USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1014 ASN : amide:sc= 0.462 K(o=0.97,f=-0.9) USER MOD Set 1.2: A1018 LYS NZ :NH3+ 167:sc= 0.51 (180deg=-0.0235) USER MOD Set 2.1: A 70 GLN : amide:sc= -0.214 K(o=-0.064,f=-3.1!) USER MOD Set 2.2: A 74 ASN : amide:sc= 0.15 K(o=-0.064,f=-2.4) USER MOD Set 3.1: A 40 TYR OH : rot 137:sc= 0.751 USER MOD Set 3.2: A 71 THR OG1 : rot -119:sc= 1.71 USER MOD Single : A 2 THR OG1 : rot -25:sc= 0.0954 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= -1.35 K(o=-1.3,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 18 SER OG : rot -24:sc= 0.186 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 84:sc= 1.05 USER MOD Single : A 26 GLN : amide:sc= -0.0831 X(o=-0.083,f=-0.54) USER MOD Single : A 35 GLN : amide:sc=-0.00678 X(o=-0.0068,f=-0.2) USER MOD Single : A 36 GLN : amide:sc= -3.42! K(o=-3.4!,f=-0.12) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 43 SER OG : rot -4:sc= 0.539 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.283 USER MOD Single : A 48 MET CE :methyl -148:sc= -0.579 (180deg=-2.33!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 176:sc= -0.513 (180deg=-0.571) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0397) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= -0.771 (180deg=-1.08) USER MOD Single : A 83 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.84) USER MOD Single : A 84 GLN : amide:sc= -0.402 X(o=-0.4,f=0) USER MOD Single : A 90 SER OG : rot 80:sc= 0.735 USER MOD Single : A1001 MET CE :methyl 177:sc= -0.49 (180deg=-0.511) USER MOD Single : A1002 THR OG1 : rot 180:sc= 0 USER MOD Single : A1003 THR OG1 : rot 180:sc= 0 USER MOD Single : A1006 THR OG1 : rot -76:sc= 0.65 USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1019 MET CE :methyl -158:sc= -2.63! (180deg=-3.53!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 2.739 -5.255 23.540 1.00 4.10 N ATOM 21 CA THR A 2 1.801 -4.366 22.825 1.00 23.42 C ATOM 22 C THR A 2 2.400 -3.783 21.526 1.00 23.33 C ATOM 23 O THR A 2 1.770 -3.874 20.474 1.00 23.32 O ATOM 24 CB THR A 2 1.296 -3.200 23.740 1.00 41.41 C ATOM 25 OG1 THR A 2 2.412 -2.495 24.302 1.00 12.12 O ATOM 26 CG2 THR A 2 0.375 -3.705 24.871 1.00 4.55 C ATOM 0 HA THR A 2 0.954 -4.995 22.550 1.00 23.42 H new ATOM 0 HB THR A 2 0.712 -2.526 23.113 1.00 41.41 H new ATOM 0 HG1 THR A 2 3.190 -3.090 24.338 1.00 12.12 H new ATOM 0 HG21 THR A 2 0.050 -2.861 25.479 1.00 4.55 H new ATOM 0 HG22 THR A 2 -0.496 -4.198 24.438 1.00 4.55 H new ATOM 0 HG23 THR A 2 0.920 -4.413 25.495 1.00 4.55 H new ATOM 34 N SER A 3 3.616 -3.199 21.614 1.00 63.13 N ATOM 35 CA SER A 3 4.303 -2.579 20.458 1.00 30.34 C ATOM 36 C SER A 3 4.632 -3.622 19.366 1.00 4.42 C ATOM 37 O SER A 3 4.535 -3.331 18.176 1.00 24.23 O ATOM 38 CB SER A 3 5.599 -1.882 20.931 1.00 11.31 C ATOM 39 OG SER A 3 5.347 -0.977 21.998 1.00 20.32 O ATOM 0 H SER A 3 4.147 -3.144 22.483 1.00 63.13 H new ATOM 0 HA SER A 3 3.629 -1.842 20.022 1.00 30.34 H new ATOM 0 HB2 SER A 3 6.320 -2.633 21.253 1.00 11.31 H new ATOM 0 HB3 SER A 3 6.049 -1.345 20.096 1.00 11.31 H new ATOM 0 HG SER A 3 6.187 -0.555 22.274 1.00 20.32 H new ATOM 45 N THR A 4 5.001 -4.837 19.811 1.00 35.34 N ATOM 46 CA THR A 4 5.331 -5.969 18.937 1.00 62.04 C ATOM 47 C THR A 4 4.105 -6.408 18.107 1.00 64.42 C ATOM 48 O THR A 4 4.170 -6.427 16.870 1.00 52.33 O ATOM 49 CB THR A 4 5.874 -7.157 19.795 1.00 63.53 C ATOM 50 OG1 THR A 4 7.095 -6.761 20.447 1.00 70.43 O ATOM 51 CG2 THR A 4 6.118 -8.431 18.971 1.00 10.20 C ATOM 0 H THR A 4 5.078 -5.059 20.803 1.00 35.34 H new ATOM 0 HA THR A 4 6.105 -5.654 18.237 1.00 62.04 H new ATOM 0 HB THR A 4 5.107 -7.397 20.531 1.00 63.53 H new ATOM 0 HG1 THR A 4 7.434 -7.506 20.986 1.00 70.43 H new ATOM 0 HG21 THR A 4 6.494 -9.219 19.623 1.00 10.20 H new ATOM 0 HG22 THR A 4 5.182 -8.754 18.514 1.00 10.20 H new ATOM 0 HG23 THR A 4 6.851 -8.225 18.191 1.00 10.20 H new ATOM 59 N VAL A 5 2.991 -6.724 18.803 1.00 41.53 N ATOM 60 CA VAL A 5 1.726 -7.127 18.161 1.00 11.21 C ATOM 61 C VAL A 5 1.249 -6.028 17.199 1.00 34.03 C ATOM 62 O VAL A 5 0.995 -6.298 16.039 1.00 22.02 O ATOM 63 CB VAL A 5 0.613 -7.436 19.233 1.00 33.11 C ATOM 64 CG1 VAL A 5 -0.760 -7.718 18.579 1.00 4.44 C ATOM 65 CG2 VAL A 5 1.033 -8.613 20.144 1.00 21.13 C ATOM 0 H VAL A 5 2.946 -6.706 19.822 1.00 41.53 H new ATOM 0 HA VAL A 5 1.909 -8.041 17.596 1.00 11.21 H new ATOM 0 HB VAL A 5 0.505 -6.542 19.848 1.00 33.11 H new ATOM 0 HG11 VAL A 5 -1.497 -7.926 19.355 1.00 4.44 H new ATOM 0 HG12 VAL A 5 -1.075 -6.847 18.004 1.00 4.44 H new ATOM 0 HG13 VAL A 5 -0.677 -8.580 17.917 1.00 4.44 H new ATOM 0 HG21 VAL A 5 0.248 -8.806 20.875 1.00 21.13 H new ATOM 0 HG22 VAL A 5 1.191 -9.505 19.537 1.00 21.13 H new ATOM 0 HG23 VAL A 5 1.957 -8.359 20.663 1.00 21.13 H new ATOM 75 N GLU A 6 1.232 -4.783 17.694 1.00 34.33 N ATOM 76 CA GLU A 6 0.796 -3.596 16.938 1.00 22.40 C ATOM 77 C GLU A 6 1.557 -3.463 15.593 1.00 42.03 C ATOM 78 O GLU A 6 0.946 -3.358 14.525 1.00 2.23 O ATOM 79 CB GLU A 6 1.025 -2.339 17.823 1.00 32.15 C ATOM 80 CG GLU A 6 0.560 -0.996 17.231 1.00 53.14 C ATOM 81 CD GLU A 6 -0.967 -0.860 17.107 1.00 35.02 C ATOM 82 OE1 GLU A 6 -1.541 -1.302 16.089 1.00 51.33 O ATOM 83 OE2 GLU A 6 -1.602 -0.322 18.036 1.00 23.00 O ATOM 0 H GLU A 6 1.525 -4.566 18.647 1.00 34.33 H new ATOM 0 HA GLU A 6 -0.262 -3.697 16.694 1.00 22.40 H new ATOM 0 HB2 GLU A 6 0.512 -2.491 18.773 1.00 32.15 H new ATOM 0 HB3 GLU A 6 2.090 -2.265 18.044 1.00 32.15 H new ATOM 0 HG2 GLU A 6 0.937 -0.186 17.855 1.00 53.14 H new ATOM 0 HG3 GLU A 6 1.006 -0.872 16.244 1.00 53.14 H new ATOM 90 N PHE A 7 2.894 -3.543 15.673 1.00 41.15 N ATOM 91 CA PHE A 7 3.797 -3.323 14.531 1.00 61.32 C ATOM 92 C PHE A 7 3.657 -4.456 13.487 1.00 60.03 C ATOM 93 O PHE A 7 3.347 -4.191 12.319 1.00 13.14 O ATOM 94 CB PHE A 7 5.254 -3.215 15.055 1.00 51.00 C ATOM 95 CG PHE A 7 6.267 -2.653 14.060 1.00 42.20 C ATOM 96 CD1 PHE A 7 7.334 -3.422 13.590 1.00 22.52 C ATOM 97 CD2 PHE A 7 6.160 -1.332 13.619 1.00 12.53 C ATOM 98 CE1 PHE A 7 8.258 -2.886 12.716 1.00 43.15 C ATOM 99 CE2 PHE A 7 7.084 -0.804 12.742 1.00 53.51 C ATOM 100 CZ PHE A 7 8.133 -1.576 12.293 1.00 24.32 C ATOM 0 H PHE A 7 3.384 -3.764 16.540 1.00 41.15 H new ATOM 0 HA PHE A 7 3.528 -2.393 14.029 1.00 61.32 H new ATOM 0 HB2 PHE A 7 5.257 -2.586 15.945 1.00 51.00 H new ATOM 0 HB3 PHE A 7 5.585 -4.206 15.365 1.00 51.00 H new ATOM 0 HD1 PHE A 7 7.437 -4.447 13.914 1.00 22.52 H new ATOM 0 HD2 PHE A 7 5.344 -0.717 13.969 1.00 12.53 H new ATOM 0 HE1 PHE A 7 9.080 -3.491 12.362 1.00 43.15 H new ATOM 0 HE2 PHE A 7 6.985 0.218 12.406 1.00 53.51 H new ATOM 0 HZ PHE A 7 8.858 -1.158 11.610 1.00 24.32 H new ATOM 110 N ILE A 8 3.839 -5.716 13.950 1.00 12.32 N ATOM 111 CA ILE A 8 3.779 -6.927 13.099 1.00 54.13 C ATOM 112 C ILE A 8 2.392 -7.084 12.447 1.00 3.54 C ATOM 113 O ILE A 8 2.299 -7.405 11.266 1.00 14.54 O ATOM 114 CB ILE A 8 4.117 -8.227 13.931 1.00 22.41 C ATOM 115 CG1 ILE A 8 5.558 -8.153 14.517 1.00 42.44 C ATOM 116 CG2 ILE A 8 3.937 -9.523 13.096 1.00 31.10 C ATOM 117 CD1 ILE A 8 5.920 -9.310 15.435 1.00 43.34 C ATOM 0 H ILE A 8 4.033 -5.921 14.930 1.00 12.32 H new ATOM 0 HA ILE A 8 4.526 -6.803 12.315 1.00 54.13 H new ATOM 0 HB ILE A 8 3.404 -8.269 14.755 1.00 22.41 H new ATOM 0 HG12 ILE A 8 6.271 -8.121 13.693 1.00 42.44 H new ATOM 0 HG13 ILE A 8 5.666 -7.219 15.069 1.00 42.44 H new ATOM 0 HG21 ILE A 8 4.181 -10.389 13.711 1.00 31.10 H new ATOM 0 HG22 ILE A 8 2.903 -9.598 12.758 1.00 31.10 H new ATOM 0 HG23 ILE A 8 4.600 -9.494 12.231 1.00 31.10 H new ATOM 0 HD11 ILE A 8 6.939 -9.181 15.799 1.00 43.34 H new ATOM 0 HD12 ILE A 8 5.233 -9.332 16.281 1.00 43.34 H new ATOM 0 HD13 ILE A 8 5.848 -10.248 14.884 1.00 43.34 H new ATOM 129 N ASN A 9 1.323 -6.834 13.232 1.00 32.23 N ATOM 130 CA ASN A 9 -0.069 -7.049 12.782 1.00 51.52 C ATOM 131 C ASN A 9 -0.508 -5.961 11.798 1.00 55.44 C ATOM 132 O ASN A 9 -1.284 -6.249 10.885 1.00 2.31 O ATOM 133 CB ASN A 9 -1.064 -7.130 13.973 1.00 0.31 C ATOM 134 CG ASN A 9 -0.938 -8.404 14.830 1.00 73.11 C ATOM 135 OD1 ASN A 9 -1.933 -8.899 15.359 1.00 43.03 O ATOM 136 ND2 ASN A 9 0.273 -8.928 15.014 1.00 34.14 N ATOM 0 H ASN A 9 1.398 -6.481 14.186 1.00 32.23 H new ATOM 0 HA ASN A 9 -0.086 -8.011 12.270 1.00 51.52 H new ATOM 0 HB2 ASN A 9 -0.914 -6.261 14.614 1.00 0.31 H new ATOM 0 HB3 ASN A 9 -2.081 -7.069 13.585 1.00 0.31 H new ATOM 0 HD21 ASN A 9 0.387 -9.754 15.602 1.00 34.14 H new ATOM 0 HD22 ASN A 9 1.086 -8.503 14.567 1.00 34.14 H new ATOM 143 N ARG A 10 -0.030 -4.711 11.980 1.00 74.55 N ATOM 144 CA ARG A 10 -0.286 -3.642 10.991 1.00 11.11 C ATOM 145 C ARG A 10 0.431 -3.957 9.680 1.00 74.52 C ATOM 146 O ARG A 10 -0.183 -3.882 8.634 1.00 23.54 O ATOM 147 CB ARG A 10 0.112 -2.241 11.511 1.00 24.14 C ATOM 148 CG ARG A 10 -0.873 -1.651 12.540 1.00 53.32 C ATOM 149 CD ARG A 10 -0.391 -0.308 13.084 1.00 71.22 C ATOM 150 NE ARG A 10 0.932 -0.431 13.711 1.00 22.34 N ATOM 151 CZ ARG A 10 1.576 0.546 14.338 1.00 52.43 C ATOM 152 NH1 ARG A 10 1.033 1.758 14.450 1.00 23.14 N ATOM 153 NH2 ARG A 10 2.760 0.289 14.878 1.00 70.31 N ATOM 0 H ARG A 10 0.524 -4.421 12.786 1.00 74.55 H new ATOM 0 HA ARG A 10 -1.361 -3.614 10.816 1.00 11.11 H new ATOM 0 HB2 ARG A 10 1.102 -2.300 11.963 1.00 24.14 H new ATOM 0 HB3 ARG A 10 0.189 -1.559 10.664 1.00 24.14 H new ATOM 0 HG2 ARG A 10 -1.851 -1.525 12.075 1.00 53.32 H new ATOM 0 HG3 ARG A 10 -1.000 -2.352 13.365 1.00 53.32 H new ATOM 0 HD2 ARG A 10 -0.346 0.420 12.274 1.00 71.22 H new ATOM 0 HD3 ARG A 10 -1.108 0.070 13.813 1.00 71.22 H new ATOM 0 HE ARG A 10 1.393 -1.340 13.661 1.00 22.34 H new ATOM 0 HH11 ARG A 10 0.112 1.943 14.052 1.00 23.14 H new ATOM 0 HH12 ARG A 10 1.538 2.500 14.934 1.00 23.14 H new ATOM 0 HH21 ARG A 10 3.161 -0.646 14.807 1.00 70.31 H new ATOM 0 HH22 ARG A 10 3.270 1.027 15.364 1.00 70.31 H new ATOM 167 N TRP A 11 1.715 -4.358 9.753 1.00 61.24 N ATOM 168 CA TRP A 11 2.484 -4.746 8.555 1.00 62.34 C ATOM 169 C TRP A 11 1.892 -6.002 7.879 1.00 24.34 C ATOM 170 O TRP A 11 1.937 -6.116 6.653 1.00 50.02 O ATOM 171 CB TRP A 11 3.984 -4.956 8.890 1.00 41.45 C ATOM 172 CG TRP A 11 4.766 -3.669 9.001 1.00 14.42 C ATOM 173 CD1 TRP A 11 5.379 -3.168 10.106 1.00 72.20 C ATOM 174 CD2 TRP A 11 5.007 -2.717 7.948 1.00 61.31 C ATOM 175 NE1 TRP A 11 6.000 -1.985 9.804 1.00 31.13 N ATOM 176 CE2 TRP A 11 5.780 -1.680 8.494 1.00 71.45 C ATOM 177 CE3 TRP A 11 4.643 -2.642 6.599 1.00 72.33 C ATOM 178 CZ2 TRP A 11 6.202 -0.582 7.749 1.00 43.15 C ATOM 179 CZ3 TRP A 11 5.057 -1.553 5.858 1.00 75.02 C ATOM 180 CH2 TRP A 11 5.830 -0.535 6.436 1.00 33.30 C ATOM 0 H TRP A 11 2.240 -4.422 10.625 1.00 61.24 H new ATOM 0 HA TRP A 11 2.409 -3.922 7.846 1.00 62.34 H new ATOM 0 HB2 TRP A 11 4.064 -5.502 9.830 1.00 41.45 H new ATOM 0 HB3 TRP A 11 4.436 -5.580 8.119 1.00 41.45 H new ATOM 0 HD1 TRP A 11 5.377 -3.635 11.080 1.00 72.20 H new ATOM 0 HE1 TRP A 11 6.543 -1.420 10.458 1.00 31.13 H new ATOM 0 HE3 TRP A 11 4.049 -3.422 6.146 1.00 72.33 H new ATOM 0 HZ2 TRP A 11 6.800 0.201 8.192 1.00 43.15 H new ATOM 0 HZ3 TRP A 11 4.781 -1.484 4.816 1.00 75.02 H new ATOM 0 HH2 TRP A 11 6.138 0.304 5.829 1.00 33.30 H new ATOM 191 N GLN A 12 1.328 -6.921 8.687 1.00 70.33 N ATOM 192 CA GLN A 12 0.642 -8.133 8.193 1.00 33.42 C ATOM 193 C GLN A 12 -0.631 -7.724 7.454 1.00 53.14 C ATOM 194 O GLN A 12 -0.944 -8.268 6.400 1.00 4.14 O ATOM 195 CB GLN A 12 0.328 -9.107 9.376 1.00 24.05 C ATOM 196 CG GLN A 12 -0.330 -10.473 8.985 1.00 71.00 C ATOM 197 CD GLN A 12 -1.859 -10.537 9.156 1.00 54.53 C ATOM 198 OE1 GLN A 12 -2.563 -9.529 9.078 1.00 23.23 O ATOM 199 NE2 GLN A 12 -2.390 -11.728 9.368 1.00 65.33 N ATOM 0 H GLN A 12 1.335 -6.844 9.704 1.00 70.33 H new ATOM 0 HA GLN A 12 1.293 -8.665 7.499 1.00 33.42 H new ATOM 0 HB2 GLN A 12 1.257 -9.313 9.907 1.00 24.05 H new ATOM 0 HB3 GLN A 12 -0.333 -8.595 10.076 1.00 24.05 H new ATOM 0 HG2 GLN A 12 -0.087 -10.690 7.945 1.00 71.00 H new ATOM 0 HG3 GLN A 12 0.120 -11.261 9.589 1.00 71.00 H new ATOM 0 HE21 GLN A 12 -1.790 -12.550 9.429 1.00 65.33 H new ATOM 0 HE22 GLN A 12 -3.400 -11.825 9.470 1.00 65.33 H new ATOM 208 N ARG A 13 -1.330 -6.725 8.021 1.00 60.31 N ATOM 209 CA ARG A 13 -2.565 -6.173 7.455 1.00 40.34 C ATOM 210 C ARG A 13 -2.272 -5.462 6.119 1.00 41.53 C ATOM 211 O ARG A 13 -3.000 -5.652 5.160 1.00 52.30 O ATOM 212 CB ARG