEU A 86 -3.961 6.582 -13.900 1.00 31.21 H new ATOM 0 HB3 LEU A 86 -5.294 7.716 -14.006 1.00 31.21 H new ATOM 0 HG LEU A 86 -5.416 5.003 -12.616 1.00 31.35 H new ATOM 0 HD11 LEU A 86 -5.456 6.320 -10.519 1.00 63.32 H new ATOM 0 HD12 LEU A 86 -3.946 6.574 -11.427 1.00 63.32 H new ATOM 0 HD13 LEU A 86 -5.222 7.814 -11.458 1.00 63.32 H new ATOM 0 HD21 LEU A 86 -7.593 5.777 -11.735 1.00 63.52 H new ATOM 0 HD22 LEU A 86 -7.469 7.249 -12.727 1.00 63.52 H new ATOM 0 HD23 LEU A 86 -7.605 5.657 -13.510 1.00 63.52 H new ATOM 1422 N ASP A 87 -3.884 6.863 -16.902 1.00 75.13 N ATOM 1423 CA ASP A 87 -3.393 7.672 -18.032 1.00 4.10 C ATOM 1424 C ASP A 87 -4.182 7.338 -19.322 1.00 42.41 C ATOM 1425 O ASP A 87 -4.715 8.242 -19.995 1.00 52.34 O ATOM 1426 CB ASP A 87 -1.878 7.421 -18.218 1.00 63.31 C ATOM 1427 CG ASP A 87 -1.269 8.174 -19.410 1.00 30.40 C ATOM 1428 OD1 ASP A 87 -1.149 7.580 -20.504 1.00 15.43 O ATOM 1429 OD2 ASP A 87 -0.891 9.357 -19.258 1.00 43.31 O ATOM 0 H ASP A 87 -3.176 6.252 -16.495 1.00 75.13 H new ATOM 0 HA ASP A 87 -3.549 8.730 -17.819 1.00 4.10 H new ATOM 0 HB2 ASP A 87 -1.355 7.716 -17.308 1.00 63.31 H new ATOM 0 HB3 ASP A 87 -1.709 6.352 -18.350 1.00 63.31 H new ATOM 1434 N GLU A 88 -4.279 6.021 -19.611 1.00 10.13 N ATOM 1435 CA GLU A 88 -5.041 5.483 -20.753 1.00 23.24 C ATOM 1436 C GLU A 88 -6.516 5.915 -20.676 1.00 73.23 C ATOM 1437 O GLU A 88 -7.015 6.573 -21.581 1.00 54.13 O ATOM 1438 CB GLU A 88 -4.936 3.934 -20.772 1.00 40.43 C ATOM 1439 CG GLU A 88 -5.726 3.241 -21.903 1.00 13.00 C ATOM 1440 CD GLU A 88 -5.720 1.713 -21.777 1.00 50.41 C ATOM 1441 OE1 GLU A 88 -6.414 1.193 -20.885 1.00 34.42 O ATOM 1442 OE2 GLU A 88 -5.008 1.028 -22.545 1.00 2.24 O ATOM 0 H GLU A 88 -3.826 5.298 -19.052 1.00 10.13 H new ATOM 0 HA GLU A 88 -4.617 5.882 -21.674 1.00 23.24 H new ATOM 0 HB2 GLU A 88 -3.885 3.657 -20.860 1.00 40.43 H new ATOM 0 HB3 GLU A 88 -5.288 3.549 -19.815 1.00 40.43 H new ATOM 0 HG2 GLU A 88 -6.756 3.598 -21.893 1.00 13.00 H new ATOM 0 HG3 GLU A 88 -5.299 3.524 -22.865 1.00 13.00 H new ATOM 1449 N LEU A 89 -7.170 5.575 -19.547 1.00 43.12 N ATOM 1450 CA LEU A 89 -8.600 5.851 -19.294 1.00 32.03 C ATOM 1451 C LEU A 89 -8.926 7.352 -19.405 1.00 14.41 C ATOM 1452 O LEU A 89 -9.947 7.718 -19.974 1.00 61.43 O ATOM 1453 CB LEU A 89 -9.038 5.320 -17.892 1.00 3.01 C ATOM 1454 CG LEU A 89 -9.028 3.768 -17.686 1.00 71.14 C ATOM 1455 CD1 LEU A 89 -9.457 3.397 -16.242 1.00 52.44 C ATOM 1456 CD2 LEU A 89 -9.895 3.055 -18.742 1.00 33.54 C ATOM 0 H LEU A 89 -6.713 5.093 -18.773 1.00 43.12 H new ATOM 0 HA LEU A 89 -9.160 5.323 -20.066 1.00 32.03 H new ATOM 0 HB2 LEU A 89 -8.385 5.766 -17.142 1.00 3.01 H new ATOM 0 HB3 LEU A 89 -10.047 5.682 -17.692 1.00 3.01 H new ATOM 0 HG LEU A 89 -8.005 3.418 -17.824 1.00 71.14 H new ATOM 0 HD11 LEU A 89 -9.442 2.313 -16.125 1.00 52.44 H new ATOM 0 HD12 LEU A 89 -8.766 3.849 -15.530 1.00 52.44 H new ATOM 0 HD13 LEU A 89 -10.465 3.768 -16.055 1.00 52.44 H new ATOM 0 HD21 LEU A 89 -9.866 1.979 -18.570 1.00 33.54 H new ATOM 0 HD22 LEU A 89 -10.924 3.407 -18.666 1.00 33.54 H new ATOM 0 HD23 