USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 SER OG : rot -16:sc= 0.148 USER MOD Set 1.2: A 70 GLN : amide:sc= -0.0737 X(o=-1.8,f=-1.7) USER MOD Set 1.3: A 74 ASN : amide:sc= -1.85! K(o=-1.8!,f=-1.2) USER MOD Set 2.1: A 40 TYR OH : rot 35:sc= 0.168 USER MOD Set 2.2: A 71 THR OG1 : rot -118:sc= -1.5! USER MOD Single : A 2 THR OG1 : rot -35:sc= 0.107 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= 0.493 K(o=0.49,f=-0.048) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 19 GLN : amide:sc= -2.81! K(o=-2.8!,f=-0.77) USER MOD Single : A 20 SER OG : rot 81:sc= 1.01 USER MOD Single : A 26 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.56) USER MOD Single : A 35 GLN : amide:sc=-0.00448 X(o=-0.0045,f=-0.14) USER MOD Single : A 36 GLN : amide:sc= -1.53 K(o=-1.5,f=0) 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) USER MOD Single : A 43 SER OG : rot 74:sc= 1.22 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -121:sc= -0.536 (180deg=-1.75) USER MOD Single : A 57 THR OG1 : rot -25:sc= 0.0507 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.13) USER MOD Single : A 63 MET CE :methyl 177:sc= -0.788 (180deg=-0.916) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 79 LYS NZ :NH3+ -174:sc= 1.17 (180deg=0.988) USER MOD Single : A 83 GLN : amide:sc=-0.00232 X(o=-0.0023,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 90 SER OG : rot 85:sc= 0.955 USER MOD Single : A1001 MET CE :methyl 159:sc= -0.209 (180deg=-0.744) 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 -74:sc= 0.453 USER MOD Single : A1010 THR OG1 : rot 81:sc= 0.956 USER MOD Single : A1014 ASN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A1018 LYS NZ :NH3+ 174:sc=-0.00301 (180deg=-0.059) USER MOD Single : A1019 MET CE :methyl -158:sc= -3.27 (180deg=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 2.485 -5.018 23.442 1.00 0.01 N ATOM 21 CA THR A 2 1.355 -4.353 22.739 1.00 41.52 C ATOM 22 C THR A 2 1.813 -3.679 21.425 1.00 64.04 C ATOM 23 O THR A 2 1.268 -3.976 20.362 1.00 2.31 O ATOM 24 CB THR A 2 0.641 -3.304 23.653 1.00 52.33 C ATOM 25 OG1 THR A 2 1.608 -2.378 24.153 1.00 42.32 O ATOM 26 CG2 THR A 2 -0.109 -3.961 24.832 1.00 3.14 C ATOM 0 HA THR A 2 0.641 -5.139 22.492 1.00 41.52 H new ATOM 0 HB THR A 2 -0.103 -2.789 23.045 1.00 52.33 H new ATOM 0 HG1 THR A 2 2.453 -2.845 24.319 1.00 42.32 H new ATOM 0 HG21 THR A 2 -0.587 -3.189 25.435 1.00 3.14 H new ATOM 0 HG22 THR A 2 -0.868 -4.642 24.446 1.00 3.14 H new ATOM 0 HG23 THR A 2 0.598 -4.517 25.448 1.00 3.14 H new ATOM 34 N SER A 3 2.866 -2.831 21.515 1.00 72.04 N ATOM 35 CA SER A 3 3.431 -2.102 20.356 1.00 55.34 C ATOM 36 C SER A 3 4.013 -3.077 19.305 1.00 43.11 C ATOM 37 O SER A 3 4.019 -2.775 18.114 1.00 41.41 O ATOM 38 CB SER A 3 4.524 -1.115 20.837 1.00 34.42 C ATOM 39 OG SER A 3 4.056 -0.290 21.892 1.00 72.41 O ATOM 0 H SER A 3 3.346 -2.634 22.393 1.00 72.04 H new ATOM 0 HA SER A 3 2.625 -1.544 19.880 1.00 55.34 H new ATOM 0 HB2 SER A 3 5.398 -1.674 21.172 1.00 34.42 H new ATOM 0 HB3 SER A 3 4.845 -0.492 20.002 1.00 34.42 H new ATOM 0 HG SER A 3 4.771 0.319 22.173 1.00 72.41 H new ATOM 45 N THR A 4 4.496 -4.241 19.783 1.00 11.31 N ATOM 46 CA THR A 4 5.018 -5.326 18.935 1.00 13.52 C ATOM 47 C THR A 4 3.885 -5.971 18.104 1.00 30.11 C ATOM 48 O THR A 4 4.032 -6.172 16.889 1.00 35.24 O ATOM 49 CB THR A 4 5.725 -6.405 19.825 1.00 3.23 C ATOM 50 OG1 THR A 4 6.731 -5.772 20.633 1.00 62.14 O ATOM 51 CG2 THR A 4 6.366 -7.531 18.996 1.00 1.14 C ATOM 0 H THR A 4 4.534 -4.454 20.780 1.00 11.31 H new ATOM 0 HA THR A 4 5.746 -4.904 18.242 1.00 13.52 H new ATOM 0 HB THR A 4 4.959 -6.862 20.452 1.00 3.23 H new ATOM 0 HG1 THR A 4 7.173 -6.445 21.192 1.00 62.14 H new ATOM 0 HG21 THR A 4 6.841 -8.249 19.664 1.00 1.14 H new ATOM 0 HG22 THR A 4 5.597 -8.034 18.410 1.00 1.14 H new ATOM 0 HG23 THR A 4 7.115 -7.108 18.326 1.00 1.14 H new ATOM 59 N VAL A 5 2.747 -6.259 18.780 1.00 45.02 N ATOM 60 CA VAL A 5 1.546 -6.832 18.141 1.00 63.31 C ATOM 61 C VAL A 5 1.007 -5.856 17.084 1.00 74.42 C ATOM 62 O VAL A 5 0.677 -6.266 15.969 1.00 60.51 O ATOM 63 CB VAL A 5 0.424 -7.185 19.202 1.00 75.44 C ATOM 64 CG1 VAL A 5 -0.878 -7.686 18.526 1.00 20.22 C ATOM 65 CG2 VAL A 5 0.935 -8.234 20.223 1.00 72.40 C ATOM 0 H VAL A 5 2.640 -6.100 19.782 1.00 45.02 H new ATOM 0 HA VAL A 5 1.832 -7.766 17.657 1.00 63.31 H new ATOM 0 HB VAL A 5 0.189 -6.263 19.733 1.00 75.44 H new ATOM 0 HG11 VAL A 5 -1.620 -7.916 19.291 1.00 20.22 H new ATOM 0 HG12 VAL A 5 -1.267 -6.911 17.865 1.00 20.22 H new ATOM 0 HG13 VAL A 5 -0.665 -8.584 17.946 1.00 20.22 H new ATOM 0 HG21 VAL A 5 0.145 -8.459 20.940 1.00 72.40 H new ATOM 0 HG22 VAL A 5 1.218 -9.146 19.697 1.00 72.40 H new ATOM 0 HG23 VAL A 5 1.802 -7.836 20.751 1.00 72.40 H new ATOM 75 N GLU A 6 0.986 -4.554 17.444 1.00 42.31 N ATOM 76 CA GLU A 6 0.582 -3.477 16.530 1.00 54.33 C ATOM 77 C GLU A 6 1.463 -3.481 15.279 1.00 34.55 C ATOM 78 O GLU A 6 0.972 -3.689 14.186 1.00 74.44 O ATOM 79 CB GLU A 6 0.641 -2.091 17.228 1.00 35.41 C ATOM 80 CG GLU A 6 -0.326 -1.934 18.413 1.00 1.01 C ATOM 81 CD GLU A 6 -1.795 -2.198 18.038 1.00 22.22 C ATOM 82 OE1 GLU A 6 -2.304 -3.304 18.302 1.00 42.42 O ATOM 83 OE2 GLU A 6 -2.441 -1.317 17.451 1.00 51.14 O ATOM 0 H GLU A 6 1.249 -4.227 18.374 1.00 42.31 H new ATOM 0 HA GLU A 6 -0.451 -3.659 16.235 1.00 54.33 H new ATOM 0 HB2 GLU A 6 1.658 -1.918 17.580 1.00 35.41 H new ATOM 0 HB3 GLU A 6 0.422 -1.318 16.492 1.00 35.41 H new ATOM 0 HG2 GLU A 6 -0.032 -2.621 19.207 1.00 1.01 H new ATOM 0 HG3 GLU A 6 -0.236 -0.925 18.815 1.00 1.01 H new ATOM 90 N PHE A 7 2.774 -3.354 15.495 1.00 33.12 N ATOM 91 CA PHE A 7 3.779 -3.202 14.434 1.00 43.30 C ATOM 92 C PHE A 7 3.691 -4.357 13.398 1.00 3.24 C ATOM 93 O PHE A 7 3.384 -4.128 12.214 1.00 41.14 O ATOM 94 CB PHE A 7 5.176 -3.143 15.113 1.00 42.32 C ATOM 95 CG PHE A 7 6.319 -2.671 14.229 1.00 14.41 C ATOM 96 CD1 PHE A 7 7.369 -3.520 13.887 1.00 44.25 C ATOM 97 CD2 PHE A 7 6.361 -1.358 13.769 1.00 44.14 C ATOM 98 CE1 PHE A 7 8.419 -3.074 13.115 1.00 4.03 C ATOM 99 CE2 PHE A 7 7.409 -0.915 12.992 1.00 74.43 C ATOM 100 CZ PHE A 7 8.437 -1.774 12.671 1.00 23.51 C ATOM 0 H PHE A 7 3.178 -3.354 16.432 1.00 33.12 H new ATOM 0 HA PHE A 7 3.599 -2.284 13.875 1.00 43.30 H new ATOM 0 HB2 PHE A 7 5.112 -2.481 15.977 1.00 42.32 H new ATOM 0 HB3 PHE A 7 5.419 -4.137 15.490 1.00 42.32 H new ATOM 0 HD1 PHE A 7 7.360 -4.543 14.232 1.00 44.25 H new ATOM 0 HD2 PHE A 7 5.562 -0.678 14.024 1.00 44.14 H new ATOM 0 HE1 PHE A 7 9.226 -3.745 12.859 1.00 4.03 H new ATOM 0 HE2 PHE A 7 7.425 0.104 12.635 1.00 74.43 H new ATOM 0 HZ PHE A 7 9.261 -1.424 12.067 1.00 23.51 H new ATOM 110 N ILE A 8 3.854 -5.598 13.904 1.00 33.02 N ATOM 111 CA ILE A 8 3.891 -6.828 13.088 1.00 45.45 C ATOM 112 C ILE A 8 2.546 -7.079 12.364 1.00 31.25 C ATOM 113 O ILE A 8 2.536 -7.330 11.146 1.00 23.43 O ATOM 114 CB ILE A 8 4.279 -8.075 13.978 1.00 1.42 C ATOM 115 CG1 ILE A 8 5.679 -7.845 14.634 1.00 43.44 C ATOM 116 CG2 ILE A 8 4.254 -9.404 13.171 1.00 2.23 C ATOM 117 CD1 ILE A 8 6.113 -8.924 15.606 1.00 12.20 C ATOM 0 H ILE A 8 3.965 -5.775 14.902 1.00 33.02 H new ATOM 0 HA ILE A 8 4.656 -6.689 12.324 1.00 45.45 H new ATOM 0 HB ILE A 8 3.528 -8.172 14.762 1.00 1.42 H new ATOM 0 HG12 ILE A 8 6.426 -7.766 13.844 1.00 43.44 H new ATOM 0 HG13 ILE A 8 5.666 -6.889 15.157 1.00 43.44 H new ATOM 0 HG21 ILE A 8 4.527 -10.232 13.825 1.00 2.23 H new ATOM 0 HG22 ILE A 8 3.252 -9.570 12.775 1.00 2.23 H new ATOM 0 HG23 ILE A 8 4.965 -9.343 12.347 1.00 2.23 H new ATOM 0 HD11 ILE A 8 7.095 -8.677 16.009 1.00 12.20 H new ATOM 0 HD12 ILE A 8 5.393 -8.991 16.421 1.00 12.20 H new ATOM 0 HD13 ILE A 8 6.164 -9.882 15.088 1.00 12.20 H new ATOM 129 N ASN A 9 1.414 -6.983 13.105 1.00 53.12 N ATOM 130 CA ASN A 9 0.074 -7.268 12.537 1.00 5.04 C ATOM 131 C ASN A 9 -0.342 -6.196 11.519 1.00 73.10 C ATOM 132 O ASN A 9 -0.916 -6.546 10.499 1.00 51.23 O ATOM 133 CB ASN A 9 -1.017 -7.435 13.635 1.00 3.12 C ATOM 134 CG ASN A 9 -0.998 -8.823 14.290 1.00 75.43 C ATOM 135 OD1 ASN A 9 -1.724 -9.732 13.879 1.00 65.23 O ATOM 136 ND2 ASN A 9 -0.160 -9.003 15.293 1.00 35.24 N ATOM 0 H ASN A 9 1.402 -6.713 14.088 1.00 53.12 H new ATOM 0 HA ASN A 9 0.157 -8.223 12.018 1.00 5.04 H new ATOM 0 HB2 ASN A 9 -0.872 -6.675 14.402 1.00 3.12 H new ATOM 0 HB3 ASN A 9 -1.999 -7.260 13.194 1.00 3.12 H new ATOM 0 HD21 ASN A 9 -0.100 -9.913 15.750 1.00 35.24 H new ATOM 0 HD22 ASN A 9 0.428 -8.232 15.611 1.00 35.24 H new ATOM 143 N ARG A 10 -0.024 -4.903 11.789 1.00 70.34 N ATOM 144 CA ARG A 10 -0.346 -3.785 10.859 1.00 43.14 C ATOM 145 C ARG A 10 0.394 -3.976 9.530 1.00 32.30 C ATOM 146 O ARG A 10 -0.230 -3.896 8.470 1.00 5.31 O ATOM 147 CB ARG A 10 0.007 -2.391 11.452 1.00 4.35 C ATOM 148 CG ARG A 10 -0.897 -1.914 12.613 1.00 13.45 C ATOM 149 CD ARG A 10 -0.343 -0.636 13.271 1.00 11.41 C ATOM 150 NE ARG A 10 -1.104 -0.222 14.463 1.00 42.32 N ATOM 151 CZ ARG A 10 -0.860 0.901 15.173 1.00 33.13 C ATOM 152 NH1 ARG A 10 0.126 1.729 14.822 1.00 42.40 N ATOM 153 NH2 ARG A 10 -1.590 1.180 16.237 1.00 21.42 N ATOM 0 H ARG A 10 0.454 -4.608 12.641 1.00 70.34 H new ATOM 0 HA ARG A 10 -1.424 -3.809 10.698 1.00 43.14 H new ATOM 0 HB2 ARG A 10 1.038 -2.416 11.804 1.00 4.35 H new ATOM 0 HB3 ARG A 10 -0.039 -1.653 10.652 1.00 4.35 H new ATOM 0 HG2 ARG A 10 -1.903 -1.725 12.238 1.00 13.45 H new ATOM 0 HG3 ARG A 10 -0.978 -2.703 13.360 1.00 13.45 H new ATOM 0 HD2 ARG A 10 0.698 -0.801 13.551 1.00 11.41 H new ATOM 0 HD3 ARG A 10 -0.353 0.174 12.542 1.00 11.41 H new ATOM 0 HE ARG A 10 -1.867 -0.824 14.773 1.00 42.32 H new ATOM 0 HH11 ARG A 10 0.705 1.517 14.010 1.00 42.40 H new ATOM 0 HH12 ARG A 10 0.300 2.574 15.366 1.00 42.40 H new ATOM 0 HH21 ARG A 10 -2.338 0.548 16.523 1.00 21.42 H new ATOM 0 HH22 ARG A 10 -1.406 2.028 16.774 1.00 21.42 H new ATOM 167 N TRP A 11 1.721 -4.255 9.609 1.00 30.41 N ATOM 168 CA TRP A 11 2.542 -4.566 8.413 1.00 22.52 C ATOM 169 C TRP A 11 1.954 -5.764 7.632 1.00 31.14 C ATOM 170 O TRP A 11 1.928 -5.755 6.392 1.00 0.12 O ATOM 171 CB TRP A 11 4.035 -4.835 8.785 1.00 54.32 C ATOM 172 CG TRP A 11 4.851 -3.583 9.035 1.00 41.23 C ATOM 173 CD1 TRP A 11 5.473 -3.205 10.193 1.00 52.05 C ATOM 174 CD2 TRP A 11 5.130 -2.539 8.082 1.00 63.42 C ATOM 175 NE1 TRP A 11 6.117 -2.006 10.018 1.00 53.40 N ATOM 176 CE2 TRP A 11 5.919 -1.574 8.735 1.00 21.05 C ATOM 177 CE3 TRP A 11 4.784 -2.326 6.744 1.00 70.11 C ATOM 178 CZ2 TRP A 11 6.367 -0.416 8.099 1.00 64.12 C ATOM 179 CZ3 TRP A 11 5.229 -1.184 6.116 1.00 35.42 C ATOM 180 CH2 TRP A 11 6.013 -0.239 6.794 1.00 20.32 C ATOM 0 H TRP A 11 2.242 -4.271 10.486 1.00 30.41 H new ATOM 0 HA TRP A 11 2.516 -3.686 7.770 1.00 22.52 H new ATOM 0 HB2 TRP A 11 4.068 -5.460 9.677 1.00 54.32 H new ATOM 0 HB3 TRP A 11 4.501 -5.404 7.980 1.00 54.32 H new ATOM 0 HD1 TRP A 11 5.459 -3.770 11.114 1.00 52.05 H new ATOM 0 HE1 TRP A 11 6.657 -1.515 10.731 1.00 53.40 H new ATOM 0 HE3 TRP A 11 4.178 -3.045 6.212 1.00 70.11 H new ATOM 0 HZ2 TRP A 11 6.971 0.312 8.620 1.00 64.12 H new ATOM 0 HZ3 TRP A 11 4.969 -1.013 5.082 1.00 35.42 H new ATOM 0 HH2 TRP A 11 6.343 0.647 6.272 1.00 20.32 H new ATOM 191 N GLN A 12 1.463 -6.775 8.383 1.00 70.53 N ATOM 192 CA GLN A 12 0.778 -7.948 7.814 1.00 63.32 C ATOM 193 C GLN A 12 -0.516 -7.545 7.087 1.00 44.20 C ATOM 194 O GLN A 12 -0.780 -8.051 5.994 1.00 32.23 O ATOM 195 CB GLN A 12 0.474 -8.985 8.926 1.00 14.15 C ATOM 196 CG GLN A 12 -0.389 -10.184 8.481 1.00 73.53 C ATOM 197 CD GLN A 12 -0.644 -11.202 9.588 1.00 60.02 C ATOM 198 OE1 GLN A 12 -0.645 -10.874 10.779 1.00 33.12 O ATOM 199 NE2 GLN A 12 -0.912 -12.434 9.204 1.00 51.22 N ATOM 0 H GLN A 12 1.533 -6.797 9.400 1.00 70.53 H new ATOM 0 HA GLN A 12 1.444 -8.402 7.080 1.00 63.32 H new ATOM 0 HB2 GLN A 12 1.418 -9.362 9.318 1.00 14.15 H new ATOM 0 HB3 GLN A 12 -0.032 -8.477 9.747 1.00 14.15 H new ATOM 0 HG2 GLN A 12 -1.346 -9.814 8.112 1.00 73.53 H new ATOM 0 HG3 GLN A 12 0.103 -10.684 7.646 1.00 73.53 H new ATOM 0 HE21 GLN A 12 -0.903 -12.672 8.212 1.00 51.22 H new ATOM 0 HE22 GLN A 12 -1.129 -13.149 9.899 1.00 51.22 H new ATOM 208 N ARG A 13 -1.302 -6.613 7.690 1.00 51.13 N ATOM 209 CA ARG A 13 -2.575 -6.154 7.099 1.00 60.34 C ATOM 210 C ARG A 13 -2.299 -5.504 5.743 1.00 52.42 C ATOM 211 O ARG A 13 -2.958 -5.814 4.773 1.00 44.54 O ATOM 212 CB ARG A 13 -3.339 -5.133 7.991 1.00 