A 13 -3.231 -5.203 8.473 1.00 35.34 C ATOM 213 CG ARG A 13 -4.571 -4.581 8.011 1.00 12.12 C ATOM 214 CD ARG A 13 -5.641 -5.642 7.677 1.00 33.24 C ATOM 215 NE ARG A 13 -6.871 -5.037 7.144 1.00 54.45 N ATOM 216 CZ ARG A 13 -7.955 -5.716 6.740 1.00 73.54 C ATOM 217 NH1 ARG A 13 -7.992 -7.048 6.796 1.00 54.34 N ATOM 218 NH2 ARG A 13 -8.998 -5.049 6.265 1.00 54.34 N ATOM 0 H ARG A 13 -1.048 -6.277 8.893 1.00 60.31 H new ATOM 0 HA ARG A 13 -3.260 -6.988 7.255 1.00 40.34 H new ATOM 0 HB2 ARG A 13 -3.401 -5.741 9.405 1.00 35.34 H new ATOM 0 HB3 ARG A 13 -2.531 -4.397 8.693 1.00 35.34 H new ATOM 0 HG2 ARG A 13 -4.950 -3.924 8.794 1.00 12.12 H new ATOM 0 HG3 ARG A 13 -4.394 -3.961 7.132 1.00 12.12 H new ATOM 0 HD2 ARG A 13 -5.238 -6.346 6.949 1.00 33.24 H new ATOM 0 HD3 ARG A 13 -5.878 -6.213 8.575 1.00 33.24 H new ATOM 0 HE ARG A 13 -6.902 -4.020 7.076 1.00 54.45 H new ATOM 0 HH11 ARG A 13 -7.188 -7.566 7.150 1.00 54.34 H new ATOM 0 HH12 ARG A 13 -8.824 -7.549 6.485 1.00 54.34 H new ATOM 0 HH21 ARG A 13 -8.970 -4.031 6.210 1.00 54.34 H new ATOM 0 HH22 ARG A 13 -9.828 -5.554 5.955 1.00 54.34 H new ATOM 232 N ILE A 14 -1.169 -4.688 6.074 1.00 42.32 N ATOM 233 CA ILE A 14 -0.736 -3.940 4.871 1.00 74.03 C ATOM 234 C ILE A 14 -0.260 -4.921 3.779 1.00 42.44 C ATOM 235 O ILE A 14 -0.464 -4.680 2.591 1.00 12.21 O ATOM 236 CB ILE A 14 0.414 -2.913 5.228 1.00 23.11 C ATOM 237 CG1 ILE A 14 -0.062 -1.896 6.302 1.00 62.45 C ATOM 238 CG2 ILE A 14 0.924 -2.155 3.985 1.00 24.42 C ATOM 239 CD1 ILE A 14 1.029 -0.985 6.833 1.00 13.54 C ATOM 0 H ILE A 14 -0.549 -4.562 6.874 1.00 42.32 H new ATOM 0 HA ILE A 14 -1.588 -3.376 4.492 1.00 74.03 H new ATOM 0 HB ILE A 14 1.241 -3.498 5.629 1.00 23.11 H new ATOM 0 HG12 ILE A 14 -0.855 -1.282 5.876 1.00 62.45 H new ATOM 0 HG13 ILE A 14 -0.497 -2.445 7.137 1.00 62.45 H new ATOM 0 HG21 ILE A 14 1.712 -1.462 4.279 1.00 24.42 H new ATOM 0 HG22 ILE A 14 1.319 -2.868 3.261 1.00 24.42 H new ATOM 0 HG23 ILE A 14 0.101 -1.599 3.535 1.00 24.42 H new ATOM 0 HD11 ILE A 14 0.608 -0.309 7.577 1.00 13.54 H new ATOM 0 HD12 ILE A 14 1.814 -1.586 7.292 1.00 13.54 H new ATOM 0 HD13 ILE A 14 1.450 -0.405 6.012 1.00 13.54 H new ATOM 251 N ALA A 15 0.352 -6.040 4.213 1.00 53.20 N ATOM 252 CA ALA A 15 0.806 -7.113 3.315 1.00 21.45 C ATOM 253 C ALA A 15 -0.396 -7.775 2.624 1.00 25.20 C ATOM 254 O ALA A 15 -0.447 -7.848 1.389 1.00 31.42 O ATOM 255 CB ALA A 15 1.622 -8.150 4.098 1.00 23.34 C ATOM 0 H ALA A 15 0.544 -6.223 5.198 1.00 53.20 H new ATOM 0 HA ALA A 15 1.447 -6.681 2.546 1.00 21.45 H new ATOM 0 HB1 ALA A 15 1.952 -8.939 3.422 1.00 23.34 H new ATOM 0 HB2 ALA A 15 2.491 -7.667 4.544 1.00 23.34 H new ATOM 0 HB3 ALA A 15 1.003 -8.582 4.884 1.00 23.34 H new ATOM 261 N LEU A 16 -1.382 -8.193 3.455 1.00 43.32 N ATOM 262 CA LEU A 16 -2.627 -8.829 2.991 1.00 25.01 C ATOM 263 C LEU A 16 -3.417 -7.878 2.080 1.00 5.15 C ATOM 264 O LEU A 16 -3.892 -8.289 1.024 1.00 44.02 O ATOM 265 CB LEU A 16 -3.522 -9.263 4.189 1.00 13.12 C ATOM 266 CG LEU A 16 -2.958 -10.373 5.137 1.00 25.01 C ATOM 267 CD1 LEU A 16 -3.990 -10.739 6.226 1.00 64.11 C ATOM 268 CD2 LEU A 16 -2.497 -11.620 4.350 1.00 32.33 C ATOM 0 H LEU A 16 -1.330 -8.095 4.469 1.00 43.32 H new ATOM 0 HA LEU A 16 -2.346 -9.718 2.426 1.00 25.01 H new ATOM 0 HB2 LEU A 16 -3.732 -8.379 4.791 1.00 13.12 H new ATOM 0 HB3 LEU A 16 -4.475 -9.611 3.790 1.00 13.12 H new ATOM 0 HG LEU A 16 -2.075 -9.968 5.633 1.00 25.01 H new ATOM 0 HD11 LEU A 16 -3.577 -11.512 6.874 1.00 64.11 H new ATOM 0 HD12 LEU A 16 -4.222 -9.855 6.819 1.00 64.11 H new ATOM 0 HD13 LEU A 16 -4.901 -11.109 5.755 1.00 64.11 H new ATOM 0 HD21 LEU A 16 -2.112 -12.367 5.044 1.00 32.33 H new ATOM 0 HD22 LEU A 16 -3.341 -12.036 3.801 1.00 32.33 H new ATOM 0 HD23 LEU A 16 -1.712 -11.338 3.649 1.00 32.33 H new ATOM 280 N LEU A 17 -3.519 -6.600 2.498 1.00 5.33 N ATOM 281 CA LEU A 17 -4.234 -5.559 1.742 1.00 55.24 C ATOM 282 C LEU A 17 -3.576 -5.357 0.365 1.00 12.41 C ATOM 283 O LEU A 17 -4.258 -5.464 -0.630 1.00 55.20 O ATOM 284 CB LEU A 17 -4.308 -4.216 2.537 1.00 34.31 C ATOM 285 CG LEU A 17 -5.312 -4.172 3.743 1.00 24.44 C ATOM 286 CD1 LEU A 17 -5.136 -2.883 4.577 1.00 42.15 C ATOM 287 CD2 LEU A 17 -6.770 -4.324 3.261 1.00 24.12 C ATOM 0 H LEU A 17 -3.107 -6.264 3.369 1.00 5.33 H new ATOM 0 HA LEU A 17 -5.260 -5.895 1.590 1.00 55.24 H new ATOM 0 HB2 LEU A 17 -3.311 -3.987 2.914 1.00 34.31 H new ATOM 0 HB3 LEU A 17 -4.576 -3.421 1.841 1.00 34.31 H new ATOM 0 HG LEU A 17 -5.083 -5.019 4.390 1.00 24.44 H new ATOM 0 HD11 LEU A 17 -5.846 -2.885 5.404 1.00 42.15 H new ATOM 0 HD12 LEU A 17 -4.121 -2.840 4.971 1.00 42.15 H new ATOM 0 HD13 LEU A 17 -5.317 -2.013 3.945 1.00 42.15 H new ATOM 0 HD21 LEU A 17 -7.442 -4.290 4.118 1.00 24.12 H new ATOM 0 HD22 LEU A 17 -7.013 -3.512 2.576 1.00 24.12 H new ATOM 0 HD23 LEU A 17 -6.886 -5.278 2.747 1.00 24.12 H new ATOM 299 N SER A 18 -2.240 -5.165 0.331 1.00 73.40 N ATOM 300 CA SER A 18 -1.496 -4.852 -0.915 1.00 44.41 C ATOM 301 C SER A 18 -1.577 -5.993 -1.943 1.00 11.23 C ATOM 302 O SER A 18 -1.786 -5.738 -3.137 1.00 42.42 O ATOM 303 CB SER A 18 -0.015 -4.544 -0.605 1.00 54.43 C ATOM 304 OG SER A 18 0.641 -5.650 -0.008 1.00 52.52 O ATOM 0 H SER A 18 -1.647 -5.221 1.159 1.00 73.40 H new ATOM 0 HA SER A 18 -1.970 -3.972 -1.349 1.00 44.41 H new ATOM 0 HB2 SER A 18 0.500 -4.271 -1.526 1.00 54.43 H new ATOM 0 HB3 SER A 18 0.045 -3.683 0.061 1.00 54.43 H new ATOM 0 HG SER A 18 -0.021 -6.225 0.430 1.00 52.52 H new ATOM 310 N GLN A 19 -1.410 -7.247 -1.468 1.00 33.23 N ATOM 311 CA GLN A 19 -1.436 -8.426 -2.349 1.00 14.43 C ATOM 312 C GLN A 19 -2.864 -8.704 -2.868 1.00 53.24 C ATOM 313 O GLN A 19 -3.045 -9.031 -4.058 1.00 24.00 O ATOM 314 CB GLN A 19 -0.814 -9.661 -1.645 1.00 60.04 C ATOM 315 CG GLN A 19 -1.584 -10.194 -0.431 1.00 64.51 C ATOM 316 CD GLN A 19 -0.887 -11.373 0.246 1.00 21.41 C ATOM 317 OE1 GLN A 19 -0.081 -11.202 1.162 1.00 61.14 O ATOM 318 NE2 GLN A 19 -1.185 -12.580 -0.212 1.00 3.15 N ATOM 0 H GLN A 19 -1.257 -7.464 -0.483 1.00 33.23 H new ATOM 0 HA GLN A 19 -0.819 -8.213 -3.222 1.00 14.43 H new ATOM 0 HB2 GLN A 19 -0.723 -10.465 -2.376 1.00 60.04 H new ATOM 0 HB3 GLN A 19 0.196 -9.404 -1.327 1.00 60.04 H new ATOM 0 HG2 GLN A 19 -1.712 -9.390 0.293 1.00 64.51 H new ATOM 0 HG3 GLN A 19 -2.581 -10.501 -0.746 1.00 64.51 H new ATOM 0 HE21 GLN A 19 -1.857 -12.686 -0.972 1.00 3.15 H new ATOM 0 HE22 GLN A 19 -0.742 -13.404 0.195 1.00 3.15 H new ATOM 327 N SER A 20 -3.874 -8.509 -1.989 1.00 13.22 N ATOM 328 CA SER A 20 -5.292 -8.620 -2.366 1.00 23.31 C ATOM 329 C SER A 20 -5.655 -7.525 -3.381 1.00 43.33 C ATOM 330 O SER A 20 -6.332 -7.798 -4.356 1.00 52.05 O ATOM 331 CB SER A 20 -6.212 -8.520 -1.132 1.00 41.32 C ATOM 332 OG SER A 20 -5.972 -9.592 -0.229 1.00 64.43 O ATOM 0 H SER A 20 -3.725 -8.273 -1.008 1.00 13.22 H new ATOM 0 HA SER A 20 -5.442 -9.599 -2.820 1.00 23.31 H new ATOM 0 HB2 SER A 20 -6.045 -7.569 -0.626 1.00 41.32 H new ATOM 0 HB3 SER A 20 -7.255 -8.534 -1.449 1.00 41.32 H new ATOM 0 HG SER A 20 -5.216 -9.367 0.353 1.00 64.43 H new ATOM 338 N LEU A 21 -5.133 -6.302 -3.153 1.00 0.14 N ATOM 339 CA LEU A 21 -5.355 -5.138 -4.028 1.00 41.25 C ATOM 340 C LEU A 21 -4.723 -5.372 -5.401 1.00 14.13 C ATOM 341 O LEU A 21 -5.271 -4.936 -6.413 1.00 31.11 O ATOM 342 CB LEU A 21 -4.781 -3.843 -3.382 1.00 33.23 C ATOM 343 CG LEU A 21 -5.620 -3.216 -2.216 1.00 52.02 C ATOM 344 CD1 LEU A 21 -4.788 -2.199 -1.411 1.00 63.52 C ATOM 345 CD2 LEU A 21 -6.908 -2.568 -2.751 1.00 73.40 C ATOM 0 H LEU A 21 -4.541 -6.096 -2.349 1.00 0.14 H new ATOM 0 HA LEU A 21 -6.430 -5.010 -4.156 1.00 41.25 H new ATOM 0 HB2 LEU A 21 -3.782 -4.063 -3.005 1.00 33.23 H new ATOM 0 HB3 LEU A 21 -4.668 -3.092 -4.164 1.00 33.23 H new ATOM 0 HG LEU A 21 -5.902 -4.024 -1.541 1.00 52.02 H new ATOM 0 HD11 LEU A 21 -5.399 -1.782 -0.610 1.00 63.52 H new ATOM 0 HD12 LEU A 21 -3.919 -2.698 -0.983 1.00 63.52 H new ATOM 0 HD13 LEU A 21 -4.457 -1.396 -2.070 1.00 63.52 H new ATOM 0 HD21 LEU A 21 -7.472 -2.141 -1.922 1.00 73.40 H new ATOM 0 HD22 LEU A 21 -6.652 -1.781 -3.460 1.00 73.40 H new ATOM 0 HD23 LEU A 21 -7.515 -3.323 -3.251 1.00 73.40 H new ATOM 357 N LEU A 22 -3.572 -6.075 -5.435 1.00 73.22 N ATOM 358 CA LEU A 22 -2.923 -6.432 -6.701 1.00 35.43 C ATOM 359 C LEU A 22 -3.797 -7.435 -7.468 1.00 21.14 C ATOM 360 O LEU A 22 -3.931 -7.321 -8.686 1.00 14.31 O ATOM 361 CB LEU A 22 -1.499 -6.996 -6.494 1.00 11.54 C ATOM 362 CG LEU A 22 -0.738 -7.345 -7.821 1.00 3.54 C ATOM 363 CD1 LEU A 22 -0.605 -6.108 -8.737 1.00 62.32 C ATOM 364 CD2 LEU A 22 0.626 -7.993 -7.544 1.00 44.42 C ATOM 0 H LEU A 22 -3.080 -6.402 -4.603 1.00 73.22 H new ATOM 0 HA LEU A 22 -2.817 -5.519 -7.287 1.00 35.43 H new ATOM 0 HB2 LEU A 22 -0.912 -6.268 -5.934 1.00 11.54 H new ATOM 0 HB3 LEU A 22 -1.563 -7.894 -5.880 1.00 11.54 H new ATOM 0 HG LEU A 22 -1.339 -8.083 -8.353 1.00 3.54 H new ATOM 0 HD11 LEU A 22 -0.073 -6.385 -9.647 1.00 62.32 H new ATOM 0 HD12 LEU A 22 -1.597 -5.738 -8.995 1.00 62.32 H new ATOM 0 HD13 LEU A 22 -0.051 -5.327 -8.216 1.00 62.32 H new ATOM 0 HD21 LEU A 22 1.120 -8.219 -8.489 1.00 44.42 H new ATOM 0 HD22 LEU A 22 1.244 -7.306 -6.966 1.00 44.42 H new ATOM 0 HD23 LEU A 22 0.483 -8.915 -6.980 1.00 44.42 H new ATOM 376 N GLU A 23 -4.408 -8.392 -6.733 1.00 15.14 N ATOM 377 CA GLU A 23 -5.390 -9.330 -7.325 1.00 30.32 C ATOM 378 C GLU A 23 -6.575 -8.550 -7.940 1.00 51.23 C ATOM 379 O GLU A 23 -6.956 -8.798 -9.081 1.00 63.33 O ATOM 380 CB GLU A 23 -5.913 -10.344 -6.273 1.00 12.04 C ATOM 381 CG GLU A 23 -4.848 -11.272 -5.657 1.00 3.52 C ATOM 382 CD GLU A 23 -4.043 -12.074 -6.698 1.00 24.44 C ATOM 383 OE1 GLU A 23 -4.645 -12.900 -7.425 1.00 53.34 O ATOM 384 OE2 GLU A 23 -2.803 -11.904 -6.783 1.00 24.55 O ATOM 0 H GLU A 23 -4.241 -8.535 -5.737 1.00 15.14 H new ATOM 0 HA GLU A 23 -4.881 -9.889 -8.110 1.00 30.32 H new ATOM 0 HB2 GLU A 23 -6.395 -9.789 -5.468 1.00 12.04 H new ATOM 0 HB3 GLU A 23 -6.681 -10.961 -6.740 1.00 12.04 H new ATOM 0 HG2 GLU A 23 -4.159 -10.673 -5.062 1.00 3.52 H new ATOM 0 HG3 GLU A 23 -5.337 -11.968 -4.975 1.00 3.52 H new ATOM 391 N LEU A 24 -7.078 -7.562 -7.175 1.00 11.44 N ATOM 392 CA LEU A 24 -8.232 -6.723 -7.559 1.00 12.20 C ATOM 393 C LEU A 24 -7.923 -5.884 -8.815 1.00 24.41 C ATOM 394 O LEU A 24 -8.753 -5.765 -9.698 1.00 34.14 O ATOM 395 CB LEU A 24 -8.627 -5.787 -6.379 1.00 2.13 C ATOM 396 CG LEU A 24 -9.036 -6.498 -5.049 1.00 42.42 C ATOM 397 CD1 LEU A 24 -9.206 -5.495 -3.891 1.00 24.20 C ATOM 398 CD2 LEU A 24 -10.292 -7.362 -5.238 1.00 32.02 C ATOM 0 H LEU A 24 -6.691 -7.321 -6.263 1.00 11.44 H new ATOM 0 HA LEU A 24 -9.066 -7.385 -7.792 1.00 12.20 H new ATOM 0 HB2 LEU A 24 -7.787 -5.124 -6.170 1.00 2.13 H new ATOM 0 HB3 LEU A 24 -9.457 -5.158 -6.702 1.00 2.13 H new ATOM 0 HG LEU A 24 -8.218 -7.165 -4.775 1.00 42.42 H new ATOM 0 HD11 LEU A 24 -9.490 -6.030 -2.985 1.00 24.20 H new ATOM 0 HD12 LEU A 24 -8.265 -4.971 -3.723 1.00 24.20 H new ATOM 0 HD13 LEU A 24 -9.983 -4.774 -4.145 1.00 24.20 H new ATOM 0 HD21 LEU A 24 -10.549 -7.842 -4.294 1.00 32.02 H new ATOM 0 HD22 LEU A 24 -11.121 -6.733 -5.562 1.00 32.02 H new ATOM 0 HD23 LEU A 24 -10.099 -8.125 -5.992 1.00 32.02 H new ATOM 410 N ALA A 25 -6.705 -5.335 -8.883 1.00 53.44 N ATOM 411 CA ALA A 25 -6.274 -4.468 -9.995 1.00 72.24 C ATOM 412 C ALA A 25 -6.083 -5.272 -11.287 1.00 55.32 C ATOM 413 O ALA A 25 -6.567 -4.872 -12.348 1.00 33.02 O ATOM 414 CB ALA A 25 -4.990 -3.734 -9.618 1.00 11.22 C ATOM 0 H ALA A 25 -5.988 -5.477 -8.171 1.00 53.44 H new ATOM 0 HA ALA A 25 -7.058 -3.733 -10.180 1.00 72.24 H new ATOM 0 HB1 ALA A 25 -4.679 -3.096 -10.445 1.00 11.22 H new ATOM 0 HB2 ALA A 25 -5.167 -3.121 -8.734 1.00 11.22 H new ATOM 0 HB3 ALA A 25 -4.205 -4.460 -9.405 1.00 11.22 H new ATOM 420 N GLN A 26 -5.388 -6.417 -11.163 1.00 71.42 N ATOM 421 CA GLN A 26 -5.095 -7.321 -12.293 1.00 72.43 C ATOM 422 C GLN A 26 -6.381 -7.965 -12.847 1.00 73.44 C ATOM 423 O GLN A 26 -6.476 -8.232 -14.046 1.00 14.11 O ATOM 424 CB GLN A 26 -4.105 -8.423 -11.838 1.00 4.44 C ATOM 425 CG GLN A 26 -2.670 -7.942 -11.523 1.00 1.13 C ATOM 426 CD GLN A 26 -1.860 -7.530 -12.753 1.00 64.32 C ATOM 427 OE1 GLN A 26 -2.061 -8.042 -13.856 1.00 12.32 O ATOM 428 NE2 GLN A 26 -0.904 -6.627 -12.572 1.00 24.53 N ATOM 0 H GLN A 26 -5.012 -6.744 -10.273 1.00 71.42 H new ATOM 0 HA GLN A 26 -4.645 -6.731 -13.092 