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 -80:sc= 0.417 USER MOD Set 1.2: A 40 TYR OH : rot 162:sc= 0.569 USER MOD Set 1.3: A 71 THR OG1 : rot -139:sc= -0.858! USER MOD Set 1.4: A 74 ASN : amide:sc= 0.236 K(o=0.36,f=-1.6) USER MOD Single : A 2 THR OG1 : rot -35:sc= 0.163 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= 0.786 K(o=0.79,f=-4.6!) USER MOD Single : A 12 GLN : amide:sc= 0.374 K(o=0.37,f=-4!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 77:sc= 0.99 USER MOD Single : A 26 GLN : amide:sc= -0.0484 K(o=-0.048,f=-2.6!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 36 GLN : amide:sc= -0.818 K(o=-0.82,f=-0.019) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc=-0.00672 K(o=-0.0067,f=-0.82) USER MOD Single : A 43 SER OG : rot 77:sc= 1 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0852 USER MOD Single : A 48 MET CE :methyl -160:sc= -0.117 (180deg=-0.555) USER MOD Single : A 57 THR OG1 : rot -160:sc= -0.379 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 63 MET CE :methyl 172:sc= -1.09 (180deg=-1.42) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.04 K(o=-1,f=-2.5!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -142:sc= 1.92 (180deg=0.531) USER MOD Single : A 83 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.14) USER MOD Single : A 84 GLN : amide:sc= -0.578 K(o=-0.58,f=0) USER MOD Single : A 90 SER OG : rot -13:sc= 0.584 USER MOD Single : A1001 MET CE :methyl 160:sc= -0.124 (180deg=-0.6) 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 -75:sc= 0.764 USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1014 ASN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A1018 LYS NZ :NH3+ -128:sc= 0.318 (180deg=-0.876!) USER MOD Single : A1019 MET CE :methyl -160:sc= -2.36 (180deg=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 2.546 -4.841 23.249 1.00 32.55 N ATOM 21 CA THR A 2 1.492 -4.163 22.462 1.00 61.53 C ATOM 22 C THR A 2 2.028 -3.531 21.161 1.00 64.22 C ATOM 23 O THR A 2 1.430 -3.718 20.101 1.00 62.44 O ATOM 24 CB THR A 2 0.766 -3.072 23.317 1.00 25.20 C ATOM 25 OG1 THR A 2 1.734 -2.216 23.947 1.00 61.05 O ATOM 26 CG2 THR A 2 -0.153 -3.692 24.389 1.00 11.20 C ATOM 0 HA THR A 2 0.780 -4.939 22.181 1.00 61.53 H new ATOM 0 HB THR A 2 0.141 -2.490 22.639 1.00 25.20 H new ATOM 0 HG1 THR A 2 2.524 -2.741 24.192 1.00 61.05 H new ATOM 0 HG21 THR A 2 -0.636 -2.898 24.958 1.00 11.20 H new ATOM 0 HG22 THR A 2 -0.913 -4.306 23.906 1.00 11.20 H new ATOM 0 HG23 THR A 2 0.440 -4.312 25.062 1.00 11.20 H new ATOM 34 N SER A 3 3.167 -2.815 21.250 1.00 72.45 N ATOM 35 CA SER A 3 3.784 -2.152 20.082 1.00 75.44 C ATOM 36 C SER A 3 4.322 -3.175 19.070 1.00 20.43 C ATOM 37 O SER A 3 4.281 -2.930 17.867 1.00 64.52 O ATOM 38 CB SER A 3 4.911 -1.202 20.529 1.00 0.45 C ATOM 39 OG SER A 3 4.422 -0.213 21.416 1.00 61.42 O ATOM 0 H SER A 3 3.680 -2.681 22.121 1.00 72.45 H new ATOM 0 HA SER A 3 3.006 -1.569 19.588 1.00 75.44 H new ATOM 0 HB2 SER A 3 5.701 -1.774 21.016 1.00 0.45 H new ATOM 0 HB3 SER A 3 5.356 -0.724 19.656 1.00 0.45 H new ATOM 0 HG SER A 3 5.157 0.376 21.686 1.00 61.42 H new ATOM 45 N THR A 4 4.822 -4.312 19.588 1.00 64.13 N ATOM 46 CA THR A 4 5.294 -5.446 18.772 1.00 64.11 C ATOM 47 C THR A 4 4.137 -6.022 17.937 1.00 54.00 C ATOM 48 O THR A 4 4.249 -6.144 16.705 1.00 53.42 O ATOM 49 CB THR A 4 5.917 -6.569 19.681 1.00 12.15 C ATOM 50 OG1 THR A 4 7.085 -6.058 20.350 1.00 65.20 O ATOM 51 CG2 THR A 4 6.271 -7.856 18.904 1.00 12.40 C ATOM 0 H THR A 4 4.910 -4.471 20.592 1.00 64.13 H new ATOM 0 HA THR A 4 6.069 -5.080 18.098 1.00 64.11 H new ATOM 0 HB THR A 4 5.155 -6.847 20.409 1.00 12.15 H new ATOM 0 HG1 THR A 4 7.470 -6.759 20.917 1.00 65.20 H new ATOM 0 HG21 THR A 4 6.696 -8.589 19.589 1.00 12.40 H new ATOM 0 HG22 THR A 4 5.370 -8.265 18.448 1.00 12.40 H new ATOM 0 HG23 THR A 4 6.998 -7.623 18.126 1.00 12.40 H new ATOM 59 N VAL A 5 3.017 -6.331 18.630 1.00 44.41 N ATOM 60 CA VAL A 5 1.821 -6.912 18.015 1.00 60.41 C ATOM 61 C VAL A 5 1.267 -5.965 16.948 1.00 11.53 C ATOM 62 O VAL A 5 1.093 -6.376 15.814 1.00 32.52 O ATOM 63 CB VAL A 5 0.709 -7.249 19.080 1.00 51.14 C ATOM 64 CG1 VAL A 5 -0.553 -7.842 18.406 1.00 55.41 C ATOM 65 CG2 VAL A 5 1.251 -8.210 20.165 1.00 41.01 C ATOM 0 H VAL A 5 2.926 -6.180 19.635 1.00 44.41 H new ATOM 0 HA VAL A 5 2.115 -7.852 17.548 1.00 60.41 H new ATOM 0 HB VAL A 5 0.424 -6.315 19.564 1.00 51.14 H new ATOM 0 HG11 VAL A 5 -1.301 -8.064 19.167 1.00 55.41 H new ATOM 0 HG12 VAL A 5 -0.959 -7.121 17.697 1.00 55.41 H new ATOM 0 HG13 VAL A 5 -0.288 -8.759 17.880 1.00 55.41 H new ATOM 0 HG21 VAL A 5 0.463 -8.426 20.887 1.00 41.01 H new ATOM 0 HG22 VAL A 5 1.579 -9.138 19.698 1.00 41.01 H new ATOM 0 HG23 VAL A 5 2.093 -7.744 20.676 1.00 41.01 H new ATOM 75 N GLU A 6 1.057 -4.686 17.317 1.00 11.24 N ATOM 76 CA GLU A 6 0.542 -3.665 16.386 1.00 75.51 C ATOM 77 C GLU A 6 1.445 -3.529 15.151 1.00 64.54 C ATOM 78 O GLU A 6 0.956 -3.575 14.041 1.00 21.32 O ATOM 79 CB GLU A 6 0.375 -2.287 17.082 1.00 51.22 C ATOM 80 CG GLU A 6 -0.714 -2.243 18.166 1.00 60.53 C ATOM 81 CD GLU A 6 -2.108 -2.641 17.644 1.00 43.32 C ATOM 82 OE1 GLU A 6 -2.632 -3.704 18.036 1.00 71.04 O ATOM 83 OE2 GLU A 6 -2.684 -1.892 16.829 1.00 3.20 O ATOM 0 H GLU A 6 1.237 -4.335 18.258 1.00 11.24 H new ATOM 0 HA GLU A 6 -0.442 -4.001 16.059 1.00 75.51 H new ATOM 0 HB2 GLU A 6 1.327 -2.004 17.531 1.00 51.22 H new ATOM 0 HB3 GLU A 6 0.145 -1.538 16.324 1.00 51.22 H new ATOM 0 HG2 GLU A 6 -0.434 -2.911 18.980 1.00 60.53 H new ATOM 0 HG3 GLU A 6 -0.763 -1.237 18.582 1.00 60.53 H new ATOM 90 N PHE A 7 2.766 -3.437 15.363 1.00 11.32 N ATOM 91 CA PHE A 7 3.741 -3.223 14.274 1.00 60.41 C ATOM 92 C PHE A 7 3.660 -4.365 13.228 1.00 32.24 C ATOM 93 O PHE A 7 3.387 -4.117 12.049 1.00 31.34 O ATOM 94 CB PHE A 7 5.170 -3.110 14.874 1.00 73.10 C ATOM 95 CG PHE A 7 6.237 -2.547 13.941 1.00 52.41 C ATOM 96 CD1 PHE A 7 7.367 -3.289 13.592 1.00 71.11 C ATOM 97 CD2 PHE A 7 6.126 -1.249 13.444 1.00 53.41 C ATOM 98 CE1 PHE