53.50 C ATOM 213 CG ARG A 13 -3.599 -5.560 9.450 1.00 71.21 C ATOM 214 CD ARG A 13 -4.243 -6.950 9.603 1.00 62.33 C ATOM 215 NE ARG A 13 -4.372 -7.330 11.022 1.00 13.04 N ATOM 216 CZ ARG A 13 -4.574 -8.572 11.484 1.00 12.33 C ATOM 217 NH1 ARG A 13 -4.674 -9.606 10.651 1.00 15.41 N ATOM 218 NH2 ARG A 13 -4.689 -8.766 12.788 1.00 70.04 N ATOM 0 H ARG A 13 -1.072 -6.171 8.580 1.00 51.13 H new ATOM 0 HA ARG A 13 -3.207 -7.037 7.000 1.00 60.34 H new ATOM 0 HB2 ARG A 13 -2.775 -4.200 8.003 1.00 53.50 H new ATOM 0 HB3 ARG A 13 -4.299 -4.919 7.521 1.00 53.50 H new ATOM 0 HG2 ARG A 13 -2.654 -5.550 9.992 1.00 71.21 H new ATOM 0 HG3 ARG A 13 -4.245 -4.820 9.922 1.00 71.21 H new ATOM 0 HD2 ARG A 13 -5.227 -6.950 9.134 1.00 62.33 H new ATOM 0 HD3 ARG A 13 -3.640 -7.692 9.080 1.00 62.33 H new ATOM 0 HE ARG A 13 -4.301 -6.582 11.712 1.00 13.04 H new ATOM 0 HH11 ARG A 13 -4.597 -9.459 9.645 1.00 15.41 H new ATOM 0 HH12 ARG A 13 -4.828 -10.545 11.019 1.00 15.41 H new ATOM 0 HH21 ARG A 13 -4.624 -7.975 13.429 1.00 70.04 H new ATOM 0 HH22 ARG A 13 -4.843 -9.706 13.152 1.00 70.04 H new ATOM 232 N ILE A 14 -1.267 -4.638 5.709 1.00 51.12 N ATOM 233 CA ILE A 14 -0.871 -3.885 4.507 1.00 61.11 C ATOM 234 C ILE A 14 -0.351 -4.837 3.413 1.00 2.41 C ATOM 235 O ILE A 14 -0.598 -4.611 2.243 1.00 24.01 O ATOM 236 CB ILE A 14 0.232 -2.814 4.851 1.00 62.34 C ATOM 237 CG1 ILE A 14 -0.221 -1.929 6.037 1.00 15.22 C ATOM 238 CG2 ILE A 14 0.571 -1.920 3.636 1.00 54.13 C ATOM 239 CD1 ILE A 14 0.837 -0.984 6.541 1.00 72.24 C ATOM 0 H ILE A 14 -0.682 -4.442 6.521 1.00 51.12 H new ATOM 0 HA ILE A 14 -1.755 -3.368 4.134 1.00 61.11 H new ATOM 0 HB ILE A 14 1.133 -3.362 5.128 1.00 62.34 H new ATOM 0 HG12 ILE A 14 -1.093 -1.351 5.732 1.00 15.22 H new ATOM 0 HG13 ILE A 14 -0.537 -2.574 6.857 1.00 15.22 H new ATOM 0 HG21 ILE A 14 1.336 -1.196 3.919 1.00 54.13 H new ATOM 0 HG22 ILE A 14 0.942 -2.540 2.820 1.00 54.13 H new ATOM 0 HG23 ILE A 14 -0.326 -1.392 3.311 1.00 54.13 H new ATOM 0 HD11 ILE A 14 0.439 -0.401 7.371 1.00 72.24 H new ATOM 0 HD12 ILE A 14 1.702 -1.554 6.880 1.00 72.24 H new ATOM 0 HD13 ILE A 14 1.137 -0.312 5.737 1.00 72.24 H new ATOM 251 N ALA A 15 0.357 -5.907 3.830 1.00 63.25 N ATOM 252 CA ALA A 15 0.870 -6.946 2.913 1.00 11.24 C ATOM 253 C ALA A 15 -0.285 -7.697 2.207 1.00 72.33 C ATOM 254 O ALA A 15 -0.302 -7.838 0.969 1.00 35.35 O ATOM 255 CB ALA A 15 1.758 -7.926 3.694 1.00 3.51 C ATOM 0 H ALA A 15 0.589 -6.075 4.809 1.00 63.25 H new ATOM 0 HA ALA A 15 1.464 -6.462 2.137 1.00 11.24 H new ATOM 0 HB1 ALA A 15 2.136 -8.692 3.018 1.00 3.51 H new ATOM 0 HB2 ALA A 15 2.596 -7.386 4.135 1.00 3.51 H new ATOM 0 HB3 ALA A 15 1.173 -8.396 4.484 1.00 3.51 H new ATOM 261 N LEU A 16 -1.263 -8.142 3.024 1.00 14.42 N ATOM 262 CA LEU A 16 -2.431 -8.910 2.557 1.00 44.02 C ATOM 263 C LEU A 16 -3.362 -8.018 1.714 1.00 10.03 C ATOM 264 O LEU A 16 -3.863 -8.443 0.671 1.00 13.43 O ATOM 265 CB LEU A 16 -3.192 -9.517 3.771 1.00 4.15 C ATOM 266 CG LEU A 16 -2.373 -10.508 4.672 1.00 43.31 C ATOM 267 CD1 LEU A 16 -3.192 -10.984 5.888 1.00 52.35 C ATOM 268 CD2 LEU A 16 -1.848 -11.705 3.861 1.00 74.24 C ATOM 0 H LEU A 16 -1.262 -7.977 4.030 1.00 14.42 H new ATOM 0 HA LEU A 16 -2.085 -9.727 1.924 1.00 44.02 H new ATOM 0 HB2 LEU A 16 -3.549 -8.699 4.397 1.00 4.15 H new ATOM 0 HB3 LEU A 16 -4.072 -10.040 3.398 1.00 4.15 H new ATOM 0 HG LEU A 16 -1.512 -9.957 5.050 1.00 43.31 H new ATOM 0 HD11 LEU A 16 -2.590 -11.668 6.487 1.00 52.35 H new ATOM 0 HD12 LEU A 16 -3.476 -10.124 6.495 1.00 52.35 H new ATOM 0 HD13 LEU A 16 -4.090 -11.497 5.544 1.00 52.35 H new ATOM 0 HD21 LEU A 16 -1.286 -12.370 4.517 1.00 74.24 H new ATOM 0 HD22 LEU A 16 -2.688 -12.248 3.428 1.00 74.24 H new ATOM 0 HD23 LEU A 16 -1.197 -11.347 3.063 1.00 74.24 H new ATOM 280 N LEU A 17 -3.541 -6.763 2.169 1.00 65.15 N ATOM 281 CA LEU A 17 -4.362 -5.753 1.480 1.00 2.23 C ATOM 282 C LEU A 17 -3.732 -5.399 0.129 1.00 61.25 C ATOM 283 O LEU A 17 -4.427 -5.382 -0.864 1.00 33.32 O ATOM 284 CB LEU A 17 -4.544 -4.464 2.347 1.00 34.13 C ATOM 285 CG LEU A 17 -5.532 -4.566 3.560 1.00 43.03 C ATOM 286 CD1 LEU A 17 -5.414 -3.331 4.487 1.00 42.12 C ATOM 287 CD2 LEU A 17 -6.987 -4.760 3.077 1.00 33.15 C ATOM 0 H LEU A 17 -3.116 -6.421 3.031 1.00 65.15 H new ATOM 0 HA LEU A 17 -5.351 -6.182 1.317 1.00 2.23 H new ATOM 0 HB2 LEU A 17 -3.566 -4.169 2.728 1.00 34.13 H new ATOM 0 HB3 LEU A 17 -4.887 -3.661 1.695 1.00 34.13 H new ATOM 0 HG LEU A 17 -5.252 -5.444 4.141 1.00 43.03 H new ATOM 0 HD11 LEU A 17 -6.112 -3.432 5.318 1.00 42.12 H new ATOM 0 HD12 LEU A 17 -4.397 -3.262 4.873 1.00 42.12 H new ATOM 0 HD13 LEU A 17 -5.650 -2.429 3.923 1.00 42.12 H new ATOM 0 HD21 LEU A 17 -7.651 -4.828 3.939 1.00 33.15 H new ATOM 0 HD22 LEU A 17 -7.281 -3.912 2.458 1.00 33.15 H new ATOM 0 HD23 LEU A 17 -7.057 -5.677 2.492 1.00 33.15 H new ATOM 299 N SER A 18 -2.404 -5.174 0.105 1.00 63.01 N ATOM 300 CA SER A 18 -1.693 -4.756 -1.118 1.00 24.25 C ATOM 301 C SER A 18 -1.739 -5.853 -2.185 1.00 63.51 C ATOM 302 O SER A 18 -1.944 -5.547 -3.361 1.00 12.41 O ATOM 303 CB SER A 18 -0.230 -4.360 -0.823 1.00 33.35 C ATOM 304 OG SER A 18 0.503 -5.429 -0.251 1.00 44.52 O ATOM 0 H SER A 18 -1.801 -5.275 0.921 1.00 63.01 H new ATOM 0 HA SER A 18 -2.209 -3.875 -1.501 1.00 24.25 H new ATOM 0 HB2 SER A 18 0.253 -4.042 -1.747 1.00 33.35 H new ATOM 0 HB3 SER A 18 -0.215 -3.506 -0.145 1.00 33.35 H new ATOM 0 HG SER A 18 -0.117 -6.116 0.070 1.00 44.52 H new ATOM 310 N GLN A 19 -1.550 -7.132 -1.769 1.00 64.40 N ATOM 311 CA GLN A 19 -1.578 -8.258 -2.723 1.00 45.41 C ATOM 312 C GLN A 19 -3.009 -8.541 -3.216 1.00 74.45 C ATOM 313 O GLN A 19 -3.194 -8.895 -4.379 1.00 21.53 O ATOM 314 CB GLN A 19 -0.913 -9.535 -2.146 1.00 61.33 C ATOM 315 CG GLN A 19 -1.691 -10.285 -1.050 1.00 10.53 C ATOM 316 CD GLN A 19 -0.922 -11.473 -0.467 1.00 3.21 C ATOM 317 OE1 GLN A 19 -0.077 -12.081 -1.127 1.00 70.35 O ATOM 318 NE2 GLN A 19 -1.238 -11.844 0.752 1.00 75.34 N ATOM 0 H GLN A 19 -1.380 -7.400 -0.800 1.00 64.40 H new ATOM 0 HA GLN A 19 -0.983 -7.956 -3.585 1.00 45.41 H new ATOM 0 HB2 GLN A 19 -0.733 -10.226 -2.969 1.00 61.33 H new ATOM 0 HB3 GLN A 19 0.061 -9.259 -1.743 1.00 61.33 H new ATOM 0 HG2 GLN A 19 -1.935 -9.590 -0.247 1.00 10.53 H new ATOM 0 HG3 GLN A 19 -2.636 -10.640 -1.463 1.00 10.53 H new ATOM 0 HE21 GLN A 19 -1.941 -11.324 1.277 1.00 75.34 H new ATOM 0 HE22 GLN A 19 -0.781 -12.652 1.174 1.00 75.34 H new ATOM 327 N SER A 20 -4.015 -8.342 -2.334 1.00 72.24 N ATOM 328 CA SER A 20 -5.431 -8.499 -2.700 1.00 62.42 C ATOM 329 C SER A 20 -5.827 -7.431 -3.725 1.00 24.22 C ATOM 330 O SER A 20 -6.263 -7.765 -4.819 1.00 73.52 O ATOM 331 CB SER A 20 -6.345 -8.443 -1.461 1.00 23.41 C ATOM 332 OG SER A 20 -6.090 -9.541 -0.592 1.00 45.55 O ATOM 0 H SER A 20 -3.866 -8.072 -1.362 1.00 72.24 H new ATOM 0 HA SER A 20 -5.561 -9.483 -3.150 1.00 62.42 H new ATOM 0 HB2 SER A 20 -6.184 -7.506 -0.927 1.00 23.41 H new ATOM 0 HB3 SER A 20 -7.389 -8.456 -1.773 1.00 23.41 H new ATOM 0 HG SER A 20 -5.297 -9.351 -0.049 1.00 45.55 H new ATOM 338 N LEU A 21 -5.584 -6.152 -3.356 1.00 13.44 N ATOM 339 CA LEU A 21 -5.830 -4.965 -4.204 1.00 4.34 C ATOM 340 C LEU A 21 -5.096 -5.080 -5.540 1.00 14.24 C ATOM 341 O LEU A 21 -5.587 -4.598 -6.562 1.00 52.53 O ATOM 342 CB LEU A 21 -5.394 -3.668 -3.459 1.00 74.53 C ATOM 343 CG LEU A 21 -6.243 -3.293 -2.203 1.00 3.54 C ATOM 344 CD1 LEU A 21 -5.582 -2.156 -1.399 1.00 14.22 C ATOM 345 CD2 LEU A 21 -7.678 -2.932 -2.601 1.00 43.21 C ATOM 0 H LEU A 21 -5.203 -5.913 -2.441 1.00 13.44 H new ATOM 0 HA LEU A 21 -6.899 -4.913 -4.409 1.00 4.34 H new ATOM 0 HB2 LEU A 21 -4.354 -3.779 -3.152 1.00 74.53 H new ATOM 0 HB3 LEU A 21 -5.432 -2.836 -4.162 1.00 74.53 H new ATOM 0 HG LEU A 21 -6.286 -4.169 -1.555 1.00 3.54 H new ATOM 0 HD11 LEU A 21 -6.197 -1.918 -0.531 1.00 14.22 H new ATOM 0 HD12 LEU A 21 -4.593 -2.472 -1.067 1.00 14.22 H new ATOM 0 HD13 LEU A 21 -5.487 -1.272 -2.030 1.00 14.22 H new ATOM 0 HD21 LEU A 21 -8.249 -2.675 -1.709 1.00 43.21 H new ATOM 0 HD22 LEU A 21 -7.664 -2.080 -3.281 1.00 43.21 H new ATOM 0 HD23 LEU A 21 -8.143 -3.784 -3.097 1.00 43.21 H new ATOM 357 N LEU A 22 -3.917 -5.728 -5.506 1.00 23.35 N ATOM 358 CA LEU A 22 -3.123 -6.009 -6.699 1.00 52.34 C ATOM 359 C LEU A 22 -3.877 -6.955 -7.638 1.00 32.15 C ATOM 360 O LEU A 22 -4.048 -6.632 -8.805 1.00 24.22 O ATOM 361 CB LEU A 22 -1.757 -6.612 -6.316 1.00 22.41 C ATOM 362 CG LEU A 22 -0.833 -6.991 -7.509 1.00 33.55 C ATOM 363 CD1 LEU A 22 -0.572 -5.768 -8.409 1.00 42.41 C ATOM 364 CD2 LEU A 22 0.474 -7.635 -7.012 1.00 60.34 C ATOM 0 H LEU A 22 -3.494 -6.069 -4.643 1.00 23.35 H new ATOM 0 HA LEU A 22 -2.950 -5.068 -7.220 1.00 52.34 H new ATOM 0 HB2 LEU A 22 -1.229 -5.899 -5.683 1.00 22.41 H new ATOM 0 HB3 LEU A 22 -1.929 -7.505 -5.715 1.00 22.41 H new ATOM 0 HG LEU A 22 -1.344 -7.737 -8.118 1.00 33.55 H new ATOM 0 HD11 LEU A 22 0.076 -6.057 -9.236 1.00 42.41 H new ATOM 0 HD12 LEU A 22 -1.519 -5.397 -8.802 1.00 42.41 H new ATOM 0 HD13 LEU A 22 -0.089 -4.984 -7.826 1.00 42.41 H new ATOM 0 HD21 LEU A 22 1.102 -7.890 -7.866 1.00 60.34 H new ATOM 0 HD22 LEU A 22 1.004 -6.932 -6.369 1.00 60.34 H new ATOM 0 HD23 LEU A 22 0.243 -8.539 -6.449 1.00 60.34 H new ATOM 376 N GLU A 23 -4.343 -8.100 -7.095 1.00 12.03 N ATOM 377 CA GLU A 23 -5.099 -9.116 -7.868 1.00 45.53 C ATOM 378 C GLU A 23 -6.360 -8.502 -8.518 1.00 51.13 C ATOM 379 O GLU A 23 -6.672 -8.761 -9.694 1.00 73.20 O ATOM 380 CB GLU A 23 -5.504 -10.291 -6.941 1.00 65.22 C ATOM 381 CG GLU A 23 -4.325 -11.069 -6.323 1.00 22.51 C ATOM 382 CD GLU A 23 -3.451 -11.780 -7.364 1.00 65.55 C ATOM 383 OE1 GLU A 23 -3.811 -12.905 -7.772 1.00 25.52 O ATOM 384 OE2 GLU A 23 -2.416 -11.223 -7.781 1.00 74.45 O ATOM 0 H GLU A 23 -4.208 -8.348 -6.115 1.00 12.03 H new ATOM 0 HA GLU A 23 -4.452 -9.485 -8.664 1.00 45.53 H new ATOM 0 HB2 GLU A 23 -6.125 -9.901 -6.135 1.00 65.22 H new ATOM 0 HB3 GLU A 23 -6.121 -10.987 -7.510 1.00 65.22 H new ATOM 0 HG2 GLU A 23 -3.705 -10.380 -5.749 1.00 22.51 H new ATOM 0 HG3 GLU A 23 -4.714 -11.807 -5.622 1.00 22.51 H new ATOM 391 N LEU A 24 -7.043 -7.661 -7.722 1.00 4.21 N ATOM 392 CA LEU A 24 -8.255 -6.938 -8.131 1.00 33.01 C ATOM 393 C LEU A 24 -7.940 -5.983 -9.298 1.00 4.32 C ATOM 394 O LEU A 24 -8.652 -5.959 -10.288 1.00 14.34 O ATOM 395 CB LEU A 24 -8.817 -6.130 -6.936 1.00 12.05 C ATOM 396 CG LEU A 24 -9.108 -6.924 -5.628 1.00 23.04 C ATOM 397 CD1 LEU A 24 -9.410 -5.980 -4.457 1.00 0.43 C ATOM 398 CD2 LEU A 24 -10.224 -7.955 -5.821 1.00 24.32 C ATOM 0 H LEU A 24 -6.762 -7.463 -6.762 1.00 4.21 H new ATOM 0 HA LEU A 24 -8.999 -7.664 -8.458 1.00 33.01 H new ATOM 0 HB2 LEU A 24 -8.110 -5.335 -6.701 1.00 12.05 H new ATOM 0 HB3 LEU A 24 -9.742 -5.650 -7.255 1.00 12.05 H new ATOM 0 HG LEU A 24 -8.203 -7.478 -5.380 1.00 23.04 H new ATOM 0 HD11 LEU A 24 -9.609 -6.566 -3.559 1.00 0.43 H new ATOM 0 HD12 LEU A 24 -8.553 -5.330 -4.284 1.00 0.43 H new ATOM 0 HD13 LEU A 24 -10.284 -5.373 -4.695 1.00 0.43 H new ATOM 0 HD21 LEU A 24 -10.395 -8.486 -4.885 1.00 24.32 H new ATOM 0 HD22 LEU A 24 -11.140 -7.447 -6.122 1.00 24.32 H new ATOM 0 HD23 LEU A 24 -9.932 -8.666 -6.594 1.00 24.32 H new ATOM 410 N ALA A 25 -6.830 -5.231 -9.153 1.00 3.34 N ATOM 411 CA ALA A 25 -6.371 -4.240 -10.148 1.00 30.33 C ATOM 412 C ALA A 25 -5.949 -4.920 -11.462 1.00 12.35 C ATOM 413 O ALA A 25 -6.180 -4.388 -12.555 1.00 62.24 O ATOM 414 CB ALA A 25 -5.208 -3.422 -9.564 1.00 54.21 C ATOM 0 H ALA A 25 -6.222 -5.295 -8.336 1.00 3.34 H new ATOM 0 HA ALA A 25 -7.201 -3.571 -10.378 1.00 30.33 H new ATOM 0 HB1 ALA A 25 -4.871 -2.692 -10.300 1.00 54.21 H new ATOM 0 HB2 ALA A 25 -5.543 -2.904 -8.665 1.00 54.21 H new ATOM 0 HB3 ALA A 25 -4.384 -4.090 -9.312 1.00 54.21 H new ATOM 420 N GLN A 26 -5.328 -6.106 -11.327 1.00 0.24 N ATOM 421 CA GLN A 26 -4.910 -6.941 -12.464 1.00 23.13 C ATOM 422 C GLN A 26 -6.144 -7.445 -13.247 1.00 13.50 C ATOM 423 O GLN A 26 -6.106 -7.546 -14.475 1.00 14.12 O ATOM 424 CB GLN A 26 -4.058 -8.143 -11.970 1.00 4.45 C ATOM 425 CG GLN A 26 -2.680 -7.797 -11.343 1.00 43.32 C ATOM 426 CD GLN A 26 -1.624 -7.290 -12.336 1.00 53.00 C ATOM 427 OE1 GLN A 26 -1.659 -7.611 -13.523 1.00 62.21 O ATOM 428 NE2 GLN A 26 -0.638 -6.535 -11.855 1.00 3.45 N ATOM 0 H GLN A 26 -5.102 -6.513 -10.420 1.00 0.24 H new ATOM 0 HA GLN A 26 -4.300 -6.333 -13.132 1.00 23.13 H new ATOM 0 