LEU A 89 -9.509 3.274 -19.738 1.00 33.54 H new ATOM 1468 N SER A 90 -8.031 8.201 -18.876 1.00 72.20 N ATOM 1469 CA SER A 90 -8.192 9.665 -18.908 1.00 24.25 C ATOM 1470 C SER A 90 -8.138 10.181 -20.362 1.00 4.04 C ATOM 1471 O SER A 90 -8.918 11.066 -20.758 1.00 64.21 O ATOM 1472 CB SER A 90 -7.105 10.326 -18.031 1.00 62.01 C ATOM 1473 OG SER A 90 -7.263 11.729 -17.950 1.00 64.54 O ATOM 0 H SER A 90 -7.175 7.893 -18.414 1.00 72.20 H new ATOM 0 HA SER A 90 -9.168 9.932 -18.502 1.00 24.25 H new ATOM 0 HB2 SER A 90 -7.141 9.900 -17.028 1.00 62.01 H new ATOM 0 HB3 SER A 90 -6.121 10.096 -18.440 1.00 62.01 H new ATOM 0 HG SER A 90 -6.556 12.106 -17.385 1.00 64.54 H new ATOM 1819 N MET A1001 -13.508 8.592 -9.436 1.00 31.11 N ATOM 1820 CA MET A1001 -12.516 7.546 -9.776 1.00 15.43 C ATOM 1821 C MET A1001 -11.088 8.123 -9.946 1.00 74.31 C ATOM 1822 O MET A1001 -10.126 7.606 -9.352 1.00 24.44 O ATOM 1823 CB MET A1001 -12.942 6.811 -11.077 1.00 72.24 C ATOM 1824 CG MET A1001 -11.986 5.689 -11.533 1.00 55.12 C ATOM 1825 SD MET A1001 -12.468 4.944 -13.110 1.00 22.44 S ATOM 1826 CE MET A1001 -12.374 6.349 -14.230 1.00 31.22 C ATOM 0 HA MET A1001 -12.490 6.843 -8.943 1.00 15.43 H new ATOM 0 HB2 MET A1001 -13.934 6.385 -10.928 1.00 72.24 H new ATOM 0 HB3 MET A1001 -13.028 7.544 -11.879 1.00 72.24 H new ATOM 0 HG2 MET A1001 -10.977 6.093 -11.622 1.00 55.12 H new ATOM 0 HG3 MET A1001 -11.953 4.914 -10.767 1.00 55.12 H new ATOM 0 HE1 MET A1001 -12.310 5.991 -15.258 1.00 31.22 H new ATOM 0 HE2 MET A1001 -13.265 6.966 -14.115 1.00 31.22 H new ATOM 0 HE3 MET A1001 -11.490 6.942 -13.996 1.00 31.22 H new ATOM 1836 N THR A1002 -10.974 9.211 -10.735 1.00 44.13 N ATOM 1837 CA THR A1002 -9.675 9.822 -11.064 1.00 5.31 C ATOM 1838 C THR A1002 -9.007 10.433 -9.823 1.00 43.14 C ATOM 1839 O THR A1002 -7.874 10.083 -9.505 1.00 5.14 O ATOM 1840 CB THR A1002 -9.804 10.905 -12.186 1.00 51.41 C ATOM 1841 OG1 THR A1002 -10.766 11.907 -11.811 1.00 52.54 O ATOM 1842 CG2 THR A1002 -10.196 10.282 -13.536 1.00 53.12 C ATOM 0 H THR A1002 -11.773 9.685 -11.157 1.00 44.13 H new ATOM 0 HA THR A1002 -9.043 9.017 -11.439 1.00 5.31 H new ATOM 0 HB THR A1002 -8.826 11.371 -12.302 1.00 51.41 H new ATOM 0 HG1 THR A1002 -10.834 12.578 -12.522 1.00 52.54 H new ATOM 0 HG21 THR A1002 -10.276 11.066 -14.289 1.00 53.12 H new ATOM 0 HG22 THR A1002 -9.435 9.563 -13.840 1.00 53.12 H new ATOM 0 HG23 THR A1002 -11.156 9.775 -13.438 1.00 53.12 H new ATOM 1850 N THR A1003 -9.736 11.315 -9.114 1.00 14.12 N ATOM 1851 CA THR A1003 -9.213 12.032 -7.936 1.00 4.24 C ATOM 1852 C THR A1003 -8.784 11.047 -6.824 1.00 13.24 C ATOM 1853 O THR A1003 -7.714 11.205 -6.215 1.00 45.42 O ATOM 1854 CB THR A1003 -10.283 13.044 -7.401 1.00 40.31 C ATOM 1855 OG1 THR A1003 -10.648 13.943 -8.461 1.00 2.45 O ATOM 1856 CG2 THR A1003 -9.788 13.862 -6.196 1.00 12.21 C ATOM 0 H THR A1003 -10.702 11.550 -9.341 1.00 14.12 H new ATOM 0 HA THR A1003 -8.327 12.589 -8.241 1.00 4.24 H new ATOM 0 HB THR A1003 -11.140 12.460 -7.064 1.00 40.31 H new ATOM 0 HG1 THR A1003 -11.319 14.579 -8.135 1.00 2.45 H new ATOM 0 HG21 THR