1.00 72.43 H new ATOM 0 HB2 GLN A 26 -4.510 -8.906 -10.949 1.00 4.44 H new ATOM 0 HB3 GLN A 26 -4.052 -9.183 -12.618 1.00 4.44 H new ATOM 0 HG2 GLN A 26 -2.725 -7.095 -10.839 1.00 1.13 H new ATOM 0 HG3 GLN A 26 -2.138 -8.739 -11.003 1.00 1.13 H new ATOM 0 HE21 GLN A 26 -0.757 -6.218 -11.649 1.00 24.53 H new ATOM 0 HE22 GLN A 26 -0.316 -6.342 -13.356 1.00 24.53 H new ATOM 437 N ARG A 27 -7.359 -8.213 -11.956 1.00 71.22 N ATOM 438 CA ARG A 27 -8.633 -8.870 -12.311 1.00 10.44 C ATOM 439 C ARG A 27 -9.672 -7.815 -12.752 1.00 34.11 C ATOM 440 O ARG A 27 -10.599 -8.121 -13.508 1.00 70.51 O ATOM 441 CB ARG A 27 -9.110 -9.694 -11.085 1.00 51.20 C ATOM 442 CG ARG A 27 -10.146 -10.809 -11.366 1.00 31.32 C ATOM 443 CD ARG A 27 -10.400 -11.671 -10.111 1.00 22.54 C ATOM 444 NE ARG A 27 -9.134 -12.192 -9.550 1.00 44.33 N ATOM 445 CZ ARG A 27 -8.860 -12.381 -8.246 1.00 74.24 C ATOM 446 NH1 ARG A 27 -9.760 -12.121 -7.303 1.00 71.11 N ATOM 447 NH2 ARG A 27 -7.657 -12.806 -7.888 1.00 64.43 N ATOM 0 H ARG A 27 -7.289 -7.964 -10.969 1.00 71.22 H new ATOM 0 HA ARG A 27 -8.500 -9.547 -13.155 1.00 10.44 H new ATOM 0 HB2 ARG A 27 -8.236 -10.149 -10.618 1.00 51.20 H new ATOM 0 HB3 ARG A 27 -9.538 -9.006 -10.356 1.00 51.20 H new ATOM 0 HG2 ARG A 27 -11.083 -10.362 -11.698 1.00 31.32 H new ATOM 0 HG3 ARG A 27 -9.790 -11.442 -12.178 1.00 31.32 H new ATOM 0 HD2 ARG A 27 -10.916 -11.076 -9.357 1.00 22.54 H new ATOM 0 HD3 ARG A 27 -11.057 -12.503 -10.366 1.00 22.54 H new ATOM 0 HE ARG A 27 -8.399 -12.431 -10.215 1.00 44.33 H new ATOM 0 HH11 ARG A 27 -10.682 -11.770 -7.561 1.00 71.11 H new ATOM 0 HH12 ARG A 27 -9.528 -12.272 -6.321 1.00 71.11 H new ATOM 0 HH21 ARG A 27 -6.948 -12.987 -8.598 1.00 64.43 H new ATOM 0 HH22 ARG A 27 -7.440 -12.952 -6.902 1.00 64.43 H new ATOM 461 N GLY A 28 -9.461 -6.555 -12.304 1.00 12.11 N ATOM 462 CA GLY A 28 -10.261 -5.397 -12.731 1.00 73.03 C ATOM 463 C GLY A 28 -11.342 -4.935 -11.748 1.00 33.14 C ATOM 464 O GLY A 28 -12.249 -4.207 -12.159 1.00 42.50 O ATOM 0 H GLY A 28 -8.728 -6.319 -11.635 1.00 12.11 H new ATOM 0 HA2 GLY A 28 -9.586 -4.562 -12.918 1.00 73.03 H new ATOM 0 HA3 GLY A 28 -10.739 -5.639 -13.680 1.00 73.03 H new ATOM 468 N GLU A 29 -11.275 -5.352 -10.462 1.00 30.42 N ATOM 469 CA GLU A 29 -12.157 -4.806 -9.392 1.00 34.21 C ATOM 470 C GLU A 29 -11.645 -3.420 -8.941 1.00 43.44 C ATOM 471 O GLU A 29 -10.911 -3.308 -7.951 1.00 3.41 O ATOM 472 CB GLU A 29 -12.272 -5.743 -8.151 1.00 34.02 C ATOM 473 CG GLU A 29 -12.926 -7.120 -8.384 1.00 54.10 C ATOM 474 CD GLU A 29 -11.998 -8.140 -9.058 1.00 4.13 C ATOM 475 OE1 GLU A 29 -11.225 -8.819 -8.345 1.00 14.10 O ATOM 476 OE2 GLU A 29 -12.051 -8.268 -10.295 1.00 31.11 O ATOM 0 H GLU A 29 -10.621 -6.064 -10.136 1.00 30.42 H new ATOM 0 HA GLU A 29 -13.154 -4.724 -9.826 1.00 34.21 H new ATOM 0 HB2 GLU A 29 -11.271 -5.905 -7.752 1.00 34.02 H new ATOM 0 HB3 GLU A 29 -12.841 -5.221 -7.382 1.00 34.02 H new ATOM 0 HG2 GLU A 29 -13.257 -7.521 -7.426 1.00 54.10 H new ATOM 0 HG3 GLU A 29 -13.816 -6.990 -9.000 1.00 54.10 H new ATOM 483 N TRP A 30 -12.033 -2.378 -9.688 1.00 15.52 N ATOM 484 CA TRP A 30 -11.665 -0.977 -9.389 1.00 31.32 C ATOM 485 C TRP A 30 -12.450 -0.468 -8.153 1.00 0.13 C ATOM 486 O TRP A 30 -11.947 0.355 -7.375 1.00 71.44 O ATOM 487 CB TRP A 30 -11.923 -0.071 -10.631 1.00 45.14 C ATOM 488 CG TRP A 30 -11.423 -0.664 -11.946 1.00 73.43 C ATOM 489 CD1 TRP A 30 -12.190 -1.120 -12.985 1.00 74.11 C ATOM 490 CD2 TRP A 30 -10.055 -0.900 -12.340 1.00 72.41 C ATOM 491 NE1 TRP A 30 -11.393 -1.623 -13.982 1.00 11.44 N ATOM 492 CE2 TRP A 30 -10.084 -1.500 -13.615 1.00 22.14 C ATOM 493 CE3 TRP A 30 -8.815 -0.660 -11.746 1.00 50.42 C ATOM 494 CZ2 TRP A 30 -8.924 -1.863 -14.295 1.00 12.04 C ATOM 495 CZ3 TRP A 30 -7.664 -1.023 -12.416 1.00 53.25 C ATOM 496 CH2 TRP A 30 -7.725 -1.624 -13.680 1.00 3.03 C ATOM 0 H TRP A 30 -12.613 -2.477 -10.521 1.00 15.52 H new ATOM 0 HA TRP A 30 -10.601 -0.933 -9.156 1.00 31.32 H new ATOM 0 HB2 TRP A 30 -12.993 0.119 -10.713 1.00 45.14 H new ATOM 0 HB3 TRP A 30 -11.440 0.893 -10.472 1.00 45.14 H new ATOM 0 HD1 TRP A 30 -13.269 -1.088 -13.015 1.00 74.11 H new ATOM 0 HE1 TRP A 30 -11.726 -2.025 -14.858 1.00 11.44 H new ATOM 0 HE3 TRP A 30 -8.757 -0.195 -10.773 1.00 50.42 H new ATOM 0 HZ2 TRP A 30 -8.969 -2.317 -15.274 1.00 12.04 H new ATOM 0 HZ3 TRP A 30 -6.702 -0.841 -11.959 1.00 53.25 H new ATOM 0 HH2 TRP A 30 -6.809 -1.904 -14.178 1.00 3.03 H new ATOM 507 N ASP A 31 -13.680 -1.000 -7.978 1.00 45.44 N ATOM 508 CA ASP A 31 -14.556 -0.681 -6.830 1.00 14.04 C ATOM 509 C ASP A 31 -13.932 -1.152 -5.507 1.00 25.23 C ATOM 510 O ASP A 31 -13.966 -0.436 -4.506 1.00 20.20 O ATOM 511 CB ASP A 31 -15.950 -1.341 -6.990 1.00 21.32 C ATOM 512 CG ASP A 31 -16.721 -0.861 -8.229 1.00 31.44 C ATOM 513 OD1 ASP A 31 -16.500 -1.413 -9.315 1.00 50.44 O ATOM 514 OD2 ASP A 31 -17.543 0.070 -8.120 1.00 73.14 O ATOM 0 H ASP A 31 -14.094 -1.665 -8.632 1.00 45.44 H new ATOM 0 HA ASP A 31 -14.670 0.403 -6.809 1.00 14.04 H new ATOM 0 HB2 ASP A 31 -15.826 -2.422 -7.046 1.00 21.32 H new ATOM 0 HB3 ASP A 31 -16.545 -1.134 -6.100 1.00 21.32 H new ATOM 519 N LEU A 32 -13.374 -2.383 -5.521 1.00 4.41 N ATOM 520 CA LEU A 32 -12.726 -2.976 -4.340 1.00 75.41 C ATOM 521 C LEU A 32 -11.326 -2.370 -4.107 1.00 71.23 C ATOM 522 O LEU A 32 -10.818 -2.415 -2.986 1.00 23.54 O ATOM 523 CB LEU A 32 -12.677 -4.524 -4.444 1.00 5.44 C ATOM 524 CG LEU A 32 -14.060 -5.259 -4.404 1.00 33.32 C ATOM 525 CD1 LEU A 32 -13.890 -6.794 -4.490 1.00 33.03 C ATOM 526 CD2 LEU A 32 -14.878 -4.857 -3.155 1.00 72.14 C ATOM 0 H LEU A 32 -13.362 -2.985 -6.345 1.00 4.41 H new ATOM 0 HA LEU A 32 -13.331 -2.731 -3.467 1.00 75.41 H new ATOM 0 HB2 LEU A 32 -12.173 -4.790 -5.373 1.00 5.44 H new ATOM 0 HB3 LEU A 32 -12.062 -4.904 -3.628 1.00 5.44 H new ATOM 0 HG LEU A 32 -14.621 -4.941 -5.283 1.00 33.32 H new ATOM 0 HD11 LEU A 32 -14.870 -7.271 -4.459 1.00 33.03 H new ATOM 0 HD12 LEU A 32 -13.389 -7.053 -5.423 1.00 33.03 H new ATOM 0 HD13 LEU A 32 -13.291 -7.141 -3.648 1.00 33.03 H new ATOM 0 HD21 LEU A 32 -15.831 -5.385 -3.159 1.00 72.14 H new ATOM 0 HD22 LEU A 32 -14.321 -5.120 -2.255 1.00 72.14 H new ATOM 0 HD23 LEU A 32 -15.059 -3.782 -3.169 1.00 72.14 H new ATOM 538 N LEU A 33 -10.715 -1.792 -5.164 1.00 10.25 N ATOM 539 CA LEU A 33 -9.510 -0.950 -4.998 1.00 12.13 C ATOM 540 C LEU A 33 -9.868 0.294 -4.173 1.00 5.12 C ATOM 541 O LEU A 33 -9.183 0.600 -3.206 1.00 64.14 O ATOM 542 CB LEU A 33 -8.893 -0.542 -6.362 1.00 52.44 C ATOM 543 CG LEU A 33 -8.189 -1.683 -7.156 1.00 62.25 C ATOM 544 CD1 LEU A 33 -7.699 -1.181 -8.514 1.00 75.41 C ATOM 545 CD2 LEU A 33 -7.027 -2.289 -6.354 1.00 3.11 C ATOM 0 H LEU A 33 -11.031 -1.891 -6.129 1.00 10.25 H new ATOM 0 HA LEU A 33 -8.756 -1.535 -4.472 1.00 12.13 H new ATOM 0 HB2 LEU A 33 -9.683 -0.124 -6.986 1.00 52.44 H new ATOM 0 HB3 LEU A 33 -8.169 0.254 -6.188 1.00 52.44 H new ATOM 0 HG LEU A 33 -8.926 -2.468 -7.325 1.00 62.25 H new ATOM 0 HD11 LEU A 33 -7.211 -1.996 -9.049 1.00 75.41 H new ATOM 0 HD12 LEU A 33 -8.547 -0.821 -9.096 1.00 75.41 H new ATOM 0 HD13 LEU A 33 -6.989 -0.367 -8.366 1.00 75.41 H new ATOM 0 HD21 LEU A 33 -6.558 -3.082 -6.936 1.00 3.11 H new ATOM 0 HD22 LEU A 33 -6.292 -1.514 -6.137 1.00 3.11 H new ATOM 0 HD23 LEU A 33 -7.406 -2.701 -5.419 1.00 3.11 H new ATOM 557 N LEU A 34 -10.987 0.959 -4.543 1.00 71.53 N ATOM 558 CA LEU A 34 -11.494 2.150 -3.817 1.00 51.31 C ATOM 559 C LEU A 34 -12.027 1.793 -2.409 1.00 2.55 C ATOM 560 O LEU A 34 -11.961 2.621 -1.491 1.00 51.14 O ATOM 561 CB LEU A 34 -12.598 2.861 -4.649 1.00 62.05 C ATOM 562 CG LEU A 34 -12.136 3.504 -5.997 1.00 31.32 C ATOM 563 CD1 LEU A 34 -13.327 4.112 -6.764 1.00 73.42 C ATOM 564 CD2 LEU A 34 -11.023 4.556 -5.771 1.00 42.14 C ATOM 0 H LEU A 34 -11.559 0.690 -5.344 1.00 71.53 H new ATOM 0 HA LEU A 34 -10.653 2.830 -3.682 1.00 51.31 H new ATOM 0 HB2 LEU A 34 -13.384 2.137 -4.866 1.00 62.05 H new ATOM 0 HB3 LEU A 34 -13.044 3.641 -4.032 1.00 62.05 H new ATOM 0 HG LEU A 34 -11.716 2.707 -6.611 1.00 31.32 H new ATOM 0 HD11 LEU A 34 -12.973 4.551 -7.697 1.00 73.42 H new ATOM 0 HD12 LEU A 34 -14.055 3.331 -6.984 1.00 73.42 H new ATOM 0 HD13 LEU A 34 -13.796 4.884 -6.154 1.00 73.42 H new ATOM 0 HD21 LEU A 34 -10.726 4.983 -6.729 1.00 42.14 H new ATOM 0 HD22 LEU A 34 -11.397 5.348 -5.122 1.00 42.14 H new ATOM 0 HD23 LEU A 34 -10.162 4.079 -5.303 1.00 42.14 H new ATOM 576 N GLN A 35 -12.537 0.559 -2.236 1.00 33.12 N ATOM 577 CA GLN A 35 -13.073 0.084 -0.942 1.00 62.43 C ATOM 578 C GLN A 35 -11.927 -0.097 0.070 1.00 42.31 C ATOM 579 O GLN A 35 -11.959 0.463 1.167 1.00 23.55 O ATOM 580 CB GLN A 35 -13.861 -1.244 -1.130 1.00 41.30 C ATOM 581 CG GLN A 35 -14.560 -1.783 0.145 1.00 30.03 C ATOM 582 CD GLN A 35 -15.636 -0.844 0.713 1.00 24.53 C ATOM 583 OE1 GLN A 35 -16.298 -0.102 -0.020 1.00 60.44 O ATOM 584 NE2 GLN A 35 -15.824 -0.871 2.027 1.00 44.40 N ATOM 0 H GLN A 35 -12.590 -0.134 -2.982 1.00 33.12 H new ATOM 0 HA GLN A 35 -13.764 0.832 -0.553 1.00 62.43 H new ATOM 0 HB2 GLN A 35 -14.615 -1.094 -1.903 1.00 41.30 H new ATOM 0 HB3 GLN A 35 -13.174 -2.006 -1.498 1.00 41.30 H new ATOM 0 HG2 GLN A 35 -15.017 -2.746 -0.083 1.00 30.03 H new ATOM 0 HG3 GLN A 35 -13.806 -1.961 0.912 1.00 30.03 H new ATOM 0 HE21 GLN A 35 -15.264 -1.493 2.610 1.00 44.40 H new ATOM 0 HE22 GLN A 35 -16.529 -0.270 2.454 1.00 44.40 H new ATOM 593 N GLN A 36 -10.898 -0.854 -0.335 1.00 14.21 N ATOM 594 CA GLN A 36 -9.716 -1.121 0.506 1.00 71.22 C ATOM 595 C GLN A 36 -8.720 0.067 0.473 1.00 54.13 C ATOM 596 O GLN A 36 -7.787 0.074 1.267 1.00 55.03 O ATOM 597 CB GLN A 36 -9.012 -2.463 0.110 1.00 33.25 C ATOM 598 CG GLN A 36 -9.601 -3.774 0.726 1.00 54.35 C ATOM 599 CD GLN A 36 -10.692 -4.508 -0.085 1.00 21.22 C ATOM 600 OE1 GLN A 36 -10.782 -5.735 -0.041 1.00 32.23 O ATOM 601 NE2 GLN A 36 -11.550 -3.801 -0.785 1.00 64.41 N ATOM 0 H GLN A 36 -10.858 -1.299 -1.252 1.00 14.21 H new ATOM 0 HA GLN A 36 -10.069 -1.231 1.531 1.00 71.22 H new ATOM 0 HB2 GLN A 36 -9.041 -2.555 -0.976 1.00 33.25 H new ATOM 0 HB3 GLN A 36 -7.963 -2.394 0.397 1.00 33.25 H new ATOM 0 HG2 GLN A 36 -8.778 -4.469 0.891 1.00 54.35 H new ATOM 0 HG3 GLN A 36 -10.014 -3.531 1.705 1.00 54.35 H new ATOM 0 HE21 GLN A 36 -11.468 -2.785 -0.816 1.00 64.41 H new ATOM 0 HE22 GLN A 36 -12.298 -4.268 -1.297 1.00 64.41 H new ATOM 610 N GLU A 37 -8.902 1.028 -0.476 1.00 54.22 N ATOM 611 CA GLU A 37 -8.070 2.264 -0.598 1.00 70.43 C ATOM 612 C GLU A 37 -7.892 2.969 0.752 1.00 12.32 C ATOM 613 O GLU A 37 -6.763 3.154 1.222 1.00 4.02 O ATOM 614 CB GLU A 37 -8.725 3.240 -1.632 1.00 13.44 C ATOM 615 CG GLU A 37 -7.959 4.564 -1.931 1.00 12.44 C ATOM 616 CD GLU A 37 -8.627 5.832 -1.364 1.00 13.31 C ATOM 617 OE1 GLU A 37 -9.376 6.509 -2.105 1.00 62.41 O ATOM 618 OE2 GLU A 37 -8.411 6.151 -0.178 1.00 31.14 O ATOM 0 H GLU A 37 -9.635 0.968 -1.183 1.00 54.22 H new ATOM 0 HA GLU A 37 -7.080 1.968 -0.946 1.00 70.43 H new ATOM 0 HB2 GLU A 37 -8.854 2.703 -2.572 1.00 13.44 H new ATOM 0 HB3 GLU A 37 -9.721 3.498 -1.272 1.00 13.44 H new ATOM 0 HG2 GLU A 37 -6.951 4.486 -1.522 1.00 12.44 H new ATOM 0 HG3 GLU A 37 -7.858 4.674 -3.011 1.00 12.44 H new ATOM 625 N VAL A 38 -9.032 3.307 1.380 1.00 52.22 N ATOM 626 CA VAL A 38 -9.067 4.016 2.668 1.00 25.21 C ATOM 627 C VAL A 38 -8.391 3.202 3.796 1.00 75.03 C ATOM 628 O VAL A 38 -7.678 3.766 4.626 1.00 35.33 O ATOM 629 CB VAL A 38 -10.540 4.407 3.058 1.00 0.11 C ATOM 630 CG1 VAL A 38 -11.128 5.419 2.045 1.00 72.34 C ATOM 631 CG2 VAL A 38 -11.453 3.162 3.184 1.00 54.51 C ATOM 0 H VAL A 38 -9.957 3.095 1.006 1.00 52.22 H new ATOM 0 HA VAL A 38 -8.492 4.934 2.545 1.00 25.21 H new ATOM 0 HB VAL A 38 -10.501 4.883 4.038 1.00 0.11 H new ATOM 0 HG11 VAL A 38 -12.147 5.674 2.336 1.00 72.34 H new ATOM 0 HG12 VAL A 38 -10.517 6.321 2.036 1.00 72.34 H new ATOM 0 HG13 VAL A 38 -11.135 4.975 1.050 1.00 72.34 H new ATOM 0 HG21 VAL A 38 -12.461 3.476 3.455 1.00 54.51 H new ATOM 0 HG22 VAL A 38 -11.481 2.633 2.231 1.00 54.51 H new ATOM 0 HG23 VAL A 38 -11.060 2.499 3.955 1.00 54.51 H new ATOM 641 N SER A 39 -8.578 1.868 3.759 1.00 4.20 N ATOM 642 CA SER A 39 -8.046 0.943 4.771 1.00 12.52 C ATOM 643 C SER A 39 -6.514 0.791 4.646 1.00 11.13 C ATOM 644 O SER A 39 -5.804 0.740 5.657 1.00 2.22 O ATOM 645 CB SER A 39 -8.730 -0.431 4.603 1.00 64.04 C ATOM 646 OG SER A 39 -10.141 -0.313 4.699 1.00 33.44 O ATOM 0 H SER A 39 -9.106 1.402 3.021 1.00 4.20 H new ATOM 0 HA SER A 39 -8.257 1.348 5.761 1.00 12.52 H new ATOM 0 HB2 SER A 39 -8.462 -0.858 3.637 1.00 64.04 H new ATOM 0 HB3 SER A 39 -8.366 -1.118 5.367 1.00 64.04 H new ATOM 0 HG SER A 39 -10.551 -1.196 4.588 1.00 33.44 H new ATOM 652 N TYR A 40 -6.032 0.751 3.392 1.00 14.33 N ATOM 653 CA TYR A 40 -4.619 0.516 3.060 1.00 41.33 C ATOM 654 C TYR A 40 -3.788 1.755 3.383 1.00 24.50 C ATOM 655 O TYR A 40 -2.725 1.654 4.005 1.00 10.41 O ATOM 656 CB TYR A 40 -4.487 0.144 1.564 1.00 43.31 C ATOM 657 CG TYR A 40 -3.061 -0.192 1.092 1.00 23.42 C ATOM 658 CD1 TYR A 40 -2.402 0.589 0.139 1.00 3.32 C ATOM 659 CD2 TYR A 40 -2.385 -1.311 1.580 1.00 75.42 C ATOM 660 CE1 TYR A 40 -1.142 0.263 -0.311 1.00 20.01 C ATOM 661 CE2 TYR A 40 -1.121 -1.627 1.139 1.00 35.12 C ATOM 662 CZ TYR A 40 -0.502 -0.843 0.190 1.00 63.03 C ATOM 663 OH TYR A 40 0.753 -1.175 -0.265 1.00 14.05 O ATOM 0 H TYR A 40 -6.622 0.883 2.571 1.00 14.33 H new ATOM 0 HA TYR A 40 -4.243 -0.313 3.660 1.00 41.33 H new ATOM 0 HB2 TYR A 40 -5.130 -0.713 1.362 1.00 43.31 H new ATOM 0 HB3 TYR A 40 -4.864 0.974 0.966 1.00 43.31 H new ATOM 0 HD1 TYR A 40 -2.892 1.468 -0.253 1.00 3.32 H new ATOM 0 HD2 TYR A 40 -2.863 -1.940 2.317 1.00 75.42 H new ATOM 0 HE1 TYR A 40 -0.658 0.876 -1.057 1.00 20.01 H new ATOM 0 HE2 TYR A 40 -0.612 -2.492 1.538 1.00 35.12 H new ATOM 0 HH TYR A 40 1.319 -1.431 0.493 1.00 14.05 H new ATOM 673 N LEU A 41 -4.299 2.923 2.968 1.00 31.04 N ATOM 674 CA LEU A 41 -3.641 4.200 3.227 1.00 4.24 C ATOM 675 C LEU A 41 -3.659 4.506 4.738 1.00 35.35 C ATOM 676 O LEU A 41 -2.647 4.936 5.268 1.00 52.05 O ATOM 677 CB LEU A 41 -4.287 5.341 2.388 1.00 53.22 C ATOM 678 CG LEU A 41 -4.195 5.188 0.830 1.00 20.24 C ATOM 679 CD1 LEU A 41 -4.804 6.409 0.103 1.00 4.04 C ATOM 680 CD2 LEU A 41 -2.738 4.925 0.376 1.00 72.12 C ATOM 0 H LEU A 41 -5.173 3.003 2.448 1.00 31.04 H new ATOM 0 HA LEU A 41 -2.599 4.133 2.914 1.00 4.24 H new ATOM 0 HB2 LEU A 41 -5.339 5.417 2.664 1.00 53.22 H new ATOM 0 HB3 LEU A 41 -3.815 6.283 2.669 1.00 53.22 H new ATOM 0 HG LEU A 41 -4.788 4.317 0.551 1.00 20.24 H new ATOM 0 HD11 LEU A 41 -4.723 6.268 -0.975 1.00 4.04 H new ATOM 0 HD12 LEU A 41 -5.854 6.510 0.378 1.00 4.04 H new ATOM 0 HD13 LEU A 41 -4.265 7.311 0.393 1.00 4.04 H new ATOM 0 HD21 LEU A 41 -2.708 4.824 -0.709 1.00 72.12 H new ATOM 0 HD22 LEU A 41 -2.106 5.759 0.680 1.00 72.12 H new ATOM 0 HD23 LEU A 41 -2.374 4.007 0.837 1.00 72.12 H new ATOM 692 N GLN A 42 -4.787 4.197 5.431 1.00 15.31 N ATOM 693 CA GLN A 42 -4.903 4.369 6.903 1.00 24.05 C ATOM 694 C GLN A 42 -3.860 3.516 7.653 1.00 11.21 C ATOM 695 O GLN A 42 -3.177 4.018 8.555 1.00 61.23 O ATOM 696 CB GLN A 42 -6.327 3.998 7.393 1.00 70.02 C ATOM 697 CG GLN A 42 -6.565 4.167 8.915 1.00 52.43 C ATOM 698 CD GLN A 42 -7.949 3.705 9.385 1.00 11.23 C ATOM 699 OE1 GLN A 42 -8.541 2.782 8.824 1.00 1.24 O ATOM 700 NE2 GLN A 42 -8.472 4.334 10.421 1.00 31.15 N ATOM 0 H GLN A 42 -5.630 3.827 4.992 1.00 15.31 H new ATOM 0 HA GLN A 42 -4.713 5.420 7.121 1.00 24.05 H new ATOM 0 HB2 GLN A 42 -7.050 4.613 6.858 1.00 70.02 H new ATOM 0 HB3 GLN A 42 -6.529 2.961 7.123 1.00 70.02 H new ATOM 0 HG2 GLN A 42 -5.803 3.606 9.456 1.00 52.43 H new ATOM 0 HG3 GLN A 42 -6.435 5.217 9.178 1.00 52.43 H new ATOM 0 HE21 GLN A 42 -7.960 5.095 10.867 1.00 31.15 H new ATOM 0 HE22 GLN A 42 -9.388 4.059 10.776 1.00 31.15 H new ATOM 709 N SER A 43 -3.731 2.231 7.252 1.00 25.12 N ATOM 710 CA SER A 43 -2.789 1.286 7.877 1.00 72.31 C ATOM 711 C SER A 43 -1.325 1.751 7.672 1.00 25.14 C ATOM 712 O SER A 43 -0.486 1.658 8.594 1.00 4.00 O ATOM 713 CB SER A 43 -3.036 -0.145 7.346 1.00 25.12 C ATOM 714 OG SER A 43 -2.958 -0.221 5.936 1.00 13.21 O ATOM 0 H SER A 43 -4.275 1.826 6.490 1.00 25.12 H new ATOM 0 HA SER A 43 -2.963 1.267 8.953 1.00 72.31 H new ATOM 0 HB2 SER A 43 -2.304 -0.823 7.784 1.00 25.12 H new ATOM 0 HB3 SER A 43 -4.019 -0.485 7.671 1.00 25.12 H new ATOM 0 HG SER A 43 -2.832 0.678 5.566 1.00 13.21 H new ATOM 720 N ILE A 44 -1.062 2.307 6.472 1.00 5.23 N ATOM 721 CA ILE A 44 0.209 2.973 6.127 1.00 3.34 C ATOM 722 C ILE A 44 0.504 4.149 7.099 1.00 53.41 C ATOM 723 O ILE A 44 1.613 4.233 7.649 1.00 72.01 O ATOM 724 CB ILE A 44 0.166 3.456 4.613 1.00 63.53 C ATOM 725 CG1 ILE A 44 0.360 2.234 3.646 1.00 24.54 C ATOM 726 CG2 ILE A 44 1.166 4.600 4.310 1.00 31.34 C ATOM 727 CD1 ILE A 44 0.213 2.544 2.160 1.00 72.32 C ATOM 0 H ILE A 44 -1.735 2.306 5.706 1.00 5.23 H new ATOM 0 HA ILE A 44 1.026 2.260 6.236 1.00 3.34 H new ATOM 0 HB ILE A 44 -0.822 3.882 4.438 1.00 63.53 H new ATOM 0 HG12 ILE A 44 1.351 1.813 3.815 1.00 24.54 H new ATOM 0 HG13 ILE A 44 -0.364 1.464 3.912 1.00 24.54 H new ATOM 0 HG21 ILE A 44 1.087 4.884 3.261 1.00 31.34 H new ATOM 0 HG22 ILE A 44 0.935 5.461 4.937 1.00 31.34 H new ATOM 0 HG23 ILE A 44 2.181 4.261 4.519 1.00 31.34 H new ATOM 0 HD11 ILE A 44 0.366 1.633 1.581 1.00 72.32 H new ATOM 0 HD12 ILE A 44 -0.787 2.933 1.967 1.00 72.32 H new ATOM 0 HD13 ILE A 44 0.955 3.288 1.868 1.00 72.32 H new ATOM 739 N GLU A 45 -0.508 5.010 7.342 1.00 3.20 N ATOM 740 CA GLU A 45 -0.347 6.215 8.184 1.00 15.32 C ATOM 741 C GLU A 45 -0.013 5.833 9.635 1.00 72.52 C ATOM 742 O GLU A 45 0.950 6.354 10.207 1.00 4.13 O ATOM 743 CB GLU A 45 -1.618 7.111 8.148 1.00 53.22 C ATOM 744 CG GLU A 45 -2.079 7.551 6.740 1.00 53.25 C ATOM 745 CD GLU A 45 -1.056 8.388 5.948 1.00 3.50 C ATOM 746 OE1 GLU A 45 -1.188 9.633 5.917 1.00 60.04 O ATOM 747 OE2 GLU A 45 -0.125 7.813 5.335 1.00 60.05 O ATOM 0 H GLU A 45 -1.448 4.892 6.965 1.00 3.20 H new ATOM 0 HA GLU A 45 0.484 6.787 7.772 1.00 15.32 H new ATOM 0 HB2 GLU A 45 -2.435 6.572 8.628 1.00 53.22 H new ATOM 0 HB3 GLU A 45 -1.430 8.003 8.746 1.00 53.22 H new ATOM 0 HG2 GLU A 45 -2.323 6.661 6.160 1.00 53.25 H new ATOM 0 HG3 GLU A 45 -2.998 8.129 6.840 1.00 53.25 H new ATOM 754 N THR A 46 -0.795 4.894 10.211 1.00 64.21 N ATOM 755 CA THR A 46 -0.615 4.477 11.615 1.00 4.24 C ATOM 756 C THR A 46 0.735 3.770 11.840 1.00 73.33 C ATOM 757 O THR A 46 1.390 4.019 12.861 1.00 74.31 O ATOM 758 CB THR A 46 -1.805 3.593 12.153 1.00 1.25 C ATOM 759 OG1 THR A 46 -1.527 3.126 13.485 1.00 1.01 O ATOM 760 CG2 THR A 46 -2.107 2.383 11.268 1.00 73.21 C ATOM 0 H THR A 46 -1.553 4.414 9.726 1.00 64.21 H new ATOM 0 HA THR A 46 -0.615 5.399 12.196 1.00 4.24 H new ATOM 0 HB THR A 46 -2.681 4.241 12.146 1.00 1.25 H new ATOM 0 HG1 THR A 46 -2.276 2.581 13.803 1.00 1.01 H new ATOM 0 HG21 THR A 46 -2.936 1.818 11.695 1.00 73.21 H new ATOM 0 HG22 THR A 46 -2.376 2.722 10.268 1.00 73.21 H new ATOM 0 HG23 THR A 46 -1.225 1.745 11.210 1.00 73.21 H new ATOM 768 N VAL A 47 1.175 2.910 10.884 1.00 50.23 N ATOM 769 CA VAL A 47 2.438 2.157 11.055 1.00 73.32 C ATOM 770 C VAL A 47 3.674 3.074 10.858 1.00 0.11 C ATOM 771 O VAL A 47 4.714 2.874 11.495 1.00 2.34 O ATOM 772 CB VAL A 47 2.517 0.904 10.100 1.00 13.11 C ATOM 773 CG1 VAL A 47 2.949 1.282 8.663 1.00 21.23 C ATOM 774 CG2 VAL A 47 3.433 -0.191 10.689 1.00 52.23 C ATOM 0 H VAL A 47 0.685 2.726 10.009 1.00 50.23 H new ATOM 0 HA VAL A 47 2.446 1.788 12.081 1.00 73.32 H new ATOM 0 HB VAL A 47 1.507 0.499 10.029 1.00 13.11 H new ATOM 0 HG11 VAL A 47 2.988 0.384 8.047 1.00 21.23 H new ATOM 0 HG12 VAL A 47 2.229 1.982 8.239 1.00 21.23 H new ATOM 0 HG13 VAL A 47 3.935 1.746 8.690 1.00 21.23 H new ATOM 0 HG21 VAL A 47 3.467 -1.042 10.008 1.00 52.23 H new ATOM 0 HG22 VAL A 47 4.438 0.208 10.822 1.00 52.23 H new ATOM 0 HG23 VAL A 47 3.041 -0.514 11.653 1.00 52.23 H new ATOM 784 N MET A 48 3.542 4.082 9.971 1.00 33.35 N ATOM 785 CA MET A 48 4.617 5.050 9.682 1.00 14.21 C ATOM 786 C MET A 48 4.674 6.139 10.776 1.00 23.25 C ATOM 787 O MET A 48 5.702 6.805 10.949 1.00 11.24 O ATOM 788 CB MET A 48 4.411 5.663 8.270 1.00 41.40 C ATOM 789 CG MET A 48 5.538 6.589 7.782 1.00 53.03 C ATOM 790 SD MET A 48 5.366 7.036 6.041 1.00 64.13 S ATOM 791 CE MET A 48 5.597 5.449 5.236 1.00 64.23 C ATOM 0 H MET A 48 2.689 4.246 9.437 1.00 33.35 H new ATOM 0 HA MET A 48 5.577 4.534 9.688 1.00 14.21 H new ATOM 0 HB2 MET A 48 4.296 4.850 7.553 1.00 41.40 H new ATOM 0 HB3 MET A 48 3.477 6.224 8.269 1.00 41.40 H new ATOM 0 HG2 MET A 48 5.545 7.496 8.387 1.00 53.03 H new ATOM 0 HG3 MET A 48 6.499 6.097 7.934 1.00 53.03 H new ATOM 0 HE1 MET A 48 6.072 5.599 4.266 1.00 64.23 H new ATOM 0 HE2 MET A 48 6.231 4.815 5.856 1.00 64.23 H new ATOM 0 HE3 MET A 48 4.629 4.968 5.096 1.00 64.23 H new ATOM 801 N GLU A 49 3.556 6.313 11.507 1.00 1.41 N ATOM 802 CA GLU A 49 3.497 7.200 12.685 1.00 2.53 C ATOM 803 C GLU A 49 4.099 6.499 13.909 1.00 65.14 C ATOM 804 O GLU A 49 4.810 7.118 14.710 1.00 52.24 O ATOM 805 CB GLU A 49 2.025 7.601 12.977 1.00 25.24 C ATOM 806 CG GLU A 49 1.840 8.537 14.193 1.00 34.31 C ATOM 807 CD GLU A 49 0.370 8.811 14.526 1.00 53.31 C ATOM 808 OE1 GLU A 49 -0.244 9.687 13.883 1.00 73.14 O ATOM 809 OE2 GLU A 49 -0.187 8.144 15.426 1.00 51.04 O ATOM 0 H GLU A 49 2.673 5.846 11.299 1.00 1.41 H new ATOM 0 HA GLU A 49 4.076 8.099 12.474 1.00 2.53 H new ATOM 0 HB2 GLU A 49 1.614 8.090 12.094 1.00 25.24 H new ATOM 0 HB3 GLU A 49 1.442 6.695 13.141 1.00 25.24 H new ATOM 0 HG2 GLU A 49 2.326 8.093 15.062 1.00 34.31 H new ATOM 0 HG3 GLU A 49 2.343 9.483 13.995 1.00 34.31 H new ATOM 923 N THR A 57 14.610 -6.782 17.161 1.00 33.41 N ATOM 924 CA THR A 57 15.050 -8.201 17.099 1.00 13.23 C ATOM 925 C THR A 57 14.849 -8.797 15.692 1.00 2.20 C ATOM 926 O THR A 57 13.944 -8.370 14.968 1.00 21.02 O ATOM 927 CB THR A 57 14.316 -9.082 18.174 1.00 72.25 C ATOM 928 OG1 THR A 57 14.849 -10.417 18.171 1.00 65.14 O ATOM 929 CG2 THR A 57 12.795 -9.144 17.950 1.00 4.35 C ATOM 0 HA THR A 57 16.117 -8.209 17.323 1.00 13.23 H new ATOM 0 HB THR A 57 14.491 -8.608 19.140 1.00 72.25 H new ATOM 0 HG1 THR A 57 14.385 -10.956 18.846 1.00 65.14 H new ATOM 0 HG21 THR A 57 12.339 -9.765 18.721 1.00 4.35 H new ATOM 0 HG22 THR A 57 12.378 -8.138 18.001 1.00 4.35 H new ATOM 0 HG23 THR A 57 12.589 -9.573 16.969 1.00 4.35 H new ATOM 937 N ARG A 58 15.689 -9.799 15.331 1.00 62.34 N ATOM 938 CA ARG A 58 15.686 -10.397 13.978 1.00 51.34 C ATOM 939 C ARG A 58 14.362 -11.110 13.665 1.00 33.13 C ATOM 940 O ARG A 58 14.031 -11.268 12.500 1.00 33.43 O ATOM 941 CB ARG A 58 16.862 -11.394 13.769 1.00 25.52 C ATOM 942 CG ARG A 58 18.278 -10.802 13.960 1.00 74.03 C ATOM 943 CD ARG A 58 19.399 -11.731 13.433 1.00 15.31 C ATOM 944 NE ARG A 58 19.415 -11.803 11.950 1.00 20.42 N ATOM 945 CZ ARG A 58 19.048 -12.863 11.201 1.00 32.33 C ATOM 946 NH1 ARG A 58 18.612 -13.996 11.764 1.00 21.12 N ATOM 947 NH2 ARG A 58 19.105 -12.781 9.875 1.00 25.13 N ATOM 0 H ARG A 58 16.378 -10.209 15.962 1.00 62.34 H new ATOM 0 HA ARG A 58 15.810 -9.561 13.290 1.00 51.34 H new ATOM 0 HB2 ARG A 58 16.738 -12.226 14.463 1.00 25.52 H new ATOM 0 HB3 ARG A 58 16.792 -11.806 12.762 1.00 25.52 H new ATOM 0 HG2 ARG A 58 18.337 -9.843 13.446 1.00 74.03 H new ATOM 0 HG3 ARG A 58 18.444 -10.606 15.019 1.00 74.03 H new ATOM 0 HD2 ARG A 58 20.364 -11.371 13.788 1.00 15.31 H new ATOM 0 HD3 ARG A 58 19.262 -12.732 13.842 1.00 15.31 H new ATOM 0 HE ARG A 58 19.734 -10.973 11.451 1.00 20.42 H new ATOM 0 HH11 ARG A 58 18.552 -14.071 12.779 1.00 21.12 H new ATOM 0 HH12 ARG A 58 18.340 -14.785 11.178 1.00 21.12 H new ATOM 0 HH21 ARG A 58 19.425 -11.920 9.431 1.00 25.13 H new ATOM 0 HH22 ARG A 58 18.829 -13.579 9.302 1.00 25.13 H new ATOM 961 N SER A 59 13.620 -11.537 14.708 1.00 50.42 N ATOM 962 CA SER A 59 12.314 -12.195 14.535 1.00 1.23 C ATOM 963 C SER A 59 11.298 -11.211 13.918 1.00 34.12 C ATOM 964 O SER A 59 10.791 -11.443 12.805 1.00 73.13 O ATOM 965 CB SER A 59 11.804 -12.717 15.896 1.00 54.33 C ATOM 966 OG SER A 59 12.741 -13.589 16.497 1.00 0.14 O ATOM 0 H SER A 59 13.907 -11.436 15.681 1.00 50.42 H new ATOM 0 HA SER A 59 12.429 -13.040 13.857 1.00 1.23 H new ATOM 0 HB2 SER A 59 11.609 -11.875 16.561 1.00 54.33 H new ATOM 0 HB3 SER A 59 10.857 -13.238 15.756 1.00 54.33 H new ATOM 0 HG SER A 59 12.392 -13.902 17.357 1.00 0.14 H new ATOM 972 N ILE A 60 11.059 -10.085 14.635 1.00 1.35 N ATOM 973 CA ILE A 60 10.134 -9.025 14.199 1.00 74.33 C ATOM 974 C ILE A 60 10.625 -8.430 12.875 1.00 40.32 C ATOM 975 O ILE A 60 9.863 -8.338 11.928 1.00 52.15 O ATOM 976 CB ILE A 60 9.999 -7.879 15.271 1.00 14.32 C ATOM 977 CG1 ILE A 60 9.465 -8.438 16.623 1.00 