HB2 GLN A 26 -4.641 -8.695 -11.233 1.00 4.45 H new ATOM 0 HB3 GLN A 26 -3.892 -8.814 -12.813 1.00 4.45 H new ATOM 0 HG2 GLN A 26 -2.828 -7.039 -10.574 1.00 43.32 H new ATOM 0 HG3 GLN A 26 -2.291 -8.685 -10.844 1.00 43.32 H new ATOM 0 HE21 GLN A 26 -0.627 -6.279 -10.868 1.00 3.45 H new ATOM 0 HE22 GLN A 26 0.106 -6.212 -12.474 1.00 3.45 H new ATOM 437 N ARG A 27 -7.228 -7.768 -12.511 1.00 51.11 N ATOM 438 CA ARG A 27 -8.500 -8.251 -13.104 1.00 74.51 C ATOM 439 C ARG A 27 -9.470 -7.098 -13.464 1.00 52.23 C ATOM 440 O ARG A 27 -10.437 -7.315 -14.200 1.00 3.53 O ATOM 441 CB ARG A 27 -9.170 -9.254 -12.134 1.00 65.01 C ATOM 442 CG ARG A 27 -8.412 -10.591 -11.980 1.00 43.42 C ATOM 443 CD ARG A 27 -9.036 -11.516 -10.919 1.00 4.41 C ATOM 444 NE ARG A 27 -10.464 -11.793 -11.160 1.00 53.21 N ATOM 445 CZ ARG A 27 -11.217 -12.674 -10.470 1.00 54.33 C ATOM 446 NH1 ARG A 27 -10.695 -13.401 -9.474 1.00 74.13 N ATOM 447 NH2 ARG A 27 -12.502 -12.804 -10.780 1.00 63.34 N ATOM 0 H ARG A 27 -7.250 -7.703 -11.493 1.00 51.11 H new ATOM 0 HA ARG A 27 -8.261 -8.750 -14.043 1.00 74.51 H new ATOM 0 HB2 ARG A 27 -9.262 -8.787 -11.153 1.00 65.01 H new ATOM 0 HB3 ARG A 27 -10.181 -9.461 -12.485 1.00 65.01 H new ATOM 0 HG2 ARG A 27 -8.397 -11.107 -12.940 1.00 43.42 H new ATOM 0 HG3 ARG A 27 -7.376 -10.386 -11.712 1.00 43.42 H new ATOM 0 HD2 ARG A 27 -8.488 -12.458 -10.899 1.00 4.41 H new ATOM 0 HD3 ARG A 27 -8.922 -11.060 -9.936 1.00 4.41 H new ATOM 0 HE ARG A 27 -10.920 -11.275 -11.911 1.00 53.21 H new ATOM 0 HH11 ARG A 27 -9.712 -13.294 -9.225 1.00 74.13 H new ATOM 0 HH12 ARG A 27 -11.281 -14.062 -8.964 1.00 74.13 H new ATOM 0 HH21 ARG A 27 -12.905 -12.242 -11.530 1.00 63.34 H new ATOM 0 HH22 ARG A 27 -13.086 -13.466 -10.268 1.00 63.34 H new ATOM 461 N GLY A 28 -9.195 -5.876 -12.958 1.00 42.13 N ATOM 462 CA GLY A 28 -9.990 -4.676 -13.282 1.00 14.41 C ATOM 463 C GLY A 28 -11.118 -4.359 -12.298 1.00 33.51 C ATOM 464 O GLY A 28 -11.995 -3.548 -12.621 1.00 63.12 O ATOM 0 H GLY A 28 -8.421 -5.696 -12.318 1.00 42.13 H new ATOM 0 HA2 GLY A 28 -9.320 -3.818 -13.331 1.00 14.41 H new ATOM 0 HA3 GLY A 28 -10.420 -4.802 -14.276 1.00 14.41 H new ATOM 468 N GLU A 29 -11.126 -5.012 -11.120 1.00 25.31 N ATOM 469 CA GLU A 29 -12.042 -4.670 -10.004 1.00 40.14 C ATOM 470 C GLU A 29 -11.555 -3.401 -9.276 1.00 13.21 C ATOM 471 O GLU A 29 -10.967 -3.482 -8.192 1.00 10.42 O ATOM 472 CB GLU A 29 -12.207 -5.862 -9.000 1.00 60.44 C ATOM 473 CG GLU A 29 -13.145 -6.996 -9.460 1.00 62.33 C ATOM 474 CD GLU A 29 -12.635 -7.779 -10.684 1.00 44.44 C ATOM 475 OE1 GLU A 29 -11.913 -8.776 -10.503 1.00 13.43 O ATOM 476 OE2 GLU A 29 -12.967 -7.417 -11.829 1.00 35.42 O ATOM 0 H GLU A 29 -10.501 -5.790 -10.911 1.00 25.31 H new ATOM 0 HA GLU A 29 -13.024 -4.471 -10.432 1.00 40.14 H new ATOM 0 HB2 GLU A 29 -11.223 -6.287 -8.803 1.00 60.44 H new ATOM 0 HB3 GLU A 29 -12.579 -5.468 -8.054 1.00 60.44 H new ATOM 0 HG2 GLU A 29 -13.290 -7.691 -8.633 1.00 62.33 H new ATOM 0 HG3 GLU A 29 -14.121 -6.572 -9.695 1.00 62.33 H new ATOM 483 N TRP A 30 -11.800 -2.233 -9.897 1.00 4.43 N ATOM 484 CA TRP A 30 -11.387 -0.917 -9.355 1.00 52.43 C ATOM 485 C TRP A 30 -12.251 -0.524 -8.140 1.00 44.43 C ATOM 486 O TRP A 30 -11.790 0.194 -7.253 1.00 73.10 O ATOM 487 CB TRP A 30 -11.483 0.194 -10.439 1.00 64.34 C ATOM 488 CG TRP A 30 -10.906 -0.176 -11.789 1.00 41.25 C ATOM 489 CD1 TRP A 30 -11.567 -0.169 -12.987 1.00 61.33 C ATOM 490 CD2 TRP A 30 -9.570 -0.614 -12.083 1.00 31.52 C ATOM 491 NE1 TRP A 30 -10.733 -0.567 -13.993 1.00 70.31 N ATOM 492 CE2 TRP A 30 -9.507 -0.848 -13.468 1.00 10.41 C ATOM 493 CE3 TRP A 30 -8.423 -0.827 -11.315 1.00 42.03 C ATOM 494 CZ2 TRP A 30 -8.350 -1.282 -14.100 1.00 65.15 C ATOM 495 CZ3 TRP A 30 -7.279 -1.261 -11.948 1.00 51.31 C ATOM 496 CH2 TRP A 30 -7.251 -1.485 -13.325 1.00 3.24 C ATOM 0 H TRP A 30 -12.290 -2.170 -10.789 1.00 4.43 H new ATOM 0 HA TRP A 30 -10.348 -1.011 -9.038 1.00 52.43 H new ATOM 0 HB2 TRP A 30 -12.531 0.463 -10.570 1.00 64.34 H new ATOM 0 HB3 TRP A 30 -10.970 1.083 -10.073 1.00 64.34 H new ATOM 0 HD1 TRP A 30 -12.602 0.111 -13.119 1.00 61.33 H new ATOM 0 HE1 TRP A 30 -10.987 -0.642 -14.978 1.00 70.31 H new ATOM 0 HE3 TRP A 30 -8.433 -0.655 -10.249 1.00 42.03 H new ATOM 0 HZ2 TRP A 30 -8.323 -1.452 -15.166 1.00 65.15 H new ATOM 0 HZ3 TRP A 30 -6.385 -1.431 -11.366 1.00 51.31 H new ATOM 0 HH2 TRP A 30 -6.336 -1.827 -13.786 1.00 3.24 H new ATOM 507 N ASP A 31 -13.511 -1.009 -8.136 1.00 55.40 N ATOM 508 CA ASP A 31 -14.508 -0.758 -7.070 1.00 33.40 C ATOM 509 C ASP A 31 -13.978 -1.182 -5.689 1.00 21.13 C ATOM 510 O ASP A 31 -14.100 -0.446 -4.706 1.00 62.31 O ATOM 511 CB ASP A 31 -15.829 -1.512 -7.401 1.00 3.35 C ATOM 512 CG ASP A 31 -16.878 -1.443 -6.265 1.00 53.33 C ATOM 513 OD1 ASP A 31 -17.659 -0.467 -6.213 1.00 32.11 O ATOM 514 OD2 ASP A 31 -16.929 -2.373 -5.422 1.00 44.52 O ATOM 0 H ASP A 31 -13.872 -1.597 -8.887 1.00 55.40 H new ATOM 0 HA ASP A 31 -14.703 0.314 -7.030 1.00 33.40 H new ATOM 0 HB2 ASP A 31 -16.260 -1.092 -8.310 1.00 3.35 H new ATOM 0 HB3 ASP A 31 -15.600 -2.557 -7.610 1.00 3.35 H new ATOM 519 N LEU A 32 -13.385 -2.388 -5.651 1.00 4.22 N ATOM 520 CA LEU A 32 -12.838 -2.971 -4.423 1.00 73.24 C ATOM 521 C LEU A 32 -11.531 -2.269 -4.003 1.00 13.11 C ATOM 522 O LEU A 32 -11.142 -2.350 -2.836 1.00 22.52 O ATOM 523 CB LEU A 32 -12.633 -4.491 -4.598 1.00 5.35 C ATOM 524 CG LEU A 32 -13.925 -5.346 -4.799 1.00 42.30 C ATOM 525 CD1 LEU A 32 -13.582 -6.844 -4.958 1.00 54.33 C ATOM 526 CD2 LEU A 32 -14.932 -5.121 -3.646 1.00 13.12 C ATOM 0 H LEU A 32 -13.274 -2.982 -6.473 1.00 4.22 H new ATOM 0 HA LEU A 32 -13.557 -2.815 -3.619 1.00 73.24 H new ATOM 0 HB2 LEU A 32 -11.980 -4.651 -5.456 1.00 5.35 H new ATOM 0 HB3 LEU A 32 -12.106 -4.868 -3.721 1.00 5.35 H new ATOM 0 HG LEU A 32 -14.402 -5.015 -5.722 1.00 42.30 H new ATOM 0 HD11 LEU A 32 -14.500 -7.415 -5.096 1.00 54.33 H new ATOM 0 HD12 LEU A 32 -12.936 -6.979 -5.826 1.00 54.33 H new ATOM 0 HD13 LEU A 32 -13.067 -7.196 -4.064 1.00 54.33 H new ATOM 0 HD21 LEU A 32 -15.820 -5.730 -3.815 1.00 13.12 H new ATOM 0 HD22 LEU A 32 -14.471 -5.406 -2.700 1.00 13.12 H new ATOM 0 HD23 LEU A 32 -15.215 -4.069 -3.610 1.00 13.12 H new ATOM 538 N LEU A 33 -10.857 -1.593 -4.963 1.00 72.44 N ATOM 539 CA LEU A 33 -9.726 -0.692 -4.646 1.00 40.53 C ATOM 540 C LEU A 33 -10.248 0.541 -3.905 1.00 13.03 C ATOM 541 O LEU A 33 -9.692 0.907 -2.884 1.00 45.44 O ATOM 542 CB LEU A 33 -8.902 -0.275 -5.908 1.00 34.51 C ATOM 543 CG LEU A 33 -7.767 -1.258 -6.341 1.00 21.11 C ATOM 544 CD1 LEU A 33 -8.312 -2.636 -6.723 1.00 20.24 C ATOM 545 CD2 LEU A 33 -6.925 -0.661 -7.479 1.00 32.45 C ATOM 0 H LEU A 33 -11.076 -1.654 -5.957 1.00 72.44 H new ATOM 0 HA LEU A 33 -9.037 -1.244 -4.007 1.00 40.53 H new ATOM 0 HB2 LEU A 33 -9.591 -0.156 -6.744 1.00 34.51 H new ATOM 0 HB3 LEU A 33 -8.457 0.702 -5.720 1.00 34.51 H new ATOM 0 HG LEU A 33 -7.119 -1.400 -5.476 1.00 21.11 H new ATOM 0 HD11 LEU A 33 -7.487 -3.285 -7.017 1.00 20.24 H new ATOM 0 HD12 LEU A 33 -8.830 -3.072 -5.869 1.00 20.24 H new ATOM 0 HD13 LEU A 33 -9.008 -2.534 -7.556 1.00 20.24 H new ATOM 0 HD21 LEU A 33 -6.143 -1.366 -7.761 1.00 32.45 H new ATOM 0 HD22 LEU A 33 -7.564 -0.465 -8.340 1.00 32.45 H new ATOM 0 HD23 LEU A 33 -6.470 0.271 -7.145 1.00 32.45 H new ATOM 557 N LEU A 34 -11.352 1.123 -4.415 1.00 42.12 N ATOM 558 CA LEU A 34 -11.973 2.336 -3.830 1.00 24.13 C ATOM 559 C LEU A 34 -12.585 2.038 -2.440 1.00 54.14 C ATOM 560 O LEU A 34 -12.603 2.899 -1.556 1.00 60.31 O ATOM 561 CB LEU A 34 -13.066 2.900 -4.786 1.00 13.33 C ATOM 562 CG LEU A 34 -12.636 3.139 -6.272 1.00 55.03 C ATOM 563 CD1 LEU A 34 -13.786 3.748 -7.104 1.00 53.42 C ATOM 564 CD2 LEU A 34 -11.346 3.987 -6.377 1.00 13.52 C ATOM 0 H LEU A 34 -11.838 0.770 -5.239 1.00 42.12 H new ATOM 0 HA LEU A 34 -11.190 3.084 -3.703 1.00 24.13 H new ATOM 0 HB2 LEU A 34 -13.911 2.212 -4.782 1.00 13.33 H new ATOM 0 HB3 LEU A 34 -13.422 3.846 -4.377 1.00 13.33 H new ATOM 0 HG LEU A 34 -12.406 2.162 -6.696 1.00 55.03 H new ATOM 0 HD11 LEU A 34 -13.452 3.900 -8.130 1.00 53.42 H new ATOM 0 HD12 LEU A 34 -14.639 3.069 -7.097 1.00 53.42 H new ATOM 0 HD13 LEU A 34 -14.080 4.705 -6.673 1.00 53.42 H new ATOM 0 HD21 LEU A 34 -11.087 4.126 -7.426 1.00 13.52 H new ATOM 0 HD22 LEU A 34 -11.511 4.959 -5.912 1.00 13.52 H new ATOM 0 HD23 LEU A 34 -10.531 3.474 -5.867 1.00 13.52 H new ATOM 576 N GLN A 35 -13.071 0.798 -2.260 1.00 52.15 N ATOM 577 CA GLN A 35 -13.702 0.345 -1.006 1.00 20.50 C ATOM 578 C GLN A 35 -12.639 0.149 0.096 1.00 70.02 C ATOM 579 O GLN A 35 -12.719 0.735 1.178 1.00 45.44 O ATOM 580 CB GLN A 35 -14.488 -0.979 -1.260 1.00 21.44 C ATOM 581 CG GLN A 35 -15.108 -1.621 0.009 1.00 21.25 C ATOM 582 CD GLN A 35 -16.082 -0.694 0.757 1.00 74.45 C ATOM 583 OE1 GLN A 35 -16.786 0.120 0.161 1.00 70.45 O ATOM 584 NE2 GLN A 35 -16.113 -0.799 2.077 1.00 4.43 N ATOM 0 H GLN A 35 -13.038 0.078 -2.982 1.00 52.15 H new ATOM 0 HA GLN A 35 -14.402 1.108 -0.665 1.00 20.50 H new ATOM 0 HB2 GLN A 35 -15.285 -0.780 -1.976 1.00 21.44 H new ATOM 0 HB3 GLN A 35 -13.816 -1.701 -1.724 1.00 21.44 H new ATOM 0 HG2 GLN A 35 -15.634 -2.533 -0.275 1.00 21.25 H new ATOM 0 HG3 GLN A 35 -14.306 -1.914 0.687 1.00 21.25 H new ATOM 0 HE21 GLN A 35 -15.520 -1.482 2.548 1.00 4.43 H new ATOM 0 HE22 GLN A 35 -16.730 -0.197 2.622 1.00 4.43 H new ATOM 593 N GLN A 36 -11.641 -0.678 -0.223 1.00 74.32 N ATOM 594 CA GLN A 36 -10.546 -1.047 0.692 1.00 74.13 C ATOM 595 C GLN A 36 -9.459 0.048 0.766 1.00 55.43 C ATOM 596 O GLN A 36 -8.538 -0.069 1.577 1.00 21.31 O ATOM 597 CB GLN A 36 -9.988 -2.434 0.281 1.00 5.31 C ATOM 598 CG GLN A 36 -10.999 -3.599 0.503 1.00 10.14 C ATOM 599 CD GLN A 36 -10.659 -4.905 -0.233 1.00 51.22 C ATOM 600 OE1 GLN A 36 -10.915 -6.002 0.266 1.00 41.01 O ATOM 601 NE2 GLN A 36 -10.169 -4.807 -1.459 1.00 23.42 N ATOM 0 H GLN A 36 -11.565 -1.120 -1.139 1.00 74.32 H new ATOM 0 HA GLN A 36 -10.935 -1.125 1.707 1.00 74.13 H new ATOM 0 HB2 GLN A 36 -9.703 -2.406 -0.771 1.00 5.31 H new ATOM 0 HB3 GLN A 36 -9.081 -2.636 0.851 1.00 5.31 H new ATOM 0 HG2 GLN A 36 -11.061 -3.807 1.571 1.00 10.14 H new ATOM 0 HG3 GLN A 36 -11.987 -3.267 0.185 1.00 10.14 H new ATOM 0 HE21 GLN A 36 -9.964 -3.889 -1.854 1.00 23.42 H new ATOM 0 HE22 GLN A 36 -9.997 -5.649 -2.008 1.00 23.42 H new ATOM 610 N GLU A 37 -9.557 1.068 -0.130 1.00 74.11 N ATOM 611 CA GLU A 37 -8.701 2.285 -0.148 1.00 63.50 C ATOM 612 C GLU A 37 -8.506 2.877 1.256 1.00 64.44 C ATOM 613 O GLU A 37 -7.372 3.048 1.711 1.00 33.35 O ATOM 614 CB GLU A 37 -9.355 3.356 -1.070 1.00 54.34 C ATOM 615 CG GLU A 37 -8.584 4.683 -1.238 1.00 52.00 C ATOM 616 CD GLU A 37 -9.278 5.662 -2.203 1.00 64.42 C ATOM 617 OE1 GLU A 37 -9.629 6.792 -1.786 1.00 10.05 O ATOM 618 OE2 GLU A 37 -9.528 5.279 -3.370 1.00 62.23 O ATOM 0 H GLU A 37 -10.251 1.066 -0.878 1.00 74.11 H new ATOM 0 HA GLU A 37 -7.720 1.997 -0.525 1.00 63.50 H new ATOM 0 HB2 GLU A 37 -9.496 2.916 -2.057 1.00 54.34 H new ATOM 0 HB3 GLU A 37 -10.346 3.584 -0.678 1.00 54.34 H new ATOM 0 HG2 GLU A 37 -8.473 5.159 -0.264 1.00 52.00 H new ATOM 0 HG3 GLU A 37 -7.580 4.470 -1.605 1.00 52.00 H new ATOM 625 N VAL A 38 -9.637 3.135 1.942 1.00 53.23 N ATOM 626 CA VAL A 38 -9.650 3.746 3.280 1.00 42.21 C ATOM 627 C VAL A 38 -8.884 2.881 4.305 1.00 51.12 C ATOM 628 O VAL A 38 -8.081 3.406 5.082 1.00 51.12 O ATOM 629 CB VAL A 38 -11.123 4.032 3.777 1.00 12.33 C ATOM 630 CG1 VAL A 38 -11.810 5.081 2.876 1.00 74.41 C ATOM 631 CG2 VAL A 38 -11.979 2.743 3.870 1.00 32.03 C ATOM 0 H VAL A 38 -10.567 2.924 1.581 1.00 53.23 H new ATOM 0 HA VAL A 38 -9.135 4.703 3.198 1.00 42.21 H new ATOM 0 HB VAL A 38 -11.044 4.434 4.787 1.00 12.33 H new ATOM 0 HG11 VAL A 38 -12.823 5.263 3.236 1.00 74.41 H new ATOM 0 HG12 VAL A 38 -11.243 6.011 2.903 1.00 74.41 H new ATOM 0 HG13 VAL A 38 -11.850 4.710 1.852 1.00 74.41 H new ATOM 0 HG21 VAL A 38 -12.981 2.996 4.216 1.00 32.03 H new ATOM 0 HG22 VAL A 38 -12.042 2.276 2.887 1.00 32.03 H new ATOM 0 HG23 VAL A 38 -11.517 2.049 4.572 1.00 32.03 H new ATOM 641 N SER A 39 -9.100 1.550 4.238 1.00 62.05 N ATOM 642 CA SER A 39 -8.493 0.575 5.156 1.00 33.41 C ATOM 643 C SER A 39 -6.967 0.494 4.950 1.00 34.30 C ATOM 644 O SER A 39 -6.196 0.515 5.911 1.00 42.40 O ATOM 645 CB SER A 39 -9.140 -0.816 4.936 1.00 44.03 C ATOM 646 OG SER A 39 -10.553 -0.742 5.046 1.00 74.40 