A1003 -10.574 14.544 -5.872 1.00 12.21 H new ATOM 0 HG22 THR A1003 -9.533 13.188 -5.378 1.00 12.21 H new ATOM 0 HG23 THR A1003 -8.906 14.435 -6.483 1.00 12.21 H new ATOM 1864 N ARG A1004 -9.617 10.004 -6.619 1.00 1.04 N ATOM 1865 CA ARG A1004 -9.373 8.948 -5.618 1.00 2.33 C ATOM 1866 C ARG A1004 -8.086 8.165 -5.934 1.00 72.13 C ATOM 1867 O ARG A1004 -7.192 8.081 -5.093 1.00 22.12 O ATOM 1868 CB ARG A1004 -10.572 7.961 -5.541 1.00 55.14 C ATOM 1869 CG ARG A1004 -11.847 8.500 -4.856 1.00 14.14 C ATOM 1870 CD ARG A1004 -12.989 7.467 -4.876 1.00 51.22 C ATOM 1871 NE ARG A1004 -14.227 7.986 -4.272 1.00 61.42 N ATOM 1872 CZ ARG A1004 -15.399 7.320 -4.219 1.00 62.20 C ATOM 1873 NH1 ARG A1004 -15.516 6.096 -4.732 1.00 71.41 N ATOM 1874 NH2 ARG A1004 -16.453 7.888 -3.645 1.00 20.13 N ATOM 0 H ARG A1004 -10.480 9.872 -7.146 1.00 1.04 H new ATOM 0 HA ARG A1004 -9.257 9.442 -4.654 1.00 2.33 H new ATOM 0 HB2 ARG A1004 -10.830 7.653 -6.554 1.00 55.14 H new ATOM 0 HB3 ARG A1004 -10.248 7.067 -5.009 1.00 55.14 H new ATOM 0 HG2 ARG A1004 -11.619 8.769 -3.825 1.00 14.14 H new ATOM 0 HG3 ARG A1004 -12.172 9.411 -5.359 1.00 14.14 H new ATOM 0 HD2 ARG A1004 -13.188 7.169 -5.906 1.00 51.22 H new ATOM 0 HD3 ARG A1004 -12.674 6.571 -4.340 1.00 51.22 H new ATOM 0 HE ARG A1004 -14.196 8.920 -3.863 1.00 61.42 H new ATOM 0 HH11 ARG A1004 -14.712 5.649 -5.173 1.00 71.41 H new ATOM 0 HH12 ARG A1004 -16.409 5.606 -4.684 1.00 71.41 H new ATOM 0 HH21 ARG A1004 -16.374 8.824 -3.247 1.00 20.13 H new ATOM 0 HH22 ARG A1004 -17.341 7.389 -3.602 1.00 20.13 H new ATOM 1888 N LEU A1005 -8.007 7.609 -7.163 1.00 12.33 N ATOM 1889 CA LEU A1005 -6.896 6.725 -7.571 1.00 31.52 C ATOM 1890 C LEU A1005 -5.570 7.490 -7.789 1.00 11.30 C ATOM 1891 O LEU A1005 -4.504 6.898 -7.639 1.00 22.25 O ATOM 1892 CB LEU A1005 -7.267 5.874 -8.824 1.00 24.22 C ATOM 1893 CG LEU A1005 -8.174 4.623 -8.588 1.00 20.55 C ATOM 1894 CD1 LEU A1005 -8.467 3.881 -9.915 1.00 42.04 C ATOM 1895 CD2 LEU A1005 -7.545 3.664 -7.547 1.00 74.53 C ATOM 0 H LEU A1005 -8.704 7.759 -7.892 1.00 12.33 H new ATOM 0 HA LEU A1005 -6.731 6.042 -6.738 1.00 31.52 H new ATOM 0 HB2 LEU A1005 -7.768 6.526 -9.540 1.00 24.22 H new ATOM 0 HB3 LEU A1005 -6.342 5.538 -9.292 1.00 24.22 H new ATOM 0 HG LEU A1005 -9.124 4.978 -8.188 1.00 20.55 H new ATOM 0 HD11 LEU A1005 -9.100 3.016 -9.716 1.00 42.04 H new ATOM 0 HD12 LEU A1005 -8.978 4.554 -10.603 1.00 42.04 H new ATOM 0 HD13 LEU A1005 -7.529 3.549 -10.361 1.00 42.04 H new ATOM 0 HD21 LEU A1005 -8.198 2.803 -7.404 1.00 74.53 H new ATOM 0 HD22 LEU A1005 -6.573 3.326 -7.905 1.00 74.53 H new ATOM 0 HD23 LEU A1005 -7.421 4.187 -6.599 1.00 74.53 H new ATOM 1907 N THR A1006 -5.624 8.785 -8.150 1.00 12.44 N ATOM 1908 CA THR A1006 -4.401 9.612 -8.305 1.00 3.43 C ATOM 1909 C THR A1006 -3.856 10.033 -6.924 1.00 72.13 C ATOM 1910 O THR A1006 -2.632 10.048 -6.707 1.00 23.53 O ATOM 1911 CB THR A1006 -4.661 10.870 -9.191 1.00 11.13 C ATOM 1912 OG1 THR A1006 -5.764 11.608 -8.655 1.00 32.44 O ATOM 1913 CG2 THR A1006 -4.946 10.494 -10.661 1.00 11.50 C ATOM 0 H THR A1006 -6.493 9.284 -8.340 