2.23 C ATOM 978 CG2 ILE A 60 9.095 -6.720 14.759 1.00 35.14 C ATOM 979 CD1 ILE A 60 9.405 -7.414 17.746 1.00 14.31 C ATOM 0 H ILE A 60 11.506 -9.892 15.532 1.00 1.35 H new ATOM 0 HA ILE A 60 9.150 -9.477 14.071 1.00 74.33 H new ATOM 0 HB ILE A 60 10.996 -7.472 15.439 1.00 14.32 H new ATOM 0 HG12 ILE A 60 8.466 -8.845 16.465 1.00 2.23 H new ATOM 0 HG13 ILE A 60 10.101 -9.266 16.936 1.00 2.23 H new ATOM 0 HG21 ILE A 60 9.025 -5.948 15.525 1.00 35.14 H new ATOM 0 HG22 ILE A 60 9.527 -6.295 13.853 1.00 35.14 H new ATOM 0 HG23 ILE A 60 8.099 -7.105 14.540 1.00 35.14 H new ATOM 0 HD11 ILE A 60 9.022 -7.887 18.650 1.00 14.31 H new ATOM 0 HD12 ILE A 60 10.405 -7.024 17.936 1.00 14.31 H new ATOM 0 HD13 ILE A 60 8.745 -6.596 17.458 1.00 14.31 H new ATOM 991 N GLN A 61 11.926 -8.084 12.831 1.00 24.51 N ATOM 992 CA GLN A 61 12.575 -7.470 11.655 1.00 73.34 C ATOM 993 C GLN A 61 12.390 -8.325 10.385 1.00 62.52 C ATOM 994 O GLN A 61 12.049 -7.784 9.346 1.00 15.32 O ATOM 995 CB GLN A 61 14.081 -7.229 11.939 1.00 50.51 C ATOM 996 CG GLN A 61 14.903 -6.722 10.733 1.00 61.31 C ATOM 997 CD GLN A 61 16.348 -6.394 11.098 1.00 54.10 C ATOM 998 OE1 GLN A 61 17.231 -7.257 11.065 1.00 0.51 O ATOM 999 NE2 GLN A 61 16.609 -5.149 11.430 1.00 63.30 N ATOM 0 H GLN A 61 12.562 -8.224 13.616 1.00 24.51 H new ATOM 0 HA GLN A 61 12.091 -6.511 11.472 1.00 73.34 H new ATOM 0 HB2 GLN A 61 14.171 -6.506 12.750 1.00 50.51 H new ATOM 0 HB3 GLN A 61 14.522 -8.161 12.293 1.00 50.51 H new ATOM 0 HG2 GLN A 61 14.894 -7.479 9.949 1.00 61.31 H new ATOM 0 HG3 GLN A 61 14.426 -5.832 10.322 1.00 61.31 H new ATOM 0 HE21 GLN A 61 15.859 -4.458 11.448 1.00 63.30 H new ATOM 0 HE22 GLN A 61 17.562 -4.874 11.669 1.00 63.30 H new ATOM 1008 N ASP A 62 12.569 -9.660 10.500 1.00 40.15 N ATOM 1009 CA ASP A 62 12.454 -10.593 9.346 1.00 50.03 C ATOM 1010 C ASP A 62 10.999 -10.741 8.888 1.00 72.41 C ATOM 1011 O ASP A 62 10.723 -10.664 7.682 1.00 24.22 O ATOM 1012 CB ASP A 62 13.036 -11.990 9.692 1.00 75.03 C ATOM 1013 CG ASP A 62 12.905 -13.017 8.540 1.00 45.40 C ATOM 1014 OD1 ASP A 62 11.981 -13.865 8.567 1.00 35.41 O ATOM 1015 OD2 ASP A 62 13.727 -12.979 7.601 1.00 74.35 O ATOM 0 H ASP A 62 12.795 -10.121 11.381 1.00 40.15 H new ATOM 0 HA ASP A 62 13.034 -10.162 8.530 1.00 50.03 H new ATOM 0 HB2 ASP A 62 14.089 -11.882 9.953 1.00 75.03 H new ATOM 0 HB3 ASP A 62 12.527 -12.379 10.574 1.00 75.03 H new ATOM 1020 N MET A 63 10.072 -10.961 9.850 1.00 13.23 N ATOM 1021 CA MET A 63 8.633 -11.135 9.541 1.00 62.23 C ATOM 1022 C MET A 63 8.070 -9.865 8.883 1.00 40.11 C ATOM 1023 O MET A 63 7.428 -9.928 7.826 1.00 61.21 O ATOM 1024 CB MET A 63 7.828 -11.520 10.811 1.00 22.53 C ATOM 1025 CG MET A 63 8.204 -12.892 11.397 1.00 51.32 C ATOM 1026 SD MET A 63 7.211 -13.342 12.839 1.00 52.14 S ATOM 1027 CE MET A 63 7.716 -12.125 14.057 1.00 54.33 C ATOM 0 H MET A 63 10.294 -11.022 10.844 1.00 13.23 H new ATOM 0 HA MET A 63 8.531 -11.958 8.833 1.00 62.23 H new ATOM 0 HB2 MET A 63 7.983 -10.756 11.573 1.00 22.53 H new ATOM 0 HB3 MET A 63 6.765 -11.518 10.570 1.00 22.53 H new ATOM 0 HG2 MET A 63 8.083 -13.655 10.628 1.00 51.32 H new ATOM 0 HG3 MET A 63 9.258 -12.885 11.676 1.00 51.32 H new ATOM 0 HE1 MET A 63 7.125 -12.251 14.964 1.00 54.33 H new ATOM 0 HE2 MET A 63 8.772 -12.260 14.290 1.00 54.33 H new ATOM 0 HE3 MET A 63 7.558 -11.123 13.657 1.00 54.33 H new ATOM 1037 N VAL A 64 8.385 -8.720 9.496 1.00 22.23 N ATOM 1038 CA VAL A 64 8.025 -7.391 8.999 1.00 63.11 C ATOM 1039 C VAL A 64 8.718 -7.095 7.652 1.00 33.34 C ATOM 1040 O VAL A 64 8.103 -6.498 6.796 1.00 51.00 O ATOM 1041 CB VAL A 64 8.353 -6.291 10.082 1.00 4.43 C ATOM 1042 CG1 VAL A 64 8.317 -4.862 9.512 1.00 42.10 C ATOM 1043 CG2 VAL A 64 7.389 -6.419 11.293 1.00 4.23 C ATOM 0 H VAL A 64 8.909 -8.692 10.371 1.00 22.23 H new ATOM 0 HA VAL A 64 6.951 -7.368 8.817 1.00 63.11 H new ATOM 0 HB VAL A 64 9.376 -6.470 10.414 1.00 4.43 H new ATOM 0 HG11 VAL A 64 8.550 -4.149 10.303 1.00 42.10 H new ATOM 0 HG12 VAL A 64 9.052 -4.771 8.712 1.00 42.10 H new ATOM 0 HG13 VAL A 64 7.323 -4.653 9.117 1.00 42.10 H new ATOM 0 HG21 VAL A 64 7.628 -5.653 12.031 1.00 4.23 H new ATOM 0 HG22 VAL A 64 6.361 -6.289 10.955 1.00 4.23 H new ATOM 0 HG23 VAL A 64 7.500 -7.405 11.744 1.00 4.23 H new ATOM 1053 N ALA A 65 9.975 -7.557 7.460 1.00 42.52 N ATOM 1054 CA ALA A 65 10.714 -7.370 6.177 1.00 34.31 C ATOM 1055 C ALA A 65 10.084 -8.197 5.046 1.00 11.05 C ATOM 1056 O ALA A 65 10.197 -7.836 3.868 1.00 25.12 O ATOM 1057 CB ALA A 65 12.198 -7.729 6.326 1.00 12.41 C ATOM 0 H ALA A 65 10.503 -8.062 8.172 1.00 42.52 H new ATOM 0 HA ALA A 65 10.641 -6.314 5.917 1.00 34.31 H new ATOM 0 HB1 ALA A 65 12.706 -7.581 5.373 1.00 12.41 H new ATOM 0 HB2 ALA A 65 12.653 -7.089 7.082 1.00 12.41 H new ATOM 0 HB3 ALA A 65 12.291 -8.772 6.629 1.00 12.41 H new ATOM 1063 N GLY A 66 9.430 -9.313 5.423 1.00 64.43 N ATOM 1064 CA GLY A 66 8.622 -10.097 4.493 1.00 43.11 C ATOM 1065 C GLY A 66 7.351 -9.358 4.114 1.00 3.34 C ATOM 1066 O GLY A 66 6.995 -9.291 2.941 1.00 73.44 O ATOM 0 H GLY A 66 9.451 -9.686 6.372 1.00 64.43 H new ATOM 0 HA2 GLY A 66 9.202 -10.313 3.596 1.00 43.11 H new ATOM 0 HA3 GLY A 66 8.368 -11.055 4.946 1.00 43.11 H new ATOM 1070 N TYR A 67 6.698 -8.755 5.127 1.00 23.04 N ATOM 1071 CA TYR A 67 5.491 -7.918 4.942 1.00 20.12 C ATOM 1072 C TYR A 67 5.824 -6.610 4.187 1.00 41.24 C ATOM 1073 O TYR A 67 4.964 -6.042 3.510 1.00 72.42 O ATOM 1074 CB TYR A 67 4.864 -7.574 6.313 1.00 4.02 C ATOM 1075 CG TYR A 67 4.414 -8.771 7.172 1.00 55.53 C ATOM 1076 CD1 TYR A 67 4.549 -8.743 8.568 1.00 51.41 C ATOM 1077 CD2 TYR A 67 3.851 -9.915 6.598 1.00 13.32 C ATOM 1078 CE1 TYR A 67 4.143 -9.803 9.348 1.00 3.25 C ATOM 1079 CE2 TYR A 67 3.444 -10.980 7.382 1.00 31.32 C ATOM 1080 CZ TYR A 67 3.591 -10.919 8.754 1.00 41.02 C ATOM 1081 OH TYR A 67 3.177 -11.979 9.535 1.00 21.22 O ATOM 0 H TYR A 67 6.992 -8.834 6.101 1.00 23.04 H new ATOM 0 HA TYR A 67 4.780 -8.490 4.346 1.00 20.12 H new ATOM 0 HB2 TYR A 67 5.588 -6.994 6.885 1.00 4.02 H new ATOM 0 HB3 TYR A 67 4.001 -6.930 6.144 1.00 4.02 H new ATOM 0 HD1 TYR A 67 4.980 -7.873 9.041 1.00 51.41 H new ATOM 0 HD2 TYR A 67 3.732 -9.968 5.526 1.00 13.32 H new ATOM 0 HE1 TYR A 67 4.256 -9.761 10.421 1.00 3.25 H new ATOM 0 HE2 TYR A 67 3.012 -11.857 6.922 1.00 31.32 H new ATOM 0 HH TYR A 67 2.811 -12.684 8.962 1.00 21.22 H new ATOM 1091 N ILE A 68 7.081 -6.156 4.334 1.00 0.51 N ATOM 1092 CA ILE A 68 7.615 -4.949 3.683 1.00 23.33 C ATOM 1093 C ILE A 68 7.896 -5.242 2.205 1.00 12.12 C ATOM 1094 O ILE A 68 7.625 -4.403 1.333 1.00 4.51 O ATOM 1095 CB ILE A 68 8.895 -4.403 4.458 1.00 42.43 C ATOM 1096 CG1 ILE A 68 8.445 -3.578 5.716 1.00 40.10 C ATOM 1097 CG2 ILE A 68 9.866 -3.594 3.559 1.00 11.13 C ATOM 1098 CD1 ILE A 68 9.573 -2.966 6.536 1.00 74.25 C ATOM 0 H ILE A 68 7.768 -6.629 4.921 1.00 0.51 H new ATOM 0 HA ILE A 68 6.872 -4.153 3.725 1.00 23.33 H new ATOM 0 HB ILE A 68 9.467 -5.271 4.785 1.00 42.43 H new ATOM 0 HG12 ILE A 68 7.783 -2.777 5.386 1.00 40.10 H new ATOM 0 HG13 ILE A 68 7.859 -4.229 6.365 1.00 40.10 H new ATOM 0 HG21 ILE A 68 10.714 -3.254 4.153 1.00 11.13 H new ATOM 0 HG22 ILE A 68 10.223 -4.227 2.747 1.00 11.13 H new ATOM 0 HG23 ILE A 68 9.344 -2.732 3.144 1.00 11.13 H new ATOM 0 HD11 ILE A 68 9.154 -2.419 7.380 1.00 74.25 H new ATOM 0 HD12 ILE A 68 10.225 -3.757 6.905 1.00 74.25 H new ATOM 0 HD13 ILE A 68 10.148 -2.283 5.911 1.00 74.25 H new ATOM 1110 N LYS A 69 8.398 -6.465 1.929 1.00 25.42 N ATOM 1111 CA LYS A 69 8.573 -6.956 0.555 1.00 75.43 C ATOM 1112 C LYS A 69 7.198 -7.028 -0.118 1.00 31.53 C ATOM 1113 O LYS A 69 7.042 -6.562 -1.243 1.00 31.14 O ATOM 1114 CB LYS A 69 9.314 -8.334 0.545 1.00 50.14 C ATOM 1115 CG LYS A 69 9.722 -8.875 -0.863 1.00 34.05 C ATOM 1116 CD LYS A 69 8.569 -9.580 -1.633 1.00 1.24 C ATOM 1117 CE LYS A 69 8.953 -9.963 -3.069 1.00 31.14 C ATOM 1118 NZ LYS A 69 10.159 -10.837 -3.110 1.00 31.41 N ATOM 0 H LYS A 69 8.689 -7.129 2.647 1.00 25.42 H new ATOM 0 HA LYS A 69 9.201 -6.269 -0.012 1.00 75.43 H new ATOM 0 HB2 LYS A 69 10.213 -8.246 1.155 1.00 50.14 H new ATOM 0 HB3 LYS A 69 8.674 -9.073 1.026 1.00 50.14 H new ATOM 0 HG2 LYS A 69 10.092 -8.045 -1.465 1.00 34.05 H new ATOM 0 HG3 LYS A 69 10.548 -9.577 -0.745 1.00 34.05 H new ATOM 0 HD2 LYS A 69 8.273 -10.478 -1.090 1.00 1.24 H new ATOM 0 HD3 LYS A 69 7.701 -8.922 -1.658 1.00 1.24 H new ATOM 0 HE2 LYS A 69 8.117 -10.477 -3.543 1.00 31.14 H new ATOM 0 HE3 LYS A 69 9.141 -9.059 -3.648 1.00 31.14 H new ATOM 0 HZ1 LYS A 69 10.324 -11.155 -4.086 1.00 31.41 H new ATOM 0 HZ2 LYS A 69 10.986 -10.303 -2.775 1.00 31.41 H new ATOM 0 HZ3 LYS A 69 10.009 -11.664 -2.497 1.00 31.41 H new ATOM 1132 N GLN A 70 6.211 -7.587 0.609 1.00 11.31 N ATOM 1133 CA GLN A 70 4.840 -7.758 0.104 1.00 20.12 C ATOM 1134 C GLN A 70 4.226 -6.407 -0.279 1.00 41.34 C ATOM 1135 O GLN A 70 3.819 -6.219 -1.431 1.00 44.02 O ATOM 1136 CB GLN A 70 3.953 -8.482 1.158 1.00 51.01 C ATOM 1137 CG GLN A 70 4.285 -9.981 1.377 1.00 11.24 C ATOM 1138 CD GLN A 70 3.843 -10.911 0.231 1.00 23.54 C ATOM 1139 OE1 GLN A 70 3.766 -10.515 -0.934 1.00 50.04 O ATOM 1140 NE2 GLN A 70 3.573 -12.168 0.554 1.00 35.42 N ATOM 0 H GLN A 70 6.344 -7.931 1.560 1.00 11.31 H new ATOM 0 HA GLN A 70 4.885 -8.377 -0.792 1.00 20.12 H new ATOM 0 HB2 GLN A 70 4.049 -7.961 2.111 1.00 51.01 H new ATOM 0 HB3 GLN A 70 2.910 -8.397 0.853 1.00 51.01 H new ATOM 0 HG2 GLN A 70 5.361 -10.084 1.516 1.00 11.24 H new ATOM 0 HG3 GLN A 70 3.811 -10.313 2.300 1.00 11.24 H new ATOM 0 HE21 GLN A 70 3.644 -12.472 1.525 1.00 35.42 H new ATOM 0 HE22 GLN A 70 3.294 -12.832 -0.169 1.00 35.42 H new ATOM 1149 N THR A 71 4.221 -5.455 0.675 1.00 13.25 N ATOM 1150 CA THR A 71 3.599 -4.151 0.455 1.00 65.43 C ATOM 1151 C THR A 71 4.280 -3.394 -0.699 1.00 31.33 C ATOM 1152 O THR A 71 3.598 -2.976 -1.610 1.00 51.42 O ATOM 1153 CB THR A 71 3.512 -3.274 1.749 1.00 63.31 C ATOM 1154 OG1 THR A 71 2.828 -2.045 1.467 1.00 64.34 O ATOM 1155 CG2 THR A 71 4.873 -2.953 2.368 1.00 0.34 C ATOM 0 H THR A 71 4.640 -5.571 1.598 1.00 13.25 H new ATOM 0 HA THR A 71 2.568 -4.354 0.167 1.00 65.43 H new ATOM 0 HB THR A 71 2.961 -3.870 2.476 1.00 63.31 H new ATOM 0 HG1 THR A 71 3.430 -1.290 1.635 1.00 64.34 H new ATOM 0 HG21 THR A 71 4.732 -2.343 3.260 1.00 0.34 H new ATOM 0 HG22 THR A 71 5.377 -3.881 2.639 1.00 0.34 H new ATOM 0 HG23 THR A 71 5.481 -2.407 1.647 1.00 0.34 H new ATOM 1163 N LEU A 72 5.628 -3.318 -0.702 1.00 11.51 N ATOM 1164 CA LEU A 72 6.377 -2.550 -1.724 1.00 20.40 C ATOM 1165 C LEU A 72 6.273 -3.173 -3.136 1.00 4.12 C ATOM 1166 O LEU A 72 6.146 -2.441 -4.116 1.00 43.45 O ATOM 1167 CB LEU A 72 7.864 -2.395 -1.302 1.00 15.32 C ATOM 1168 CG LEU A 72 8.131 -1.426 -0.109 1.00 3.41 C ATOM 1169 CD1 LEU A 72 9.602 -1.495 0.356 1.00 20.41 C ATOM 1170 CD2 LEU A 72 7.724 0.016 -0.482 1.00 21.21 C ATOM 0 H LEU A 72 6.220 -3.778 -0.010 1.00 11.51 H new ATOM 0 HA LEU A 72 5.916 -1.564 -1.782 1.00 20.40 H new ATOM 0 HB2 LEU A 72 8.253 -3.379 -1.041 1.00 15.32 H new ATOM 0 HB3 LEU A 72 8.433 -2.046 -2.164 1.00 15.32 H new ATOM 0 HG LEU A 72 7.514 -1.745 0.731 1.00 3.41 H new ATOM 0 HD11 LEU A 72 9.753 -0.808 1.188 1.00 20.41 H new ATOM 0 HD12 LEU A 72 9.835 -2.510 0.677 1.00 20.41 H new ATOM 0 HD13 LEU A 72 10.258 -1.216 -0.469 1.00 20.41 H new ATOM 0 HD21 LEU A 72 7.917 0.678 0.362 1.00 21.21 H new ATOM 0 HD22 LEU A 72 8.305 0.347 -1.343 1.00 21.21 H new ATOM 0 HD23 LEU A 72 6.663 0.042 -0.728 1.00 21.21 H new ATOM 1182 N ASP A 73 6.305 -4.517 -3.228 1.00 40.31 N ATOM 1183 CA ASP A 73 6.320 -5.242 -4.526 1.00 24.32 C ATOM 1184 C ASP A 73 4.935 -5.183 -5.184 1.00 2.32 C ATOM 1185 O ASP A 73 4.795 -4.770 -6.349 1.00 42.12 O ATOM 1186 CB ASP A 73 6.755 -6.722 -4.318 1.00 1.22 C ATOM 1187 CG ASP A 73 7.117 -7.454 -5.627 1.00 11.43 C ATOM 1188 OD1 ASP A 73 8.325 -7.564 -5.944 1.00 73.23 O ATOM 1189 OD2 ASP A 73 6.205 -7.913 -6.352 1.00 71.22 O ATOM 0 H ASP A 73 6.321 -5.132 -2.414 1.00 40.31 H new ATOM 0 HA ASP A 73 7.041 -4.758 -5.184 1.00 24.32 H new ATOM 0 HB2 ASP A 73 7.615 -6.748 -3.649 1.00 1.22 H new ATOM 0 HB3 ASP A 73 5.948 -7.262 -3.822 1.00 1.22 H new ATOM 1194 N ASN A 74 3.914 -5.580 -4.402 1.00 40.05 N ATOM 1195 CA ASN A 74 2.515 -5.598 -4.854 1.00 14.41 C ATOM 1196 C ASN A 74 2.005 -4.169 -5.141 1.00 12.25 C ATOM 1197 O ASN A 74 1.218 -3.982 -6.067 1.00 