O ATOM 0 H SER A 39 -9.706 1.123 3.538 1.00 62.05 H new ATOM 0 HA SER A 39 -8.674 0.902 6.180 1.00 33.41 H new ATOM 0 HB2 SER A 39 -8.868 -1.196 3.951 1.00 44.03 H new ATOM 0 HB3 SER A 39 -8.751 -1.522 5.669 1.00 44.03 H new ATOM 0 HG SER A 39 -10.939 -1.631 4.902 1.00 74.40 H new ATOM 652 N TYR A 40 -6.567 0.439 3.670 1.00 12.51 N ATOM 653 CA TYR A 40 -5.168 0.275 3.247 1.00 62.10 C ATOM 654 C TYR A 40 -4.317 1.498 3.635 1.00 34.10 C ATOM 655 O TYR A 40 -3.258 1.349 4.259 1.00 43.43 O ATOM 656 CB TYR A 40 -5.120 0.036 1.716 1.00 2.31 C ATOM 657 CG TYR A 40 -3.715 -0.232 1.145 1.00 60.35 C ATOM 658 CD1 TYR A 40 -3.142 0.602 0.182 1.00 70.14 C ATOM 659 CD2 TYR A 40 -2.971 -1.340 1.554 1.00 0.03 C ATOM 660 CE1 TYR A 40 -1.895 0.336 -0.347 1.00 44.13 C ATOM 661 CE2 TYR A 40 -1.723 -1.596 1.031 1.00 72.21 C ATOM 662 CZ TYR A 40 -1.189 -0.762 0.078 1.00 5.34 C ATOM 663 OH TYR A 40 0.055 -1.031 -0.450 1.00 24.24 O ATOM 0 H TYR A 40 -7.217 0.508 2.887 1.00 12.51 H new ATOM 0 HA TYR A 40 -4.746 -0.588 3.761 1.00 62.10 H new ATOM 0 HB2 TYR A 40 -5.762 -0.811 1.475 1.00 2.31 H new ATOM 0 HB3 TYR A 40 -5.540 0.907 1.214 1.00 2.31 H new ATOM 0 HD1 TYR A 40 -3.685 1.472 -0.155 1.00 70.14 H new ATOM 0 HD2 TYR A 40 -3.382 -2.010 2.295 1.00 0.03 H new ATOM 0 HE1 TYR A 40 -1.475 0.992 -1.095 1.00 44.13 H new ATOM 0 HE2 TYR A 40 -1.162 -2.454 1.371 1.00 72.21 H new ATOM 0 HH TYR A 40 0.521 -0.189 -0.635 1.00 24.24 H new ATOM 673 N LEU A 41 -4.812 2.700 3.271 1.00 51.53 N ATOM 674 CA LEU A 41 -4.111 3.970 3.530 1.00 35.45 C ATOM 675 C LEU A 41 -4.064 4.279 5.044 1.00 4.23 C ATOM 676 O LEU A 41 -3.061 4.817 5.536 1.00 31.22 O ATOM 677 CB LEU A 41 -4.784 5.129 2.741 1.00 34.11 C ATOM 678 CG LEU A 41 -4.810 4.990 1.179 1.00 2.12 C ATOM 679 CD1 LEU A 41 -5.520 6.198 0.521 1.00 5.11 C ATOM 680 CD2 LEU A 41 -3.388 4.790 0.601 1.00 10.35 C ATOM 0 H LEU A 41 -5.705 2.814 2.792 1.00 51.53 H new ATOM 0 HA LEU A 41 -3.082 3.872 3.183 1.00 35.45 H new ATOM 0 HB2 LEU A 41 -5.811 5.229 3.092 1.00 34.11 H new ATOM 0 HB3 LEU A 41 -4.270 6.057 2.992 1.00 34.11 H new ATOM 0 HG LEU A 41 -5.386 4.096 0.940 1.00 2.12 H new ATOM 0 HD11 LEU A 41 -5.522 6.073 -0.562 1.00 5.11 H new ATOM 0 HD12 LEU A 41 -6.547 6.257 0.882 1.00 5.11 H new ATOM 0 HD13 LEU A 41 -4.991 7.116 0.779 1.00 5.11 H new ATOM 0 HD21 LEU A 41 -3.446 4.698 -0.484 1.00 10.35 H new ATOM 0 HD22 LEU A 41 -2.766 5.647 0.860 1.00 10.35 H new ATOM 0 HD23 LEU A 41 -2.949 3.884 1.019 1.00 10.35 H new ATOM 692 N GLN A 42 -5.150 3.919 5.775 1.00 20.10 N ATOM 693 CA GLN A 42 -5.207 4.048 7.251 1.00 22.33 C ATOM 694 C GLN A 42 -4.132 3.170 7.923 1.00 52.44 C ATOM 695 O GLN A 42 -3.425 3.627 8.832 1.00 72.32 O ATOM 696 CB GLN A 42 -6.618 3.682 7.776 1.00 4.31 C ATOM 697 CG GLN A 42 -6.783 3.754 9.307 1.00 1.41 C ATOM 698 CD GLN A 42 -8.206 3.444 9.772 1.00 41.32 C ATOM 699 OE1 GLN A 42 -9.040 4.340 9.918 1.00 12.25 O ATOM 700 NE2 GLN A 42 -8.508 2.172 9.973 1.00 51.43 N ATOM 0 H GLN A 42 -6.000 3.536 5.362 1.00 20.10 H new ATOM 0 HA GLN A 42 -5.003 5.087 7.508 1.00 22.33 H new ATOM 0 HB2 GLN A 42 -7.345 4.351 7.316 1.00 4.31 H new ATOM 0 HB3 GLN A 42 -6.861 2.672 7.447 1.00 4.31 H new ATOM 0 HG2 GLN A 42 -6.093 3.051 9.774 1.00 1.41 H new ATOM 0 HG3 GLN A 42 -6.504 4.750 9.650 1.00 1.41 H new ATOM 0 HE21 GLN A 42 -7.797 1.452 9.844 1.00 51.43 H new ATOM 0 HE22 GLN A 42 -9.452 1.911 10.257 1.00 51.43 H new ATOM 709 N SER A 43 -4.002 1.917 7.442 1.00 32.24 N ATOM 710 CA SER A 43 -2.994 0.962 7.939 1.00 31.44 C ATOM 711 C SER A 43 -1.562 1.494 7.688 1.00 4.15 C ATOM 712 O SER A 43 -0.691 1.407 8.568 1.00 25.22 O ATOM 713 CB SER A 43 -3.197 -0.415 7.276 1.00 20.44 C ATOM 714 OG SER A 43 -4.494 -0.927 7.537 1.00 60.51 O ATOM 0 H SER A 43 -4.592 1.541 6.700 1.00 32.24 H new ATOM 0 HA SER A 43 -3.121 0.848 9.016 1.00 31.44 H new ATOM 0 HB2 SER A 43 -3.048 -0.328 6.200 1.00 20.44 H new ATOM 0 HB3 SER A 43 -2.447 -1.113 7.647 1.00 20.44 H new ATOM 0 HG SER A 43 -5.152 -0.440 6.999 1.00 60.51 H new ATOM 720 N ILE A 44 -1.358 2.073 6.483 1.00 72.45 N ATOM 721 CA ILE A 44 -0.080 2.675 6.053 1.00 64.33 C ATOM 722 C ILE A 44 0.361 3.805 7.014 1.00 12.42 C ATOM 723 O ILE A 44 1.479 3.768 7.561 1.00 11.24 O ATOM 724 CB ILE A 44 -0.187 3.192 4.550 1.00 75.41 C ATOM 725 CG1 ILE A 44 -0.061 1.988 3.553 1.00 62.42 C ATOM 726 CG2 ILE A 44 0.827 4.321 4.217 1.00 63.54 C ATOM 727 CD1 ILE A 44 -0.124 2.348 2.072 1.00 25.54 C ATOM 0 H ILE A 44 -2.088 2.135 5.774 1.00 72.45 H new ATOM 0 HA ILE A 44 0.691 1.905 6.090 1.00 64.33 H new ATOM 0 HB ILE A 44 -1.173 3.642 4.435 1.00 75.41 H new ATOM 0 HG12 ILE A 44 0.883 1.478 3.745 1.00 62.42 H new ATOM 0 HG13 ILE A 44 -0.857 1.276 3.769 1.00 62.42 H new ATOM 0 HG21 ILE A 44 0.702 4.628 3.179 1.00 63.54 H new ATOM 0 HG22 ILE A 44 0.649 5.174 4.872 1.00 63.54 H new ATOM 0 HG23 ILE A 44 1.842 3.954 4.367 1.00 63.54 H new ATOM 0 HD11 ILE A 44 -0.027 1.443 1.473 1.00 25.54 H new ATOM 0 HD12 ILE A 44 -1.079 2.827 1.854 1.00 25.54 H new ATOM 0 HD13 ILE A 44 0.689 3.032 1.829 1.00 25.54 H new ATOM 739 N GLU A 45 -0.538 4.777 7.247 1.00 74.04 N ATOM 740 CA GLU A 45 -0.214 5.971 8.047 1.00 42.13 C ATOM 741 C GLU A 45 -0.019 5.607 9.537 1.00 11.41 C ATOM 742 O GLU A 45 0.888 6.138 10.184 1.00 0.11 O ATOM 743 CB GLU A 45 -1.294 7.077 7.859 1.00 50.22 C ATOM 744 CG GLU A 45 -2.708 6.690 8.331 1.00 31.11 C ATOM 745 CD GLU A 45 -3.786 7.704 7.931 1.00 3.32 C ATOM 746 OE1 GLU A 45 -4.032 8.656 8.695 1.00 14.20 O ATOM 747 OE2 GLU A 45 -4.405 7.541 6.859 1.00 34.34 O ATOM 0 H GLU A 45 -1.494 4.759 6.893 1.00 74.04 H new ATOM 0 HA GLU A 45 0.732 6.374 7.686 1.00 42.13 H new ATOM 0 HB2 GLU A 45 -0.978 7.969 8.400 1.00 50.22 H new ATOM 0 HB3 GLU A 45 -1.340 7.344 6.803 1.00 50.22 H new ATOM 0 HG2 GLU A 45 -2.966 5.715 7.917 1.00 31.11 H new ATOM 0 HG3 GLU A 45 -2.704 6.585 9.416 1.00 31.11 H new ATOM 754 N THR A 46 -0.831 4.652 10.054 1.00 3.34 N ATOM 755 CA THR A 46 -0.776 4.265 11.479 1.00 13.14 C ATOM 756 C THR A 46 0.495 3.435 11.795 1.00 12.42 C ATOM 757 O THR A 46 1.068 3.565 12.887 1.00 71.15 O ATOM 758 CB THR A 46 -2.082 3.510 11.934 1.00 23.40 C ATOM 759 OG1 THR A 46 -2.159 3.463 13.366 1.00 24.12 O ATOM 760 CG2 THR A 46 -2.182 2.077 11.390 1.00 35.34 C ATOM 0 H THR A 46 -1.525 4.141 9.508 1.00 3.34 H new ATOM 0 HA THR A 46 -0.719 5.187 12.057 1.00 13.14 H new ATOM 0 HB THR A 46 -2.913 4.080 11.518 1.00 23.40 H new ATOM 0 HG1 THR A 46 -2.976 2.993 13.634 1.00 24.12 H new ATOM 0 HG21 THR A 46 -3.105 1.617 11.743 1.00 35.34 H new ATOM 0 HG22 THR A 46 -2.182 2.101 10.300 1.00 35.34 H new ATOM 0 HG23 THR A 46 -1.330 1.495 11.740 1.00 35.34 H new ATOM 768 N VAL A 47 0.961 2.596 10.831 1.00 53.00 N ATOM 769 CA VAL A 47 2.172 1.771 11.040 1.00 35.51 C ATOM 770 C VAL A 47 3.450 2.619 10.867 1.00 74.42 C ATOM 771 O VAL A 47 4.432 2.410 11.579 1.00 45.42 O ATOM 772 CB VAL A 47 2.234 0.511 10.094 1.00 73.33 C ATOM 773 CG1 VAL A 47 2.674 0.878 8.659 1.00 63.42 C ATOM 774 CG2 VAL A 47 3.149 -0.583 10.684 1.00 54.13 C ATOM 0 H VAL A 47 0.522 2.477 9.918 1.00 53.00 H new ATOM 0 HA VAL A 47 2.113 1.402 12.064 1.00 35.51 H new ATOM 0 HB VAL A 47 1.221 0.115 10.029 1.00 73.33 H new ATOM 0 HG11 VAL A 47 2.702 -0.022 8.045 1.00 63.42 H new ATOM 0 HG12 VAL A 47 1.965 1.587 8.231 1.00 63.42 H new ATOM 0 HG13 VAL A 47 3.666 1.329 8.687 1.00 63.42 H new ATOM 0 HG21 VAL A 47 3.173 -1.440 10.011 1.00 54.13 H new ATOM 0 HG22 VAL A 47 4.158 -0.188 10.804 1.00 54.13 H new ATOM 0 HG23 VAL A 47 2.764 -0.895 11.655 1.00 54.13 H new ATOM 784 N MET A 48 3.423 3.573 9.901 1.00 72.30 N ATOM 785 CA MET A 48 4.554 4.483 9.655 1.00 14.22 C ATOM 786 C MET A 48 4.711 5.440 10.848 1.00 12.05 C ATOM 787 O MET A 48 5.823 5.823 11.205 1.00 11.31 O ATOM 788 CB MET A 48 4.362 5.261 8.329 1.00 42.12 C ATOM 789 CG MET A 48 5.521 6.209 7.971 1.00 21.14 C ATOM 790 SD MET A 48 5.332 6.974 6.346 1.00 22.32 S ATOM 791 CE MET A 48 5.570 5.576 5.247 1.00 74.20 C ATOM 0 H MET A 48 2.626 3.726 9.283 1.00 72.30 H new ATOM 0 HA MET A 48 5.468 3.897 9.554 1.00 14.22 H new ATOM 0 HB2 MET A 48 4.232 4.545 7.518 1.00 42.12 H new ATOM 0 HB3 MET A 48 3.441 5.841 8.393 1.00 42.12 H new ATOM 0 HG2 MET A 48 5.591 6.990 8.728 1.00 21.14 H new ATOM 0 HG3 MET A 48 6.459 5.654 7.998 1.00 21.14 H new ATOM 0 HE1 MET A 48 6.412 5.774 4.583 1.00 74.20 H new ATOM 0 HE2 MET A 48 5.774 4.681 5.835 1.00 74.20 H new ATOM 0 HE3 MET A 48 4.669 5.422 4.654 1.00 74.20 H new ATOM 801 N GLU A 49 3.573 5.775 11.483 1.00 52.02 N ATOM 802 CA GLU A 49 3.542 6.567 12.725 1.00 44.40 C ATOM 803 C GLU A 49 4.277 5.835 13.867 1.00 3.12 C ATOM 804 O GLU A 49 4.927 6.465 14.711 1.00 62.33 O ATOM 805 CB GLU A 49 2.075 6.853 13.136 1.00 31.45 C ATOM 806 CG GLU A 49 1.922 7.700 14.415 1.00 25.31 C ATOM 807 CD GLU A 49 0.467 7.892 14.843 1.00 23.43 C ATOM 808 OE1 GLU A 49 -0.175 8.869 14.409 1.00 61.04 O ATOM 809 OE2 GLU A 49 -0.042 7.061 15.613 1.00 22.10 O ATOM 0 H GLU A 49 2.648 5.504 11.149 1.00 52.02 H new ATOM 0 HA GLU A 49 4.054 7.511 12.540 1.00 44.40 H new ATOM 0 HB2 GLU A 49 1.574 7.365 12.314 1.00 31.45 H new ATOM 0 HB3 GLU A 49 1.560 5.903 13.281 1.00 31.45 H new ATOM 0 HG2 GLU A 49 2.472 7.223 15.226 1.00 25.31 H new ATOM 0 HG3 GLU A 49 2.377 8.677 14.252 1.00 25.31 H new ATOM 923 N THR A 57 14.888 -6.479 17.000 1.00 41.35 N ATOM 924 CA THR A 57 15.136 -7.930 17.140 1.00 61.32 C ATOM 925 C THR A 57 14.937 -8.625 15.787 1.00 25.03 C ATOM 926 O THR A 57 14.022 -8.254 15.060 1.00 71.01 O ATOM 927 CB THR A 57 14.162 -8.557 18.191 1.00 31.31 C ATOM 928 OG1 THR A 57 12.811 -8.372 17.754 1.00 1.25 O ATOM 929 CG2 THR A 57 14.321 -7.928 19.587 1.00 23.52 C ATOM 0 HA THR A 57 16.162 -8.072 17.480 1.00 61.32 H new ATOM 0 HB THR A 57 14.407 -9.616 18.270 1.00 31.31 H new ATOM 0 HG1 THR A 57 12.763 -7.596 17.158 1.00 1.25 H new ATOM 0 HG21 THR A 57 13.623 -8.398 20.280 1.00 23.52 H new ATOM 0 HG22 THR A 57 15.341 -8.080 19.941 1.00 23.52 H new ATOM 0 HG23 THR A 57 14.112 -6.860 19.531 1.00 23.52 H new ATOM 937 N ARG A 58 15.786 -9.641 15.485 1.00 54.05 N ATOM 938 CA ARG A 58 15.738 -10.414 14.221 1.00 72.13 C ATOM 939 C ARG A 58 14.323 -10.933 13.927 1.00 24.44 C ATOM 940 O ARG A 58 13.911 -10.930 12.778 1.00 61.53 O ATOM 941 CB ARG A 58 16.780 -11.591 14.243 1.00 52.13 C ATOM 942 CG ARG A 58 16.738 -12.581 13.025 1.00 60.24 C ATOM 943 CD ARG A 58 15.784 -13.791 13.241 1.00 74.34 C ATOM 944 NE ARG A 58 15.462 -14.493 11.985 1.00 64.04 N ATOM 945 CZ ARG A 58 14.366 -15.250 11.779 1.00 24.24 C ATOM 946 NH1 ARG A 58 13.456 -15.420 12.735 1.00 25.11 N ATOM 947 NH2 ARG A 58 14.178 -15.841 10.608 1.00 43.04 N ATOM 0 H ARG A 58 16.526 -9.947 16.116 1.00 54.05 H new ATOM 0 HA ARG A 58 16.009 -9.736 13.411 1.00 72.13 H new ATOM 0 HB2 ARG A 58 17.780 -11.161 14.300 1.00 52.13 H new ATOM 0 HB3 ARG A 58 16.627 -12.166 15.156 1.00 52.13 H new ATOM 0 HG2 ARG A 58 16.425 -12.036 12.135 1.00 60.24 H new ATOM 0 HG3 ARG A 58 17.745 -12.952 12.834 1.00 60.24 H new ATOM 0 HD2 ARG A 58 16.245 -14.492 13.936 1.00 74.34 H new ATOM 0 HD3 ARG A 58 14.861 -13.443 13.705 1.00 74.34 H new ATOM 0 HE ARG A 58 16.120 -14.398 11.212 1.00 64.04 H new ATOM 0 HH11 ARG A 58 13.581 -14.973 13.643 1.00 25.11 H new ATOM 0 HH12 ARG A 58 12.633 -15.997 12.559 1.00 25.11 H new ATOM 0 HH21 ARG A 58 14.863 -15.723 9.862 1.00 43.04 H new ATOM 0 HH22 ARG A 58 13.348 -16.414 10.453 1.00 43.04 H new ATOM 961 N SER A 59 13.606 -11.385 14.973 1.00 0.23 N ATOM 962 CA SER A 59 12.256 -11.957 14.833 1.00 13.15 C ATOM 963 C SER A 59 11.286 -10.954 14.175 1.00 2.45 C ATOM 964 O SER A 59 10.749 -11.213 13.077 1.00 4.21 O ATOM 965 CB SER A 59 11.732 -12.382 16.222 1.00 1.41 C ATOM 966 OG SER A 59 12.682 -13.193 16.893 1.00 41.21 O ATOM 0 H SER A 59 13.946 -11.364 15.935 1.00 0.23 H new ATOM 0 HA SER A 59 12.315 -12.830 14.183 1.00 13.15 H new ATOM 0 HB2 SER A 59 11.516 -11.497 16.820 1.00 1.41 H new ATOM 0 HB3 SER A 59 10.795 -12.928 16.111 1.00 1.41 H new ATOM 0 HG SER A 59 12.331 -13.450 17.771 1.00 41.21 H new ATOM 972 N ILE A 60 11.139 -9.779 14.832 1.00 20.22 N ATOM 973 CA ILE A 60 10.257 -8.695 14.371 1.00 41.53 C ATOM 974 C ILE A 60 10.763 -8.163 13.017 1.00 64.05 C ATOM 975 O ILE A 60 9.994 -8.047 12.077 1.00 72.14 O ATOM 976 CB ILE A 60 10.188 -7.513 15.414 1.00 50.22 C ATOM 977 CG1 ILE A 60 9.752 -8.028 16.823 1.00 0.35 C ATOM 