A 7 8.346 -2.748 12.781 1.00 5.33 C ATOM 99 CE2 PHE A 7 7.103 -0.714 12.629 1.00 44.43 C ATOM 100 CZ PHE A 7 8.213 -1.461 12.302 1.00 25.25 C ATOM 0 H PHE A 7 3.191 -3.508 16.288 1.00 11.32 H new ATOM 0 HA PHE A 7 3.503 -2.293 13.758 1.00 60.41 H new ATOM 0 HB2 PHE A 7 5.122 -2.481 15.763 1.00 73.10 H new ATOM 0 HB3 PHE A 7 5.486 -4.101 15.201 1.00 73.10 H new ATOM 0 HD1 PHE A 7 7.477 -4.298 13.960 1.00 71.11 H new ATOM 0 HD2 PHE A 7 5.263 -0.653 13.701 1.00 53.41 H new ATOM 0 HE1 PHE A 7 9.216 -3.333 12.522 1.00 5.33 H new ATOM 0 HE2 PHE A 7 6.997 0.291 12.248 1.00 44.43 H new ATOM 0 HZ PHE A 7 8.980 -1.039 11.670 1.00 25.25 H new ATOM 110 N ILE A 8 3.806 -5.618 13.713 1.00 44.23 N ATOM 111 CA ILE A 8 3.837 -6.827 12.860 1.00 74.21 C ATOM 112 C ILE A 8 2.458 -7.096 12.212 1.00 10.32 C ATOM 113 O ILE A 8 2.385 -7.419 11.023 1.00 33.21 O ATOM 114 CB ILE A 8 4.289 -8.086 13.688 1.00 74.54 C ATOM 115 CG1 ILE A 8 5.664 -7.817 14.370 1.00 42.43 C ATOM 116 CG2 ILE A 8 4.349 -9.360 12.805 1.00 24.42 C ATOM 117 CD1 ILE A 8 6.078 -8.871 15.375 1.00 3.24 C ATOM 0 H ILE A 8 3.906 -5.820 14.708 1.00 44.23 H new ATOM 0 HA ILE A 8 4.562 -6.645 12.067 1.00 74.21 H new ATOM 0 HB ILE A 8 3.543 -8.264 14.462 1.00 74.54 H new ATOM 0 HG12 ILE A 8 6.431 -7.746 13.599 1.00 42.43 H new ATOM 0 HG13 ILE A 8 5.625 -6.850 14.871 1.00 42.43 H new ATOM 0 HG21 ILE A 8 4.665 -10.209 13.412 1.00 24.42 H new ATOM 0 HG22 ILE A 8 3.362 -9.560 12.387 1.00 24.42 H new ATOM 0 HG23 ILE A 8 5.062 -9.208 11.995 1.00 24.42 H new ATOM 0 HD11 ILE A 8 7.045 -8.607 15.802 1.00 3.24 H new ATOM 0 HD12 ILE A 8 5.334 -8.928 16.170 1.00 3.24 H new ATOM 0 HD13 ILE A 8 6.153 -9.838 14.878 1.00 3.24 H new ATOM 129 N ASN A 9 1.375 -6.940 13.008 1.00 70.30 N ATOM 130 CA ASN A 9 -0.017 -7.169 12.552 1.00 11.03 C ATOM 131 C ASN A 9 -0.410 -6.159 11.475 1.00 55.01 C ATOM 132 O ASN A 9 -1.003 -6.544 10.480 1.00 3.32 O ATOM 133 CB ASN A 9 -1.042 -7.115 13.734 1.00 23.14 C ATOM 134 CG ASN A 9 -1.214 -8.464 14.435 1.00 12.35 C ATOM 135 OD1 ASN A 9 -2.176 -9.189 14.185 1.00 25.14 O ATOM 136 ND2 ASN A 9 -0.262 -8.844 15.262 1.00 31.44 N ATOM 0 H ASN A 9 1.441 -6.652 13.984 1.00 70.30 H new ATOM 0 HA ASN A 9 -0.049 -8.173 12.129 1.00 11.03 H new ATOM 0 HB2 ASN A 9 -0.712 -6.373 14.461 1.00 23.14 H new ATOM 0 HB3 ASN A 9 -2.008 -6.782 13.355 1.00 23.14 H new ATOM 0 HD21 ASN A 9 -0.312 -9.758 15.712 1.00 31.44 H new ATOM 0 HD22 ASN A 9 0.525 -8.224 15.453 1.00 31.44 H new ATOM 143 N ARG A 10 -0.059 -4.880 11.683 1.00 64.41 N ATOM 144 CA ARG A 10 -0.378 -3.806 10.723 1.00 32.54 C ATOM 145 C ARG A 10 0.394 -4.016 9.420 1.00 33.43 C ATOM 146 O ARG A 10 -0.203 -3.921 8.362 1.00 50.52 O ATOM 147 CB ARG A 10 -0.099 -2.399 11.309 1.00 42.30 C ATOM 148 CG ARG A 10 -1.052 -1.996 12.455 1.00 54.43 C ATOM 149 CD ARG A 10 -0.568 -0.747 13.212 1.00 61.12 C ATOM 150 NE ARG A 10 -1.382 -0.462 14.403 1.00 2.14 N ATOM 151 CZ ARG A 10 -1.268 0.643 15.167 1.00 15.12 C ATOM 152 NH1 ARG A 10 -0.376 1.585 14.882 1.00 31.31 N ATOM 153 NH2 ARG A 10 -2.031 0.789 16.232 1.00 72.31 N ATOM 0 H ARG A 10 0.447 -4.562 12.509 1.00 64.41 H new ATOM 0 HA ARG A 10 -1.446 -3.857 10.514 1.00 32.54 H new ATOM 0 HB2 ARG A 10 0.927 -2.366 11.675 1.00 42.30 H new ATOM 0 HB3 ARG A 10 -0.176 -1.662 10.510 1.00 42.30 H new ATOM 0 HG2 ARG A 10 -2.045 -1.808 12.048 1.00 54.43 H new ATOM 0 HG3 ARG A 10 -1.146 -2.827 13.154 1.00 54.43 H new ATOM 0 HD2 ARG A 10 0.471 -0.886 13.510 1.00 61.12 H new ATOM 0 HD3 ARG A 10 -0.595 0.113 12.543 1.00 61.12 H new ATOM 0 HE ARG A 10 -2.085 -1.151 14.671 1.00 2.14 H new ATOM 0 HH11 ARG A 10 0.237 1.479 14.074 1.00 31.31 H new ATOM 0 HH12 ARG A 10 -0.304 2.414 15.471 1.00 31.31 H new ATOM 0 HH21 ARG A 10 -2.707 0.066 16.478 1.00 72.31 H new ATOM 0 HH22 ARG A 10 -1.945 1.625 16.810 1.00 72.31 H new ATOM 167 N TRP A 11 1.707 -4.349 9.509 1.00 23.44 N ATOM 168 CA TRP A 11 2.514 -4.717 8.313 1.00 52.33 C ATOM 169 C TRP A 11 1.896 -5.916 7.577 1.00 4.43 C ATOM 170 O TRP A 11 1.892 -5.958 6.342 1.00 43.22 O ATOM 171 CB TRP A 11 3.996 -5.039 8.666 1.00 25.34 C ATOM 172 CG TRP A 11 4.857 -3.822 8.866 1.00 1.21 C ATOM 173 CD1 TRP A 11 5.554 -3.485 9.982 1.00 74.51 C ATOM 174 CD2 TRP A 11 5.104 -2.773 7.912 1.00 43.31 C ATOM 175 NE1 TRP A 11 6.219 -2.307 9.784 1.00 3.24 N ATOM 176 CE2 TRP A 11 5.961 -1.849 8.529 1.00 50.11 C ATOM 177 CE3 TRP A 11 4.680 -2.525 6.601 1.00 51.14 C ATOM 178 CZ2 TRP A 11 6.400 -0.695 7.894 1.00 42.24 C ATOM 179 CZ3 TRP A 11 5.123 -1.385 5.967 1.00 33.31 C ATOM 180 CH2 TRP A 11 5.972 -0.480 6.617 1.00 60.41 C ATOM 0 H TRP A 11 2.227 -4.371 10.386 1.00 23.44 H new ATOM 0 HA TRP A 11 2.505 -3.843 7.662 1.00 52.33 H new ATOM 0 HB2 TRP A 11 4.020 -5.641 9.574 1.00 25.34 H new ATOM 0 HB3 TRP A 11 4.424 -5.647 7.869 1.00 25.34 H new ATOM 0 HD1 TRP A 11 5.579 -4.064 10.894 1.00 74.51 H new ATOM 0 HE1 TRP A 11 6.815 -1.844 10.470 1.00 3.24 H new ATOM 0 HE3 TRP A 11 4.019 -3.214 6.097 1.00 51.14 H new ATOM 0 HZ2 TRP A 11 7.055 0.005 8.392 1.00 42.24 H new ATOM 0 HZ3 TRP A 11 4.811 -1.186 4.953 1.00 33.31 H new ATOM 0 HH2 TRP A 11 6.295 0.408 6.095 1.00 60.41 H new ATOM 191 N GLN A 12 1.371 -6.870 8.361 1.00 64.22 N ATOM 192 CA GLN A 12 0.695 -8.062 7.847 1.00 5.32 C ATOM 193 C GLN A 12 -0.584 -7.658 7.105 1.00 44.11 C ATOM 194 O GLN A 12 -0.845 -8.162 6.023 1.00 54.50 O ATOM 195 CB GLN A 12 0.366 -9.033 9.009 1.00 74.23 C ATOM 196 CG GLN A 12 -0.226 -10.388 8.581 1.00 70.31 C ATOM 197 CD GLN A 12 -0.537 -11.307 9.765 1.00 2.41 C ATOM 198 OE1 GLN A 12 -0.872 -10.850 10.859 1.00 44.14 O ATOM 199 NE2 GLN A 12 -0.427 -12.601 9.561 1.00 61.33 N ATOM 0 H GLN A 12 1.406 -6.831 9.380 1.00 64.22 H new ATOM 0 HA GLN A 12 1.357 -8.573 7.148 1.00 5.32 H new ATOM 0 HB2 GLN A 12 1.278 -9.216 9.578 1.00 74.23 H new ATOM 0 HB3 GLN A 12 -0.337 -8.543 9.683 1.00 74.23 H new ATOM 0 HG2 GLN A 12 -1.140 -10.215 8.013 1.00 70.31 H new ATOM 0 HG3 GLN A 12 0.475 -10.890 7.913 1.00 70.31 H new ATOM 0 HE21 GLN A 12 -0.148 -12.951 8.645 1.00 