1.00 12.44 H new ATOM 0 HA THR A1006 -3.654 9.000 -8.811 1.00 3.43 H new ATOM 0 HB THR A1006 -3.759 11.481 -9.180 1.00 11.13 H new ATOM 0 HG1 THR A1006 -6.597 11.120 -8.824 1.00 32.44 H new ATOM 0 HG21 THR A1006 -5.121 11.400 -11.241 1.00 11.50 H new ATOM 0 HG22 THR A1006 -4.090 9.960 -11.072 1.00 11.50 H new ATOM 0 HG23 THR A1006 -5.829 9.856 -10.709 1.00 11.50 H new ATOM 1921 N ARG A1007 -4.782 10.365 -5.993 1.00 5.20 N ATOM 1922 CA ARG A1007 -4.449 10.588 -4.565 1.00 41.43 C ATOM 1923 C ARG A1007 -3.835 9.308 -3.970 1.00 65.11 C ATOM 1924 O ARG A1007 -2.858 9.357 -3.219 1.00 4.13 O ATOM 1925 CB ARG A1007 -5.720 10.979 -3.770 1.00 1.40 C ATOM 1926 CG ARG A1007 -5.526 11.167 -2.245 1.00 51.34 C ATOM 1927 CD ARG A1007 -6.848 11.442 -1.506 1.00 52.33 C ATOM 1928 NE ARG A1007 -6.667 11.457 -0.041 1.00 71.01 N ATOM 1929 CZ ARG A1007 -7.528 10.952 0.863 1.00 32.02 C ATOM 1930 NH1 ARG A1007 -8.670 10.376 0.486 1.00 11.04 N ATOM 1931 NH2 ARG A1007 -7.222 11.015 2.154 1.00 45.33 N ATOM 0 H ARG A1007 -5.772 10.485 -6.207 1.00 5.20 H new ATOM 0 HA ARG A1007 -3.728 11.402 -4.495 1.00 41.43 H new ATOM 0 HB2 ARG A1007 -6.115 11.907 -4.185 1.00 1.40 H new ATOM 0 HB3 ARG A1007 -6.477 10.211 -3.930 1.00 1.40 H new ATOM 0 HG2 ARG A1007 -5.062 10.273 -1.829 1.00 51.34 H new ATOM 0 HG3 ARG A1007 -4.838 11.994 -2.070 1.00 51.34 H new ATOM 0 HD2 ARG A1007 -7.253 12.400 -1.832 1.00 52.33 H new ATOM 0 HD3 ARG A1007 -7.579 10.679 -1.774 1.00 52.33 H new ATOM 0 HE ARG A1007 -5.815 11.888 0.318 1.00 71.01 H new ATOM 0 HH11 ARG A1007 -8.906 10.311 -0.504 1.00 11.04 H new ATOM 0 HH12 ARG A1007 -9.308 10.000 1.188 1.00 11.04 H new ATOM 0 HH21 ARG A1007 -6.344 11.442 2.450 1.00 45.33 H new ATOM 0 HH22 ARG A1007 -7.865 10.636 2.850 1.00 45.33 H new ATOM 1945 N TRP A1008 -4.431 8.175 -4.358 1.00 21.40 N ATOM 1946 CA TRP A1008 -3.997 6.834 -3.963 1.00 11.45 C ATOM 1947 C TRP A1008 -2.582 6.547 -4.507 1.00 34.43 C ATOM 1948 O TRP A1008 -1.738 6.091 -3.754 1.00 30.51 O ATOM 1949 CB TRP A1008 -5.079 5.796 -4.430 1.00 64.14 C ATOM 1950 CG TRP A1008 -4.599 4.413 -4.834 1.00 1.35 C ATOM 1951 CD1 TRP A1008 -4.113 4.047 -6.056 1.00 4.10 C ATOM 1952 CD2 TRP A1008 -4.613 3.212 -4.046 1.00 44.12 C ATOM 1953 NE1 TRP A1008 -3.789 2.728 -6.059 1.00 3.32 N ATOM 1954 CE2 TRP A1008 -4.100 2.182 -4.851 1.00 72.31 C ATOM 1955 CE3 TRP A1008 -5.003 2.903 -2.743 1.00 75.41 C ATOM 1956 CZ2 TRP A1008 -3.969 0.876 -4.404 1.00 51.03 C ATOM 1957 CZ3 TRP A1008 -4.874 1.606 -2.295 1.00 31.30 C ATOM 1958 CH2 TRP A1008 -4.361 0.602 -3.127 1.00 44.10 C ATOM 0 H TRP A1008 -5.247 8.167 -4.970 1.00 21.40 H new ATOM 0 HA TRP A1008 -3.916 6.753 -2.879 1.00 11.45 H new ATOM 0 HB2 TRP A1008 -5.802 5.678 -3.623 1.00 64.14 H new ATOM 0 HB3 TRP A1008 -5.614 6.226 -5.277 1.00 64.14 H new ATOM 0 HD1 TRP A1008 -4.002 4.712 -6.900 1.00 4.10 H new ATOM 0 HE1 TRP A1008 -3.377 2.225 -6.844 1.00 3.32 H new ATOM 0 HE3 TRP A1008 -5.401 3.669 -2.094 1.00 75.41 H new ATOM 0 HZ2 TRP A1008 -3.571 0.103 -5.045 1.00 51.03 H new ATOM 0 HZ3 TRP A1008 -5.173 1.360 -1.287 1.00 31.30 H new ATOM 0 HH2 TRP A1008 -4.275 -0.406 -2.750 1.00 44.10 H new ATOM 1969 N LEU A1009 -2.322 6.866 -5.800 1.00 63.53 N ATOM 1970 CA LEU A1009 -1.011 6.589 -6.450 1.00 33.52 C ATOM 1971 C LEU A1009 0.117 7.456 -5.868 1.00 53.22 C ATOM 1972 O LEU A1009 1.263 7.001 -5.771 1.00 73.24 O ATOM 1973 CB LEU A1009 -1.074 6.779 -7.995 1.00 74.22 C ATOM 1974 CG LEU A1009 -1.823 5.678 -8.818 1.00 44.02 C ATOM 1975 CD1 LEU A1009 -1.757 5.985 -10.329 1.00 13.12 C ATOM 1976 CD2 LEU A1009 -1.276 4.266 -8.522 1.00 14.20 C ATOM 0 H LEU A1009 -3.001 7.315 -6.415 1.00 63.53 H new ATOM 0 HA LEU A1009 -0.787 5.544 -6.238 1.00 33.52 H new ATOM 0 HB2 LEU A1009 -1.551 7.737 -8.199 1.00 74.22 H new ATOM 0 HB3 LEU A1009 -0.053 6.846 -8.370 1.00 74.22 H new ATOM 0 HG LEU A1009 -2.867 5.693 -8.506 1.00 44.02 H new ATOM 0 HD11 LEU A1009 -2.284 5.207 -10.882 1.00 13.12 H new ATOM 0 HD12 LEU A1009 -2.225 6.950 -10.525 1.00 13.12 H new ATOM 0 HD13 LEU A1009 -0.715 6.015 -10.649 1.00 13.12 H new ATOM 0 HD21 LEU A1009 -1.823 3.532 -9.114 1.00 14.20 H new ATOM 0 HD22 LEU A1009 -0.218 4.224 -8.781 1.00 14.20 H new ATOM 0 HD23 LEU A1009 -1.400 4.043 -7.462 1.00 14.20 H new ATOM 1988 N THR A1010 -0.202 8.709 -5.495 1.00 54.42 N ATOM 1989 CA THR A1010 0.785 9.604 -4.863 1.00 24.52 C ATOM 1990 C THR A1010 0.950 9.238 -3.368 1.00 34.22 C ATOM 1991 O THR A1010 1.993 9.506 -2.777 1.00 43.41 O ATOM 1992 CB THR A1010 0.432 11.128 -5.062 1.00 2.41 C ATOM 1993 OG1 THR A1010 1.569 11.945 -4.732 1.00 75.11 O ATOM 1994 CG2 THR A1010 -0.769 11.586 -4.222 1.00 24.40 C ATOM 0 H THR A1010 -1.126 9.122 -5.619 1.00 54.42 H new ATOM 0 HA THR A1010 1.742 9.454 -5.363 1.00 24.52 H new ATOM 0 HB THR A1010 0.162 11.244 -6.112 1.00 2.41 H new ATOM 0 HG1 THR A1010 1.341 12.890 -4.860 1.00 75.11 H new ATOM 0 HG21 THR A1010 -0.959 12.644 -4.405 1.00 24.40 H new ATOM 0 HG22 THR A1010 -1.649 11.006 -4.499 1.00 24.40 H new ATOM 0 HG23 THR A1010 -0.552 11.434 -3.165 1.00 24.40 H new ATOM 2002 N ALA A1011 -0.081 8.584 -2.784 1.00 2.13 N ATOM 2003 CA ALA A1011 -0.020 8.025 -1.414 1.00 33.03 C ATOM 2004 C ALA A1011 0.771 6.703 -1.391 1.00 43.04 C ATOM 2005 O ALA A1011 1.387 6.358 -0.370 1.00 71.25 O ATOM 2006 CB ALA A1011 -1.433 7.816 -0.862 1.00 33.40 C ATOM 0 H ALA A1011 -0.976 8.430 -3.248 1.00 2.13 H new ATOM 0 HA ALA A1011 0.502 8.740 -0.777 1.00 33.03 H new ATOM 0 HB1 ALA A1011 -1.373 7.405 0.146 1.00 33.40 H new ATOM 0 HB2 ALA A1011 -1.957 8.771 -0.833 1.00 33.40 H new ATOM 0 HB3 ALA A1011 -1.976 7.123 -1.505 1.00 33.40 H new ATOM 2012 N LEU A1012 0.745 5.977 -2.532 1.00 53.33 N ATOM 2013 CA LEU A1012 1.554 4.759 -2.723 1.00 41.23 C ATOM 2014 C LEU A1012 3.022 5.172 -2.843 1.00 23.13 C ATOM 2015 O LEU A1012 3.890 4.651 -2.157 1.00 22.04 O ATOM 2016 CB LEU A1012 1.139 3.962 -4.002 1.00 14.22 C ATOM 2017 CG LEU A1012 -0.312 3.380 -4.069 1.00 11.02 C ATOM 2018 CD1 LEU A1012 -0.446 2.369 -5.234 1.00 20.52 C ATOM 2019 CD2 LEU A1012 -0.755 2.771 -2.720 1.00 54.43 C ATOM 0 H LEU A1012 0.167 6.219 -3.337 1.00 53.33 H new ATOM 0 HA LEU A1012 1.392 4.105 -1.867 1.00 41.23 H new ATOM 0 HB2 LEU A1012 1.275 4.617 -4.862 1.00 