978 CG2 ILE A 60 9.239 -6.390 14.919 1.00 14.42 C ATOM 979 CD1 ILE A 60 9.810 -6.976 17.924 1.00 22.11 C ATOM 0 H ILE A 60 11.632 -9.562 15.698 1.00 20.22 H new ATOM 0 HA ILE A 60 9.252 -9.102 14.263 1.00 41.53 H new ATOM 0 HB ILE A 60 11.190 -7.093 15.506 1.00 50.22 H new ATOM 0 HG12 ILE A 60 8.734 -8.411 16.757 1.00 0.35 H new ATOM 0 HG13 ILE A 60 10.390 -8.866 17.104 1.00 0.35 H new ATOM 0 HG21 ILE A 60 9.209 -5.588 15.656 1.00 14.42 H new ATOM 0 HG22 ILE A 60 9.604 -5.998 13.970 1.00 14.42 H new ATOM 0 HG23 ILE A 60 8.236 -6.795 14.783 1.00 14.42 H new ATOM 0 HD11 ILE A 60 9.491 -7.419 18.868 1.00 22.11 H new ATOM 0 HD12 ILE A 60 10.831 -6.608 18.023 1.00 22.11 H new ATOM 0 HD13 ILE A 60 9.149 -6.147 17.671 1.00 22.11 H new ATOM 991 N GLN A 61 12.085 -7.895 12.959 1.00 23.03 N ATOM 992 CA GLN A 61 12.810 -7.412 11.762 1.00 1.12 C ATOM 993 C GLN A 61 12.473 -8.263 10.525 1.00 42.31 C ATOM 994 O GLN A 61 12.097 -7.721 9.497 1.00 23.23 O ATOM 995 CB GLN A 61 14.348 -7.426 12.060 1.00 73.01 C ATOM 996 CG GLN A 61 15.293 -6.749 11.023 1.00 1.21 C ATOM 997 CD GLN A 61 15.610 -7.584 9.769 1.00 50.00 C ATOM 998 OE1 GLN A 61 16.546 -8.386 9.764 1.00 33.44 O ATOM 999 NE2 GLN A 61 14.866 -7.388 8.694 1.00 31.04 N ATOM 0 H GLN A 61 12.696 -8.012 13.767 1.00 23.03 H new ATOM 0 HA GLN A 61 12.497 -6.392 11.538 1.00 1.12 H new ATOM 0 HB2 GLN A 61 14.507 -6.943 13.024 1.00 73.01 H new ATOM 0 HB3 GLN A 61 14.659 -8.465 12.169 1.00 73.01 H new ATOM 0 HG2 GLN A 61 14.842 -5.808 10.707 1.00 1.21 H new ATOM 0 HG3 GLN A 61 16.231 -6.502 11.520 1.00 1.21 H new ATOM 0 HE21 GLN A 61 14.096 -6.719 8.721 1.00 31.04 H new ATOM 0 HE22 GLN A 61 15.061 -7.906 7.837 1.00 31.04 H new ATOM 1008 N ASP A 62 12.558 -9.600 10.681 1.00 21.33 N ATOM 1009 CA ASP A 62 12.452 -10.566 9.569 1.00 63.12 C ATOM 1010 C ASP A 62 10.999 -10.710 9.101 1.00 1.12 C ATOM 1011 O ASP A 62 10.732 -10.643 7.892 1.00 50.53 O ATOM 1012 CB ASP A 62 13.027 -11.948 9.992 1.00 10.31 C ATOM 1013 CG ASP A 62 12.971 -12.997 8.866 1.00 34.30 C ATOM 1014 OD1 ASP A 62 12.203 -13.983 8.972 1.00 11.14 O ATOM 1015 OD2 ASP A 62 13.704 -12.843 7.870 1.00 54.33 O ATOM 0 H ASP A 62 12.703 -10.042 11.589 1.00 21.33 H new ATOM 0 HA ASP A 62 13.040 -10.185 8.734 1.00 63.12 H new ATOM 0 HB2 ASP A 62 14.061 -11.822 10.311 1.00 10.31 H new ATOM 0 HB3 ASP A 62 12.470 -12.318 10.853 1.00 10.31 H new ATOM 1020 N MET A 63 10.064 -10.898 10.067 1.00 71.43 N ATOM 1021 CA MET A 63 8.620 -11.026 9.759 1.00 24.44 C ATOM 1022 C MET A 63 8.096 -9.749 9.077 1.00 23.54 C ATOM 1023 O MET A 63 7.469 -9.813 8.012 1.00 20.12 O ATOM 1024 CB MET A 63 7.802 -11.349 11.040 1.00 21.02 C ATOM 1025 CG MET A 63 8.072 -12.739 11.632 1.00 20.13 C ATOM 1026 SD MET A 63 7.061 -13.082 13.091 1.00 3.51 S ATOM 1027 CE MET A 63 7.713 -11.923 14.301 1.00 10.24 C ATOM 0 H MET A 63 10.285 -10.964 11.061 1.00 71.43 H new ATOM 0 HA MET A 63 8.494 -11.858 9.066 1.00 24.44 H new ATOM 0 HB2 MET A 63 8.023 -10.596 11.797 1.00 21.02 H new ATOM 0 HB3 MET A 63 6.740 -11.266 10.809 1.00 21.02 H new ATOM 0 HG2 MET A 63 7.877 -13.497 10.873 1.00 20.13 H new ATOM 0 HG3 MET A 63 9.126 -12.818 11.898 1.00 20.13 H new ATOM 0 HE1 MET A 63 7.138 -11.999 15.224 1.00 10.24 H new ATOM 0 HE2 MET A 63 8.758 -12.158 14.504 1.00 10.24 H new ATOM 0 HE3 MET A 63 7.639 -10.908 13.910 1.00 10.24 H new ATOM 1037 N VAL A 64 8.420 -8.595 9.687 1.00 33.32 N ATOM 1038 CA VAL A 64 8.064 -7.263 9.175 1.00 33.11 C ATOM 1039 C VAL A 64 8.719 -7.001 7.810 1.00 43.21 C ATOM 1040 O VAL A 64 8.072 -6.460 6.931 1.00 11.41 O ATOM 1041 CB VAL A 64 8.440 -6.150 10.231 1.00 33.31 C ATOM 1042 CG1 VAL A 64 8.517 -4.731 9.630 1.00 62.12 C ATOM 1043 CG2 VAL A 64 7.443 -6.199 11.418 1.00 21.32 C ATOM 0 H VAL A 64 8.944 -8.563 10.562 1.00 33.32 H new ATOM 0 HA VAL A 64 6.985 -7.227 9.022 1.00 33.11 H new ATOM 0 HB VAL A 64 9.446 -6.372 10.585 1.00 33.31 H new ATOM 0 HG11 VAL A 64 8.780 -4.018 10.412 1.00 62.12 H new ATOM 0 HG12 VAL A 64 9.276 -4.708 8.848 1.00 62.12 H new ATOM 0 HG13 VAL A 64 7.550 -4.463 9.205 1.00 62.12 H new ATOM 0 HG21 VAL A 64 7.705 -5.430 12.145 1.00 21.32 H new ATOM 0 HG22 VAL A 64 6.432 -6.023 11.051 1.00 21.32 H new ATOM 0 HG23 VAL A 64 7.491 -7.179 11.893 1.00 21.32 H new ATOM 1053 N ALA A 65 9.985 -7.438 7.634 1.00 62.24 N ATOM 1054 CA ALA A 65 10.712 -7.296 6.347 1.00 43.24 C ATOM 1055 C ALA A 65 10.045 -8.128 5.249 1.00 33.33 C ATOM 1056 O ALA A 65 10.118 -7.766 4.076 1.00 33.31 O ATOM 1057 CB ALA A 65 12.184 -7.705 6.481 1.00 33.21 C ATOM 0 H ALA A 65 10.528 -7.894 8.367 1.00 62.24 H new ATOM 0 HA ALA A 65 10.672 -6.242 6.072 1.00 43.24 H new ATOM 0 HB1 ALA A 65 12.683 -7.588 5.519 1.00 33.21 H new ATOM 0 HB2 ALA A 65 12.671 -7.072 7.222 1.00 33.21 H new ATOM 0 HB3 ALA A 65 12.245 -8.746 6.797 1.00 33.21 H new ATOM 1063 N GLY A 66 9.422 -9.258 5.656 1.00 64.41 N ATOM 1064 CA GLY A 66 8.626 -10.090 4.754 1.00 62.41 C ATOM 1065 C GLY A 66 7.347 -9.396 4.325 1.00 31.20 C ATOM 1066 O GLY A 66 6.981 -9.427 3.149 1.00 74.03 O ATOM 0 H GLY A 66 9.462 -9.608 6.613 1.00 64.41 H new ATOM 0 HA2 GLY A 66 9.217 -10.338 3.873 1.00 62.41 H new ATOM 0 HA3 GLY A 66 8.381 -11.030 5.249 1.00 62.41 H new ATOM 1070 N TYR A 67 6.690 -8.732 5.291 1.00 41.31 N ATOM 1071 CA TYR A 67 5.466 -7.946 5.040 1.00 51.34 C ATOM 1072 C TYR A 67 5.777 -6.671 4.234 1.00 12.20 C ATOM 1073 O TYR A 67 4.927 -6.173 3.500 1.00 71.32 O ATOM 1074 CB TYR A 67 4.797 -7.567 6.376 1.00 12.03 C ATOM 1075 CG TYR A 67 4.454 -8.756 7.291 1.00 2.55 C ATOM 1076 CD1 TYR A 67 4.593 -8.660 8.679 1.00 65.45 C ATOM 1077 CD2 TYR A 67 3.991 -9.971 6.769 1.00 31.21 C ATOM 1078 CE1 TYR A 67 4.288 -9.721 9.505 1.00 72.12 C ATOM 1079 CE2 TYR A 67 3.685 -11.037 7.599 1.00 42.03 C ATOM 1080 CZ TYR A 67 3.833 -10.905 8.966 1.00 2.05 C ATOM 1081 OH TYR A 67 3.524 -11.966 9.794 1.00 1.55 O ATOM 0 H TYR A 67 6.990 -8.724 6.266 1.00 41.31 H new ATOM 0 HA TYR A 67 4.785 -8.563 4.454 1.00 51.34 H new ATOM 0 HB2 TYR A 67 5.458 -6.890 6.917 1.00 12.03 H new ATOM 0 HB3 TYR A 67 3.881 -7.016 6.163 1.00 12.03 H new ATOM 0 HD1 TYR A 67 4.946 -7.736 9.113 1.00 65.45 H new ATOM 0 HD2 TYR A 67 3.871 -10.078 5.701 1.00 31.21 H new ATOM 0 HE1 TYR A 67 4.406 -9.624 10.574 1.00 72.12 H new ATOM 0 HE2 TYR A 67 3.332 -11.967 7.179 1.00 42.03 H new ATOM 0 HH TYR A 67 3.217 -12.724 9.254 1.00 1.55 H new ATOM 1091 N ILE A 68 7.013 -6.171 4.411 1.00 21.13 N ATOM 1092 CA ILE A 68 7.557 -5.001 3.704 1.00 4.34 C ATOM 1093 C ILE A 68 7.921 -5.389 2.266 1.00 22.21 C ATOM 1094 O ILE A 68 7.681 -4.624 1.336 1.00 62.11 O ATOM 1095 CB ILE A 68 8.806 -4.403 4.481 1.00 11.33 C ATOM 1096 CG1 ILE A 68 8.316 -3.591 5.730 1.00 0.33 C ATOM 1097 CG2 ILE A 68 9.739 -3.557 3.575 1.00 62.04 C ATOM 1098 CD1 ILE A 68 9.417 -2.977 6.575 1.00 21.25 C ATOM 0 H ILE A 68 7.677 -6.581 5.067 1.00 21.13 H new ATOM 0 HA ILE A 68 6.797 -4.221 3.667 1.00 4.34 H new ATOM 0 HB ILE A 68 9.414 -5.242 4.819 1.00 11.33 H new ATOM 0 HG12 ILE A 68 7.655 -2.794 5.389 1.00 0.33 H new ATOM 0 HG13 ILE A 68 7.721 -4.251 6.361 1.00 0.33 H new ATOM 0 HG21 ILE A 68 10.573 -3.177 4.165 1.00 62.04 H new ATOM 0 HG22 ILE A 68 10.121 -4.178 2.765 1.00 62.04 H new ATOM 0 HG23 ILE A 68 9.179 -2.720 3.157 1.00 62.04 H new ATOM 0 HD11 ILE A 68 8.975 -2.438 7.413 1.00 21.25 H new ATOM 0 HD12 ILE A 68 10.067 -3.765 6.954 1.00 21.25 H new ATOM 0 HD13 ILE A 68 10.001 -2.286 5.966 1.00 21.25 H new ATOM 1110 N LYS A 69 8.470 -6.603 2.105 1.00 23.14 N ATOM 1111 CA LYS A 69 8.804 -7.170 0.796 1.00 51.12 C ATOM 1112 C LYS A 69 7.519 -7.313 -0.034 1.00 23.41 C ATOM 1113 O LYS A 69 7.455 -6.889 -1.206 1.00 21.25 O ATOM 1114 CB LYS A 69 9.522 -8.541 0.989 1.00 62.03 C ATOM 1115 CG LYS A 69 9.914 -9.279 -0.313 1.00 13.34 C ATOM 1116 CD LYS A 69 10.814 -8.440 -1.248 1.00 55.34 C ATOM 1117 CE LYS A 69 12.161 -8.073 -0.611 1.00 64.35 C ATOM 1118 NZ LYS A 69 12.930 -7.149 -1.478 1.00 64.51 N ATOM 0 H LYS A 69 8.695 -7.220 2.886 1.00 23.14 H new ATOM 0 HA LYS A 69 9.485 -6.510 0.258 1.00 51.12 H new ATOM 0 HB2 LYS A 69 10.424 -8.379 1.579 1.00 62.03 H new ATOM 0 HB3 LYS A 69 8.872 -9.192 1.573 1.00 62.03 H new ATOM 0 HG2 LYS A 69 10.432 -10.203 -0.056 1.00 13.34 H new ATOM 0 HG3 LYS A 69 9.008 -9.560 -0.849 1.00 13.34 H new ATOM 0 HD2 LYS A 69 10.993 -8.997 -2.168 1.00 55.34 H new ATOM 0 HD3 LYS A 69 10.289 -7.526 -1.526 1.00 55.34 H new ATOM 0 HE2 LYS A 69 11.992 -7.608 0.361 1.00 64.35 H new ATOM 0 HE3 LYS A 69 12.742 -8.978 -0.435 1.00 64.35 H new ATOM 0 HZ1 LYS A 69 13.836 -6.918 -1.022 1.00 64.51 H new ATOM 0 HZ2 LYS A 69 13.110 -7.603 -2.396 1.00 64.51 H new ATOM 0 HZ3 LYS A 69 12.384 -6.276 -1.625 1.00 64.51 H new ATOM 1132 N GLN A 70 6.485 -7.853 0.636 1.00 2.35 N ATOM 1133 CA GLN A 70 5.157 -8.022 0.063 1.00 1.50 C ATOM 1134 C GLN A 70 4.563 -6.665 -0.327 1.00 11.00 C ATOM 1135 O GLN A 70 4.328 -6.439 -1.500 1.00 20.52 O ATOM 1136 CB GLN A 70 4.223 -8.765 1.054 1.00 25.55 C ATOM 1137 CG GLN A 70 4.492 -10.280 1.170 1.00 15.13 C ATOM 1138 CD GLN A 70 4.169 -11.047 -0.122 1.00 13.14 C ATOM 1139 OE1 GLN A 70 3.243 -10.684 -0.862 1.00 13.42 O ATOM 1140 NE2 GLN A 70 4.917 -12.105 -0.406 1.00 2.41 N ATOM 0 H GLN A 70 6.559 -8.184 1.598 1.00 2.35 H new ATOM 0 HA GLN A 70 5.247 -8.628 -0.838 1.00 1.50 H new ATOM 0 HB2 GLN A 70 4.327 -8.313 2.041 1.00 25.55 H new ATOM 0 HB3 GLN A 70 3.189 -8.615 0.742 1.00 25.55 H new ATOM 0 HG2 GLN A 70 5.539 -10.439 1.428 1.00 15.13 H new ATOM 0 HG3 GLN A 70 3.897 -10.688 1.987 1.00 15.13 H new ATOM 0 HE21 GLN A 70 5.672 -12.379 0.222 1.00 2.41 H new ATOM 0 HE22 GLN A 70 4.737 -12.644 -1.253 1.00 2.41 H new ATOM 1149 N THR A 71 4.392 -5.749 0.651 1.00 24.13 N ATOM 1150 CA THR A 71 3.672 -4.488 0.410 1.00 31.21 C ATOM 1151 C THR A 71 4.376 -3.610 -0.637 1.00 74.25 C ATOM 1152 O THR A 71 3.709 -3.023 -1.461 1.00 45.21 O ATOM 1153 CB THR A 71 3.387 -3.655 1.704 1.00 43.32 C ATOM 1154 OG1 THR A 71 2.524 -2.554 1.373 1.00 74.21 O ATOM 1155 CG2 THR A 71 4.649 -3.108 2.386 1.00 42.41 C ATOM 0 H THR A 71 4.740 -5.861 1.603 1.00 24.13 H new ATOM 0 HA THR A 71 2.704 -4.800 0.019 1.00 31.21 H new ATOM 0 HB THR A 71 2.920 -4.338 2.413 1.00 43.32 H new ATOM 0 HG1 THR A 71 2.989 -1.709 1.550 1.00 74.21 H new ATOM 0 HG21 THR A 71 4.367 -2.543 3.274 1.00 42.41 H new ATOM 0 HG22 THR A 71 5.295 -3.937 2.674 1.00 42.41 H new ATOM 0 HG23 THR A 71 5.182 -2.455 1.695 1.00 42.41 H new ATOM 1163 N LEU A 72 5.725 -3.562 -0.614 1.00 45.05 N ATOM 1164 CA LEU A 72 6.504 -2.758 -1.579 1.00 54.01 C ATOM 1165 C LEU A 72 6.421 -3.327 -2.999 1.00 53.50 C ATOM 1166 O LEU A 72 6.291 -2.559 -3.949 1.00 11.21 O ATOM 1167 CB LEU A 72 7.989 -2.616 -1.139 1.00 32.32 C ATOM 1168 CG LEU A 72 8.242 -1.673 0.076 1.00 25.14 C ATOM 1169 CD1 LEU A 72 9.746 -1.571 0.407 1.00 2.41 C ATOM 1170 CD2 LEU A 72 7.622 -0.283 -0.177 1.00 24.53 C ATOM 0 H LEU A 72 6.296 -4.070 0.061 1.00 45.05 H new ATOM 0 HA LEU A 72 6.054 -1.765 -1.590 1.00 54.01 H new ATOM 0 HB2 LEU A 72 8.373 -3.606 -0.894 1.00 32.32 H new ATOM 0 HB3 LEU A 72 8.568 -2.250 -1.987 1.00 32.32 H new ATOM 0 HG LEU A 72 7.751 -2.106 0.948 1.00 25.14 H new ATOM 0 HD11 LEU A 72 9.887 -0.906 1.259 1.00 2.41 H new ATOM 0 HD12 LEU A 72 10.133 -2.560 0.651 1.00 2.41 H new ATOM 0 HD13 LEU A 72 10.282 -1.175 -0.455 1.00 2.41 H new ATOM 0 HD21 LEU A 72 7.809 0.361 0.682 1.00 24.53 H new ATOM 0 HD22 LEU A 72 8.071 0.159 -1.066 1.00 24.53 H new ATOM 0 HD23 LEU A 72 6.547 -0.386 -0.326 1.00 24.53 H new ATOM 1182 N ASP A 73 6.514 -4.665 -3.142 1.00 31.14 N ATOM 1183 CA ASP A 73 6.451 -5.320 -4.469 1.00 22.24 C ATOM 1184 C ASP A 73 5.020 -5.233 -5.058 1.00 3.43 C ATOM 1185 O ASP A 73 4.836 -4.853 -6.220 1.00 72.30 O ATOM 1186 CB ASP A 73 6.920 -6.794 -4.373 1.00 0.53 C ATOM 1187 CG ASP A 73 6.944 -7.493 -5.742 1.00 1.21 C ATOM 1188 OD1 ASP A 73 7.931 -7.320 -6.486 1.00 15.43 O ATOM 1189 OD2 ASP A 73 5.987 -8.223 -6.080 1.00 43.02 O ATOM 0 H ASP A 73 6.632 -5.311 -2.362 1.00 31.14 H new ATOM 0 HA ASP A 73 7.125 -4.792 -5.143 1.00 22.24 H new ATOM 0 HB2 ASP A 73 7.917 -6.827 -3.934 1.00 0.53 H new ATOM 0 HB3 ASP A 73 6.258 -7.340 -3.701 1.00 0.53 H new ATOM 1194 N ASN A 74 4.024 -5.554 -4.209 1.00 43.01 N ATOM 1195 CA ASN A 74 2.590 -5.545 -4.560 1.00 51.42 C ATOM 1196 C ASN A 74 2.116 -4.130 -4.922 1.00 33.41 C ATOM 1197 O ASN A 74 1.361 -3.954 -5.876 1.00 50.14 O ATOM 1198 CB