61.33 H new ATOM 0 HE22 GLN A 12 -0.621 -13.255 10.319 1.00 61.33 H new ATOM 208 N ARG A 13 -1.348 -6.699 7.687 1.00 0.14 N ATOM 209 CA ARG A 13 -2.611 -6.219 7.099 1.00 11.33 C ATOM 210 C ARG A 13 -2.335 -5.500 5.777 1.00 61.13 C ATOM 211 O ARG A 13 -3.036 -5.721 4.814 1.00 60.32 O ATOM 212 CB ARG A 13 -3.383 -5.272 8.060 1.00 65.30 C ATOM 213 CG ARG A 13 -3.829 -5.909 9.397 1.00 21.54 C ATOM 214 CD ARG A 13 -4.611 -7.234 9.232 1.00 33.53 C ATOM 215 NE ARG A 13 -4.921 -7.860 10.533 1.00 43.42 N ATOM 216 CZ ARG A 13 -4.064 -8.607 11.255 1.00 73.41 C ATOM 217 NH1 ARG A 13 -2.827 -8.842 10.824 1.00 44.52 N ATOM 218 NH2 ARG A 13 -4.462 -9.123 12.409 1.00 13.32 N ATOM 0 H ARG A 13 -1.104 -6.245 8.567 1.00 0.14 H new ATOM 0 HA ARG A 13 -3.238 -7.093 6.921 1.00 11.33 H new ATOM 0 HB2 ARG A 13 -2.752 -4.411 8.279 1.00 65.30 H new ATOM 0 HB3 ARG A 13 -4.266 -4.897 7.543 1.00 65.30 H new ATOM 0 HG2 ARG A 13 -2.948 -6.093 10.012 1.00 21.54 H new ATOM 0 HG3 ARG A 13 -4.452 -5.196 9.938 1.00 21.54 H new ATOM 0 HD2 ARG A 13 -5.538 -7.043 8.692 1.00 33.53 H new ATOM 0 HD3 ARG A 13 -4.027 -7.927 8.627 1.00 33.53 H new ATOM 0 HE ARG A 13 -5.856 -7.716 10.914 1.00 43.42 H new ATOM 0 HH11 ARG A 13 -2.515 -8.454 9.934 1.00 44.52 H new ATOM 0 HH12 ARG A 13 -2.191 -9.410 11.384 1.00 44.52 H new ATOM 0 HH21 ARG A 13 -5.410 -8.953 12.744 1.00 13.32 H new ATOM 0 HH22 ARG A 13 -3.820 -9.690 12.963 1.00 13.32 H new ATOM 232 N ILE A 14 -1.279 -4.667 5.761 1.00 74.25 N ATOM 233 CA ILE A 14 -0.853 -3.894 4.574 1.00 71.43 C ATOM 234 C ILE A 14 -0.402 -4.839 3.452 1.00 43.43 C ATOM 235 O ILE A 14 -0.694 -4.605 2.289 1.00 62.00 O ATOM 236 CB ILE A 14 0.324 -2.918 4.938 1.00 63.33 C ATOM 237 CG1 ILE A 14 -0.111 -1.940 6.046 1.00 5.11 C ATOM 238 CG2 ILE A 14 0.842 -2.130 3.715 1.00 14.44 C ATOM 239 CD1 ILE A 14 1.013 -1.107 6.600 1.00 14.35 C ATOM 0 H ILE A 14 -0.690 -4.508 6.578 1.00 74.25 H new ATOM 0 HA ILE A 14 -1.706 -3.309 4.231 1.00 71.43 H new ATOM 0 HB ILE A 14 1.146 -3.537 5.297 1.00 63.33 H new ATOM 0 HG12 ILE A 14 -0.880 -1.277 5.650 1.00 5.11 H new ATOM 0 HG13 ILE A 14 -0.565 -2.506 6.859 1.00 5.11 H new ATOM 0 HG21 ILE A 14 1.654 -1.472 4.024 1.00 14.44 H new ATOM 0 HG22 ILE A 14 1.207 -2.827 2.961 1.00 14.44 H new ATOM 0 HG23 ILE A 14 0.031 -1.534 3.296 1.00 14.44 H new ATOM 0 HD11 ILE A 14 0.627 -0.444 7.375 1.00 14.35 H new ATOM 0 HD12 ILE A 14 1.774 -1.760 7.027 1.00 14.35 H new ATOM 0 HD13 ILE A 14 1.454 -0.512 5.800 1.00 14.35 H new ATOM 251 N ALA A 15 0.303 -5.912 3.847 1.00 55.21 N ATOM 252 CA ALA A 15 0.812 -6.938 2.929 1.00 2.41 C ATOM 253 C ALA A 15 -0.349 -7.700 2.259 1.00 73.20 C ATOM 254 O ALA A 15 -0.350 -7.903 1.040 1.00 42.41 O ATOM 255 CB ALA A 15 1.726 -7.898 3.698 1.00 22.33 C ATOM 0 H ALA A 15 0.537 -6.091 4.824 1.00 55.21 H new ATOM 0 HA ALA A 15 1.387 -6.456 2.138 1.00 2.41 H new ATOM 0 HB1 ALA A 15 2.106 -8.661 3.019 1.00 22.33 H new ATOM 0 HB2 ALA A 15 2.562 -7.342 4.123 1.00 22.33 H new ATOM 0 HB3 ALA A 15 1.161 -8.374 4.500 1.00 22.33 H new ATOM 261 N LEU A 16 -1.345 -8.084 3.085 1.00 51.31 N ATOM 262 CA LEU A 16 -2.543 -8.816 2.635 1.00 21.23 C ATOM 263 C LEU A 16 -3.468 -7.898 1.815 1.00 61.44 C ATOM 264 O LEU A 16 -4.075 -8.343 0.844 1.00 10.33 O ATOM 265 CB LEU A 16 -3.311 -9.401 3.853 1.00 0.53 C ATOM 266 CG LEU A 16 -2.529 -10.422 4.735 1.00 2.45 C ATOM 267 CD1 LEU A 16 -3.351 -10.830 5.977 1.00 64.43 C ATOM 268 CD2 LEU A 16 -2.077 -11.648 3.916 1.00 60.45 C ATOM 0 H LEU A 16 -1.339 -7.893 4.087 1.00 51.31 H new ATOM 0 HA LEU A 16 -2.219 -9.638 1.997 1.00 21.23 H new ATOM 0 HB2 LEU A 16 -3.629 -8.573 4.487 1.00 0.53 H new ATOM 0 HB3 LEU A 16 -4.215 -9.887 3.486 1.00 0.53 H new ATOM 0 HG LEU A 16 -1.625 -9.928 5.092 1.00 2.45 H new ATOM 0 HD11 LEU A 16 -2.781 -11.542 6.573 1.00 64.43 H new ATOM 0 HD12 LEU A 16 -3.567 -9.946 6.577 1.00 64.43 H new ATOM 0 HD13 LEU A 16 -4.287 -11.290 5.659 1.00 64.43 H new ATOM 0 HD21 LEU A 16 -1.535 -12.338 4.563 1.00 60.45 H new ATOM 0 HD22 LEU A 16 -2.951 -12.150 3.500 1.00 60.45 H new ATOM 0 HD23 LEU A 16 -1.425 -11.324 3.105 1.00 60.45 H new ATOM 280 N LEU A 17 -3.548 -6.611 2.218 1.00 12.03 N ATOM 281 CA LEU A 17 -4.364 -5.592 1.529 1.00 64.12 C ATOM 282 C LEU A 17 -3.795 -5.338 0.136 1.00 14.10 C ATOM 283 O LEU A 17 -4.515 -5.466 -0.831 1.00 12.04 O ATOM 284 CB LEU A 17 -4.442 -4.252 2.335 1.00 3.24 C ATOM 285 CG LEU A 17 -5.431 -4.231 3.542 1.00 12.23 C ATOM 286 CD1 LEU A 17 -5.234 -2.967 4.407 1.00 32.21 C ATOM 287 CD2 LEU A 17 -6.893 -4.362 3.064 1.00 65.32 C ATOM 0 H LEU A 17 -3.048 -6.251 3.031 1.00 12.03 H new ATOM 0 HA LEU A 17 -5.381 -5.977 1.449 1.00 64.12 H new ATOM 0 HB2 LEU A 17 -3.444 -4.016 2.705 1.00 3.24 H new ATOM 0 HB3 LEU A 17 -4.723 -3.454 1.647 1.00 3.24 H new ATOM 0 HG LEU A 17 -5.208 -5.094 4.169 1.00 12.23 H new ATOM 0 HD11 LEU A 17 -5.938 -2.982 5.239 1.00 32.21 H new ATOM 0 HD12 LEU A 17 -4.215 -2.946 4.794 1.00 32.21 H new ATOM 0 HD13 LEU A 17 -5.410 -2.079 3.799 1.00 32.21 H new ATOM 0 HD21 LEU A 17 -7.560 -4.344 3.926 1.00 65.32 H new ATOM 0 HD22 LEU A 17 -7.135 -3.531 2.401 1.00 65.32 H new ATOM 0 HD23 LEU A 17 -7.018 -5.303 2.528 1.00 65.32 H new ATOM 299 N SER A 18 -2.487 -5.035 0.060 1.00 75.52 N ATOM 300 CA SER A 18 -1.797 -4.733 -1.206 1.00 55.20 C ATOM 301 C SER A 18 -1.823 -5.946 -2.149 1.00 25.15 C ATOM 302 O SER A 18 -1.927 -5.774 -3.359 1.00 35.54 O ATOM 303 CB SER A 18 -0.341 -4.299 -0.940 1.00 40.41 C ATOM 304 OG SER A 18 0.373 -5.292 -0.221 1.00 23.41 O ATOM 0 H SER A 18 -1.878 -4.993 0.877 1.00 75.52 H new ATOM 0 HA SER A 18 -2.326 -3.911 -1.688 1.00 55.20 H new ATOM 0 HB2 SER A 18 0.161 -4.103 -1.888 1.00 40.41 H new ATOM 0 HB3 SER A 18 -0.335 -3.366 -0.377 1.00 40.41 H new ATOM 0 HG SER A 18 0.145 -5.235 0.730 1.00 23.41 H new ATOM 310 N GLN A 19 -1.711 -7.165 -1.569 1.00 73.12 N ATOM 311 CA GLN A 19 -1.827 -8.429 -2.322 1.00 44.02 C ATOM 312 C GLN A 19 -3.223 -8.554 -2.953 1.00 43.02 C ATOM 313 O GLN A 19 -3.342 -8.794 -4.158 1.00 3.42 O ATOM 314 