14.22 H new ATOM 0 HB3 LEU A1012 1.837 3.133 -4.119 1.00 14.22 H new ATOM 0 HG LEU A1012 -0.992 4.208 -4.270 1.00 11.02 H new ATOM 0 HD11 LEU A1012 -1.463 1.978 -5.261 1.00 20.52 H new ATOM 0 HD12 LEU A1012 -0.225 2.869 -6.177 1.00 20.52 H new ATOM 0 HD13 LEU A1012 0.255 1.548 -5.085 1.00 20.52 H new ATOM 0 HD21 LEU A1012 -1.768 2.379 -2.813 1.00 54.43 H new ATOM 0 HD22 LEU A1012 -0.077 1.963 -2.446 1.00 54.43 H new ATOM 0 HD23 LEU A1012 -0.733 3.541 -1.949 1.00 54.43 H new ATOM 2031 N ASP A1013 3.242 6.164 -3.721 1.00 74.22 N ATOM 2032 CA ASP A1013 4.555 6.771 -3.972 1.00 41.20 C ATOM 2033 C ASP A1013 5.112 7.424 -2.690 1.00 41.33 C ATOM 2034 O ASP A1013 6.324 7.431 -2.478 1.00 50.24 O ATOM 2035 CB ASP A1013 4.434 7.812 -5.121 1.00 14.33 C ATOM 2036 CG ASP A1013 5.783 8.431 -5.547 1.00 50.51 C ATOM 2037 OD1 ASP A1013 6.461 7.864 -6.434 1.00 40.44 O ATOM 2038 OD2 ASP A1013 6.171 9.488 -5.008 1.00 61.13 O ATOM 0 H ASP A1013 2.497 6.573 -4.286 1.00 74.22 H new ATOM 0 HA ASP A1013 5.256 5.992 -4.274 1.00 41.20 H new ATOM 0 HB2 ASP A1013 3.976 7.333 -5.986 1.00 14.33 H new ATOM 0 HB3 ASP A1013 3.762 8.610 -4.806 1.00 14.33 H new ATOM 2043 N ASN A1014 4.200 7.951 -1.836 1.00 14.02 N ATOM 2044 CA ASN A1014 4.568 8.576 -0.549 1.00 52.14 C ATOM 2045 C ASN A1014 5.030 7.509 0.452 1.00 13.22 C ATOM 2046 O ASN A1014 6.058 7.680 1.095 1.00 0.02 O ATOM 2047 CB ASN A1014 3.384 9.389 0.042 1.00 52.11 C ATOM 2048 CG ASN A1014 3.808 10.292 1.212 1.00 15.35 C ATOM 2049 OD1 ASN A1014 3.741 9.906 2.380 1.00 1.33 O ATOM 2050 ND2 ASN A1014 4.262 11.500 0.906 1.00 45.03 N ATOM 0 H ASN A1014 3.197 7.953 -2.021 1.00 14.02 H new ATOM 0 HA ASN A1014 5.391 9.266 -0.736 1.00 52.14 H new ATOM 0 HB2 ASN A1014 2.942 10.003 -0.743 1.00 52.11 H new ATOM 0 HB3 ASN A1014 2.610 8.701 0.382 1.00 52.11 H new ATOM 0 HD21 ASN A1014 4.566 12.133 1.646 1.00 45.03 H new ATOM 0 HD22 ASN A1014 4.308 11.796 -0.069 1.00 45.03 H new ATOM 2057 N PHE A1015 4.261 6.403 0.559 1.00 23.41 N ATOM 2058 CA PHE A1015 4.593 5.262 1.440 1.00 63.14 C ATOM 2059 C PHE A1015 5.950 4.666 1.045 1.00 74.12 C ATOM 2060 O PHE A1015 6.865 4.618 1.861 1.00 52.12 O ATOM 2061 CB PHE A1015 3.472 4.197 1.357 1.00 53.14 C ATOM 2062 CG PHE A1015 3.808 2.833 1.974 1.00 54.34 C ATOM 2063 CD1 PHE A1015 3.913 1.710 1.171 1.00 44.02 C ATOM 2064 CD2 PHE A1015 4.001 2.675 3.341 1.00 60.32 C ATOM 2065 CE1 PHE A1015 4.189 0.470 1.693 1.00 75.50 C ATOM 2066 CE2 PHE A1015 4.285 1.430 3.876 1.00 43.33 C ATOM 2067 CZ PHE A1015 4.376 0.328 3.045 1.00 42.20 C ATOM 0 H PHE A1015 3.394 6.276 0.037 1.00 23.41 H new ATOM 0 HA PHE A1015 4.665 5.609 2.471 1.00 63.14 H new ATOM 0 HB2 PHE A1015 2.584 4.591 1.851 1.00 53.14 H new ATOM 0 HB3 PHE A1015 3.214 4.048 0.309 1.00 53.14 H new ATOM 0 HD1 PHE A1015 3.774 1.812 0.105 1.00 44.02 H new ATOM 0 HD2 PHE A1015 3.929 3.533 3.993 1.00 60.32 H new ATOM 0 HE1 PHE A1015 4.259 -0.389 1.042 1.00 75.50 H new ATOM 0 HE2 PHE A1015 4.435 1.320 4.940 1.00 43.33 H new ATOM 0 HZ PHE A1015 4.594 -0.645 3.460 1.00 42.20 H new ATOM 2077 N GLU A1016 6.025 4.247 -0.227 1.00 4.43 N ATOM 