42.40 O ATOM 1198 CB ASN A 74 1.617 -6.323 -3.812 1.00 3.44 C ATOM 1199 CG ASN A 74 1.805 -7.859 -3.800 1.00 32.51 C ATOM 1200 OD1 ASN A 74 1.104 -8.590 -4.494 1.00 71.01 O ATOM 1201 ND2 ASN A 74 2.744 -8.367 -3.020 1.00 74.12 N ATOM 0 H ASN A 74 4.038 -5.897 -3.440 1.00 40.05 H new ATOM 0 HA ASN A 74 2.463 -6.155 -5.790 1.00 14.41 H new ATOM 0 HB2 ASN A 74 1.836 -5.930 -2.819 1.00 3.44 H new ATOM 0 HB3 ASN A 74 0.572 -6.094 -4.022 1.00 3.44 H new ATOM 0 HD21 ASN A 74 2.892 -9.376 -2.991 1.00 74.12 H new ATOM 0 HD22 ASN A 74 3.320 -7.750 -2.448 1.00 74.12 H new ATOM 1208 N GLU A 75 2.483 -3.170 -4.357 1.00 42.40 N ATOM 1209 CA GLU A 75 2.141 -1.741 -4.562 1.00 15.24 C ATOM 1210 C GLU A 75 2.897 -1.148 -5.768 1.00 72.22 C ATOM 1211 O GLU A 75 2.387 -0.250 -6.418 1.00 51.30 O ATOM 1212 CB GLU A 75 2.446 -0.905 -3.297 1.00 60.32 C ATOM 1213 CG GLU A 75 2.076 0.585 -3.388 1.00 31.31 C ATOM 1214 CD GLU A 75 2.594 1.411 -2.205 1.00 30.33 C ATOM 1215 OE1 GLU A 75 1.876 1.526 -1.188 1.00 5.42 O ATOM 1216 OE2 GLU A 75 3.717 1.961 -2.305 1.00 10.41 O ATOM 0 H GLU A 75 3.112 -3.331 -3.570 1.00 42.40 H new ATOM 0 HA GLU A 75 1.071 -1.697 -4.765 1.00 15.24 H new ATOM 0 HB2 GLU A 75 1.912 -1.344 -2.454 1.00 60.32 H new ATOM 0 HB3 GLU A 75 3.510 -0.985 -3.077 1.00 60.32 H new ATOM 0 HG2 GLU A 75 2.479 0.996 -4.314 1.00 31.31 H new ATOM 0 HG3 GLU A 75 0.992 0.680 -3.442 1.00 31.31 H new ATOM 1223 N GLN A 76 4.120 -1.649 -6.041 1.00 43.31 N ATOM 1224 CA GLN A 76 4.915 -1.234 -7.224 1.00 52.22 C ATOM 1225 C GLN A 76 4.193 -1.668 -8.512 1.00 22.51 C ATOM 1226 O GLN A 76 4.130 -0.924 -9.498 1.00 51.43 O ATOM 1227 CB GLN A 76 6.336 -1.860 -7.174 1.00 32.40 C ATOM 1228 CG GLN A 76 7.270 -1.445 -8.330 1.00 64.35 C ATOM 1229 CD GLN A 76 8.596 -2.202 -8.336 1.00 40.54 C ATOM 1230 OE1 GLN A 76 9.586 -1.768 -7.749 1.00 3.12 O ATOM 1231 NE2 GLN A 76 8.619 -3.359 -8.980 1.00 2.23 N ATOM 0 H GLN A 76 4.583 -2.345 -5.457 1.00 43.31 H new ATOM 0 HA GLN A 76 5.016 -0.149 -7.215 1.00 52.22 H new ATOM 0 HB2 GLN A 76 6.806 -1.584 -6.230 1.00 32.40 H new ATOM 0 HB3 GLN A 76 6.239 -2.946 -7.176 1.00 32.40 H new ATOM 0 HG2 GLN A 76 6.760 -1.613 -9.278 1.00 64.35 H new ATOM 0 HG3 GLN A 76 7.470 -0.376 -8.260 1.00 64.35 H new ATOM 0 HE21 GLN A 76 7.782 -3.693 -9.458 1.00 2.23 H new ATOM 0 HE22 GLN A 76 9.473 -3.916 -8.998 1.00 2.23 H new ATOM 1240 N LEU A 77 3.632 -2.885 -8.465 1.00 63.20 N ATOM 1241 CA LEU A 77 2.828 -3.444 -9.560 1.00 25.23 C ATOM 1242 C LEU A 77 1.460 -2.727 -9.668 1.00 74.13 C ATOM 1243 O LEU A 77 0.971 -2.487 -10.779 1.00 62.21 O ATOM 1244 CB LEU A 77 2.670 -4.971 -9.357 1.00 51.12 C ATOM 1245 CG LEU A 77 3.957 -5.818 -9.614 1.00 31.22 C ATOM 1246 CD1 LEU A 77 3.751 -7.294 -9.225 1.00 3.40 C ATOM 1247 CD2 LEU A 77 4.397 -5.690 -11.087 1.00 14.33 C ATOM 0 H LEU A 77 3.724 -3.510 -7.664 1.00 63.20 H new ATOM 0 HA LEU A 77 3.342 -3.277 -10.506 1.00 25.23 H new ATOM 0 HB2 LEU A 77 2.335 -5.152 -8.336 1.00 51.12 H new ATOM 0 HB3 LEU A 77 1.882 -5.329 -10.019 1.00 51.12 H new ATOM 0 HG LEU A 77 4.751 -5.425 -8.979 1.00 31.22 H new ATOM 0 HD11 LEU A 77 4.667 -7.852 -9.418 1.00 3.40 H new ATOM 0 HD12 LEU A 77 3.502 -7.360 -8.166 1.00 3.40 H new ATOM 0 HD13 LEU A 77 2.938 -7.716 -9.816 1.00 3.40 H new ATOM 0 HD21 LEU A 77 5.295 -6.285 -11.252 1.00 14.33 H new ATOM 0 HD22 LEU A 77 3.599 -6.049 -11.737 1.00 14.33 H new ATOM 0 HD23 LEU A 77 4.608 -4.645 -11.314 1.00 14.33 H new ATOM 1259 N LEU A 78 0.861 -2.381 -8.504 1.00 5.33 N ATOM 1260 CA LEU A 78 -0.334 -1.497 -8.433 1.00 63.43 C ATOM 1261 C LEU A 78 -0.033 -0.137 -9.073 1.00 1.20 C ATOM 1262 O LEU A 78 -0.839 0.391 -9.824 1.00 52.02 O ATOM 1263 CB LEU A 78 -0.790 -1.280 -6.950 1.00 52.50 C ATOM 1264 CG LEU A 78 -1.605 -2.440 -6.311 1.00 45.35 C ATOM 1265 CD1 LEU A 78 -1.773 -2.251 -4.787 1.00 24.34 C ATOM 1266 CD2 LEU A 78 -2.969 -2.569 -7.008 1.00 33.22 C ATOM 0 H LEU A 78 1.187 -2.702 -7.592 1.00 5.33 H new ATOM 0 HA LEU A 78 -1.139 -1.988 -8.980 1.00 63.43 H new ATOM 0 HB2 LEU A 78 0.096 -1.106 -6.340 1.00 52.50 H new ATOM 0 HB3 LEU A 78 -1.391 -0.372 -6.905 1.00 52.50 H new ATOM 0 HG LEU A 78 -1.048 -3.366 -6.455 1.00 45.35 H new ATOM 0 HD11 LEU A 78 -2.348 -3.082 -4.378 1.00 24.34 H new ATOM 0 HD12 LEU A 78 -0.792 -2.221 -4.314 1.00 24.34 H new ATOM 0 HD13 LEU A 78 -2.298 -1.316 -4.592 1.00 24.34 H new ATOM 0 HD21 LEU A 78 -3.534 -3.384 -6.555 1.00 33.22 H new ATOM 0 HD22 LEU A 78 -3.524 -1.637 -6.897 1.00 33.22 H new ATOM 0 HD23 LEU A 78 -2.818 -2.778 -8.067 1.00 33.22 H new ATOM 1278 N LYS A 79 1.166 0.375 -8.784 1.00 24.42 N ATOM 1279 CA LYS A 79 1.620 1.698 -9.202 1.00 23.32 C ATOM 1280 C LYS A 79 1.695 1.761 -10.728 1.00 21.01 C ATOM 1281 O LYS A 79 1.121 2.661 -11.347 1.00 72.15 O ATOM 1282 CB LYS A 79 3.013 1.979 -8.569 1.00 61.43 C ATOM 1283 CG LYS A 79 3.443 3.446 -8.557 1.00 0.44 C ATOM 1284 CD LYS A 79 2.495 4.318 -7.701 1.00 14.43 C ATOM 1285 CE LYS A 79 3.105 5.683 -7.406 1.00 4.12 C ATOM 1286 NZ LYS A 79 4.376 5.552 -6.643 1.00 61.21 N ATOM 0 H LYS A 79 1.863 -0.134 -8.240 1.00 24.42 H new ATOM 0 HA LYS A 79 0.916 2.458 -8.863 1.00 23.32 H new ATOM 0 HB2 LYS A 79 3.008 1.611 -7.543 1.00 61.43 H new ATOM 0 HB3 LYS A 79 3.763 1.402 -9.111 1.00 61.43 H new ATOM 0 HG2 LYS A 79 4.458 3.524 -8.168 1.00 0.44 H new ATOM 0 HG3 LYS A 79 3.463 3.827 -9.578 1.00 0.44 H new ATOM 0 HD2 LYS A 79 1.547 4.447 -8.223 1.00 14.43 H new ATOM 0 HD3 LYS A 79 2.275 3.806 -6.764 1.00 14.43 H new ATOM 0 HE2 LYS A 79 3.292 6.210 -8.341 1.00 4.12 H new ATOM 0 HE3 LYS A 79 2.397 6.285 -6.837 1.00 4.12 H new ATOM 0 HZ1 LYS A 79 4.886 6.458 -6.661 1.00 61.21 H new ATOM 0 HZ2 LYS A 79 4.165 5.293 -5.658 1.00 61.21 H new ATOM 0 HZ3 LYS A 79 4.966 4.814 -7.076 1.00 61.21 H new ATOM 1300 N GLY A 80 2.370 0.747 -11.301 1.00 51.40 N ATOM 1301 CA GLY A 80 2.542 0.623 -12.741 1.00 72.13 C ATOM 1302 C GLY A 80 1.220 0.470 -13.483 1.00 53.34 C ATOM 1303 O GLY A 80 0.909 1.281 -14.371 1.00 72.13 O ATOM 0 H GLY A 80 2.808 -0.005 -10.769 1.00 51.40 H new ATOM 0 HA2 GLY A 80 3.065 1.503 -13.117 1.00 72.13 H new ATOM 0 HA3 GLY A 80 3.175 -0.239 -12.954 1.00 72.13 H new ATOM 1307 N LEU A 81 0.425 -0.537 -13.063 1.00 73.14 N ATOM 1308 CA LEU A 81 -0.876 -0.861 -13.668 1.00 2.11 C ATOM 1309 C LEU A 81 -1.804 0.366 -13.655 1.00 64.33 C ATOM 1310 O LEU A 81 -2.228 0.831 -14.709 1.00 71.11 O ATOM 1311 CB LEU A 81 -1.503 -2.082 -12.919 1.00 12.13 C ATOM 1312 CG LEU A 81 -2.912 -2.612 -13.413 1.00 14.40 C ATOM 1313 CD1 LEU A 81 -3.081 -4.118 -13.134 1.00 53.51 C ATOM 1314 CD2 LEU A 81 -4.088 -1.838 -12.773 1.00 3.21 C ATOM 0 H LEU A 81 0.674 -1.151 -12.287 1.00 73.14 H new ATOM 0 HA LEU A 81 -0.737 -1.137 -14.713 1.00 2.11 H new ATOM 0 HB2 LEU A 81 -0.796 -2.909 -12.977 1.00 12.13 H new ATOM 0 HB3 LEU A 81 -1.596 -1.816 -11.866 1.00 12.13 H new ATOM 0 HG LEU A 81 -2.935 -2.443 -14.490 1.00 14.40 H new ATOM 0 HD11 LEU A 81 -4.059 -4.446 -13.486 1.00 53.51 H new ATOM 0 HD12 LEU A 81 -2.302 -4.674 -13.656 1.00 53.51 H new ATOM 0 HD13 LEU A 81 -3.001 -4.301 -12.062 1.00 53.51 H new ATOM 0 HD21 LEU A 81 -5.032 -2.239 -13.143 1.00 3.21 H new ATOM 0 HD22 LEU A 81 -4.048 -1.947 -11.689 1.00 3.21 H new ATOM 0 HD23 LEU A 81 -4.014 -0.782 -13.035 1.00 3.21 H new ATOM 1326 N LEU A 82 -2.052 0.900 -12.449 1.00 71.34 N ATOM 1327 CA LEU A 82 -3.013 1.992 -12.217 1.00 3.54 C ATOM 1328 C LEU A 82 -2.585 3.300 -12.897 1.00 1.44 C ATOM 1329 O LEU A 82 -3.445 4.058 -13.342 1.00 14.43 O ATOM 1330 CB LEU A 82 -3.221 2.182 -10.691 1.00 42.10 C ATOM 1331 CG LEU A 82 -4.025 1.028 -9.996 1.00 64.43 C ATOM 1332 CD1 LEU A 82 -3.828 1.014 -8.470 1.00 32.04 C ATOM 1333 CD2 LEU A 82 -5.513 1.135 -10.351 1.00 52.31 C ATOM 0 H LEU A 82 -1.587 0.583 -11.598 1.00 71.34 H new ATOM 0 HA LEU A 82 -3.963 1.714 -12.673 1.00 3.54 H new ATOM 0 HB2 LEU A 82 -2.246 2.268 -10.212 1.00 42.10 H new ATOM 0 HB3 LEU A 82 -3.743 3.124 -10.523 1.00 42.10 H new ATOM 0 HG LEU A 82 -3.634 0.083 -10.372 1.00 64.43 H new ATOM 0 HD11 LEU A 82 -4.405 0.197 -8.036 1.00 32.04 H new ATOM 0 HD12 LEU A 82 -2.772 0.874 -8.241 1.00 32.04 H new ATOM 0 HD13 LEU A 82 -4.168 1.961 -8.051 1.00 32.04 H new ATOM 0 HD21 LEU A 82 -6.062 0.329 -9.864 1.00 52.31 H new ATOM 0 HD22 LEU A 82 -5.900 2.096 -10.011 1.00 52.31 H new ATOM 0 HD23 LEU A 82 -5.636 1.056 -11.431 1.00 52.31 H new ATOM 1345 N GLN A 83 -1.263 3.549 -12.993 1.00 63.23 N ATOM 1346 CA GLN A 83 -0.737 4.708 -13.742 1.00 74.44 C ATOM 1347 C GLN A 83 -1.108 4.574 -15.236 1.00 0.41 C ATOM 1348 O GLN A 83 -1.665 5.506 -15.825 1.00 14.11 O ATOM 1349 CB GLN A 83 0.802 4.863 -13.533 1.00 11.13 C ATOM 1350 CG GLN A 83 1.473 6.052 -14.286 1.00 14.11 C ATOM 1351 CD GLN A 83 1.847 5.744 -15.746 1.00 1.13 C ATOM 1352 OE1 GLN A 83 2.249 4.628 -16.080 1.00 50.54 O ATOM 1353 NE2 GLN A 83 1.662 6.704 -16.635 1.00 70.22 N ATOM 0 H GLN A 83 -0.544 2.967 -12.564 1.00 63.23 H new ATOM 0 HA GLN A 83 -1.197 5.619 -13.358 1.00 74.44 H new ATOM 0 HB2 GLN A 83 0.995 4.978 -12.466 1.00 11.13 H new ATOM 0 HB3 GLN A 83 1.287 3.939 -13.847 1.00 11.13 H new ATOM 0 HG2 GLN A 83 0.796 6.906 -14.269 1.00 14.11 H new ATOM 0 HG3 GLN A 83 2.373 6.347 -13.747 1.00 14.11 H new ATOM 0 HE21 GLN A 83 1.328 7.620 -16.335 1.00 70.22 H new ATOM 0 HE22 GLN A 83 1.853 6.529 -17.622 1.00 70.22 H new ATOM 1362 N GLN A 84 -0.822 3.383 -15.815 1.00 34.43 N ATOM 1363 CA GLN A 84 -1.081 3.101 -17.247 1.00 52.15 C ATOM 1364 C GLN A 84 -2.591 3.104 -17.569 1.00 0.42 C ATOM 1365 O GLN A 84 -3.005 3.561 -18.641 1.00 22.15 O ATOM 1366 CB GLN A 84 -0.465 1.740 -17.656 1.00 30.35 C ATOM 1367 CG GLN A 84 1.068 1.649 -17.506 1.00 74.22 C ATOM 1368 CD GLN A 84 1.651 0.270 -17.847 1.00 53.31 C ATOM 1369 OE1 GLN A 84 2.634 -0.168 -17.244 1.00 51.13 O ATOM 1370 NE2 GLN A 84 1.082 -0.414 -18.830 1.00 24.13 N ATOM 0 H GLN A 84 -0.410 2.599 -15.309 1.00 34.43 H new ATOM 0 HA GLN A 84 -0.610 3.899 -17.821 1.00 52.15 H new ATOM 0 HB2 GLN A 84 -0.922 0.955 -17.053 1.00 30.35 H new ATOM 0 HB3 GLN A 84 -0.726 1.537 -18.694 1.00 30.35 H new ATOM 0 HG2 GLN A 84 1.530 2.396 -18.151 1.00 74.22 H new ATOM 0 HG3 GLN A 84 1.338 1.902 -16.481 1.00 74.22 H new ATOM 0 HE21 GLN A 84 0.270 -0.031 -19.314 1.00 24.13 H new ATOM 0 HE22 GLN A 84 1.456 -1.323 -19.102 1.00 24.13 H new ATOM 1379 N ARG A 85 -3.407 2.608 -16.618 1.00 63.52 N ATOM 1380 CA ARG A 85 -4.863 2.495 -16.797 1.00 64.54 C ATOM 1381 C ARG A 85 -5.512 3.885 -16.759 1.00 31.50 C ATOM 1382 O ARG A 85 -6.286 4.211 -17.644 1.00 31.23 O ATOM 1383 CB ARG A 85 -5.503 1.554 -15.736 1.00 31.13 C ATOM 1384 CG ARG A 85 -5.067 0.070 -15.835 1.00 5.15 C ATOM 1385 CD ARG A 85 -5.430 -0.593 -17.178 1.00 62.15 C ATOM 1386 NE ARG A 85 -6.885 -0.582 -17.439 1.00 41.50 N ATOM 1387 CZ ARG A 85 -7.654 -1.663 -17.687 1.00 52.24 C ATOM 1388 NH1 ARG A 85 -7.134 -2.892 -17.705 1.00 41.32 N ATOM 1389 NH2 ARG A 85 -8.954 -1.506 -17.916 1.00 54.40 N ATOM 0 H ARG A 85 -3.076 2.277 -15.712 1.00 63.52 H new ATOM 0 HA ARG A 85 -5.046 2.049 -17.775 1.00 64.54 H new ATOM 0 HB2 ARG A 85 -5.252 1.926 -14.743 1.00 31.13 H new ATOM 0 HB3 ARG A 85 -6.588 1.606 -15.832 1.00 31.13 H new ATOM 0 HG2 ARG A 85 -3.989 0.007 -15.688 1.00 5.15 H new ATOM 0 HG3 ARG A 85 -5.533 -0.491 -15.025 1.00 5.15 H new ATOM 0 HD2 ARG A 85 -4.915 -0.074 -17.987 1.00 62.15 H new ATOM 0 HD3 ARG A 85 -5.071 -1.622 -17.180 1.00 62.15 H new ATOM 0 HE ARG A 85 -7.350 0.326 -17.431 1.00 41.50 H new ATOM 0 HH11 ARG A 85 -6.138 -3.027 -17.529 1.00 41.32 H new ATOM 0 HH12 ARG A 85 -7.732 -3.696 -17.894 1.00 41.32 H new ATOM 0 HH21 ARG A 85 -9.365 -0.573 -17.904 1.00 54.40 H new ATOM 0 HH22 ARG A 85 -9.541 -2.319 -18.104 1.00 54.40 H new ATOM 1403 N LEU A 86 -5.154 4.709 -15.747 1.00 31.12 N ATOM 1404 CA LEU A 86 -5.653 6.105 -15.633 1.00 75.24 C ATOM 1405 C LEU A 86 -5.176 6.969 -16.814 1.00 53.10 C ATOM 1406 O LEU A 86 -5.878 7.896 -17.226 1.00 22.30 O ATOM 1407 CB LEU A 86 -5.199 6.747 -14.294 1.00 10.21 C ATOM 1408 CG LEU A 86 -5.837 6.149 -13.001 1.00 11.40 C ATOM 1409 CD1 LEU A 86 -5.172 6.734 -11.736 1.00 23.32 C ATOM 1410 CD2 LEU A 86 -7.370 6.357 -12.987 1.00 2.54 C ATOM 0 H LEU A 86 -4.521 4.434 -14.996 1.00 31.12 H new ATOM 0 HA LEU A 86 -6.742 6.063 -15.654 1.00 75.24 H new ATOM 0 HB2 LEU A 86 -4.116 6.654 -14.218 1.00 10.21 H new ATOM 0 HB3 LEU A 86 -5.426 7.813 -14.329 1.00 10.21 H new ATOM 0 HG