CB GLN A 19 -1.538 -9.637 -1.393 1.00 70.20 C ATOM 315 CG GLN A 19 -1.604 -11.014 -2.077 1.00 41.55 C ATOM 316 CD GLN A 19 -1.272 -12.169 -1.125 1.00 50.20 C ATOM 317 OE1 GLN A 19 -0.117 -12.578 -0.994 1.00 20.31 O ATOM 318 NE2 GLN A 19 -2.270 -12.690 -0.442 1.00 51.03 N ATOM 0 H GLN A 19 -1.539 -7.296 -0.572 1.00 73.12 H new ATOM 0 HA GLN A 19 -1.089 -8.425 -3.124 1.00 44.02 H new ATOM 0 HB2 GLN A 19 -0.547 -9.512 -0.957 1.00 70.20 H new ATOM 0 HB3 GLN A 19 -2.253 -9.622 -0.570 1.00 70.20 H new ATOM 0 HG2 GLN A 19 -2.603 -11.163 -2.487 1.00 41.55 H new ATOM 0 HG3 GLN A 19 -0.909 -11.031 -2.917 1.00 41.55 H new ATOM 0 HE21 GLN A 19 -3.217 -12.333 -0.570 1.00 51.03 H new ATOM 0 HE22 GLN A 19 -2.096 -13.451 0.215 1.00 51.03 H new ATOM 327 N SER A 20 -4.266 -8.338 -2.123 1.00 53.32 N ATOM 328 CA SER A 20 -5.670 -8.395 -2.561 1.00 34.22 C ATOM 329 C SER A 20 -5.944 -7.349 -3.658 1.00 14.51 C ATOM 330 O SER A 20 -6.484 -7.677 -4.704 1.00 24.20 O ATOM 331 CB SER A 20 -6.621 -8.166 -1.366 1.00 65.04 C ATOM 332 OG SER A 20 -6.467 -9.176 -0.384 1.00 3.34 O ATOM 0 H SER A 20 -4.155 -8.120 -1.133 1.00 53.32 H new ATOM 0 HA SER A 20 -5.854 -9.387 -2.973 1.00 34.22 H new ATOM 0 HB2 SER A 20 -6.422 -7.191 -0.922 1.00 65.04 H new ATOM 0 HB3 SER A 20 -7.653 -8.152 -1.717 1.00 65.04 H new ATOM 0 HG SER A 20 -5.651 -9.009 0.132 1.00 3.34 H new ATOM 338 N LEU A 21 -5.495 -6.109 -3.402 1.00 23.44 N ATOM 339 CA LEU A 21 -5.695 -4.954 -4.286 1.00 12.24 C ATOM 340 C LEU A 21 -4.946 -5.153 -5.607 1.00 73.41 C ATOM 341 O LEU A 21 -5.406 -4.694 -6.653 1.00 62.43 O ATOM 342 CB LEU A 21 -5.219 -3.653 -3.578 1.00 62.10 C ATOM 343 CG LEU A 21 -6.041 -3.229 -2.317 1.00 12.41 C ATOM 344 CD1 LEU A 21 -5.324 -2.124 -1.512 1.00 4.22 C ATOM 345 CD2 LEU A 21 -7.464 -2.805 -2.701 1.00 73.13 C ATOM 0 H LEU A 21 -4.972 -5.879 -2.557 1.00 23.44 H new ATOM 0 HA LEU A 21 -6.758 -4.862 -4.508 1.00 12.24 H new ATOM 0 HB2 LEU A 21 -4.177 -3.781 -3.284 1.00 62.10 H new ATOM 0 HB3 LEU A 21 -5.248 -2.837 -4.300 1.00 62.10 H new ATOM 0 HG LEU A 21 -6.116 -4.102 -1.669 1.00 12.41 H new ATOM 0 HD11 LEU A 21 -5.927 -1.857 -0.644 1.00 4.22 H new ATOM 0 HD12 LEU A 21 -4.352 -2.488 -1.180 1.00 4.22 H new ATOM 0 HD13 LEU A 21 -5.187 -1.246 -2.142 1.00 4.22 H new ATOM 0 HD21 LEU A 21 -8.012 -2.516 -1.804 1.00 73.13 H new ATOM 0 HD22 LEU A 21 -7.419 -1.959 -3.387 1.00 73.13 H new ATOM 0 HD23 LEU A 21 -7.974 -3.638 -3.185 1.00 73.13 H new ATOM 357 N LEU A 22 -3.792 -5.853 -5.537 1.00 73.50 N ATOM 358 CA LEU A 22 -3.004 -6.219 -6.719 1.00 70.51 C ATOM 359 C LEU A 22 -3.806 -7.168 -7.602 1.00 12.14 C ATOM 360 O LEU A 22 -3.968 -6.900 -8.793 1.00 35.33 O ATOM 361 CB LEU A 22 -1.650 -6.866 -6.328 1.00 25.20 C ATOM 362 CG LEU A 22 -0.802 -7.447 -7.508 1.00 61.31 C ATOM 363 CD1 LEU A 22 -0.540 -6.384 -8.596 1.00 33.31 C ATOM 364 CD2 LEU A 22 0.510 -8.066 -6.995 1.00 45.42 C ATOM 0 H LEU A 22 -3.387 -6.176 -4.658 1.00 73.50 H new ATOM 0 HA LEU A 22 -2.784 -5.306 -7.272 1.00 70.51 H new ATOM 0 HB2 LEU A 22 -1.050 -6.119 -5.808 1.00 25.20 H new ATOM 0 HB3 LEU A 22 -1.845 -7.669 -5.617 1.00 25.20 H new ATOM 0 HG LEU A 22 -1.384 -8.244 -7.971 1.00 61.31 H new ATOM 0 HD11 LEU A 22 0.052 -6.824 -9.399 1.00 33.31 H new ATOM 0 HD12 LEU A 22 -1.490 -6.031 -8.997 1.00 33.31 H new ATOM 0 HD13 LEU A 22 0.004 -5.545 -8.162 1.00 33.31 H new ATOM 0 HD21 LEU A 22 1.079 -8.462 -7.836 1.00 45.42 H new ATOM 0 HD22 LEU A 22 1.098 -7.302 -6.486 1.00 45.42 H new ATOM 0 HD23 LEU A 22 0.284 -8.873 -6.298 1.00 45.42 H new ATOM 376 N GLU A 23 -4.331 -8.252 -6.989 1.00 50.22 N ATOM 377 CA GLU A 23 -5.122 -9.264 -7.709 1.00 5.30 C ATOM 378 C GLU A 23 -6.330 -8.612 -8.393 1.00 32.33 C ATOM 379 O GLU A 23 -6.539 -8.791 -9.587 1.00 23.14 O ATOM 380 CB GLU A 23 -5.574 -10.395 -6.748 1.00 13.13 C ATOM 381 CG GLU A 23 -4.415 -11.178 -6.095 1.00 12.31 C ATOM 382 CD GLU A 23 -3.436 -11.755 -7.133 1.00 55.13 C ATOM 383 OE1 GLU A 23 -3.806 -12.734 -7.820 1.00 33.45 O ATOM 384 OE2 GLU A 23 -2.309 -11.229 -7.284 1.00 44.01 O ATOM 0 H GLU A 23 -4.218 -8.445 -5.994 1.00 50.22 H new ATOM 0 HA GLU A 23 -4.492 -9.710 -8.479 1.00 5.30 H new ATOM 0 HB2 GLU A 23 -6.192 -9.962 -5.962 1.00 13.13 H new ATOM 0 HB3 GLU A 23 -6.203 -11.094 -7.299 1.00 13.13 H new ATOM 0 HG2 GLU A 23 -3.873 -10.520 -5.416 1.00 12.31 H new ATOM 0 HG3 GLU A 23 -4.823 -11.991 -5.494 1.00 12.31 H new ATOM 391 N LEU A 24 -7.046 -7.781 -7.621 1.00 41.31 N ATOM 392 CA LEU A 24 -8.232 -7.047 -8.090 1.00 52.43 C ATOM 393 C LEU A 24 -7.887 -6.123 -9.273 1.00 64.23 C ATOM 394 O LEU A 24 -8.629 -6.063 -10.243 1.00 62.14 O ATOM 395 CB LEU A 24 -8.825 -6.225 -6.926 1.00 14.41 C ATOM 396 CG LEU A 24 -9.322 -7.046 -5.703 1.00 35.34 C ATOM 397 CD1 LEU A 24 -9.519 -6.143 -4.472 1.00 35.45 C ATOM 398 CD2 LEU A 24 -10.594 -7.844 -6.039 1.00 51.02 C ATOM 0 H LEU A 24 -6.816 -7.598 -6.644 1.00 41.31 H new ATOM 0 HA LEU A 24 -8.969 -7.770 -8.438 1.00 52.43 H new ATOM 0 HB2 LEU A 24 -8.069 -5.519 -6.583 1.00 14.41 H new ATOM 0 HB3 LEU A 24 -9.660 -5.638 -7.309 1.00 14.41 H new ATOM 0 HG LEU A 24 -8.549 -7.772 -5.453 1.00 35.34 H new ATOM 0 HD11 LEU A 24 -9.867 -6.744 -3.632 1.00 35.45 H new ATOM 0 HD12 LEU A 24 -8.572 -5.670 -4.212 1.00 35.45 H new ATOM 0 HD13 LEU A 24 -10.258 -5.375 -4.699 1.00 35.45 H new ATOM 0 HD21 LEU A 24 -10.913 -8.406 -5.161 1.00 51.02 H new ATOM 0 HD22 LEU A 24 -11.386 -7.157 -6.338 1.00 51.02 H new ATOM 0 HD23 LEU A 24 -10.385 -8.535 -6.856 1.00 51.02 H new ATOM 410 N ALA A 25 -6.728 -5.442 -9.187 1.00 51.30 N ATOM 411 CA ALA A 25 -6.242 -4.545 -10.256 1.00 34.43 C ATOM 412 C ALA A 25 -5.903 -5.340 -11.533 1.00 44.21 C ATOM 413 O ALA A 25 -6.139 -4.871 -12.653 1.00 54.32 O ATOM 414 CB ALA A 25 -5.028 -3.740 -9.772 1.00 61.20 C ATOM 0 H ALA A 25 -6.105 -5.497 -8.381 1.00 51.30 H new ATOM 0 HA ALA A 25 -7.040 -3.845 -10.503 1.00 34.43 H new ATOM 0 HB1 ALA A 25 -4.683 -3.085 -10.572 1.00 61.20 H new ATOM 0 HB2 ALA A 25 -5.311 -3.139 -8.908 1.00 61.20 H new ATOM 0 HB3 ALA A 25 -4.226 -4.423 -9.492 1.00 61.20 H new ATOM 420 N GLN A 26 -5.372 -6.561 -11.337 1.00 3.51 N ATOM 421 CA GLN A 26 -5.047 -7.496 -12.434 1.00 35.21 C ATOM 422 C GLN A 26 -6.333 -8.085 -13.056 1.00 43.35 C ATOM 423 O GLN A 26 -6.340 -8.461 -14.231 1.00 4.32 O ATOM 424 CB GLN A 26 -4.119 -8.637 -11.910 1.00 54.54 C ATOM 425 CG GLN A 26 -2.739 -8.167 -11.377 1.00 24.43 C ATOM 426 CD GLN A 26 -1.724 -7.762 -12.458 1.00 14.42 C ATOM 427 OE1 GLN A 26 -2.080 -7.350 -13.564 1.00 60.20 O ATOM 428 NE2 GLN A 26 -0.438 -7.837 -12.131 1.00 54.53 N ATOM 0 H GLN A 26 -5.155 -6.930 -10.411 1.00 3.51 H new ATOM 0 HA GLN A 26 -4.520 -6.944 -13.212 1.00 35.21 H new ATOM 0 HB2 GLN A 26 -4.638 -9.169 -11.113 1.00 54.54 H new ATOM 0 HB3 GLN A 26 -3.956 -9.352 -12.717 1.00 54.54 H new ATOM 0 HG2 GLN A 26 -2.894 -7.318 -10.711 1.00 24.43 H new ATOM 0 HG3 GLN A 26 -2.307 -8.968 -10.777 1.00 24.43 H new ATOM 0 HE21 GLN A 26 -0.165 -8.181 -11.210 1.00 54.53 H new ATOM 0 HE22 GLN A 26 0.276 -7.551 -12.801 1.00 54.53 H new ATOM 437 N ARG A 27 -7.419 -8.166 -12.257 1.00 3.55 N ATOM 438 CA ARG A 27 -8.725 -8.707 -12.722 1.00 53.23 C ATOM 439 C ARG A 27 -9.678 -7.590 -13.198 1.00 52.51 C ATOM 440 O ARG A 27 -10.733 -7.880 -13.780 1.00 64.04 O ATOM 441 CB ARG A 27 -9.417 -9.553 -11.612 1.00 34.24 C ATOM 442 CG ARG A 27 -8.538 -10.651 -10.972 1.00 71.53 C ATOM 443 CD ARG A 27 -7.855 -11.587 -11.981 1.00 1.44 C ATOM 444 NE ARG A 27 -8.798 -12.529 -12.608 1.00 31.33 N ATOM 445 CZ ARG A 27 -8.664 -13.868 -12.590 1.00 22.45 C ATOM 446 NH1 ARG A 27 -7.621 -14.442 -11.981 1.00 25.13 N ATOM 447 NH2 ARG A 27 -9.564 -14.631 -13.190 1.00 24.12 N ATOM 0 H ARG A 27 -7.422 -7.864 -11.283 1.00 3.55 H new ATOM 0 HA ARG A 27 -8.507 -9.353 -13.573 1.00 53.23 H new ATOM 0 HB2 ARG A 27 -9.758 -8.880 -10.825 1.00 34.24 H new ATOM 0 HB3 ARG A 27 -10.304 -10.023 -12.037 1.00 34.24 H new ATOM 0 HG2 ARG A 27 -7.772 -10.175 -10.360 1.00 71.53 H new ATOM 0 HG3 ARG A 27 -9.156 -11.248 -10.301 1.00 71.53 H new ATOM 0 HD2 ARG A 27 -7.374 -10.991 -12.756 1.00 1.44 H new ATOM 0 HD3 ARG A 27 -7.069 -12.148 -11.476 1.00 1.44 H new ATOM 0 HE ARG A 27 -9.609 -12.139 -13.089 1.00 31.33 H new ATOM 0 HH11 ARG A 27 -6.916 -13.864 -11.523 1.00 25.13 H new ATOM 0 HH12 ARG A 27 -7.530 -15.458 -11.974 1.00 25.13 H new ATOM 0 HH21 ARG A 27 -10.359 -14.204 -13.666 1.00 24.12 H new ATOM 0 HH22 ARG A 27 -9.463 -15.646 -13.177 1.00 24.12 H new ATOM 461 N GLY A 28 -9.304 -6.324 -12.940 1.00 32.22 N ATOM 462 CA GLY A 28 -10.101 -5.161 -13.358 1.00 62.44 C ATOM 463 C GLY A 28 -11.172 -4.738 -12.351 1.00 34.02 C ATOM 464 O GLY A 28 -12.041 -3.927 -12.680 1.00 2.11 O ATOM 0 H GLY A 28 -8.448 -6.081 -12.440 1.00 32.22 H new ATOM 0 HA2 GLY A 28 -9.431 -4.320 -13.533 1.00 62.44 H new ATOM 0 HA3 GLY A 28 -10.582 -5.388 -14.309 1.00 62.44 H new ATOM 468 N GLU A 29 -11.115 -5.292 -11.129 1.00 63.11 N ATOM 469 CA GLU A 29 -12.049 -4.957 -10.035 1.00 64.52 C ATOM 470 C GLU A 29 -11.566 -3.690 -9.288 1.00 43.24 C ATOM 471 O GLU A 29 -10.930 -3.777 -8.234 1.00 13.32 O ATOM 472 CB GLU A 29 -12.189 -6.161 -9.055 1.00 44.33 C ATOM 473 CG GLU A 29 -12.464 -7.524 -9.734 1.00 21.01 C ATOM 474 CD GLU A 29 -13.788 -7.560 -10.519 1.00 24.15 C ATOM 475 OE1 GLU A 29 -13.770 -7.365 -11.755 1.00 12.34 O ATOM 476 OE2 GLU A 29 -14.856 -7.762 -9.900 1.00 43.44 O ATOM 0 H GLU A 29 -10.417 -5.989 -10.868 1.00 63.11 H new ATOM 0 HA GLU A 29 -13.031 -4.749 -10.461 1.00 64.52 H new ATOM 0 HB2 GLU A 29 -11.274 -6.242 -8.468 1.00 44.33 H new ATOM 0 HB3 GLU A 29 -12.998 -5.950 -8.356 1.00 44.33 H new ATOM 0 HG2 GLU A 29 -11.642 -7.756 -10.411 1.00 21.01 H new ATOM 0 HG3 GLU A 29 -12.480 -8.304 -8.973 1.00 21.01 H new ATOM 483 N TRP A 30 -11.856 -2.517 -9.871 1.00 43.34 N ATOM 484 CA TRP A 30 -11.430 -1.196 -9.329 1.00 70.04 C ATOM 485 C TRP A 30 -12.306 -0.763 -8.139 1.00 24.44 C ATOM 486 O TRP A 30 -11.917 0.101 -7.355 1.00 31.21 O ATOM 487 CB TRP A 30 -11.490 -0.108 -10.444 1.00 72.11 C ATOM 488 CG TRP A 30 -10.940 -0.569 -11.771 1.00 73.15 C ATOM 489 CD1 TRP A 30 -11.638 -0.728 -12.935 1.00 5.32 C ATOM 490 CD2 TRP A 30 -9.592 -0.963 -12.057 1.00 53.32 C ATOM 491 NE1 TRP A 30 -10.812 -1.199 -13.917 1.00 51.45 N ATOM 492 CE2 TRP A 30 -9.555 -1.348 -13.406 1.00 71.40 C ATOM 493 CE3 TRP A 30 -8.415 -1.028 -11.302 1.00 41.33 C ATOM 494 CZ2 TRP A 30 -8.397 -1.795 -14.014 1.00 22.10 C ATOM 495 CZ3 TRP A 30 -7.262 -1.462 -11.913 1.00 65.40 C ATOM 496 CH2 TRP A 30 -7.263 -1.843 -13.257 1.00 55.32 C ATOM 0 H TRP A 30 -12.394 -2.446 -10.735 1.00 43.34 H new ATOM 0 HA TRP A 30 -10.404 -1.302 -8.977 1.00 70.04 H new ATOM 0 HB2 TRP A 30 -12.525 0.205 -10.579 1.00 72.11 H new ATOM 0 HB3 TRP A 30 -10.932 0.769 -10.114 1.00 72.11 H new ATOM 0 HD1 TRP A 30 -12.689 -0.513 -13.061 1.00 5.32 H new ATOM 0 HE1 TRP A 30 -11.090 -1.406 -14.876 1.00 51.45 H new ATOM 0 HE3 TRP A 30 -8.412 -0.743 -10.260 1.00 41.33 H new ATOM 0 HZ2 TRP A 30 -8.390 -2.096 -15.051 1.00 22.10 H new ATOM 0 HZ3 TRP A 30 -6.344 -1.509 -11.346 1.00 65.40 H new ATOM 0 HH2 TRP A 30 -6.343 -2.184 -13.708 1.00 55.32 H new ATOM 507 N ASP A 31 -13.490 -1.381 -8.046 1.00 50.43 N ATOM 508 CA ASP A 31 -14.515 -1.102 -7.027 1.00 62.14 C ATOM 509 C ASP A 31 -13.973 -1.334 -5.602 1.00 44.34 C ATOM 510 O ASP A 31 -14.068 -0.458 -4.723 1.00 72.32 O ATOM 511 CB ASP A 31 -15.748 -2.009 -7.306 1.00 52.30 C ATOM 512 CG ASP A 31 -16.905 -1.793 -6.319 1.00 65.45 C ATOM 513 OD1 ASP A 31 -17.612 -0.776 -6.440 1.00 11.52 O ATOM 514 OD2 ASP A 31 -17.118 -2.649 -5.435 1.00 41.12 O ATOM 0 H ASP A 31 -13.772 -2.113 -8.698 1.00 50.43 H new ATOM 0 HA ASP A 31 -14.805 -0.053 -7.087 1.00 62.14 H new ATOM 0 HB2 ASP A 31 -16.105 -1.821 -8.319 1.00 52.30 H new ATOM 0 HB3 ASP A 31 -15.437 -3.053 -7.266 1.00 52.30 H new ATOM 519 N LEU A 32 -13.372 -2.520 -5.404 1.00 0.41 N ATOM 520 CA LEU A 32 -12.783 -2.906 -4.120 1.00 13.41 C ATOM 521 C LEU A 32 -11.458 -2.165 -3.868 1.00 74.13 C ATOM 522 O LEU A 32 -11.013 -2.103 -2.728 1.00 42.42 O ATOM 523 CB LEU A 