2078 CA GLU A1016 7.244 3.788 -0.913 1.00 2.35 C ATOM 2079 C GLU A1016 8.462 4.680 -0.602 1.00 23.32 C ATOM 2080 O GLU A1016 9.510 4.172 -0.171 1.00 42.42 O ATOM 2081 CB GLU A1016 6.934 3.766 -2.434 1.00 13.22 C ATOM 2082 CG GLU A1016 8.122 3.537 -3.377 1.00 10.45 C ATOM 2083 CD GLU A1016 7.706 3.520 -4.851 1.00 22.12 C ATOM 2084 OE1 GLU A1016 7.312 4.588 -5.369 1.00 42.33 O ATOM 2085 OE2 GLU A1016 7.785 2.453 -5.501 1.00 1.12 O ATOM 0 H GLU A1016 5.204 4.217 -0.832 1.00 4.43 H new ATOM 0 HA GLU A1016 7.514 2.793 -0.559 1.00 2.35 H new ATOM 0 HB2 GLU A1016 6.197 2.985 -2.620 1.00 13.22 H new ATOM 0 HB3 GLU A1016 6.467 4.714 -2.700 1.00 13.22 H new ATOM 0 HG2 GLU A1016 8.862 4.322 -3.221 1.00 10.45 H new ATOM 0 HG3 GLU A1016 8.603 2.591 -3.128 1.00 10.45 H new ATOM 2092 N ALA A1017 8.281 6.006 -0.768 1.00 2.55 N ATOM 2093 CA ALA A1017 9.337 6.995 -0.508 1.00 50.25 C ATOM 2094 C ALA A1017 9.786 6.962 0.961 1.00 53.42 C ATOM 2095 O ALA A1017 10.923 6.590 1.248 1.00 4.03 O ATOM 2096 CB ALA A1017 8.862 8.407 -0.881 1.00 4.14 C ATOM 0 H ALA A1017 7.402 6.416 -1.084 1.00 2.55 H new ATOM 0 HA ALA A1017 10.192 6.733 -1.131 1.00 50.25 H new ATOM 0 HB1 ALA A1017 9.659 9.124 -0.681 1.00 4.14 H new ATOM 0 HB2 ALA A1017 8.605 8.437 -1.940 1.00 4.14 H new ATOM 0 HB3 ALA A1017 7.985 8.664 -0.287 1.00 4.14 H new ATOM 2102 N LYS A1018 8.839 7.256 1.874 1.00 44.42 N ATOM 2103 CA LYS A1018 9.102 7.403 3.325 1.00 1.15 C ATOM 2104 C LYS A1018 9.666 6.112 3.945 1.00 65.24 C ATOM 2105 O LYS A1018 10.501 6.149 4.865 1.00 64.10 O ATOM 2106 CB LYS A1018 7.799 7.789 4.074 1.00 3.31 C ATOM 2107 CG LYS A1018 7.126 9.101 3.629 1.00 32.24 C ATOM 2108 CD LYS A1018 7.952 10.358 3.961 1.00 22.50 C ATOM 2109 CE LYS A1018 7.191 11.643 3.604 1.00 23.33 C ATOM 2110 NZ LYS A1018 7.958 12.870 3.945 1.00 71.31 N ATOM 0 H LYS A1018 7.860 7.400 1.626 1.00 44.42 H new ATOM 0 HA LYS A1018 9.847 8.192 3.432 1.00 1.15 H new ATOM 0 HB2 LYS A1018 7.081 6.977 3.955 1.00 3.31 H new ATOM 0 HB3 LYS A1018 8.024 7.862 5.138 1.00 3.31 H new ATOM 0 HG2 LYS A1018 6.951 9.064 2.554 1.00 32.24 H new ATOM 0 HG3 LYS A1018 6.150 9.180 4.108 1.00 32.24 H new ATOM 0 HD2 LYS A1018 8.198 10.363 5.023 1.00 22.50 H new ATOM 0 HD3 LYS A1018 8.895 10.329 3.415 1.00 22.50 H new ATOM 0 HE2 LYS A1018 6.965 11.644 2.538 1.00 23.33 H new ATOM 0 HE3 LYS A1018 6.237 11.656 4.132 1.00 23.33 H new ATOM 0 HZ1 LYS A1018 7.403 13.710 3.685 1.00 71.31 H new ATOM 0 HZ2 LYS A1018 8.152 12.886 4.967 1.00 71.31 H new ATOM 0 HZ3 LYS A1018 8.857 12.874 3.422 1.00 71.31 H new ATOM 2124 N MET A1019 9.217 4.964 3.429 1.00 21.34 N ATOM 2125 CA MET A1019 9.574 3.671 4.009 1.00 52.10 C ATOM 2126 C MET A1019 10.900 3.147 3.420 1.00 14.35 C ATOM 2127 O MET A1019 11.555 2.295 4.024 1.00 73.04 O ATOM 2128 CB MET A1019 8.419 2.643 3.887 1.00 43.04 C ATOM 2129 CG MET A1019 8.346 1.844 2.569 1.00 43.51 C ATOM 2130 SD MET A1019 7.693 0.190 2.838 1.00 50.14 S ATOM 2131 CE MET A1019 8.816 -0.389 4.106 1.00 11.21 C ATOM 0 H MET A1019 8.608 4.906 2.613 1.00 21.34 H new ATOM 0 HA MET A1019 9.735 3.818 5.077 1.00 52.10 H new ATOM 