ASN A 74 1.728 -6.067 -3.375 1.00 73.44 C ATOM 1199 CG ASN A 74 1.950 -7.539 -3.016 1.00 73.44 C ATOM 1200 OD1 ASN A 74 2.200 -8.378 -3.875 1.00 33.31 O ATOM 1201 ND2 ASN A 74 1.841 -7.865 -1.729 1.00 3.32 N ATOM 0 H ASN A 74 4.197 -5.832 -3.243 1.00 43.01 H new ATOM 0 HA ASN A 74 2.467 -6.200 -5.423 1.00 51.42 H new ATOM 0 HB2 ASN A 74 1.938 -5.458 -2.496 1.00 73.44 H new ATOM 0 HB3 ASN A 74 0.676 -5.922 -3.619 1.00 73.44 H new ATOM 0 HD21 ASN A 74 1.966 -8.834 -1.436 1.00 3.32 H new ATOM 0 HD22 ASN A 74 1.632 -7.146 -1.037 1.00 3.32 H new ATOM 1208 N GLU A 75 2.562 -3.138 -4.125 1.00 3.50 N ATOM 1209 CA GLU A 75 2.186 -1.730 -4.310 1.00 55.44 C ATOM 1210 C GLU A 75 2.930 -1.122 -5.501 1.00 53.10 C ATOM 1211 O GLU A 75 2.391 -0.262 -6.173 1.00 65.44 O ATOM 1212 CB GLU A 75 2.457 -0.896 -3.043 1.00 11.14 C ATOM 1213 CG GLU A 75 2.015 0.571 -3.144 1.00 14.43 C ATOM 1214 CD GLU A 75 2.477 1.418 -1.967 1.00 41.44 C ATOM 1215 OE1 GLU A 75 1.700 1.579 -0.996 1.00 41.41 O ATOM 1216 OE2 GLU A 75 3.622 1.923 -2.016 1.00 3.23 O ATOM 0 H GLU A 75 3.191 -3.294 -3.338 1.00 3.50 H new ATOM 0 HA GLU A 75 1.114 -1.707 -4.508 1.00 55.44 H new ATOM 0 HB2 GLU A 75 1.944 -1.360 -2.200 1.00 11.14 H new ATOM 0 HB3 GLU A 75 3.524 -0.927 -2.823 1.00 11.14 H new ATOM 0 HG2 GLU A 75 2.406 0.999 -4.067 1.00 14.43 H new ATOM 0 HG3 GLU A 75 0.928 0.613 -3.209 1.00 14.43 H new ATOM 1223 N GLN A 76 4.170 -1.572 -5.754 1.00 50.54 N ATOM 1224 CA GLN A 76 4.947 -1.137 -6.932 1.00 63.51 C ATOM 1225 C GLN A 76 4.205 -1.569 -8.208 1.00 13.11 C ATOM 1226 O GLN A 76 4.066 -0.795 -9.162 1.00 73.41 O ATOM 1227 CB GLN A 76 6.379 -1.726 -6.900 1.00 32.51 C ATOM 1228 CG GLN A 76 7.298 -1.248 -8.039 1.00 10.14 C ATOM 1229 CD GLN A 76 8.728 -1.792 -7.964 1.00 0.14 C ATOM 1230 OE1 GLN A 76 8.968 -2.896 -7.472 1.00 55.12 O ATOM 1231 NE2 GLN A 76 9.689 -1.025 -8.448 1.00 41.12 N ATOM 0 H GLN A 76 4.659 -2.239 -5.158 1.00 50.54 H new ATOM 0 HA GLN A 76 5.042 -0.051 -6.919 1.00 63.51 H new ATOM 0 HB2 GLN A 76 6.841 -1.469 -5.947 1.00 32.51 H new ATOM 0 HB3 GLN A 76 6.311 -2.813 -6.939 1.00 32.51 H new ATOM 0 HG2 GLN A 76 6.859 -1.542 -8.992 1.00 10.14 H new ATOM 0 HG3 GLN A 76 7.335 -0.159 -8.028 1.00 10.14 H new ATOM 0 HE21 GLN A 76 9.462 -0.115 -8.850 1.00 41.12 H new ATOM 0 HE22 GLN A 76 10.658 -1.343 -8.420 1.00 41.12 H new ATOM 1240 N LEU A 77 3.691 -2.812 -8.174 1.00 34.10 N ATOM 1241 CA LEU A 77 2.852 -3.374 -9.241 1.00 43.31 C ATOM 1242 C LEU A 77 1.464 -2.688 -9.288 1.00 21.34 C ATOM 1243 O LEU A 77 0.909 -2.513 -10.373 1.00 45.45 O ATOM 1244 CB LEU A 77 2.706 -4.904 -9.046 1.00 60.11 C ATOM 1245 CG LEU A 77 3.981 -5.767 -9.302 1.00 74.40 C ATOM 1246 CD1 LEU A 77 3.729 -7.249 -8.950 1.00 22.15 C ATOM 1247 CD2 LEU A 77 4.460 -5.619 -10.757 1.00 24.25 C ATOM 0 H LEU A 77 3.849 -3.456 -7.399 1.00 34.10 H new ATOM 0 HA LEU A 77 3.340 -3.185 -10.197 1.00 43.31 H new ATOM 0 HB2 LEU A 77 2.371 -5.087 -8.025 1.00 60.11 H new ATOM 0 HB3 LEU A 77 1.917 -5.258 -9.709 1.00 60.11 H new ATOM 0 HG LEU A 77 4.772 -5.400 -8.648 1.00 74.40 H new ATOM 0 HD11 LEU A 77 4.634 -7.827 -9.138 1.00 22.15 H new ATOM 0 HD12 LEU A 77 3.458 -7.332 -7.898 1.00 22.15 H new ATOM 0 HD13 LEU A 77 2.917 -7.636 -9.566 1.00 22.15 H new ATOM 0 HD21 LEU A 77 5.350 -6.230 -10.911 1.00 24.25 H new ATOM 0 HD22 LEU A 77 3.672 -5.948 -11.435 1.00 24.25 H new ATOM 0 HD23 LEU A 77 4.698 -4.574 -10.957 1.00 24.25 H new ATOM 1259 N LEU A 78 0.928 -2.304 -8.101 1.00 11.32 N ATOM 1260 CA LEU A 78 -0.369 -1.591 -7.975 1.00 0.04 C ATOM 1261 C LEU A 78 -0.289 -0.239 -8.682 1.00 22.52 C ATOM 1262 O LEU A 78 -0.946 -0.040 -9.691 1.00 54.43 O ATOM 1263 CB LEU A 78 -0.777 -1.392 -6.461 1.00 62.51 C ATOM 1264 CG LEU A 78 -1.810 -2.404 -5.883 1.00 70.42 C ATOM 1265 CD1 LEU A 78 -1.935 -2.275 -4.346 1.00 31.24 C ATOM 1266 CD2 LEU A 78 -3.179 -2.206 -6.569 1.00 35.23 C ATOM 0 H LEU A 78 1.383 -2.480 -7.205 1.00 11.32 H new ATOM 0 HA LEU A 78 -1.138 -2.202 -8.448 1.00 0.04 H new ATOM 0 HB2 LEU A 78 0.127 -1.443 -5.854 1.00 62.51 H new ATOM 0 HB3 LEU A 78 -1.182 -0.387 -6.346 1.00 62.51 H new ATOM 0 HG LEU A 78 -1.454 -3.413 -6.091 1.00 70.42 H new ATOM 0 HD11 LEU A 78 -2.665 -2.997 -3.978 1.00 31.24 H new ATOM 0 HD12 LEU A 78 -0.967 -2.470 -3.885 1.00 31.24 H new ATOM 0 HD13 LEU A 78 -2.262 -1.267 -4.091 1.00 31.24 H new ATOM 0 HD21 LEU A 78 -3.897 -2.917 -6.160 1.00 35.23 H new ATOM 0 HD22 LEU A 78 -3.532 -1.190 -6.390 1.00 35.23 H new ATOM 0 HD23 LEU A 78 -3.076 -2.371 -7.642 1.00 35.23 H new ATOM 1278 N LYS A 79 0.577 0.646 -8.162 1.00 14.22 N ATOM 1279 CA LYS A 79 0.729 2.018 -8.659 1.00 54.00 C ATOM 1280 C LYS A 79 1.293 2.046 -10.080 1.00 23.24 C ATOM 1281 O LYS A 79 0.991 2.968 -10.819 1.00 73.24 O ATOM 1282 CB LYS A 79 1.612 2.871 -7.707 1.00 61.05 C ATOM 1283 CG LYS A 79 3.092 2.464 -7.650 1.00 43.40 C ATOM 1284 CD LYS A 79 3.928 3.384 -6.738 1.00 72.51 C ATOM 1285 CE LYS A 79 5.411 2.998 -6.734 1.00 24.41 C ATOM 1286 NZ LYS A 79 6.224 4.010 -6.032 1.00 64.22 N ATOM 0 H LYS A 79 1.194 0.426 -7.380 1.00 14.22 H new ATOM 0 HA LYS A 79 -0.268 2.458 -8.686 1.00 54.00 H new ATOM 0 HB2 LYS A 79 1.550 3.914 -8.017 1.00 61.05 H new ATOM 0 HB3 LYS A 79 1.196 2.812 -6.701 1.00 61.05 H new ATOM 0 HG2 LYS A 79 3.169 1.437 -7.292 1.00 43.40 H new ATOM 0 HG3 LYS A 79 3.508 2.482 -8.657 1.00 43.40 H new ATOM 0 HD2 LYS A 79 3.823 4.416 -7.071 1.00 72.51 H new ATOM 0 HD3 LYS A 79 3.539 3.337 -5.721 1.00 72.51 H new ATOM 0 HE2 LYS A 79 5.536 2.029 -6.251 1.00 24.41 H new ATOM 0 HE3 LYS A 79 5.764 2.891 -7.760 1.00 24.41 H new ATOM 0 HZ1 LYS A 79 7.232 3.776 -6.132 1.00 64.22 H new ATOM 0 HZ2 LYS A 79 6.044 4.947 -6.445 1.00 64.22 H new ATOM 0 HZ3 LYS A 79 5.970 4.021 -5.024 1.00 64.22 H new ATOM 1300 N GLY A 80 2.117 1.033 -10.444 1.00 3.01 N ATOM 1301 CA GLY A 80 2.621 0.891 -11.810 1.00 31.31 C ATOM 1302 C GLY A 80 1.487 0.674 -12.804 1.00 25.13 C ATOM 1303 O GLY A 80 1.264 1.509 -13.703 1.00 52.42 O ATOM 0 H GLY A 80 2.440 0.309 -9.803 1.00 3.01 H new ATOM 0 HA2 GLY A 80 3.183 1.783 -12.086 1.00 31.31 H new ATOM 0 HA3 GLY A 80 3.314 0.051 -11.858 1.00 31.31 H new ATOM 1307 N LEU A 81 0.735 -0.423 -12.577 1.00 42.11 N ATOM 1308 CA LEU A 81 -0.442 -0.793 -13.376 1.00 41.25 C ATOM 1309 C LEU A 81 -1.441 0.373 -13.442 1.00 51.21 C ATOM 1310 O LEU A 81 -1.832 0.778 -14.524 1.00 42.24 O ATOM 1311 CB LEU A 81 -1.089 -2.082 -12.776 1.00 23.21 C ATOM 1312 CG LEU A 81 -2.467 -2.572 -13.383 1.00 41.13 C ATOM 1313 CD1 LEU A 81 -2.602 -4.101 -13.328 1.00 72.21 C ATOM 1314 CD2 LEU A 81 -3.681 -1.930 -12.666 1.00 72.20 C ATOM 0 H LEU A 81 0.934 -1.082 -11.824 1.00 42.11 H new ATOM 0 HA LEU A 81 -0.137 -1.007 -14.400 1.00 41.25 H new ATOM 0 HB2 LEU A 81 -0.371 -2.895 -12.879 1.00 23.21 H new ATOM 0 HB3 LEU A 81 -1.234 -1.917 -11.708 1.00 23.21 H new ATOM 0 HG LEU A 81 -2.465 -2.251 -14.425 1.00 41.13 H new ATOM 0 HD11 LEU A 81 -3.561 -4.397 -13.754 1.00 72.21 H new ATOM 0 HD12 LEU A 81 -1.794 -4.558 -13.900 1.00 72.21 H new ATOM 0 HD13 LEU A 81 -2.547 -4.434 -12.292 1.00 72.21 H new ATOM 0 HD21 LEU A 81 -4.604 -2.295 -13.116 1.00 72.20 H new ATOM 0 HD22 LEU A 81 -3.662 -2.196 -11.609 1.00 72.20 H new ATOM 0 HD23 LEU A 81 -3.632 -0.846 -12.768 1.00 72.20 H new ATOM 1326 N LEU A 82 -1.792 0.917 -12.266 1.00 73.12 N ATOM 1327 CA LEU A 82 -2.806 1.979 -12.101 1.00 60.14 C ATOM 1328 C LEU A 82 -2.386 3.302 -12.759 1.00 23.44 C ATOM 1329 O LEU A 82 -3.246 4.040 -13.231 1.00 73.20 O ATOM 1330 CB LEU A 82 -3.103 2.187 -10.593 1.00 51.12 C ATOM 1331 CG LEU A 82 -3.994 1.089 -9.918 1.00 12.44 C ATOM 1332 CD1 LEU A 82 -3.829 1.097 -8.390 1.00 3.24 C ATOM 1333 CD2 LEU A 82 -5.473 1.276 -10.302 1.00 72.13 C ATOM 0 H LEU A 82 -1.372 0.627 -11.383 1.00 73.12 H new ATOM 0 HA LEU A 82 -3.712 1.653 -12.611 1.00 60.14 H new ATOM 0 HB2 LEU A 82 -2.154 2.238 -10.058 1.00 51.12 H new ATOM 0 HB3 LEU A 82 -3.592 3.153 -10.468 1.00 51.12 H new ATOM 0 HG LEU A 82 -3.660 0.119 -10.286 1.00 12.44 H new ATOM 0 HD11 LEU A 82 -4.460 0.324 -7.952 1.00 3.24 H new ATOM 0 HD12 LEU A 82 -2.787 0.902 -8.136 1.00 3.24 H new ATOM 0 HD13 LEU A 82 -4.122 2.071 -7.997 1.00 3.24 H new ATOM 0 HD21 LEU A 82 -6.074 0.503 -9.823 1.00 72.13 H new ATOM 0 HD22 LEU A 82 -5.813 2.257 -9.972 1.00 72.13 H new ATOM 0 HD23 LEU A 82 -5.580 1.200 -11.384 1.00 72.13 H new ATOM 1345 N GLN A 83 -1.069 3.589 -12.786 1.00 2.10 N ATOM 1346 CA GLN A 83 -0.530 4.791 -13.452 1.00 64.11 C ATOM 1347 C GLN A 83 -0.785 4.639 -14.963 1.00 14.43 C ATOM 1348 O GLN A 83 -1.375 5.524 -15.587 1.00 41.20 O ATOM 1349 CB GLN A 83 0.990 4.974 -13.112 1.00 2.35 C ATOM 1350 CG GLN A 83 1.553 6.416 -13.220 1.00 75.20 C ATOM 1351 CD GLN A 83 1.761 6.919 -14.649 1.00 22.24 C ATOM 1352 OE1 GLN A 83 2.834 6.746 -15.225 1.00 61.32 O ATOM 1353 NE2 GLN A 83 0.752 7.546 -15.226 1.00 42.43 N ATOM 0 H GLN A 83 -0.357 3.002 -12.352 1.00 2.10 H new ATOM 0 HA GLN A 83 -1.027 5.694 -13.097 1.00 64.11 H new ATOM 0 HB2 GLN A 83 1.158 4.617 -12.096 1.00 2.35 H new ATOM 0 HB3 GLN A 83 1.568 4.331 -13.776 1.00 2.35 H new ATOM 0 HG2 GLN A 83 0.873 7.096 -12.706 1.00 75.20 H new ATOM 0 HG3 GLN A 83 2.506 6.459 -12.693 1.00 75.20 H new ATOM 0 HE21 GLN A 83 -0.125 7.673 -14.721 1.00 42.43 H new ATOM 0 HE22 GLN A 83 0.850 7.903 -16.176 1.00 42.43 H new ATOM 1362 N GLN A 84 -0.422 3.443 -15.490 1.00 33.04 N ATOM 1363 CA GLN A 84 -0.629 3.074 -16.915 1.00 73.51 C ATOM 1364 C GLN A 84 -2.133 3.078 -17.290 1.00 22.13 C ATOM 1365 O GLN A 84 -2.521 3.509 -18.388 1.00 70.13 O ATOM 1366 CB GLN A 84 -0.033 1.671 -17.189 1.00 54.21 C ATOM 1367 CG GLN A 84 1.462 1.519 -16.844 1.00 31.11 C ATOM 1368 CD GLN A 84 1.960 0.069 -16.926 1.00 3.41 C ATOM 1369 OE1 GLN A 84 1.490 -0.720 -17.750 1.00 4.44 O ATOM 1370 NE2 GLN A 84 2.886 -0.304 -16.059 1.00 21.23 N ATOM 0 H GLN A 84 0.022 2.707 -14.941 1.00 33.04 H new ATOM 0 HA GLN A 84 -0.122 3.819 -17.529 1.00 73.51 H new ATOM 0 HB2 GLN A 84 -0.599 0.935 -16.618 1.00 54.21 H new ATOM 0 HB3 GLN A 84 -0.173 1.433 -18.243 1.00 54.21 H new ATOM 0 HG2 GLN A 84 2.049 2.136 -17.524 1.00 31.11 H new ATOM 0 HG3 GLN A 84 1.636 1.899 -15.837 1.00 31.11 H new ATOM 0 HE21 GLN A 84 3.257 0.369 -15.388 1.00 21.23 H new ATOM 0 HE22 GLN A 84 3.229 -1.265 -16.061 1.00 21.23 H new ATOM 1379 N ARG A 85 -2.962 2.595 -16.344 1.00 74.53 N ATOM 1380 CA ARG A 85 -4.417 2.467 -16.522 1.00 73.12 C ATOM 1381 C ARG A 85 -5.077 3.833 -16.563 1.00 2.40 C ATOM 1382 O ARG A 85 -5.981 4.040 -17.342 1.00 11.41 O ATOM 1383 CB ARG A 85 -5.047 1.615 -15.389 1.00 50.24 C ATOM 1384 CG ARG A 85 -4.740 0.110 -15.484 1.00 35.23 C ATOM 1385 CD ARG A 85 -5.331 -0.554 -16.734 1.00 3.12 C ATOM 1386 NE ARG A 85 -5.104 -2.009 -16.743 1.00 21.55 N ATOM 1387 CZ ARG A 85 -6.051 -2.939 -16.910 1.00 64.40 C ATOM 1388 NH1 ARG A 85 -7.328 -2.601 -17.097 1.00 72.10 N ATOM 1389 NH2 ARG A 85 -5.711 -4.214 -16.897 1.00 51.03 N ATOM 0 H ARG A 85 -2.636 2.281 -15.430 1.00 74.53 H new ATOM 0 HA ARG A 85 -4.588 1.962 -17.473 1.00 73.12 H new ATOM 0 HB2 ARG A 85 -4.690 1.987 -14.429 1.00 50.24 H new ATOM 0 HB3 ARG A 85 -6.128 1.755 -15.403 1.00 50.24 H new ATOM 0 HG2 ARG A 85 -3.660 -0.034 -15.482 1.00 35.23 H new ATOM 0 HG3 ARG A 85 -5.130 -0.390 -14.597 1.00 35.23 H new ATOM 0 HD2 ARG A 85 -6.401 -0.353 -16.780 1.00 3.12 H new ATOM 0 HD3 ARG A 85 -4.885 -0.112 -17.625 1.00 3.12 H new ATOM 0 HE ARG A 85 -4.146 -2.334 -16.611 1.00 21.55 H new ATOM 0 HH11 ARG A 85 -7.598 -1.618 -17.115 1.00 72.10 H new ATOM 0 HH12 ARG A 85 -8.034 -3.326 -17.222 1.00 72.10 H new ATOM 0 HH21 ARG A 85 -4.736 -4.480 -16.761 1.00 51.03 H new ATOM 0 HH22 ARG A 85 -6.423 -4.933 -17.023 1.00 51.03 H new ATOM 1403 N LEU A 86 -4.615 4.754 -15.709 1.00 22.10 N ATOM 1404 CA LEU A 86 -5.152 6.118 -15.663 1.00 21.24 C ATOM 1405 C LEU A 86 -4.657 6.942 -16.863 1.00 33.21 C ATOM 1406 O LEU A 86 -5.335 7.879 -17.261 1.00 4.00 O ATOM 1407 CB LEU A 86 -4.795 6.805 -14.328 1.00 12.54 C ATOM 1408 CG LEU A 86 -5.498 6.253 -13.052 1.00 3.22 C ATOM 1409 CD1 LEU A 86 -4.950 6.944 -11.787 1.00 30.50 C ATOM 1410 CD2 LEU A 86 -7.035 6.394 -13.147 1.00 42.53 C ATOM 0 H LEU A 86 -3.867 4.578 -15.038 1.00 22.10 H new ATOM 0 HA LEU A 86 -6.239 6.058 -15.726 1.00 21.24 H new ATOM 0 HB2 LEU A 86 -3.717 6.730 -14.183 1.00 12.54 H new ATOM 0 HB3 LEU A 86 -5.032 7.865 -14.416 1.00 12.54 H new ATOM 0 HG LEU A 86 -5.275 