32 -12.584 -4.440 -4.050 1.00 45.30 C ATOM 524 CG LEU A 32 -13.884 -5.305 -4.045 1.00 1.31 C ATOM 525 CD1 LEU A 32 -13.553 -6.813 -4.041 1.00 54.21 C ATOM 526 CD2 LEU A 32 -14.798 -4.930 -2.862 1.00 71.35 C ATOM 0 H LEU A 32 -13.284 -3.232 -6.129 1.00 0.41 H new ATOM 0 HA LEU A 32 -13.477 -2.616 -3.331 1.00 13.41 H new ATOM 0 HB2 LEU A 32 -11.973 -4.745 -4.899 1.00 45.30 H new ATOM 0 HB3 LEU A 32 -12.016 -4.671 -3.149 1.00 45.30 H new ATOM 0 HG LEU A 32 -14.428 -5.090 -4.965 1.00 1.31 H new ATOM 0 HD11 LEU A 32 -14.479 -7.389 -4.038 1.00 54.21 H new ATOM 0 HD12 LEU A 32 -12.975 -7.061 -4.931 1.00 54.21 H new ATOM 0 HD13 LEU A 32 -12.972 -7.056 -3.151 1.00 54.21 H new ATOM 0 HD21 LEU A 32 -15.695 -5.549 -2.885 1.00 71.35 H new ATOM 0 HD22 LEU A 32 -14.267 -5.096 -1.925 1.00 71.35 H new ATOM 0 HD23 LEU A 32 -15.080 -3.880 -2.938 1.00 71.35 H new ATOM 538 N LEU A 33 -10.823 -1.617 -4.931 1.00 40.45 N ATOM 539 CA LEU A 33 -9.674 -0.696 -4.766 1.00 42.44 C ATOM 540 C LEU A 33 -10.154 0.599 -4.103 1.00 23.43 C ATOM 541 O LEU A 33 -9.582 1.025 -3.112 1.00 23.11 O ATOM 542 CB LEU A 33 -8.929 -0.395 -6.113 1.00 72.34 C ATOM 543 CG LEU A 33 -7.753 -1.360 -6.468 1.00 44.04 C ATOM 544 CD1 LEU A 33 -8.231 -2.804 -6.618 1.00 75.52 C ATOM 545 CD2 LEU A 33 -6.993 -0.884 -7.722 1.00 50.43 C ATOM 0 H LEU A 33 -11.083 -1.794 -5.901 1.00 40.45 H new ATOM 0 HA LEU A 33 -8.943 -1.191 -4.126 1.00 42.44 H new ATOM 0 HB2 LEU A 33 -9.657 -0.425 -6.924 1.00 72.34 H new ATOM 0 HB3 LEU A 33 -8.540 0.622 -6.072 1.00 72.34 H new ATOM 0 HG LEU A 33 -7.054 -1.338 -5.632 1.00 44.04 H new ATOM 0 HD11 LEU A 33 -7.384 -3.444 -6.865 1.00 75.52 H new ATOM 0 HD12 LEU A 33 -8.678 -3.139 -5.682 1.00 75.52 H new ATOM 0 HD13 LEU A 33 -8.973 -2.861 -7.415 1.00 75.52 H new ATOM 0 HD21 LEU A 33 -6.181 -1.578 -7.941 1.00 50.43 H new ATOM 0 HD22 LEU A 33 -7.677 -0.847 -8.570 1.00 50.43 H new ATOM 0 HD23 LEU A 33 -6.582 0.110 -7.543 1.00 50.43 H new ATOM 557 N LEU A 34 -11.245 1.171 -4.649 1.00 45.13 N ATOM 558 CA LEU A 34 -11.844 2.422 -4.145 1.00 34.33 C ATOM 559 C LEU A 34 -12.372 2.261 -2.705 1.00 43.23 C ATOM 560 O LEU A 34 -12.306 3.200 -1.916 1.00 10.14 O ATOM 561 CB LEU A 34 -12.992 2.890 -5.086 1.00 53.25 C ATOM 562 CG LEU A 34 -12.581 3.227 -6.556 1.00 24.52 C ATOM 563 CD1 LEU A 34 -13.812 3.595 -7.412 1.00 40.43 C ATOM 564 CD2 LEU A 34 -11.509 4.339 -6.603 1.00 42.52 C ATOM 0 H LEU A 34 -11.736 0.778 -5.452 1.00 45.13 H new ATOM 0 HA LEU A 34 -11.060 3.179 -4.131 1.00 34.33 H new ATOM 0 HB2 LEU A 34 -13.753 2.110 -5.113 1.00 53.25 H new ATOM 0 HB3 LEU A 34 -13.456 3.774 -4.648 1.00 53.25 H new ATOM 0 HG LEU A 34 -12.138 2.329 -6.986 1.00 24.52 H new ATOM 0 HD11 LEU A 34 -13.493 3.824 -8.429 1.00 40.43 H new ATOM 0 HD12 LEU A 34 -14.507 2.755 -7.430 1.00 40.43 H new ATOM 0 HD13 LEU A 34 -14.307 4.466 -6.982 1.00 40.43 H new ATOM 0 HD21 LEU A 34 -11.247 4.548 -7.640 1.00 42.52 H new ATOM 0 HD22 LEU A 34 -11.902 5.243 -6.139 1.00 42.52 H new ATOM 0 HD23 LEU A 34 -10.621 4.011 -6.063 1.00 42.52 H new ATOM 576 N GLN A 35 -12.889 1.062 -2.382 1.00 14.22 N ATOM 577 CA GLN A 35 -13.439 0.753 -1.045 1.00 70.10 C ATOM 578 C GLN A 35 -12.304 0.575 -0.006 1.00 41.22 C ATOM 579 O GLN A 35 -12.256 1.270 1.015 1.00 22.43 O ATOM 580 CB GLN A 35 -14.321 -0.524 -1.128 1.00 54.02 C ATOM 581 CG GLN A 35 -14.905 -1.008 0.225 1.00 44.41 C ATOM 582 CD GLN A 35 -15.798 0.024 0.935 1.00 35.13 C ATOM 583 OE1 GLN A 35 -16.470 0.838 0.304 1.00 4.12 O ATOM 584 NE2 GLN A 35 -15.809 0.002 2.255 1.00 45.10 N ATOM 0 H GLN A 35 -12.938 0.281 -3.036 1.00 14.22 H new ATOM 0 HA GLN A 35 -14.056 1.589 -0.715 1.00 70.10 H new ATOM 0 HB2 GLN A 35 -15.146 -0.333 -1.815 1.00 54.02 H new ATOM 0 HB3 GLN A 35 -13.727 -1.330 -1.559 1.00 54.02 H new ATOM 0 HG2 GLN A 35 -15.484 -1.915 0.053 1.00 44.41 H new ATOM 0 HG3 GLN A 35 -14.082 -1.276 0.888 1.00 44.41 H new ATOM 0 HE21 GLN A 35 -15.244 -0.682 2.758 1.00 45.10 H new ATOM 0 HE22 GLN A 35 -16.383 0.669 2.771 1.00 45.10 H new ATOM 593 N GLN A 36 -11.388 -0.349 -0.309 1.00 32.20 N ATOM 594 CA GLN A 36 -10.268 -0.735 0.575 1.00 43.03 C ATOM 595 C GLN A 36 -9.123 0.298 0.552 1.00 11.22 C ATOM 596 O GLN A 36 -8.154 0.150 1.294 1.00 10.22 O ATOM 597 CB GLN A 36 -9.778 -2.153 0.200 1.00 42.41 C ATOM 598 CG GLN A 36 -10.823 -3.267 0.480 1.00 50.12 C ATOM 599 CD GLN A 36 -10.507 -4.607 -0.190 1.00 13.12 C ATOM 600 OE1 GLN A 36 -10.782 -5.675 0.361 1.00 44.15 O ATOM 601 NE2 GLN A 36 -10.013 -4.566 -1.424 1.00 23.11 N ATOM 0 H GLN A 36 -11.398 -0.863 -1.190 1.00 32.20 H new ATOM 0 HA GLN A 36 -10.630 -0.752 1.603 1.00 43.03 H new ATOM 0 HB2 GLN A 36 -9.516 -2.170 -0.858 1.00 42.41 H new ATOM 0 HB3 GLN A 36 -8.867 -2.373 0.757 1.00 42.41 H new ATOM 0 HG2 GLN A 36 -10.895 -3.420 1.557 1.00 50.12 H new ATOM 0 HG3 GLN A 36 -11.801 -2.926 0.141 1.00 50.12 H new ATOM 0 HE21 GLN A 36 -9.794 -3.668 -1.856 1.00 23.11 H new ATOM 0 HE22 GLN A 36 -9.853 -5.432 -1.938 1.00 23.11 H new ATOM 610 N GLU A 37 -9.216 1.279 -0.367 1.00 11.13 N ATOM 611 CA GLU A 37 -8.309 2.446 -0.456 1.00 31.51 C ATOM 612 C GLU A 37 -8.015 3.064 0.924 1.00 14.33 C ATOM 613 O GLU A 37 -6.862 3.063 1.371 1.00 71.03 O ATOM 614 CB GLU A 37 -8.960 3.510 -1.380 1.00 64.52 C ATOM 615 CG GLU A 37 -8.281 4.890 -1.397 1.00 3.43 C ATOM 616 CD GLU A 37 -9.032 5.889 -2.276 1.00 40.02 C ATOM 617 OE1 GLU A 37 -10.005 6.509 -1.785 1.00 14.34 O ATOM 618 OE2 GLU A 37 -8.660 6.054 -3.458 1.00 12.12 O ATOM 0 H GLU A 37 -9.940 1.284 -1.086 1.00 11.13 H new ATOM 0 HA GLU A 37 -7.357 2.108 -0.864 1.00 31.51 H new ATOM 0 HB2 GLU A 37 -8.973 3.120 -2.398 1.00 64.52 H new ATOM 0 HB3 GLU A 37 -9.998 3.641 -1.076 1.00 64.52 H new ATOM 0 HG2 GLU A 37 -8.221 5.277 -0.380 1.00 3.43 H new ATOM 0 HG3 GLU A 37 -7.258 4.786 -1.759 1.00 3.43 H new ATOM 625 N VAL A 38 -9.083 3.542 1.596 1.00 12.11 N ATOM 626 CA VAL A 38 -8.989 4.212 2.900 1.00 55.24 C ATOM 627 C VAL A 38 -8.411 3.259 3.970 1.00 61.21 C ATOM 628 O VAL A 38 -7.659 3.693 4.841 1.00 32.22 O ATOM 