0 HB2 MET A1019 8.504 1.935 4.711 1.00 43.04 H new ATOM 0 HB3 MET A1019 7.475 3.173 4.018 1.00 43.04 H new ATOM 0 HG2 MET A1019 7.715 2.374 1.855 1.00 43.51 H new ATOM 0 HG3 MET A1019 9.340 1.777 2.127 1.00 43.51 H new ATOM 0 HE1 MET A1019 8.809 -1.479 4.128 1.00 11.21 H new ATOM 0 HE2 MET A1019 9.824 -0.037 3.887 1.00 11.21 H new ATOM 0 HE3 MET A1019 8.500 -0.004 5.075 1.00 11.21 H new ATOM 2141 N ALA A1020 11.276 3.644 2.227 1.00 1.21 N ATOM 2142 CA ALA A1020 12.663 3.519 1.726 1.00 22.05 C ATOM 2143 C ALA A1020 13.578 4.573 2.407 1.00 73.02 C ATOM 2144 O ALA A1020 14.809 4.437 2.404 1.00 31.12 O ATOM 2145 CB ALA A1020 12.693 3.655 0.199 1.00 61.01 C ATOM 0 H ALA A1020 10.645 4.134 1.593 1.00 1.21 H new ATOM 0 HA ALA A1020 13.044 2.530 1.980 1.00 22.05 H new ATOM 0 HB1 ALA A1020 13.720 3.561 -0.155 1.00 61.01 H new ATOM 0 HB2 ALA A1020 12.082 2.871 -0.248 1.00 61.01 H new ATOM 0 HB3 ALA A1020 12.299 4.630 -0.087 1.00 61.01 H new ATOM 2151 N LEU A1021 12.949 5.628 2.981 1.00 34.40 N ATOM 2152 CA LEU A1021 13.643 6.670 3.775 1.00 22.21 C ATOM 2153 C LEU A1021 13.750 6.266 5.265 1.00 23.52 C ATOM 2154 O LEU A1021 14.455 6.953 6.012 1.00 75.31 O ATOM 2155 CB LEU A1021 12.914 8.050 3.655 1.00 64.34 C ATOM 2156 CG LEU A1021 12.919 8.735 2.246 1.00 1.01 C ATOM 2157 CD1 LEU A1021 12.029 10.004 2.220 1.00 4.32 C ATOM 2158 CD2 LEU A1021 14.355 9.040 1.784 1.00 33.53 C ATOM 0 H LEU A1021 11.943 5.780 2.906 1.00 34.40 H new ATOM 0 HA LEU A1021 14.649 6.766 3.367 1.00 22.21 H new ATOM 0 HB2 LEU A1021 11.877 7.914 3.962 1.00 64.34 H new ATOM 0 HB3 LEU A1021 13.370 8.737 4.368 1.00 64.34 H new ATOM 0 HG LEU A1021 12.486 8.029 1.537 1.00 1.01 H new ATOM 0 HD11 LEU A1021 12.059 10.449 1.226 1.00 4.32 H new ATOM 0 HD12 LEU A1021 11.002 9.733 2.465 1.00 4.32 H new ATOM 0 HD13 LEU A1021 12.399 10.723 2.951 1.00 4.32 H new ATOM 0 HD21 LEU A1021 14.329 9.515 0.803 1.00 33.53 H new ATOM 0 HD22 LEU A1021 14.833 9.710 2.499 1.00 33.53 H new ATOM 0 HD23 LEU A1021 14.922 8.111 1.722 1.00 33.53 H new ATOM 2170 N LEU A1022 13.016 5.189 5.701 1.00 44.34 N ATOM 2171 CA LEU A1022 13.159 4.600 7.071 1.00 30.32 C ATOM 2172 C LEU A1022 14.654 4.473 7.479 1.00 50.22 C ATOM 2173 O LEU A1022 15.388 3.675 6.877 1.00 44.10 O ATOM 2174 CB LEU A1022 12.456 3.210 7.190 1.00 25.13 C ATOM 2175 CG LEU A1022 10.900 3.223 7.348 1.00 51.01 C ATOM 2176 CD1 LEU A1022 10.329 1.785 7.361 1.00 51.32 C ATOM 2177 CD2 LEU A1022 10.465 4.010 8.605 1.00 45.32 C ATOM 0 H LEU A1022 12.322 4.715 5.122 1.00 44.34 H new ATOM 0 HA LEU A1022 12.664 5.288 7.756 1.00 30.32 H new ATOM 0 HB2 LEU A1022 12.703 2.626 6.303 1.00 25.13 H new ATOM 0 HB3 LEU A1022 12.881 2.686 8.046 1.00 25.13 H new ATOM 0 HG LEU A1022 10.486 3.738 6.481 1.00 51.01 H new ATOM 0 HD11 LEU A1022 9.245 1.825 7.472 1.00 51.32 H new ATOM 0 HD12 LEU A1022 10.580 1.285 6.425 1.00 51.32 H new ATOM 0 HD13 LEU A1022 10.759 1.230 8.195 1.00 51.32 H new ATOM 0 HD21 LEU A1022 9.378 3.998 8.683 1.00 45.32 H new ATOM 0 HD22 LEU A1022 10.898 3.547 9.492 1.00 45.32 H new ATOM 0 HD23 LEU A1022 10.812 5.040 8.527 1.00 45.32 H new