5.188 -12.980 1.00 3.22 H new ATOM 0 HD11 LEU A 86 -5.454 6.544 -10.907 1.00 30.50 H new ATOM 0 HD12 LEU A 86 -3.879 6.760 -11.707 1.00 30.50 H new ATOM 0 HD13 LEU A 86 -5.130 8.017 -11.852 1.00 30.50 H new ATOM 0 HD21 LEU A 86 -7.493 5.999 -12.240 1.00 42.53 H new ATOM 0 HD22 LEU A 86 -7.298 7.446 -13.258 1.00 42.53 H new ATOM 0 HD23 LEU A 86 -7.399 5.836 -14.010 1.00 42.53 H new ATOM 1422 N ASP A 87 -3.474 6.581 -17.434 1.00 54.53 N ATOM 1423 CA ASP A 87 -3.018 7.130 -18.738 1.00 70.13 C ATOM 1424 C ASP A 87 -4.056 6.774 -19.805 1.00 61.22 C ATOM 1425 O ASP A 87 -4.551 7.651 -20.522 1.00 24.41 O ATOM 1426 CB ASP A 87 -1.633 6.575 -19.201 1.00 11.13 C ATOM 1427 CG ASP A 87 -0.436 7.059 -18.372 1.00 74.22 C ATOM 1428 OD1 ASP A 87 -0.192 8.279 -18.331 1.00 70.23 O ATOM 1429 OD2 ASP A 87 0.297 6.222 -17.811 1.00 73.14 O ATOM 0 H ASP A 87 -2.825 5.917 -17.013 1.00 54.53 H new ATOM 0 HA ASP A 87 -2.907 8.206 -18.607 1.00 70.13 H new ATOM 0 HB2 ASP A 87 -1.664 5.486 -19.167 1.00 11.13 H new ATOM 0 HB3 ASP A 87 -1.474 6.857 -20.242 1.00 11.13 H new ATOM 1434 N GLU A 88 -4.386 5.463 -19.850 1.00 24.31 N ATOM 1435 CA GLU A 88 -5.332 4.892 -20.812 1.00 15.15 C ATOM 1436 C GLU A 88 -6.720 5.555 -20.669 1.00 52.41 C ATOM 1437 O GLU A 88 -7.193 6.196 -21.604 1.00 3.52 O ATOM 1438 CB GLU A 88 -5.431 3.354 -20.605 1.00 33.04 C ATOM 1439 CG GLU A 88 -6.232 2.607 -21.695 1.00 65.31 C ATOM 1440 CD GLU A 88 -5.615 2.755 -23.099 1.00 1.13 C ATOM 1441 OE1 GLU A 88 -4.592 2.098 -23.385 1.00 4.43 O ATOM 1442 OE2 GLU A 88 -6.139 3.535 -23.916 1.00 2.51 O ATOM 0 H GLU A 88 -3.994 4.772 -19.210 1.00 24.31 H new ATOM 0 HA GLU A 88 -4.970 5.087 -21.822 1.00 15.15 H new ATOM 0 HB2 GLU A 88 -4.423 2.941 -20.566 1.00 33.04 H new ATOM 0 HB3 GLU A 88 -5.893 3.160 -19.637 1.00 33.04 H new ATOM 0 HG2 GLU A 88 -6.287 1.549 -21.438 1.00 65.31 H new ATOM 0 HG3 GLU A 88 -7.254 2.985 -21.711 1.00 65.31 H new ATOM 1449 N LEU A 89 -7.307 5.423 -19.461 1.00 25.53 N ATOM 1450 CA LEU A 89 -8.637 5.951 -19.095 1.00 35.44 C ATOM 1451 C LEU A 89 -8.764 7.458 -19.386 1.00 5.44 C ATOM 1452 O LEU A 89 -9.790 7.889 -19.899 1.00 54.21 O ATOM 1453 CB LEU A 89 -8.951 5.661 -17.593 1.00 14.11 C ATOM 1454 CG LEU A 89 -9.108 4.153 -17.197 1.00 51.54 C ATOM 1455 CD1 LEU A 89 -9.290 3.986 -15.668 1.00 14.35 C ATOM 1456 CD2 LEU A 89 -10.264 3.491 -17.977 1.00 31.44 C ATOM 0 H LEU A 89 -6.854 4.931 -18.691 1.00 25.53 H new ATOM 0 HA LEU A 89 -9.368 5.435 -19.717 1.00 35.44 H new ATOM 0 HB2 LEU A 89 -8.155 6.093 -16.987 1.00 14.11 H new ATOM 0 HB3 LEU A 89 -9.871 6.182 -17.329 1.00 14.11 H new ATOM 0 HG LEU A 89 -8.186 3.641 -17.473 1.00 51.54 H new ATOM 0 HD11 LEU A 89 -9.396 2.928 -15.428 1.00 14.35 H new ATOM 0 HD12 LEU A 89 -8.419 4.390 -15.152 1.00 14.35 H new ATOM 0 HD13 LEU A 89 -10.183 4.522 -15.347 1.00 14.35 H new ATOM 0 HD21 LEU A 89 -10.350 2.445 -17.682 1.00 31.44 H new ATOM 0 HD22 LEU A 89 -11.197 4.009 -17.754 1.00 31.44 H new ATOM 0 HD23 LEU A 89 -10.063 3.551 -19.047 1.00 31.44 H new ATOM 1468 N SER A 90 -7.709 8.248 -19.075 1.00 43.31 N ATOM 1469 CA SER A 90 -7.682 9.689 -19.419 1.00 74.41 C ATOM 1470 C SER A 90 -7.753 9.874 -20.947 1.00 75.31 C ATOM 1471 O SER A 90 -8.585 10.615 -21.440 1.00 1.24 O ATOM 1472 CB SER A 90 -6.430 10.398 -18.843 1.00 15.40 C ATOM 1473 OG SER A 90 -6.459 10.413 -17.422 1.00 70.25 O ATOM 0 H SER A 90 -6.874 7.916 -18.592 1.00 43.31 H new ATOM 0 HA SER A 90 -8.556 10.153 -18.963 1.00 74.41 H new ATOM 0 HB2 SER A 90 -5.530 9.888 -19.186 1.00 15.40 H new ATOM 0 HB3 SER A 90 -6.381 11.420 -19.220 1.00 15.40 H new ATOM 0 HG SER A 90 -6.092 9.572 -17.078 1.00 70.25 H new ATOM 1819 N MET A1001 -13.651 9.011 -8.769 1.00 11.24 N ATOM 1820 CA MET A1001 -12.745 7.850 -8.908 1.00 52.43 C ATOM 1821 C MET A1001 -11.330 8.299 -9.317 1.00 52.34 C ATOM 1822 O MET A1001 -10.340 7.780 -8.795 1.00 63.02 O ATOM 1823 CB MET A1001 -13.306 6.860 -9.965 1.00 32.23 C ATOM 1824 CG MET A1001 -12.409 5.645 -10.274 1.00 32.11 C ATOM 1825 SD MET A1001 -13.020 4.667 -11.659 1.00 64.25 S ATOM 1826 CE MET A1001 -12.981 5.845 -13.017 1.00 11.15 C ATOM 0 HA MET A1001 -12.683 7.352 -7.941 1.00 52.43 H new ATOM 0 HB2 MET A1001 -14.274 6.497 -9.620 1.00 32.23 H new ATOM 0 HB3 MET A1001 -13.482 7.406 -10.892 1.00 32.23 H new ATOM 0 HG2 MET A1001 -11.399 5.991 -10.495 1.00 32.11 H new ATOM 0 HG3 MET A1001 -12.343 5.013 -9.389 1.00 32.11 H new ATOM 0 HE1 MET A1001 -12.966 5.307 -13.965 1.00 11.15 H new ATOM 0 HE2 MET A1001 -13.866 6.480 -12.974 1.00 11.15 H new ATOM 0 HE3 MET A1001 -12.087 6.463 -12.937 1.00 11.15 H new ATOM 1836 N THR A1002 -11.245 9.262 -10.258 1.00 63.24 N ATOM 1837 CA THR A1002 -9.951 9.774 -10.750 1.00 2.24 C ATOM 1838 C THR A1002 -9.239 10.599 -9.664 1.00 71.32 C ATOM 1839 O THR A1002 -8.033 10.444 -9.477 1.00 70.13 O ATOM 1840 CB THR A1002 -10.112 10.601 -12.069 1.00 71.51 C ATOM 1841 OG1 THR A1002 -11.124 11.602 -11.905 1.00 42.22 O ATOM 1842 CG2 THR A1002 -10.464 9.697 -13.265 1.00 55.44 C ATOM 0 H THR A1002 -12.058 9.700 -10.692 1.00 63.24 H new ATOM 0 HA THR A1002 -9.329 8.910 -10.986 1.00 2.24 H new ATOM 0 HB THR A1002 -9.155 11.080 -12.277 1.00 71.51 H new ATOM 0 HG1 THR A1002 -11.215 12.114 -12.735 1.00 42.22 H new ATOM 0 HG21 THR A1002 -10.568 10.306 -14.163 1.00 55.44 H new ATOM 0 HG22 THR A1002 -9.671 8.964 -13.413 1.00 55.44 H new ATOM 0 HG23 THR A1002 -11.403 9.180 -13.066 1.00 55.44 H new ATOM 1850 N THR A1003 -10.002 11.442 -8.936 1.00 31.14 N ATOM 1851 CA THR A1003 -9.496 12.193 -7.761 1.00 53.45 C ATOM 1852 C THR A1003 -8.916 11.229 -6.701 1.00 41.14 C ATOM 1853 O THR A1003 -7.785 11.429 -6.222 1.00 61.10 O ATOM 1854 CB THR A1003 -10.626 13.075 -7.136 1.00 42.24 C ATOM 1855 OG1 THR A1003 -11.019 14.078 -8.085 1.00 2.13 O ATOM 1856 CG2 THR A1003 -10.208 13.759 -5.817 1.00 33.31 C ATOM 0 H THR A1003 -10.984 11.623 -9.143 1.00 31.14 H new ATOM 0 HA THR A1003 -8.696 12.850 -8.102 1.00 53.45 H new ATOM 0 HB THR A1003 -11.456 12.409 -6.898 1.00 42.24 H new ATOM 0 HG1 THR A1003 -11.729 14.633 -7.699 1.00 2.13 H new ATOM 0 HG21 THR A1003 -11.038 14.355 -5.437 1.00 33.31 H new ATOM 0 HG22 THR A1003 -9.941 13.000 -5.082 1.00 33.31 H new ATOM 0 HG23 THR A1003 -9.350 14.406 -5.999 1.00 33.31 H new ATOM 1864 N ARG A1004 -9.700 10.167 -6.398 1.00 63.33 N ATOM 1865 CA ARG A1004 -9.294 9.087 -5.483 1.00 11.51 C ATOM 1866 C ARG A1004 -7.940 8.508 -5.899 1.00 70.32 C ATOM 1867 O ARG A1004 -6.976 8.624 -5.157 1.00 63.15 O ATOM 1868 CB ARG A1004 -10.354 7.948 -5.453 1.00 32.23 C ATOM 1869 CG ARG A1004 -11.554 8.186 -4.522 1.00 63.53 C ATOM 1870 CD ARG A1004 -12.549 7.015 -4.571 1.00 41.41 C ATOM 1871 NE ARG A1004 -13.520 7.039 -3.471 1.00 20.43 N ATOM 1872 CZ ARG A1004 -13.428 6.315 -2.351 1.00 11.10 C ATOM 1873 NH1 ARG A1004 -12.400 5.502 -2.143 1.00 64.15 N ATOM 1874 NH2 ARG A1004 -14.371 6.417 -1.432 1.00 71.44 N ATOM 0 H ARG A1004 -10.635 10.040 -6.786 1.00 63.33 H new ATOM 0 HA ARG A1004 -9.212 9.517 -4.485 1.00 11.51 H new ATOM 0 HB2 ARG A1004 -10.727 7.795 -6.466 1.00 32.23 H new ATOM 0 HB3 ARG A1004 -9.861 7.024 -5.152 1.00 32.23 H new ATOM 0 HG2 ARG A1004 -11.201 8.322 -3.500 1.00 63.53 H new ATOM 0 HG3 ARG A1004 -12.061 9.107 -4.809 1.00 63.53 H new ATOM 0 HD2 ARG A1004 -13.084 7.040 -5.520 1.00 41.41 H new ATOM 0 HD3 ARG A1004 -11.997 6.075 -4.540 1.00 41.41 H new ATOM 0 HE ARG A1004 -14.327 7.655 -3.568 1.00 20.43 H new ATOM 0 HH11 ARG A1004 -11.663 5.422 -2.844 1.00 64.15 H new ATOM 0 HH12 ARG A1004 -12.347 4.957 -1.282 1.00 64.15 H new ATOM 0 HH21 ARG A1004 -15.161 7.044 -1.580 1.00 71.44 H new ATOM 0 HH22 ARG A1004 -14.309 5.868 -0.574 1.00 71.44 H new ATOM 1888 N LEU A1005 -7.890 7.963 -7.135 1.00 14.44 N ATOM 1889 CA LEU A1005 -6.745 7.197 -7.633 1.00 63.04 C ATOM 1890 C LEU A1005 -5.488 8.065 -7.842 1.00 61.12 C ATOM 1891 O LEU A1005 -4.384 7.553 -7.710 1.00 25.25 O ATOM 1892 CB LEU A1005 -7.112 6.404 -8.919 1.00 63.33 C ATOM 1893 CG LEU A1005 -8.115 5.211 -8.742 1.00 60.52 C ATOM 1894 CD1 LEU A1005 -8.343 4.478 -10.082 1.00 61.22 C ATOM 1895 CD2 LEU A1005 -7.648 4.229 -7.638 1.00 30.21 C ATOM 0 H LEU A1005 -8.649 8.047 -7.811 1.00 14.44 H new ATOM 0 HA LEU A1005 -6.492 6.477 -6.855 1.00 63.04 H new ATOM 0 HB2 LEU A1005 -7.536 7.102 -9.641 1.00 63.33 H new ATOM 0 HB3 LEU A1005 -6.192 6.015 -9.354 1.00 63.33 H new ATOM 0 HG LEU A1005 -9.069 5.629 -8.420 1.00 60.52 H new ATOM 0 HD11 LEU A1005 -9.042 3.655 -9.932 1.00 61.22 H new ATOM 0 HD12 LEU A1005 -8.754 5.175 -10.813 1.00 61.22 H new ATOM 0 HD13 LEU A1005 -7.394 4.086 -10.448 1.00 61.22 H new ATOM 0 HD21 LEU A1005 -8.369 3.416 -7.545 1.00 30.21 H new ATOM 0 HD22 LEU A1005 -6.673 3.821 -7.903 1.00 30.21 H new ATOM 0 HD23 LEU A1005 -7.574 4.758 -6.688 1.00 30.21 H new ATOM 1907 N THR A1006 -5.649 9.372 -8.141 1.00 2.53 N ATOM 1908 CA THR A1006 -4.492 10.292 -8.270 1.00 61.44 C ATOM 1909 C THR A1006 -3.889 10.574 -6.874 1.00 4.21 C ATOM 1910 O THR A1006 -2.667 10.478 -6.691 1.00 42.15 O ATOM 1911 CB THR A1006 -4.857 11.629 -9.007 1.00 43.22 C ATOM 1912 OG1 THR A1006 -5.971 12.264 -8.363 1.00 73.32 O ATOM 1913 CG2 THR A1006 -5.180 11.396 -10.501 1.00 51.24 C ATOM 0 H THR A1006 -6.556 9.812 -8.296 1.00 2.53 H new ATOM 0 HA THR A1006 -3.747 9.796 -8.892 1.00 61.44 H new ATOM 0 HB THR A1006 -3.984 12.279 -8.951 1.00 43.22 H new ATOM 0 HG1 THR A1006 -6.795 11.780 -8.582 1.00 73.32 H new ATOM 0 HG21 THR A1006 -5.427 12.347 -10.972 1.00 51.24 H new ATOM 0 HG22 THR A1006 -4.313 10.960 -10.997 1.00 51.24 H new ATOM 0 HG23 THR A1006 -6.028 10.717 -10.588 1.00 51.24 H new ATOM 1921 N ARG A1007 -4.772 10.864 -5.885 1.00 51.32 N ATOM 1922 CA ARG A1007 -4.365 11.042 -4.464 1.00 74.01 C ATOM 1923 C ARG A1007 -3.841 9.725 -3.854 1.00 64.25 C ATOM 1924 O ARG A1007 -3.013 9.736 -2.938 1.00 74.04 O ATOM 1925 CB ARG A1007 -5.550 11.575 -3.614 1.00 24.35 C ATOM 1926 CG ARG A1007 -6.016 13.002 -3.964 1.00 12.12 C ATOM 1927 CD ARG A1007 -4.881 14.035 -3.892 1.00 3.31 C ATOM 1928 NE ARG A1007 -4.145 13.985 -2.610 1.00 14.42 N ATOM 1929 CZ ARG A1007 -3.038 14.691 -2.321 1.00 33.32 C ATOM 1930 NH1 ARG A1007 -2.512 15.531 -3.212 1.00 53.35 N ATOM 1931 NH2 ARG A1007 -2.434 14.515 -1.154 1.00 64.21 N ATOM 0 H ARG A1007 -5.773 10.980 -6.044 1.00 51.32 H new ATOM 0 HA ARG A1007 -3.556 11.773 -4.450 1.00 74.01 H new ATOM 0 HB2 ARG A1007 -6.394 10.895 -3.729 1.00 24.35 H new ATOM 0 HB3 ARG A1007 -5.263 11.551 -2.563 1.00 24.35 H new ATOM 0 HG2 ARG A1007 -6.440 13.005 -4.968 1.00 12.12 H new ATOM 0 HG3 ARG A1007 -6.813 13.297 -3.281 1.00 12.12 H new ATOM 0 HD2 ARG A1007 -4.185 13.862 -4.713 1.00 3.31 H new ATOM 0 HD3 ARG A1007 -5.295 15.034 -4.030 1.00 3.31 H new ATOM 0 HE ARG A1007 -4.507 13.364 -1.886 1.00 14.42 H new ATOM 0 HH11 ARG A1007 -2.950 15.644 -4.126 1.00 53.35 H new ATOM 0 HH12 ARG A1007 -1.672 16.061 -2.980 1.00 53.35 H new ATOM 0 HH21 ARG A1007 -2.810 13.847 -0.481 1.00 64.21 H new ATOM 0 HH22 ARG A1007 -1.594 15.048 -0.929 1.00 64.21 H new ATOM 1945 N TRP A1008 -4.342 8.612 -4.393 1.00 1.42 N ATOM 1946 CA TRP A1008 -3.982 7.249 -3.995 1.00 41.11 C ATOM 1947 C TRP A1008 -2.560 6.925 -4.479 1.00 61.23 C ATOM 1948 O TRP A1008 -1.762 6.453 -3.690 1.00 14.34 O ATOM 1949 CB TRP A1008 -5.068 6.272 -4.550 1.00 41.05 C ATOM 1950 CG TRP A1008 -4.689 4.826 -4.759 1.00 43.12 C ATOM 1951 CD1 TRP A1008 -4.140 4.287 -5.881 1.00 74.12 C ATOM 1952 CD2 TRP A1008 -4.900 3.727 -3.862 1.00 52.24 C ATOM 1953 NE1 TRP A1008 -3.955 2.949 -5.721 1.00 4.53 N ATOM 1954 CE2 TRP A1008 -4.426 2.573 -4.507 1.00 32.50 C ATOM 1955 CE3 TRP A1008 -5.434 3.603 -2.583 1.00 51.23 C ATOM 1956 CZ2 TRP A1008 -4.465 1.316 -3.924 1.00 2.24 C ATOM 1957 CZ3 TRP A1008 -5.481 2.354 -2.001 1.00 24.51 C ATOM 1958 CH2 TRP A1008 -5.004 1.224 -2.674 1.00 53.22 C ATOM 0 H TRP A1008 -5.032 8.635 -5.143 1.00 1.42 H new ATOM 0 HA TRP A1008 -3.964 7.140 -2.911 1.00 41.11 H new ATOM 0 HB2 TRP A1008 -5.918 6.298 -3.868 1.00 41.05 H new ATOM 0 HB3 TRP A1008 -5.413 6.667 -5.505 1.00 41.05 H new ATOM 0 HD1 TRP A1008 -3.887 4.842 -6.772 1.00 74.12 H new ATOM 0 HE1 TRP A1008 -3.529 2.326 -6.407 1.00 4.53 H new ATOM 0 HE3 TRP A1008 -5.805 4.469 -2.056 1.00 51.23 H new ATOM 0 HZ2 TRP A1008 -4.085 0.446 -4.438 1.00 2.24 H new ATOM 0 HZ3 TRP A1008 -5.893 2.246 -1.009 1.00 24.51 H new ATOM 0 HH2 TRP A1008 -5.064 0.258 -2.194 1.00 53.22 H new ATOM 1969 N LEU A1009 -2.229 7.266 -5.756 1.00 11.54 N ATOM 1970 CA LEU A1009 -0.888 6.979 -6.346 1.00 55.10 C ATOM 1971 C LEU A1009 0.162 7.891 -5.699 1.00 51.23 C ATOM 1972 O LEU A1009 1.329 7.510 -5.533 1.00 44.52 O ATOM 1973 CB LEU A1009 -0.873 7.181 -7.895 1.00 15.33 C ATOM 1974 CG LEU A1009 -1.799 6.251 -8.743 1.00 5.22 C ATOM 1975 CD1 LEU A1009 -1.613 6.502 -10.255 1.00 41.21 C ATOM 1976 CD2 LEU A1009 -1.588 4.772 -8.392 1.00 21.14 C ATOM 0 H LEU A1009 -2.869 7.738 -6.395 1.00 11.54 H new ATOM 0 HA LEU A1009 -0.655 5.933 -6.147 1.00 55.10 H new ATOM 0 HB2 LEU A1009 -1.149 8.215 -8.104 1.00 15.33 H new ATOM 0 HB3 LEU A1009 0.151 7.048 -8.244 1.00 15.33 H new ATOM 0 HG LEU A1009 -2.830 6.501 -8.491 1.00 5.22 H new ATOM 0 HD11 LEU A1009 -2.271 5.840 -10.817 1.00 41.21 H new ATOM 0 HD12 LEU A1009 -1.859 7.539 -10.485 1.00 41.21 H new ATOM 0 HD13 LEU A1009 -0.577 6.305 -10.532 1.00 41.21 H new ATOM 0 HD21 LEU A1009 -2.249 4.156 -9.001 1.00 21.14 H new ATOM 0 HD22 LEU A1009 -0.552 4.496 -8.587 1.00 21.14 H new ATOM 0 HD23 LEU A1009 -1.813 4.613 -7.338 1.00 21.14 H new ATOM 1988 N THR A1010 -0.299 9.105 -5.348 1.00 51.24 N ATOM 1989 CA THR A1010 0.451 10.070 -4.548 1.00 3.20 C ATOM 1990 C THR A1010 0.798 9.463 -3.165 1.00 34.13 C ATOM 1991 O THR A1010 1.955 9.488 -2.755 1.00 71.35 O ATOM 1992 CB THR A1010 -0.386 11.383 -4.397 1.00 41.44 C ATOM 1993 OG1 THR A1010 -0.533 12.013 -5.684 1.00 61.00 O ATOM 1994 CG2 THR A1010 0.218 12.386 -3.408 1.00 44.13 C ATOM 0 H THR A1010 -1.222 9.442 -5.621 1.00 51.24 H new ATOM 0 HA THR A1010 1.388 10.312 -5.049 1.00 3.20 H new ATOM 0 HB THR A1010 -1.354 11.087 -3.993 1.00 41.44 H new ATOM 0 HG1 THR A1010 -1.259 11.580 -6.179 1.00 61.00 H new ATOM 0 HG21 THR A1010 -0.416 13.271 -3.355 1.00 44.13 H new ATOM 0 HG22 THR A1010 0.285 11.928 -2.421 1.00 44.13 H new ATOM 0 HG23 THR A1010 1.215 12.673 -3.744 1.00 44.13 H new ATOM 2002 N ALA A1011 -0.222 8.873 -2.500 1.00 60.33 N ATOM 2003 CA ALA A1011 -0.086 8.271 -1.154 1.00 61.35 C ATOM 2004 C ALA A1011 0.752 6.976 -1.187 1.00 72.20 C ATOM 2005 O ALA A1011 1.442 6.661 -0.205 1.00 3.22 O ATOM 2006 CB ALA A1011 -1.476 8.000 -0.556 1.00 72.33 C ATOM 0 H ALA A1011 -1.165 8.801 -2.883 1.00 60.33 H new ATOM 0 HA ALA A1011 0.444 8.983 -0.521 1.00 61.35 H new ATOM 0 HB1 ALA A1011 -1.366 7.557 0.434 1.00 72.33 H new ATOM 0 HB2 ALA A1011 -2.026 8.937 -0.475 1.00 72.33 H new ATOM 0 HB3 ALA A1011 -2.022 7.313 -1.202 1.00 72.33 H new ATOM 2012 N LEU A1012 0.685 6.243 -2.324 1.00 43.23 N ATOM 2013 CA LEU A1012 1.428 4.982 -2.510 1.00 2.24 C ATOM 2014 C LEU A1012 2.923 5.279 -2.657 1.00 2.14 C ATOM 2015 O LEU A1012 3.744 4.758 -1.912 1.00 44.21 O ATOM 2016 CB LEU A1012 0.934 4.176 -3.758 1.00 71.33 C ATOM 2017 CG LEU A1012 -0.544 3.653 -3.740 1.00 15.13 C ATOM 2018 CD1 LEU A1012 -0.769 2.585 -4.830 1.00 14.51 C ATOM 2019 CD2 LEU A1012 -0.963 3.145 -2.345 1.00 34.22 C ATOM 0 H LEU A1012 0.118 6.509 -3.129 1.00 43.23 H new ATOM 0 HA LEU A1012 1.247 4.368 -1.628 1.00 2.24 H new ATOM 0 HB2 LEU A1012 1.057 4.808 -4.637 1.00 71.33 H new ATOM 0 HB3 LEU A1012 1.593 3.318 -3.887 1.00 71.33 H new ATOM 0 HG LEU A1012 -1.191 4.500 -3.969 1.00 15.13 H new ATOM 0 HD11 LEU A1012 -1.802 2.240 -4.794 1.00 14.51 H new ATOM 0 HD12 LEU A1012 -0.564 3.016 -5.810 1.00 14.51 H new ATOM 0 HD13 LEU A1012 -0.099 1.742 -4.657 1.00 14.51 H new ATOM 0 HD21 LEU A1012 -1.994 2.793 -2.381 1.00 34.22 H new ATOM 0 HD22 LEU A1012 -0.310 2.326 -2.045 1.00 34.22 H new ATOM 0 HD23 LEU A1012 -0.882 3.957 -1.623 1.00 34.22 H new ATOM 2031 N ASP A1013 3.255 6.157 -3.622 1.00 71.43 N ATOM 2032 CA ASP A1013 4.648 6.550 -3.897 1.00 64.33 C ATOM 2033 C ASP A1013 5.261 7.279 -2.670 1.00 1.14 C ATOM 2034 O ASP A1013 6.452 7.137 -2.396 1.00 64.14 O ATOM 2035 CB ASP A1013 4.726 7.432 -5.172 1.00 74.52 C ATOM 2036 CG ASP A1013 6.168 7.560 -5.712 1.00 23.44 C ATOM 2037 OD1 ASP A1013 6.541 6.787 -6.619 1.00 35.32 O ATOM 2038 OD2 ASP A1013 6.934 8.421 -5.233 1.00 64.02 O ATOM 0 H ASP A1013 2.571 6.610 -4.228 1.00 71.43 H new ATOM 0 HA ASP A1013 5.233 5.649 -4.079 1.00 64.33 H new ATOM 0 HB2 ASP A1013 4.088 7.005 -5.946 1.00 74.52 H new ATOM 0 HB3 ASP A1013 4.335 8.425 -4.948 1.00 74.52 H new ATOM 2043 N ASN A1014 4.401 8.021 -1.931 1.00 70.42 N ATOM 2044 CA ASN A1014 4.748 8.669 -0.646 1.00 15.52 C ATOM 2045 C ASN A1014 5.169 7.615 0.395 1.00 35.43 C ATOM 2046 O ASN A1014 6.203 7.772 1.058 1.00 11.03 O ATOM 2047 CB ASN A1014 3.537 9.498 -0.125 1.00 4.11 C ATOM 2048 CG ASN A1014 3.683 9.997 1.315 1.00 64.53 C ATOM 2049 OD1 ASN A1014 4.245 11.060 1.567 1.00 25.32 O ATOM 2050 ND2 ASN A1014 3.172 9.224 2.268 1.00 25.44 N ATOM 0 H ASN A1014 3.436 8.187 -2.215 1.00 70.42 H new ATOM 0 HA ASN A1014 5.590 9.342 -0.808 1.00 15.52 H new ATOM 0 HB2 ASN A1014 3.391 10.356 -0.781 1.00 4.11 H new ATOM 0 HB3 ASN A1014 2.637 8.887 -0.195 1.00 4.11 H new ATOM 0 HD21 ASN A1014 3.240 9.507 3.246 1.00 25.44 H new ATOM 0 HD22 ASN A1014 2.712 8.348 2.022 1.00 25.44 H new ATOM 2057 N PHE A1015 4.350 6.543 0.517 1.00 21.02 N ATOM 2058 CA PHE A1015 4.608 5.431 1.439 1.00 55.21 C ATOM 2059 C PHE A1015 5.934 4.755 1.092 1.00 62.03 C ATOM 2060 O PHE A1015 6.827 4.739 1.926 1.00 73.03 O ATOM 2061 CB PHE A1015 3.438 4.411 1.407 1.00 50.30 C ATOM 2062 CG PHE A1015 3.733 3.041 2.045 1.00 1.45 C ATOM 2063 CD1 PHE A1015 3.863 1.909 1.251 1.00 44.01 C ATOM 2064 CD2 PHE A1015 3.880 2.884 3.420 1.00 71.23 C ATOM 2065 CE1 PHE A1015 4.116 0.675 1.788 1.00 55.43 C ATOM 2066 CE2 PHE A1015 4.137 1.640 3.967 1.00 11.53 C ATOM 2067 CZ PHE A1015 4.255 0.535 3.146 1.00 43.10 C ATOM 0 H PHE A1015 3.493 6.433 -0.025 1.00 21.02 H new ATOM 0 HA PHE A1015 4.679 5.826 2.452 1.00 55.21 H new ATOM 0 HB2 PHE A1015 2.581 4.852 1.916 1.00 50.30 H new ATOM 0 HB3 PHE A1015 3.145 4.253 0.369 1.00 50.30 H new ATOM 0 HD1 PHE A1015 3.762 2.005 0.180 1.00 44.01 H new ATOM 0 HD2 PHE A1015 3.792 3.744 4.068 1.00 71.23 H new ATOM 0 HE1 PHE A1015 4.206 -0.187 1.144 1.00 55.43 H new ATOM 0 HE2 PHE A1015 4.245 1.532 5.036 1.00 11.53 H new ATOM 0 HZ PHE A1015 4.456 -0.437 3.572 1.00 43.10 H new ATOM 2077 N GLU A1016 6.041 4.251 -0.160 1.00 54.03 N ATOM 2078 CA GLU A1016 7.221 3.535 -0.662 1.00 43.12 C ATOM 2079 C GLU A1016 8.524 4.318 -0.420 1.00 3.23 C ATOM 2080 O GLU A1016 9.484 3.766 0.131 1.00 33.22 O ATOM 2081 CB GLU A1016 7.072 3.224 -2.172 1.00 15.21 C ATOM 2082 CG GLU A1016 8.245 2.391 -2.744 1.00 34.01 C ATOM 2083 CD GLU A1016 8.247 2.299 -4.267 1.00 3.34 C ATOM 2084 OE1 GLU A1016 8.692 3.273 -4.913 1.00 21.14 O ATOM 2085 OE2 GLU A1016 7.827 1.266 -4.835 1.00 44.30 O ATOM 0 H GLU A1016 5.297 4.335 -0.853 1.00 54.03 H new ATOM 0 HA GLU A1016 7.283 2.601 -0.103 1.00 43.12 H new ATOM 0 HB2 GLU A1016 6.139 2.684 -2.334 1.00 15.21 H new ATOM 0 HB3 GLU A1016 6.998 4.161 -2.723 1.00 15.21 H new ATOM 0 HG2 GLU A1016 9.186 2.831 -2.414 1.00 34.01 H new ATOM 0 HG3 GLU A1016 8.201 1.384 -2.328 1.00 34.01 H new ATOM 2092 N ALA A1017 8.519 5.607 -0.808 1.00 55.12 N ATOM 2093 CA ALA A1017 9.686 6.490 -0.668 1.00 13.34 C ATOM 2094 C ALA A1017 10.083 6.651 0.812 1.00 5.11 C ATOM 2095 O ALA A1017 11.193 6.281 1.212 1.00 14.43 O ATOM 2096 CB ALA A1017 9.404 7.858 -1.305 1.00 70.41 C ATOM 0 H ALA A1017 7.707 6.062 -1.226 1.00 55.12 H new ATOM 0 HA ALA A1017 10.524 6.030 -1.192 1.00 13.34 H new ATOM 0 HB1 ALA A1017 10.278 8.499 -1.192 1.00 70.41 H new ATOM 0 HB2 ALA A1017 9.184 7.728 -2.365 1.00 70.41 H new ATOM 0 HB3 ALA A1017 8.549 8.320 -0.811 1.00 70.41 H new ATOM 2102 N LYS A1018 9.125 7.138 1.626 1.00 5.20 N ATOM 2103 CA LYS A1018 9.356 7.446 3.052 1.00 43.24 C ATOM 2104 C LYS A1018 9.691 6.184 3.873 1.00 44.12 C ATOM 2105 O LYS A1018 10.454 6.246 4.852 1.00 4.22 O ATOM 2106 CB LYS A1018 8.120 8.180 3.643 1.00 5.14 C ATOM 2107 CG LYS A1018 8.246 8.613 5.129 1.00 50.20 C ATOM 2108 CD LYS A1018 9.463 9.535 5.409 1.00 33.42 C ATOM 2109 CE LYS A1018 9.390 10.880 4.665 1.00 35.11 C ATOM 2110 NZ LYS A1018 8.184 11.666 5.037 1.00 43.41 N ATOM 0 H LYS A1018 8.172 7.328 1.315 1.00 5.20 H new ATOM 0 HA LYS A1018 10.224 8.102 3.115 1.00 43.24 H new ATOM 0 HB2 LYS A1018 7.923 9.066 3.040 1.00 5.14 H new ATOM 0 HB3 LYS A1018 7.252 7.529 3.545 1.00 5.14 H new ATOM 0 HG2 LYS A1018 7.334 9.130 5.426 1.00 50.20 H new ATOM 0 HG3 LYS A1018 8.325 7.722 5.752 1.00 50.20 H new ATOM 0 HD2 LYS A1018 9.529 9.723 6.481 1.00 33.42 H new ATOM 0 HD3 LYS A1018 10.377 9.017 5.120 1.00 33.42 H new ATOM 0 HE2 LYS A1018 10.284 11.464 4.886 1.00 35.11 H new ATOM 0 HE3 LYS A1018 9.385 10.698 3.590 1.00 35.11 H new ATOM 0 HZ1 LYS A1018 8.229 12.604 4.590 1.00 43.41 H new ATOM 0 HZ2 LYS A1018 7.331 11.168 4.711 1.00 43.41 H new ATOM 0 HZ3 LYS A1018 8.147 11.777 6.070 1.00 43.41 H new ATOM 2124 N MET A1019 9.153 5.032 3.453 1.00 44.51 N ATOM 2125 CA MET A1019 9.368 3.774 4.176 1.00 60.23 C ATOM 2126 C MET A1019 10.692 3.109 3.747 1.00 62.44 C ATOM 2127 O MET A1019 11.249 2.284 4.482 1.00 20.15 O ATOM 2128 CB MET A1019 8.161 2.808 4.051 1.00 5.33 C ATOM 2129 CG MET A1019 8.105 1.947 2.772 1.00 33.13 C ATOM 2130 SD MET A1019 7.510 0.286 3.108 1.00 12.51 S ATOM 2131 CE MET A1019 8.667 -0.211 4.375 1.00 43.14 C ATOM 0 H MET A1019 8.569 4.946 2.621 1.00 44.51 H new ATOM 0 HA MET A1019 9.451 4.018 5.235 1.00 60.23 H new ATOM 0 HB2 MET A1019 8.166 2.141 4.913 1.00 5.33 H new ATOM 0 HB3 MET A1019 7.245 3.396 4.108 1.00 5.33 H new ATOM 0 HG2 MET A1019 7.453 2.425 2.041 1.00 33.13 H new ATOM 0 HG3 MET A1019 9.098 1.894 2.327 1.00 33.13 H new ATOM 0 HE1 MET A1019 8.708 -1.299 4.423 1.00 43.14 H new ATOM 0 HE2 MET A1019 9.657 0.180 4.138 1.00 43.14 H new ATOM 0 HE3 MET A1019 8.343 0.183 5.338 1.00 43.14 H new ATOM 2141 N ALA A1020 11.178 3.470 2.545 1.00 20.20 N ATOM 2142 CA ALA A1020 12.556 3.167 2.113 1.00 54.45 C ATOM 2143 C ALA A1020 13.557 4.048 2.887 1.00 1.05 C ATOM 2144 O ALA A1020 14.719 3.671 3.073 1.00 21.42 O ATOM 2145 CB ALA A1020 12.702 3.378 0.599 1.00 12.03 C ATOM 0 H ALA A1020 10.631 3.977 1.849 1.00 20.20 H new ATOM 0 HA ALA A1020 12.773 2.121 2.332 1.00 54.45 H new ATOM 0 HB1 ALA A1020 13.724 3.150 0.297 1.00 12.03 H new ATOM 0 HB2 ALA A1020 12.012 2.719 0.072 1.00 12.03 H new ATOM 0 HB3 ALA A1020 12.473 4.415 0.352 1.00 12.03 H new ATOM 2151 N LEU A1021 13.085 5.241 3.311 1.00 41.25 N ATOM 2152 CA LEU A1021 13.860 6.172 4.155 1.00 41.42 C ATOM 2153 C LEU A1021 13.821 5.761 5.649 1.00 3.00 C ATOM 2154 O LEU A1021 14.720 6.153 6.403 1.00 43.25 O ATOM 2155 CB LEU A1021 13.326 7.624 3.976 1.00 32.53 C ATOM 2156 CG LEU A1021 13.368 8.193 2.517 1.00 21.40 C ATOM 2157 CD1 LEU A1021 12.730 9.599 2.436 1.00 31.42 C ATOM 2158 CD2 LEU A1021 14.803 8.182 1.945 1.00 24.31 C ATOM 0 H LEU A1021 12.154 5.584 3.076 1.00 41.25 H new ATOM 0 HA LEU A1021 14.900 6.129 3.832 1.00 41.42 H new ATOM 0 HB2 LEU A1021 12.295 7.658 4.329 1.00 32.53 H new ATOM 0 HB3 LEU A1021 13.905 8.286 4.620 1.00 32.53 H new ATOM 0 HG LEU A1021 12.767 7.531 1.893 1.00 21.40 H new ATOM 0 HD11 LEU A1021 12.777 9.961 1.409 1.00 31.42 H new ATOM 0 HD12 LEU A1021 11.689 9.545 2.754 1.00 31.42 H new ATOM 0 HD13 LEU A1021 13.273 10.283 3.088 1.00 31.42 H new ATOM 0 HD21 LEU A1021 14.794 8.583 0.932 1.00 24.31 H new ATOM 0 HD22 LEU A1021 15.450 8.795 2.573 1.00 24.31 H new ATOM 0 HD23 LEU A1021 15.180 7.159 1.927 1.00 24.31 H new ATOM 2170 N LEU A1022 12.762 5.004 6.068 1.00 72.22 N ATOM 2171 CA LEU A1022 12.634 4.458 7.458 1.00 62.24 C ATOM 2172 C LEU A1022 13.937 3.737 7.920 1.00 23.03 C ATOM 2173 O LEU A1022 14.270 2.671 7.380 1.00 33.20 O ATOM 2174 CB LEU A1022 11.425 3.476 7.585 1.00 63.31 C ATOM 2175 CG LEU A1022 9.995 4.092 7.701 1.00 30.24 C ATOM 2176 CD1 LEU A1022 8.918 2.983 7.773 1.00 70.32 C ATOM 2177 CD2 LEU A1022 9.878 5.026 8.915 1.00 33.01 C ATOM 0 H LEU A1022 11.981 4.757 5.460 1.00 72.22 H new ATOM 0 HA LEU A1022 12.460 5.316 8.107 1.00 62.24 H new ATOM 0 HB2 LEU A1022 11.436 2.817 6.717 1.00 63.31 H new ATOM 0 HB3 LEU A1022 11.592 2.851 8.462 1.00 63.31 H new ATOM 0 HG LEU A1022 9.826 4.685 6.802 1.00 30.24 H new ATOM 0 HD11 LEU A1022 7.931 3.439 7.853 1.00 70.32 H new ATOM 0 HD12 LEU A1022 8.963 2.373 6.871 1.00 70.32 H new ATOM 0 HD13 LEU A1022 9.100 2.355 8.645 1.00 70.32 H new ATOM 0 HD21 LEU A1022 8.869 5.436 8.963 1.00 33.01 H new ATOM 0 HD22 LEU A1022 10.086 4.466 9.827 1.00 33.01 H new ATOM 0 HD23 LEU A1022 10.596 5.840 8.818 1.00 33.01 H new