629 CB VAL A 38 -10.392 4.783 3.342 1.00 44.22 C ATOM 630 CG1 VAL A 38 -11.436 3.661 3.549 1.00 41.22 C ATOM 631 CG2 VAL A 38 -10.263 5.685 4.590 1.00 25.03 C ATOM 0 H VAL A 38 -10.037 3.471 1.243 1.00 12.11 H new ATOM 0 HA VAL A 38 -8.304 5.054 2.799 1.00 55.24 H new ATOM 0 HB VAL A 38 -10.759 5.405 2.526 1.00 44.22 H new ATOM 0 HG11 VAL A 38 -12.386 4.100 3.853 1.00 41.22 H new ATOM 0 HG12 VAL A 38 -11.571 3.113 2.617 1.00 41.22 H new ATOM 0 HG13 VAL A 38 -11.088 2.978 4.324 1.00 41.22 H new ATOM 0 HG21 VAL A 38 -11.247 6.063 4.869 1.00 25.03 H new ATOM 0 HG22 VAL A 38 -9.849 5.107 5.416 1.00 25.03 H new ATOM 0 HG23 VAL A 38 -9.603 6.523 4.367 1.00 25.03 H new ATOM 641 N SER A 39 -8.729 1.951 3.841 1.00 15.23 N ATOM 642 CA SER A 39 -8.229 0.895 4.739 1.00 61.44 C ATOM 643 C SER A 39 -6.700 0.758 4.627 1.00 4.13 C ATOM 644 O SER A 39 -5.986 0.727 5.633 1.00 70.21 O ATOM 645 CB SER A 39 -8.897 -0.458 4.389 1.00 35.02 C ATOM 646 OG SER A 39 -10.306 -0.325 4.318 1.00 75.53 O ATOM 0 H SER A 39 -9.343 1.601 3.106 1.00 15.23 H new ATOM 0 HA SER A 39 -8.480 1.172 5.763 1.00 61.44 H new ATOM 0 HB2 SER A 39 -8.514 -0.821 3.435 1.00 35.02 H new ATOM 0 HB3 SER A 39 -8.636 -1.202 5.141 1.00 35.02 H new ATOM 0 HG SER A 39 -10.705 -1.191 4.094 1.00 75.53 H new ATOM 652 N TYR A 40 -6.227 0.725 3.370 1.00 45.24 N ATOM 653 CA TYR A 40 -4.821 0.484 3.026 1.00 72.22 C ATOM 654 C TYR A 40 -3.950 1.669 3.458 1.00 32.42 C ATOM 655 O TYR A 40 -2.922 1.473 4.110 1.00 61.03 O ATOM 656 CB TYR A 40 -4.692 0.232 1.502 1.00 40.33 C ATOM 657 CG TYR A 40 -3.271 -0.088 1.014 1.00 34.35 C ATOM 658 CD1 TYR A 40 -2.630 0.702 0.058 1.00 11.14 C ATOM 659 CD2 TYR A 40 -2.580 -1.203 1.490 1.00 30.24 C ATOM 660 CE1 TYR A 40 -1.365 0.394 -0.398 1.00 15.54 C ATOM 661 CE2 TYR A 40 -1.315 -1.501 1.040 1.00 60.20 C ATOM 662 CZ TYR A 40 -0.712 -0.707 0.092 1.00 13.43 C ATOM 663 OH TYR A 40 0.551 -1.014 -0.365 1.00 11.02 O ATOM 0 H TYR A 40 -6.822 0.868 2.554 1.00 45.24 H new ATOM 0 HA TYR A 40 -4.471 -0.400 3.559 1.00 72.22 H new ATOM 0 HB2 TYR A 40 -5.348 -0.594 1.229 1.00 40.33 H new ATOM 0 HB3 TYR A 40 -5.052 1.114 0.972 1.00 40.33 H new ATOM 0 HD1 TYR A 40 -3.135 1.573 -0.333 1.00 11.14 H new ATOM 0 HD2 TYR A 40 -3.047 -1.843 2.224 1.00 30.24 H new ATOM 0 HE1 TYR A 40 -0.890 1.019 -1.140 1.00 15.54 H new ATOM 0 HE2 TYR A 40 -0.793 -2.361 1.432 1.00 60.20 H new ATOM 0 HH TYR A 40 0.986 -1.627 0.263 1.00 11.02 H new ATOM 673 N LEU A 41 -4.400 2.890 3.103 1.00 11.44 N ATOM 674 CA LEU A 41 -3.675 4.136 3.406 1.00 12.44 C ATOM 675 C LEU A 41 -3.644 4.389 4.931 1.00 44.21 C ATOM 676 O LEU A 41 -2.616 4.823 5.466 1.00 25.55 O ATOM 677 CB LEU A 41 -4.319 5.332 2.641 1.00 13.42 C ATOM 678 CG LEU A 41 -4.399 5.184 1.085 1.00 33.35 C ATOM 679 CD1 LEU A 41 -5.078 6.413 0.440 1.00 52.32 C ATOM 680 CD2 LEU A 41 -3.006 4.912 0.472 1.00 24.44 C ATOM 0 H LEU A 41 -5.275 3.037 2.599 1.00 11.44 H new ATOM 0 HA LEU A 41 -2.643 4.037 3.068 1.00 12.44 H new ATOM 0 HB2 LEU A 41 -5.328 5.483 3.025 1.00 13.42 H new ATOM 0 HB3 LEU A 41 -3.752 6.234 2.872 1.00 13.42 H new ATOM 0 HG LEU A 41 -5.022 4.317 0.866 1.00 33.35 H new ATOM 0 HD11 LEU A 41 -5.119 6.281 -0.641 1.00 52.32 H new ATOM 0 HD12 LEU A 41 -6.090 6.517 0.831 1.00 52.32 H new ATOM 0 HD13 LEU A 41 -4.505 7.310 0.674 1.00 52.32 H new ATOM 0 HD21 LEU A 41 -3.097 4.814 -0.610 1.00 24.44 H new ATOM 0 HD22 LEU A 41 -2.337 5.740 0.707 1.00 24.44 H new ATOM 0 HD23 LEU A 41 -2.600 3.989 0.887 1.00 24.44 H new ATOM 692 N GLN A 42 -4.770 4.067 5.619 1.00 54.31 N ATOM 693 CA GLN A 42 -4.867 4.140 7.092 1.00 62.34 C ATOM 694 C GLN A 42 -3.814 3.234 7.750 1.00 40.24 C ATOM 695 O GLN A 42 -3.055 3.686 8.610 1.00 73.13 O ATOM 696 CB GLN A 42 -6.277 3.707 7.570 1.00 52.35 C ATOM 697 CG GLN A 42 -6.497 3.773 9.098 1.00 62.24 C ATOM 698 CD GLN A 42 -7.785 3.085 9.559 1.00 21.32 C ATOM 699 OE1 GLN A 42 -8.240 2.111 8.953 1.00 2.10 O ATOM 700 NE2 GLN A 42 -8.379 3.574 10.633 1.00 71.01 N ATOM 0 H GLN A 42 -5.629 3.752 5.167 1.00 54.31 H new ATOM 0 HA GLN A 42 -4.688 5.174 7.385 1.00 62.34 H new ATOM 0 HB2 GLN A 42 -7.019 4.340 7.083 1.00 52.35 H new ATOM 0 HB3 GLN A 42 -6.460 2.686 7.235 1.00 52.35 H new ATOM 0 HG2 GLN A 42 -5.647 3.310 9.600 1.00 62.24 H new ATOM 0 HG3 GLN A 42 -6.521 4.817 9.409 1.00 62.24 H new ATOM 0 HE21 GLN A 42 -7.980 4.380 11.114 1.00 71.01 H new ATOM 0 HE22 GLN A 42 -9.236 3.145 10.981 1.00 71.01 H new ATOM 709 N SER A 43 -3.785 1.952 7.315 1.00 31.15 N ATOM 710 CA SER A 43 -2.862 0.930 7.842 1.00 14.22 C ATOM 711 C SER A 43 -1.384 1.348 7.644 1.00 60.31 C ATOM 712 O SER A 43 -0.548 1.167 8.545 1.00 52.10 O ATOM 713 CB SER A 43 -3.148 -0.431 7.176 1.00 10.23 C ATOM 714 OG SER A 43 -4.483 -0.847 7.417 1.00 73.33 O ATOM 0 H SER A 43 -4.405 1.601 6.586 1.00 31.15 H new ATOM 0 HA SER A 43 -3.029 0.836 8.915 1.00 14.22 H new ATOM 0 HB2 SER A 43 -2.975 -0.358 6.102 1.00 10.23 H new ATOM 0 HB3 SER A 43 -2.455 -1.180 7.560 1.00 10.23 H new ATOM 0 HG SER A 43 -5.092 -0.346 6.835 1.00 73.33 H new ATOM 720 N ILE A 44 -1.101 1.917 6.457 1.00 33.34 N ATOM 721 CA ILE A 44 0.211 2.490 6.088 1.00 11.43 C ATOM 722 C ILE A 44 0.668 3.543 7.120 1.00 43.55 C ATOM 723 O ILE A 44 1.744 3.418 7.747 1.00 31.14 O ATOM 724 CB ILE A 44 0.120 3.121 4.628 1.00 60.31 C ATOM 725 CG1 ILE A 44 0.234 2.000 3.544 1.00 53.43 C ATOM 726 CG2 ILE A 44 1.133 4.274 4.385 1.00 43.52 C ATOM 727 CD1 ILE A 44 0.064 2.473 2.107 1.00 24.04 C ATOM 0 H ILE A 44 -1.792 1.994 5.710 1.00 33.34 H new ATOM 0 HA ILE A 44 0.957 1.695 6.086 1.00 11.43 H new ATOM 0 HB ILE A 44 -0.862 3.587 4.544 1.00 60.31 H new ATOM 0 HG12 ILE A 44 1.208 1.521 3.640 1.00 53.43 H new ATOM 0 HG13 ILE A 44 -0.517 1.238 3.751 1.00 53.43 H new ATOM 0 HG21 ILE A 44 1.014 4.655 3.371 1.00 43.52 H new ATOM 0 HG22 ILE A 44 0.948 5.077 5.099 1.00 43.52 H new ATOM 0 HG23 ILE A 44 2.148 3.900 4.515 1.00 43.52 H new ATOM 0 HD11 ILE A 44 0.160 1.624 1.431 1.00 24.04 H new ATOM 0 HD12 ILE A 44 -0.921 2.924 1.986 1.00 24.04 H new ATOM 