LEU A 86 -5.655 5.074 -13.001 1.00 11.40 H new ATOM 0 HD11 LEU A 86 -5.634 6.301 -10.849 1.00 23.32 H new ATOM 0 HD12 LEU A 86 -4.108 6.498 -11.742 1.00 23.32 H new ATOM 0 HD13 LEU A 86 -5.304 7.816 -11.723 1.00 23.32 H new ATOM 0 HD21 LEU A 86 -7.787 5.930 -12.075 1.00 2.54 H new ATOM 0 HD22 LEU A 86 -7.593 7.423 -13.024 1.00 2.54 H new ATOM 0 HD23 LEU A 86 -7.812 5.864 -13.853 1.00 2.54 H new ATOM 1422 N ASP A 87 -3.981 6.638 -17.337 1.00 13.21 N ATOM 1423 CA ASP A 87 -3.410 7.258 -18.547 1.00 4.44 C ATOM 1424 C ASP A 87 -4.362 7.048 -19.742 1.00 52.21 C ATOM 1425 O ASP A 87 -4.835 8.019 -20.369 1.00 21.21 O ATOM 1426 CB ASP A 87 -2.019 6.623 -18.838 1.00 2.23 C ATOM 1427 CG ASP A 87 -1.262 7.262 -20.015 1.00 50.32 C ATOM 1428 OD1 ASP A 87 -1.471 6.850 -21.182 1.00 35.42 O ATOM 1429 OD2 ASP A 87 -0.436 8.155 -19.773 1.00 21.31 O ATOM 0 H ASP A 87 -3.378 5.925 -16.927 1.00 13.21 H new ATOM 0 HA ASP A 87 -3.287 8.330 -18.390 1.00 4.44 H new ATOM 0 HB2 ASP A 87 -1.404 6.700 -17.942 1.00 2.23 H new ATOM 0 HB3 ASP A 87 -2.154 5.561 -19.042 1.00 2.23 H new ATOM 1434 N GLU A 88 -4.688 5.760 -19.983 1.00 42.13 N ATOM 1435 CA GLU A 88 -5.625 5.349 -21.040 1.00 10.54 C ATOM 1436 C GLU A 88 -6.996 6.014 -20.846 1.00 45.13 C ATOM 1437 O GLU A 88 -7.500 6.634 -21.768 1.00 61.40 O ATOM 1438 CB GLU A 88 -5.797 3.817 -21.052 1.00 14.41 C ATOM 1439 CG GLU A 88 -4.527 3.028 -21.408 1.00 75.40 C ATOM 1440 CD GLU A 88 -4.739 1.519 -21.302 1.00 22.00 C ATOM 1441 OE1 GLU A 88 -5.222 0.909 -22.282 1.00 60.34 O ATOM 1442 OE2 GLU A 88 -4.439 0.936 -20.237 1.00 64.51 O ATOM 0 H GLU A 88 -4.307 4.979 -19.448 1.00 42.13 H new ATOM 0 HA GLU A 88 -5.207 5.670 -21.994 1.00 10.54 H new ATOM 0 HB2 GLU A 88 -6.143 3.497 -20.069 1.00 14.41 H new ATOM 0 HB3 GLU A 88 -6.580 3.559 -21.765 1.00 14.41 H new ATOM 0 HG2 GLU A 88 -4.217 3.280 -22.422 1.00 75.40 H new ATOM 0 HG3 GLU A 88 -3.717 3.327 -20.743 1.00 75.40 H new ATOM 1449 N LEU A 89 -7.534 5.922 -19.608 1.00 33.43 N ATOM 1450 CA LEU A 89 -8.878 6.423 -19.252 1.00 20.23 C ATOM 1451 C LEU A 89 -9.022 7.923 -19.554 1.00 55.22 C ATOM 1452 O LEU A 89 -10.001 8.329 -20.174 1.00 74.45 O ATOM 1453 CB LEU A 89 -9.210 6.127 -17.756 1.00 1.24 C ATOM 1454 CG LEU A 89 -9.369 4.617 -17.384 1.00 31.02 C ATOM 1455 CD1 LEU A 89 -9.635 4.427 -15.876 1.00 2.35 C ATOM 1456 CD2 LEU A 89 -10.461 3.950 -18.244 1.00 4.45 C ATOM 0 H LEU A 89 -7.042 5.494 -18.823 1.00 33.43 H new ATOM 0 HA LEU A 89 -9.597 5.889 -19.874 1.00 20.23 H new ATOM 0 HB2 LEU A 89 -8.421 6.554 -17.136 1.00 1.24 H new ATOM 0 HB3 LEU A 89 -10.134 6.645 -17.498 1.00 1.24 H new ATOM 0 HG LEU A 89 -8.424 4.120 -17.604 1.00 31.02 H new ATOM 0 HD11 LEU A 89 -9.740 3.365 -15.656 1.00 2.35 H new ATOM 0 HD12 LEU A 89 -8.801 4.835 -15.305 1.00 2.35 H new ATOM 0 HD13 LEU A 89 -10.552 4.947 -15.600 1.00 2.35 H new ATOM 0 HD21 LEU A 89 -10.552 2.900 -17.966 1.00 4.45 H new ATOM 0 HD22 LEU A 89 -11.413 4.454 -18.078 1.00 4.45 H new ATOM 0 HD23 LEU A 89 -10.191 4.024 -19.297 1.00 4.45 H new ATOM 1468 N SER A 90 -8.006 8.716 -19.176 1.00 53.42 N ATOM 1469 CA SER A 90 -7.984 10.168 -19.440 1.00 72.12 C ATOM 1470 C SER A 90 -7.893 10.453 -20.956 1.00 41.21 C ATOM 1471 O SER A 90 -8.496 11.416 -21.450 1.00 53.33 O ATOM 1472 CB SER A 90 -6.811 10.822 -18.687 1.00 30.22 C ATOM 1473 OG SER A 90 -6.917 10.585 -17.294 1.00 32.44 O ATOM 0 H SER A 90 -7.182 8.374 -18.682 1.00 53.42 H new ATOM 0 HA SER A 90 -8.916 10.601 -19.078 1.00 72.12 H new ATOM 0 HB2 SER A 90 -5.867 10.424 -19.058 1.00 30.22 H new ATOM 0 HB3 SER A 90 -6.802 11.895 -18.879 1.00 30.22 H new ATOM 0 HG SER A 90 -6.596 9.682 -17.090 1.00 32.44 H new ATOM 1819 N MET A1001 -13.254 8.286 -9.167 1.00 14.25 N ATOM 1820 CA MET A1001 -12.285 7.355 -9.769 1.00 71.04 C ATOM 1821 C MET A1001 -10.895 8.011 -9.913 1.00 21.43 C ATOM 1822 O MET A1001 -9.956 7.637 -9.207 1.00 44.54 O ATOM 1823 CB MET A1001 -12.791 6.862 -11.157 1.00 21.55 C ATOM 1824 CG MET A1001 -11.866 5.846 -11.850 1.00 61.54 C ATOM 1825 SD MET A1001 -12.450 5.355 -13.488 1.00 33.22 S ATOM 1826 CE MET A1001 -12.383 6.893 -14.408 1.00 3.01 C ATOM 0 HA MET A1001 -12.189 6.498 -9.103 1.00 71.04 H new ATOM 0 HB2 MET A1001 -13.775 6.411 -11.031 1.00 21.55 H new ATOM 0 HB3 MET A1001 -12.917 7.725 -11.811 1.00 21.55 H new ATOM 0 HG2 MET A1001 -10.868 6.275 -11.941 1.00 61.54 H new ATOM 0 HG3 MET A1001 -11.776 4.959 -11.222 1.00 61.54 H new ATOM 0 HE1 MET A1001 -12.667 6.710 -15.444 1.00 3.01 H new ATOM 0 HE2 MET A1001 -13.071 7.613 -13.965 1.00 3.01 H new ATOM 0 HE3 MET A1001 -11.369 7.293 -14.375 1.00 3.01 H new ATOM 1836 N THR A1002 -10.804 9.040 -10.769 1.00 35.14 N ATOM 1837 CA THR A1002 -9.528 9.667 -11.123 1.00 24.35 C ATOM 1838 C THR A1002 -8.931 10.445 -9.943 1.00 33.21 C ATOM 1839 O THR A1002 -7.752 10.274 -9.654 1.00 42.54 O ATOM 1840 CB THR A1002 -9.670 10.600 -12.371 1.00 43.14 C ATOM 1841 OG1 THR A1002 -10.710 11.568 -12.151 1.00 71.03 O ATOM 1842 CG2 THR A1002 -9.975 9.796 -13.650 1.00 11.23 C ATOM 0 H THR A1002 -11.611 9.457 -11.232 1.00 35.14 H new ATOM 0 HA THR A1002 -8.843 8.859 -11.378 1.00 24.35 H new ATOM 0 HB THR A1002 -8.717 11.110 -12.510 1.00 43.14 H new ATOM 0 HG1 THR A1002 -10.789 12.148 -12.937 1.00 71.03 H new ATOM 0 HG21 THR A1002 -10.067 10.478 -14.495 1.00 11.23 H new ATOM 0 HG22 THR A1002 -9.165 9.091 -13.839 1.00 11.23 H new ATOM 0 HG23 THR A1002 -10.909 9.249 -13.522 1.00 11.23 H new ATOM 1850 N THR A1003 -9.748 11.259 -9.239 1.00 61.02 N ATOM 1851 CA THR A1003 -9.249 12.108 -8.141 1.00 73.42 C ATOM 1852 C THR A1003 -8.706 11.262 -6.968 1.00 63.32 C ATOM 1853 O THR A1003 -7.577 11.498 -6.504 1.00 41.01 O ATOM 1854 CB THR A1003 -10.343 13.097 -7.644 1.00 52.15 C ATOM 1855 OG1 THR A1003 -10.802 13.886 -8.754 1.00 34.12 O ATOM 1856 CG2 THR A1003 -9.836 14.039 -6.536 1.00 33.53 C ATOM 0 H THR A1003 -10.750 11.344 -9.412 1.00 61.02 H new ATOM 0 HA THR A1003 -8.421 12.693 -8.542 1.00 73.42 H new ATOM 0 HB THR A1003 -11.152 12.501 -7.221 1.00 52.15 H new ATOM 0 HG1 THR A1003 -11.493 14.510 -8.448 1.00 34.12 H new ATOM 0 HG21 THR A1003 -10.642 14.706 -6.229 1.00 33.53 H new ATOM 0 HG22 THR A1003 -9.506 13.450 -5.680 1.00 33.53 H new ATOM 0 HG23 THR A1003 -9.001 14.629 -6.914 1.00 33.53 H new ATOM 1864 N ARG A1004 -9.493 10.249 -6.520 1.00 2.11 N ATOM 1865 CA ARG A1004 -9.077 9.391 -5.395 1.00 41.31 C ATOM 1866 C ARG A1004 -7.891 8.508 -5.789 1.00 61.52 C ATOM 1867 O ARG A1004 -7.013 8.311 -4.971 1.00 21.11 O ATOM 1868 CB ARG A1004 -10.230 8.506 -4.855 1.00 44.11 C ATOM 1869 CG ARG A1004 -11.382 9.281 -4.180 1.00 2.21 C ATOM 1870 CD ARG A1004 -12.509 8.350 -3.698 1.00 32.22 C ATOM 1871 NE ARG A1004 -13.610 9.094 -3.063 1.00 23.44 N ATOM 1872 CZ ARG A1004 -14.520 8.572 -2.225 1.00 45.20 C ATOM 1873 NH1 ARG A1004 -14.486 7.279 -1.891 1.00 55.10 N ATOM 1874 NH2 ARG A1004 -15.464 9.358 -1.717 1.00 14.23 N ATOM 0 H ARG A1004 -10.403 10.014 -6.917 1.00 2.11 H new ATOM 0 HA ARG A1004 -8.778 10.066 -4.593 1.00 41.31 H new ATOM 0 HB2 ARG A1004 -10.638 7.923 -5.680 1.00 44.11 H new ATOM 0 HB3 ARG A1004 -9.819 7.797 -4.137 1.00 44.11 H new ATOM 0 HG2 ARG A1004 -10.991 9.843 -3.332 1.00 2.21 H new ATOM 0 HG3 ARG A1004 -11.790 10.007 -4.883 1.00 2.21 H new ATOM 0 HD2 ARG A1004 -12.896 7.783 -4.544 1.00 32.22 H new ATOM 0 HD3 ARG A1004 -12.104 7.628 -2.989 1.00 32.22 H new ATOM 0 HE ARG A1004 -13.688 10.088 -3.278 1.00 23.44 H new ATOM 0 HH11 ARG A1004 -13.761 6.672 -2.274 1.00 55.10 H new ATOM 0 HH12 ARG A1004 -15.185 6.899 -1.253 1.00 55.10 H new ATOM 0 HH21 ARG A1004 -15.492 10.347 -1.965 1.00 14.23 H new ATOM 0 HH22 ARG A1004 -16.160 8.972 -1.079 1.00 14.23 H new ATOM 1888 N LEU A1005 -7.869 7.990 -7.043 1.00 21.23 N ATOM 1889 CA LEU A1005 -6.772 7.101 -7.505 1.00 21.20 C ATOM 1890 C LEU A1005 -5.455 7.869 -7.750 1.00 43.12 C ATOM 1891 O LEU A1005 -4.394 7.308 -7.525 1.00 52.31 O ATOM 1892 CB LEU A1005 -7.176 6.269 -8.759 1.00 44.03 C ATOM 1893 CG LEU A1005 -8.137 5.051 -8.524 1.00 2.55 C ATOM 1894 CD1 LEU A1005 -8.459 4.339 -9.860 1.00 14.32 C ATOM 1895 CD2 LEU A1005 -7.544 4.060 -7.495 1.00 63.41 C ATOM 0 H LEU A1005 -8.588 8.169 -7.744 1.00 21.23 H new ATOM 0 HA LEU A1005 -6.591 6.400 -6.690 1.00 21.20 H new ATOM 0 HB2 LEU A1005 -7.650 6.942 -9.474 1.00 44.03 H new ATOM 0 HB3 LEU A1005 -6.265 5.897 -9.227 1.00 44.03 H new ATOM 0 HG LEU A1005 -9.070 5.435 -8.112 1.00 2.55 H new ATOM 0 HD11 LEU A1005 -9.127 3.498 -9.672 1.00 14.32 H new ATOM 0 HD12 LEU A1005 -8.942 5.041 -10.539 1.00 14.32 H new ATOM 0 HD13 LEU A1005 -7.535 3.976 -10.310 1.00 14.32 H new ATOM 0 HD21 LEU A1005 -8.233 3.227 -7.353 1.00 63.41 H new ATOM 0 HD22 LEU A1005 -6.589 3.683 -7.861 1.00 63.41 H new ATOM 0 HD23 LEU A1005 -7.392 4.571 -6.544 1.00 63.41 H new ATOM 1907 N THR A1006 -5.513 9.144 -8.194 1.00 64.22 N ATOM 1908 CA THR A1006 -4.288 9.972 -8.374 1.00 13.32 C ATOM 1909 C THR A1006 -3.719 10.369 -6.995 1.00 4.00 C ATOM 1910 O THR A1006 -2.498 10.328 -6.775 1.00 53.44 O ATOM 1911 CB THR A1006 -4.546 11.253 -9.242 1.00 43.51 C ATOM 1912 OG1 THR A1006 -5.640 12.013 -8.695 1.00 14.11 O ATOM 1913 CG2 THR A1006 -4.844 10.908 -10.720 1.00 43.21 C ATOM 0 H THR A1006 -6.381 9.623 -8.433 1.00 64.22 H new ATOM 0 HA THR A1006 -3.562 9.364 -8.915 1.00 13.32 H new ATOM 0 HB THR A1006 -3.632 11.847 -9.216 1.00 43.51 H new ATOM 0 HG1 THR A1006 -6.487 11.574 -8.919 1.00 14.11 H new ATOM 0 HG21 THR A1006 -5.016 11.827 -11.281 1.00 43.21 H new ATOM 0 HG22 THR A1006 -3.995 10.375 -11.148 1.00 43.21 H new ATOM 0 HG23 THR A1006 -5.732 10.278 -10.775 1.00 43.21 H new ATOM 1921 N ARG A1007 -4.634 10.721 -6.068 1.00 30.20 N ATOM 1922 CA ARG A1007 -4.304 10.994 -4.653 1.00 62.14 C ATOM 1923 C ARG A1007 -3.755 9.722 -3.969 1.00 15.05 C ATOM 1924 O ARG A1007 -2.839 9.784 -3.143 1.00 34.32 O ATOM 1925 CB ARG A1007 -5.572 11.504 -3.933 1.00 2.45 C ATOM 1926 CG ARG A1007 -5.396 11.876 -2.442 1.00 31.23 C ATOM 1927 CD ARG A1007 -6.672 12.505 -1.858 1.00 35.34 C ATOM 1928 NE ARG A1007 -7.079 13.709 -2.614 1.00 31.14 N ATOM 1929 CZ ARG A1007 -8.192 14.429 -2.407 1.00 24.01 C ATOM 1930 NH1 ARG A1007 -9.062 14.101 -1.451 1.00 51.35 N ATOM 1931 NH2 ARG A1007 -8.429 15.489 -3.174 1.00 64.24 N ATOM 0 H ARG A1007 -5.626 10.824 -6.280 1.00 30.20 H new ATOM 0 HA ARG A1007 -3.528 11.758 -4.599 1.00 62.14 H new ATOM 0 HB2 ARG A1007 -5.941 12.380 -4.465 1.00 2.45 H new ATOM 0 HB3 ARG A1007 -6.343 10.737 -4.008 1.00 2.45 H new ATOM 0 HG2 ARG A1007 -5.137 10.984 -1.872 1.00 31.23 H new ATOM 0 HG3 ARG A1007 -4.565 12.574 -2.337 1.00 31.23 H new ATOM 0 HD2 ARG A1007 -7.480 11.773 -1.875 1.00 35.34 H new ATOM 0 HD3 ARG A1007 -6.503 12.770 -0.814 1.00 35.34 H new ATOM 0 HE ARG A1007 -6.457 14.020 -3.360 1.00 31.14 H new ATOM 0 HH11 ARG A1007 -8.888 13.288 -0.860 1.00 51.35 H new ATOM 0 HH12 ARG A1007 -9.902 14.663 -1.311 1.00 51.35 H new ATOM 0 HH21 ARG A1007 -7.769 15.745 -3.908 1.00 64.24 H new ATOM 0 HH22 ARG A1007 -9.271 16.046 -3.028 1.00 64.24 H new ATOM 1945 N TRP A1008 -4.318 8.574 -4.368 1.00 72.43 N ATOM 1946 CA TRP A1008 -3.905 7.243 -3.896 1.00 62.05 C ATOM 1947 C TRP A1008 -2.493 6.936 -4.390 1.00 13.13 C ATOM 1948 O TRP A1008 -1.670 6.507 -3.601 1.00 33.03 O ATOM 1949 CB TRP A1008 -4.975 6.183 -4.342 1.00 4.54 C ATOM 1950 CG TRP A1008 -4.501 4.789 -4.707 1.00 5.14 C ATOM 1951 CD1 TRP A1008 -4.083 4.368 -5.934 1.00 2.45 C ATOM 1952 CD2 TRP A1008 -4.468 3.631 -3.863 1.00 44.34 C ATOM 1953 NE1 TRP A1008 -3.770 3.043 -5.895 1.00 14.11 N ATOM 1954 CE2 TRP A1008 -4.003 2.562 -4.644 1.00 24.13 C ATOM 1955 CE3 TRP A1008 -4.781 3.396 -2.527 1.00 25.41 C ATOM 1956 CZ2 TRP A1008 -3.853 1.277 -4.138 1.00 10.11 C ATOM 1957 CZ3 TRP A1008 -4.627 2.125 -2.021 1.00 53.41 C ATOM 1958 CH2 TRP A1008 -4.168 1.079 -2.827 1.00 40.31 C ATOM 0 H TRP A1008 -5.086 8.542 -5.039 1.00 72.43 H new ATOM 0 HA TRP A1008 -3.861 7.209 -2.807 1.00 62.05 H new ATOM 0 HB2 TRP A1008 -5.702 6.086 -3.536 1.00 4.54 H new ATOM 0 HB3 TRP A1008 -5.506 6.589 -5.203 1.00 4.54 H new ATOM 0 HD1 TRP A1008 -4.010 4.995 -6.811 1.00 2.45 H new ATOM 0 HE1 TRP A1008 -3.416 2.497 -6.681 1.00 14.11 H new ATOM 0 HE3 TRP A1008 -5.139 4.198 -1.898 1.00 25.41 H new ATOM 0 HZ2 TRP A1008 -3.501 0.467 -4.759 1.00 10.11 H new ATOM 0 HZ3 TRP A1008 -4.865 1.933 -0.985 1.00 53.41 H new ATOM 0 HH2 TRP A1008 -4.061 0.092 -2.401 1.00 40.31 H new ATOM 1969 N LEU A1009 -2.211 7.226 -5.686 1.00 52.33 N ATOM 1970 CA LEU A1009 -0.896 6.951 -6.299 1.00 73.32 C ATOM 1971 C LEU A1009 0.196 7.842 -5.666 1.00 23.21 C ATOM 1972 O LEU A1009 1.304 7.369 -5.440 1.00 5.23 O ATOM 1973 CB LEU A1009 -0.927 7.132 -7.853 1.00 54.33 C ATOM 1974 CG LEU A1009 -1.788 6.110 -8.682 1.00 25.51 C ATOM 1975 CD1 LEU A1009 -1.776 6.452 -10.190 1.00 41.12 C ATOM 1976 CD2 LEU A1009 -1.345 4.650 -8.450 1.00 70.44 C ATOM 0 H LEU A1009 -2.883 7.652 -6.324 1.00 52.33 H new ATOM 0 HA LEU A1009 -0.654 5.907 -6.099 1.00 73.32 H new ATOM 0 HB2 LEU A1009 -1.295 8.135 -8.068 1.00 54.33 H new ATOM 0 HB3 LEU A1009 0.099 7.083 -8.219 1.00 54.33 H new ATOM 0 HG LEU A1009 -2.812 6.201 -8.320 1.00 25.51 H new ATOM 0 HD11 LEU A1009 -2.381 5.725 -10.733 1.00 41.12 H new ATOM 0 HD12 LEU A1009 -2.187 7.450 -10.340 1.00 41.12 H new ATOM 0 HD13 LEU A1009 -0.752 6.421 -10.562 1.00 41.12 H new ATOM 0 HD21 LEU A1009 -1.969 3.982 -9.044 1.00 70.44 H new ATOM 0 HD22 LEU A1009 -0.303 4.534 -8.748 1.00 70.44 H new ATOM 0 HD23 LEU A1009 -1.450 4.401 -7.394 1.00 70.44 H new ATOM 1988 N THR A1010 -0.118 9.121 -5.347 1.00 51.33 N ATOM 1989 CA THR A1010 0.868 10.013 -4.687 1.00 1.33 C ATOM 1990 C THR A1010 1.024 9.645 -3.193 1.00 4.31 C ATOM 1991 O THR A1010 2.063 9.926 -2.596 1.00 51.43 O ATOM 1992 CB THR A1010 0.546 11.541 -4.867 1.00 5.24 C ATOM 1993 OG1 THR A1010 1.661 12.350 -4.430 1.00 32.32 O ATOM 1994 CG2 THR A1010 -0.711 11.988 -4.107 1.00 74.12 C ATOM 0 H THR A1010 -1.024 9.551 -5.530 1.00 51.33 H new ATOM 0 HA THR A1010 1.820 9.848 -5.191 1.00 1.33 H new ATOM 0 HB THR A1010 0.362 11.683 -5.932 1.00 5.24 H new ATOM 0 HG1 THR A1010 1.444 13.298 -4.550 1.00 32.32 H new ATOM 0 HG21 THR A1010 -0.877 13.052 -4.273 1.00 74.12 H new ATOM 0 HG22 THR A1010 -1.573 11.426 -4.467 1.00 74.12 H new ATOM 0 HG23 THR A1010 -0.577 11.804 -3.041 1.00 74.12 H new ATOM 2002 N ALA A1011 -0.013 9.004 -2.606 1.00 32.42 N ATOM 2003 CA ALA A1011 0.063 8.434 -1.243 1.00 13.20 C ATOM 2004 C ALA A1011 0.839 7.096 -1.236 1.00 4.41 C ATOM 2005 O ALA A1011 1.447 6.734 -0.223 1.00 62.40 O ATOM 2006 CB ALA A1011 -1.345 8.259 -0.666 1.00 3.54 C ATOM 0 H ALA A1011 -0.917 8.869 -3.059 1.00 32.42 H new ATOM 0 HA ALA A1011 0.613 9.130 -0.610 1.00 13.20 H new ATOM 0 HB1 ALA A1011 -1.277 7.839 0.337 1.00 3.54 H new ATOM 0 HB2 ALA A1011 -1.843 9.228 -0.621 1.00 3.54 H new ATOM 0 HB3 ALA A1011 -1.918 7.586 -1.303 1.00 3.54 H new ATOM 2012 N LEU A1012 0.815 6.377 -2.384 1.00 31.35 N ATOM 2013 CA LEU A1012 1.627 5.160 -2.589 1.00 3.45 C ATOM 2014 C LEU A1012 3.091 5.567 -2.750 1.00 53.51 C ATOM 2015 O LEU A1012 3.989 4.918 -2.242 1.00 11.50 O ATOM 2016 CB LEU A1012 1.201 4.360 -3.864 1.00 1.32 C ATOM 2017 CG LEU A1012 -0.256 3.797 -3.931 1.00 31.15 C ATOM 2018 CD1 LEU A1012 -0.417 2.831 -5.129 1.00 60.24 C ATOM 2019 CD2 LEU A1012 -0.689 3.142 -2.603 1.00 4.43 C ATOM 0 H LEU A1012 0.236 6.624 -3.186 1.00 31.35 H new ATOM 0 HA LEU A1012 1.476 4.518 -1.721 1.00 3.45 H new ATOM 0 HB2 LEU A1012 1.347 5.008 -4.728 1.00 1.32 H new ATOM 0 HB3 LEU A1012 1.888 3.521 -3.975 1.00 1.32 H new ATOM 0 HG LEU A1012 -0.927 4.641 -4.090 1.00 31.15 H new ATOM 0 HD11 LEU A1012 -1.438 2.452 -5.156 1.00 60.24 H new ATOM 0 HD12 LEU A1012 -0.203 3.362 -6.056 1.00 60.24 H new ATOM 0 HD13 LEU A1012 0.277 1.997 -5.020 1.00 60.24 H new ATOM 0 HD21 LEU A1012 -1.708 2.766 -2.698 1.00 4.43 H new ATOM 0 HD22 LEU A1012 -0.017 2.316 -2.369 1.00 4.43 H new ATOM 0 HD23 LEU A1012 -0.648 3.881 -1.803 1.00 4.43 H new ATOM 2031 N ASP A1013 3.293 6.677 -3.475 1.00 44.14 N ATOM 2032 CA ASP A1013 4.618 7.236 -3.774 1.00 53.42 C ATOM 2033 C ASP A1013 5.244 7.814 -2.496 1.00 65.51 C ATOM 2034 O ASP A1013 6.460 7.728 -2.292 1.00 54.40 O ATOM 2035 CB ASP A1013 4.480 8.329 -4.872 1.00 72.25 C ATOM 2036 CG ASP A1013 5.811 8.687 -5.551 1.00 73.45 C ATOM 2037 OD1 ASP A1013 6.304 7.870 -6.363 1.00 42.32 O ATOM 2038 OD2 ASP A1013 6.360 9.778 -5.294 1.00 41.10 O ATOM 0 H ASP A1013 2.528 7.219 -3.876 1.00 44.14 H new ATOM 0 HA ASP A1013 5.275 6.449 -4.145 1.00 53.42 H new ATOM 0 HB2 ASP A1013 3.776 7.985 -5.630 1.00 72.25 H new ATOM 0 HB3 ASP A1013 4.055 9.228 -4.427 1.00 72.25 H new ATOM 2043 N ASN A1014 4.376 8.395 -1.641 1.00 53.35 N ATOM 2044 CA ASN A1014 4.754 8.906 -0.317 1.00 35.43 C ATOM 2045 C ASN A1014 5.165 7.757 0.604 1.00 43.45 C ATOM 2046 O ASN A1014 6.189 7.849 1.272 1.00 41.03 O ATOM 2047 CB ASN A1014 3.595 9.713 0.321 1.00 31.14 C ATOM 2048 CG ASN A1014 3.899 10.175 1.753 1.00 44.33 C ATOM 2049 OD1 ASN A1014 4.535 11.203 1.965 1.00 42.10 O ATOM 2050 ND2 ASN A1014 3.448 9.416 2.740 1.00 42.31 N ATOM 0 H ASN A1014 3.387 8.521 -1.857 1.00 53.35 H new ATOM 0 HA ASN A1014 5.605 9.575 -0.447 1.00 35.43 H new ATOM 0 HB2 ASN A1014 3.383 10.585 -0.298 1.00 31.14 H new ATOM 0 HB3 ASN A1014 2.694 9.100 0.327 1.00 31.14 H new ATOM 0 HD21 ASN A1014 3.626 9.680 3.709 1.00 42.31 H new ATOM 0 HD22 ASN A1014 2.922 8.567 2.531 1.00 42.31 H new ATOM 2057 N PHE A1015 4.347 6.682 0.630 1.00 44.11 N ATOM 2058 CA PHE A1015 4.637 5.479 1.424 1.00 23.32 C ATOM 2059 C PHE A1015 5.993 4.902 1.017 1.00 61.32 C ATOM 2060 O PHE A1015 6.873 4.789 1.851 1.00 25.20 O ATOM 2061 CB PHE A1015 3.520 4.426 1.247 1.00 52.14 C ATOM 2062 CG PHE A1015 3.858 3.053 1.834 1.00 54.24 C ATOM 2063 CD1 PHE A1015 4.090 1.967 1.005 1.00 12.13 C ATOM 2064 CD2 PHE A1015 3.966 2.861 3.207 1.00 1.21 C ATOM 2065 CE1 PHE A1015 4.404 0.737 1.514 1.00 3.34 C ATOM 2066 CE2 PHE A1015 4.278 1.624 3.727 1.00 5.51 C ATOM 2067 CZ PHE A1015 4.498 0.561 2.878 1.00 72.41 C ATOM 0 H PHE A1015 3.475 6.628 0.104 1.00 44.11 H new ATOM 0 HA PHE A1015 4.675 5.754 2.478 1.00 23.32 H new ATOM 0 HB2 PHE A1015 2.609 4.796 1.717 1.00 52.14 H new ATOM 0 HB3 PHE A1015 3.307 4.313 0.184 1.00 52.14 H new ATOM 0 HD1 PHE A1015 4.021 2.095 -0.065 1.00 12.13 H new ATOM 0 HD2 PHE A1015 3.803 3.694 3.875 1.00 1.21 H new ATOM 0 HE1 PHE A1015 4.578 -0.095 0.848 1.00 3.34 H new ATOM 0 HE2 PHE A1015 4.350 1.488 4.796 1.00 5.51 H new ATOM 0 HZ PHE A1015 4.744 -0.410 3.281 1.00 72.41 H new ATOM 2077 N GLU A1016 6.116 4.588 -0.281 1.00 11.04 N ATOM 2078 CA GLU A1016 7.350 4.124 -0.932 1.00 73.13 C ATOM 2079 C GLU A1016 8.595 4.920 -0.466 1.00 43.21 C ATOM 2080 O GLU A1016 9.536 4.338 0.098 1.00 41.11 O ATOM 2081 CB GLU A1016 7.151 4.253 -2.468 1.00 22.40 C ATOM 2082 CG GLU A1016 8.368 3.889 -3.346 1.00 42.34 C ATOM 2083 CD GLU A1016 8.821 2.423 -3.225 1.00 21.41 C ATOM 2084 OE1 GLU A1016 8.284 1.559 -3.957 1.00 4.34 O ATOM 2085 OE2 GLU A1016 9.746 2.138 -2.432 1.00 70.34 O ATOM 0 H GLU A1016 5.331 4.652 -0.929 1.00 11.04 H new ATOM 0 HA GLU A1016 7.536 3.087 -0.654 1.00 73.13 H new ATOM 0 HB2 GLU A1016 6.315 3.617 -2.760 1.00 22.40 H new ATOM 0 HB3 GLU A1016 6.863 5.280 -2.691 1.00 22.40 H new ATOM 0 HG2 GLU A1016 8.125 4.097 -4.388 1.00 42.34 H new ATOM 0 HG3 GLU A1016 9.202 4.538 -3.078 1.00 42.34 H new ATOM 2092 N ALA A1017 8.538 6.256 -0.639 1.00 23.34 N ATOM 2093 CA ALA A1017 9.641 7.167 -0.294 1.00 35.13 C ATOM 2094 C ALA A1017 9.999 7.101 1.209 1.00 11.23 C ATOM 2095 O ALA A1017 11.111 6.697 1.574 1.00 60.12 O ATOM 2096 CB ALA A1017 9.274 8.601 -0.701 1.00 72.33 C ATOM 0 H ALA A1017 7.722 6.732 -1.023 1.00 23.34 H new ATOM 0 HA ALA A1017 10.526 6.849 -0.846 1.00 35.13 H new ATOM 0 HB1 ALA A1017 10.093 9.273 -0.444 1.00 72.33 H new ATOM 0 HB2 ALA A1017 9.096 8.640 -1.776 1.00 72.33 H new ATOM 0 HB3 ALA A1017 8.372 8.910 -0.173 1.00 72.33 H new ATOM 2102 N LYS A1018 9.011 7.425 2.059 1.00 71.51 N ATOM 2103 CA LYS A1018 9.209 7.612 3.511 1.00 32.12 C ATOM 2104 C LYS A1018 9.519 6.277 4.233 1.00 73.30 C ATOM 2105 O LYS A1018 10.239 6.261 5.244 1.00 12.31 O ATOM 2106 CB LYS A1018 7.953 8.295 4.124 1.00 52.23 C ATOM 2107 CG LYS A1018 7.570 9.651 3.475 1.00 34.23 C ATOM 2108 CD LYS A1018 8.629 10.752 3.700 1.00 14.32 C ATOM 2109 CE LYS A1018 8.354 12.015 2.868 1.00 21.42 C ATOM 2110 NZ LYS A1018 6.983 12.565 3.077 1.00 4.52 N ATOM 0 H LYS A1018 8.046 7.566 1.759 1.00 71.51 H new ATOM 0 HA LYS A1018 10.077 8.255 3.655 1.00 32.12 H new ATOM 0 HB2 LYS A1018 7.107 7.614 4.036 1.00 52.23 H new ATOM 0 HB3 LYS A1018 8.126 8.453 5.189 1.00 52.23 H new ATOM 0 HG2 LYS A1018 7.427 9.507 2.404 1.00 34.23 H new ATOM 0 HG3 LYS A1018 6.616 9.985 3.882 1.00 34.23 H new ATOM 0 HD2 LYS A1018 8.654 11.016 4.757 1.00 14.32 H new ATOM 0 HD3 LYS A1018 9.614 10.361 3.445 1.00 14.32 H new ATOM 0 HE2 LYS A1018 9.088 12.779 3.124 1.00 21.42 H new ATOM 0 HE3 LYS A1018 8.489 11.784 1.811 1.00 21.42 H new ATOM 0 HZ1 LYS A1018 6.927 13.521 2.672 1.00 4.52 H new ATOM 0 HZ2 LYS A1018 6.287 11.950 2.609 1.00 4.52 H new ATOM 0 HZ3 LYS A1018 6.778 12.608 4.096 1.00 4.52 H new ATOM 2124 N MET A1019 9.002 5.158 3.692 1.00 43.33 N ATOM 2125 CA MET A1019 9.234 3.828 4.285 1.00 23.34 C ATOM 2126 C MET A1019 10.596 3.269 3.833 1.00 53.12 C ATOM 2127 O MET A1019 11.201 2.450 4.533 1.00 1.53 O ATOM 2128 CB MET A1019 8.072 2.824 4.001 1.00 10.12 C ATOM 2129 CG MET A1019 8.172 1.998 2.695 1.00 42.23 C ATOM 2130 SD MET A1019 7.706 0.275 2.950 1.00 12.22 S ATOM 2131 CE MET A1019 8.825 -0.179 4.268 1.00 71.25 C ATOM 0 H MET A1019 8.425 5.148 2.851 1.00 43.33 H new ATOM 0 HA MET A1019 9.255 3.956 5.367 1.00 23.34 H new ATOM 0 HB2 MET A1019 8.009 2.130 4.839 1.00 10.12 H new ATOM 0 HB3 MET A1019 7.137 3.383 3.980 1.00 10.12 H new ATOM 0 HG2 MET A1019 7.526 2.440 1.936 1.00 42.23 H new ATOM 0 HG3 MET A1019 9.192 2.045 2.313 1.00 42.23 H new ATOM 0 HE1 MET A1019 8.952 -1.262 4.281 1.00 71.25 H new ATOM 0 HE2 MET A1019 9.792 0.298 4.105 1.00 71.25 H new ATOM 0 HE3 MET A1019 8.415 0.150 5.223 1.00 71.25 H new ATOM 2141 N ALA A1020 11.062 3.709 2.647 1.00 24.54 N ATOM 2142 CA ALA A1020 12.444 3.468 2.209 1.00 52.52 C ATOM 2143 C ALA A1020 13.426 4.335 3.025 1.00 73.32 C ATOM 2144 O ALA A1020 14.607 3.986 3.154 1.00 74.24 O ATOM 2145 CB ALA A1020 12.580 3.741 0.714 1.00 42.41 C ATOM 0 H ALA A1020 10.498 4.233 1.978 1.00 24.54 H new ATOM 0 HA ALA A1020 12.693 2.422 2.386 1.00 52.52 H new ATOM 0 HB1 ALA A1020 13.609 3.559 0.403 1.00 42.41 H new ATOM 0 HB2 ALA A1020 11.911 3.081 0.161 1.00 42.41 H new ATOM 0 HB3 ALA A1020 12.317 4.779 0.508 1.00 42.41 H new ATOM 2151 N LEU A1021 12.922 5.476 3.554 1.00 0.03 N ATOM 2152 CA LEU A1021 13.681 6.338 4.479 1.00 60.13 C ATOM 2153 C LEU A1021 13.755 5.717 5.893 1.00 53.32 C ATOM 2154 O LEU A1021 14.740 5.961 6.594 1.00 73.22 O ATOM 2155 CB LEU A1021 13.073 7.773 4.549 1.00 5.22 C ATOM 2156 CG LEU A1021 13.080 8.596 3.217 1.00 33.41 C ATOM 2157 CD1 LEU A1021 12.438 9.988 3.400 1.00 54.44 C ATOM 2158 CD2 LEU A1021 14.501 8.715 2.641 1.00 71.42 C ATOM 0 H LEU A1021 11.983 5.819 3.350 1.00 0.03 H new ATOM 0 HA LEU A1021 14.695 6.417 4.086 1.00 60.13 H new ATOM 0 HB2 LEU A1021 12.043 7.691 4.895 1.00 5.22 H new ATOM 0 HB3 LEU A1021 13.619 8.339 5.304 1.00 5.22 H new ATOM 0 HG LEU A1021 12.471 8.048 2.498 1.00 33.41 H new ATOM 0 HD11 LEU A1021 12.462 10.527 2.453 1.00 54.44 H new ATOM 0 HD12 LEU A1021 11.404 9.872 3.725 1.00 54.44 H new ATOM 0 HD13 LEU A1021 12.994 10.549 4.151 1.00 54.44 H new ATOM 0 HD21 LEU A1021 14.472 9.292 1.717 1.00 71.42 H new ATOM 0 HD22 LEU A1021 15.145 9.218 3.362 1.00 71.42 H new ATOM 0 HD23 LEU A1021 14.895 7.720 2.435 1.00 71.42 H new ATOM 2170 N LEU A1022 12.702 4.943 6.306 1.00 62.23 N ATOM 2171 CA LEU A1022 12.691 4.199 7.609 1.00 33.21 C ATOM 2172 C LEU A1022 14.006 3.383 7.814 1.00 25.11 C ATOM 2173 O LEU A1022 14.217 2.381 7.121 1.00 23.43 O ATOM 2174 CB LEU A1022 11.482 3.207 7.718 1.00 13.34 C ATOM 2175 CG LEU A1022 10.044 3.809 7.838 1.00 52.24 C ATOM 2176 CD1 LEU A1022 8.976 2.687 7.862 1.00 54.31 C ATOM 2177 CD2 LEU A1022 9.909 4.709 9.072 1.00 32.41 C ATOM 0 H LEU A1022 11.852 4.819 5.756 1.00 62.23 H new ATOM 0 HA LEU A1022 12.600 4.962 8.382 1.00 33.21 H new ATOM 0 HB2 LEU A1022 11.501 2.561 6.840 1.00 13.34 H new ATOM 0 HB3 LEU A1022 11.650 2.570 8.586 1.00 13.34 H new ATOM 0 HG LEU A1022 9.875 4.428 6.957 1.00 52.24 H new ATOM 0 HD11 LEU A1022 7.984 3.131 7.946 1.00 54.31 H new ATOM 0 HD12 LEU A1022 9.037 2.107 6.941 1.00 54.31 H new ATOM 0 HD13 LEU A1022 9.154 2.033 8.716 1.00 54.31 H new ATOM 0 HD21 LEU A1022 8.896 5.109 9.122 1.00 32.41 H new ATOM 0 HD22 LEU A1022 10.114 4.127 9.971 1.00 32.41 H new ATOM 0 HD23 LEU A1022 10.621 5.531 9.002 1.00 32.41 H new