0 HD13 ILE A 44 0.832 3.211 1.874 1.00 24.04 H new ATOM 739 N GLU A 45 -0.189 4.549 7.317 1.00 32.41 N ATOM 740 CA GLU A 45 0.121 5.694 8.176 1.00 73.14 C ATOM 741 C GLU A 45 0.293 5.251 9.636 1.00 53.05 C ATOM 742 O GLU A 45 1.277 5.620 10.277 1.00 31.51 O ATOM 743 CB GLU A 45 -0.979 6.771 8.033 1.00 51.40 C ATOM 744 CG GLU A 45 -1.062 7.384 6.617 1.00 3.35 C ATOM 745 CD GLU A 45 -2.193 8.404 6.468 1.00 60.24 C ATOM 746 OE1 GLU A 45 -3.366 7.984 6.403 1.00 43.45 O ATOM 747 OE2 GLU A 45 -1.915 9.628 6.416 1.00 22.04 O ATOM 0 H GLU A 45 -1.113 4.592 6.887 1.00 32.41 H new ATOM 0 HA GLU A 45 1.068 6.130 7.859 1.00 73.14 H new ATOM 0 HB2 GLU A 45 -1.943 6.330 8.286 1.00 51.40 H new ATOM 0 HB3 GLU A 45 -0.793 7.567 8.754 1.00 51.40 H new ATOM 0 HG2 GLU A 45 -0.113 7.866 6.380 1.00 3.35 H new ATOM 0 HG3 GLU A 45 -1.204 6.585 5.890 1.00 3.35 H new ATOM 754 N THR A 46 -0.622 4.380 10.114 1.00 1.33 N ATOM 755 CA THR A 46 -0.668 3.979 11.530 1.00 71.04 C ATOM 756 C THR A 46 0.501 3.040 11.903 1.00 22.54 C ATOM 757 O THR A 46 0.969 3.066 13.046 1.00 32.32 O ATOM 758 CB THR A 46 -2.050 3.343 11.923 1.00 52.33 C ATOM 759 OG1 THR A 46 -2.152 3.226 13.352 1.00 2.55 O ATOM 760 CG2 THR A 46 -2.276 1.960 11.294 1.00 12.34 C ATOM 0 H THR A 46 -1.339 3.942 9.535 1.00 1.33 H new ATOM 0 HA THR A 46 -0.555 4.894 12.111 1.00 71.04 H new ATOM 0 HB THR A 46 -2.818 4.013 11.535 1.00 52.33 H new ATOM 0 HG1 THR A 46 -3.017 2.830 13.587 1.00 2.55 H new ATOM 0 HG21 THR A 46 -3.247 1.574 11.603 1.00 12.34 H new ATOM 0 HG22 THR A 46 -2.249 2.045 10.208 1.00 12.34 H new ATOM 0 HG23 THR A 46 -1.493 1.278 11.624 1.00 12.34 H new ATOM 768 N VAL A 47 0.988 2.217 10.940 1.00 54.42 N ATOM 769 CA VAL A 47 2.178 1.372 11.182 1.00 60.40 C ATOM 770 C VAL A 47 3.443 2.250 11.183 1.00 43.54 C ATOM 771 O VAL A 47 4.400 1.976 11.915 1.00 71.15 O ATOM 772 CB VAL A 47 2.348 0.203 10.138 1.00 13.22 C ATOM 773 CG1 VAL A 47 2.860 0.700 8.768 1.00 10.05 C ATOM 774 CG2 VAL A 47 3.266 -0.904 10.691 1.00 73.44 C ATOM 0 H VAL A 47 0.583 2.123 10.009 1.00 54.42 H new ATOM 0 HA VAL A 47 2.031 0.901 12.154 1.00 60.40 H new ATOM 0 HB VAL A 47 1.355 -0.215 9.975 1.00 13.22 H new ATOM 0 HG11 VAL A 47 2.959 -0.146 8.088 1.00 10.05 H new ATOM 0 HG12 VAL A 47 2.152 1.418 8.354 1.00 10.05 H new ATOM 0 HG13 VAL A 47 3.831 1.179 8.894 1.00 10.05 H new ATOM 0 HG21 VAL A 47 3.366 -1.698 9.950 1.00 73.44 H new ATOM 0 HG22 VAL A 47 4.249 -0.486 10.910 1.00 73.44 H new ATOM 0 HG23 VAL A 47 2.834 -1.312 11.605 1.00 73.44 H new ATOM 784 N MET A 48 3.429 3.313 10.342 1.00 10.42 N ATOM 785 CA MET A 48 4.553 4.254 10.246 1.00 44.52 C ATOM 786 C MET A 48 4.621 5.151 11.504 1.00 3.42 C ATOM 787 O MET A 48 5.696 5.656 11.846 1.00 51.10 O ATOM 788 CB MET A 48 4.452 5.080 8.935 1.00 70.13 C ATOM 789 CG MET A 48 5.741 5.815 8.543 1.00 13.24 C ATOM 790 SD MET A 48 5.632 6.623 6.928 1.00 41.13 S ATOM 791 CE MET A 48 5.362 5.243 5.810 1.00 3.23 C ATOM 0 H MET A 48 2.648 3.533 9.724 1.00 10.42 H new ATOM 0 HA MET A 48 5.487 3.694 10.205 1.00 44.52 H new ATOM 0 HB2 MET A 48 4.168 4.413 8.121 1.00 70.13 H new ATOM 0 HB3 MET A 48 3.651 5.811 9.042 1.00 70.13 H new ATOM 0 HG2 MET A 48 5.971 6.563 9.302 1.00 13.24 H new ATOM 0 HG3 MET A 48 6.568 5.105 8.533 1.00 13.24 H new ATOM 0 HE1 MET A 48 5.628 5.539 4.795 1.00 3.23 H new ATOM 0 HE2 MET A 48 5.982 4.400 6.116 1.00 3.23 H new ATOM 0 HE3 MET A 48 4.312 4.951 5.839 1.00 3.23 H new ATOM 801 N GLU A 49 3.465 5.315 12.204 1.00 14.44 N ATOM 802 CA GLU A 49 3.413 5.980 13.528 1.00 61.12 C ATOM 803 C GLU A 49 4.101 5.118 14.609 1.00 41.32 C ATOM 804 O GLU A 49 4.547 5.643 15.637 1.00 13.42 O ATOM 805 CB GLU A 49 1.950 6.287 13.959 1.00 4.14 C ATOM 806 CG GLU A 49 1.141 7.173 12.989 1.00 44.51 C ATOM 807 CD GLU A 49 1.778 8.543 12.700 1.00 2.15 C ATOM 808 OE1 GLU A 49 2.597 8.657 11.757 1.00 24.51 O ATOM 809 OE2 GLU A 49 1.440 9.523 13.396 1.00 63.23 O ATOM 0 H GLU A 49 2.557 4.993 11.869 1.00 14.44 H new ATOM 0 HA GLU A 49 3.949 6.924 13.430 1.00 61.12 H new ATOM 0 HB2 GLU A 49 1.422 5.342 14.086 1.00 4.14 H new ATOM 0 HB3 GLU A 49 1.972 6.773 14.934 1.00 4.14 H new ATOM 0 HG2 GLU A 49 1.015 6.639 12.047 1.00 44.51 H new ATOM 0 HG3 GLU A 49 0.145 7.329 13.403 1.00 44.51 H new ATOM 923 N THR A 57 14.635 -6.178 17.176 1.00 71.04 N ATOM 924 CA THR A 57 14.976 -7.589 17.435 1.00 63.01 C ATOM 925 C THR A 57 14.789 -8.444 16.167 1.00 23.22 C ATOM 926 O THR A 57 14.045 -8.054 15.247 1.00 45.43 O ATOM 927 CB THR A 57 14.115 -8.150 18.608 1.00 40.35 C ATOM 928 OG1 THR A 57 12.734 -8.086 18.246 1.00 63.30 O ATOM 929 CG2 THR A 57 14.334 -7.355 19.910 1.00 1.41 C ATOM 0 HA THR A 57 16.027 -7.638 17.721 1.00 63.01 H new ATOM 0 HB THR A 57 14.420 -9.181 18.788 1.00 40.35 H new ATOM 0 HG1 THR A 57 12.182 -8.127 19.054 1.00 63.30 H new ATOM 0 HG21 THR A 57 13.716 -7.777 20.703 1.00 1.41 H new ATOM 0 HG22 THR A 57 15.384 -7.412 20.199 1.00 1.41 H new ATOM 0 HG23 THR A 57 14.057 -6.313 19.751 1.00 1.41 H new ATOM 937 N ARG A 58 15.473 -9.616 16.162 1.00 51.02 N ATOM 938 CA ARG A 58 15.586 -10.522 15.001 1.00 23.01 C ATOM 939 C ARG A 58 14.223 -10.881 14.387 1.00 30.22 C ATOM 940 O ARG A 58 13.903 -10.418 13.288 1.00 3.22 O ATOM 941 CB ARG A 58 16.359 -11.823 15.397 1.00 0.13 C ATOM 942 CG ARG A 58 17.871 -11.627 15.657 1.00 54.31 C ATOM 943 CD ARG A 58 18.636 -11.192 14.393 1.00 51.13 C ATOM 944 NE ARG A 58 18.519 -12.186 13.302 1.00 63.33 N ATOM 945 CZ ARG A 58 17.846 -12.001 12.150 1.00 62.31 C ATOM 946 NH1 ARG A 58 17.216 -10.858 11.898 1.00 21.12 N ATOM 947 NH2 ARG A 58 17.794 -12.977 11.257 1.00 72.32 N ATOM 0 H ARG A 58 15.970 -9.960 16.984 1.00 51.02 H new ATOM 0 HA ARG A 58 16.146 -9.983 14.237 1.00 23.01 H new ATOM 0 HB2 ARG A 58 15.902 -12.241 16.294 1.00 0.13 H new ATOM 0 HB3 ARG A 58 16.234 -12.559 14.603 1.00 0.13 H new ATOM 0 HG2 ARG A 58 18.008 -10.878 16.436 1.00 54.31 H new ATOM 0 HG3 ARG A 58 18.295 -12.558 16.032 1.00 54.31 H new ATOM 0 HD2 ARG A 58 18.252 -10.231 14.050 1.00 51.13 H new ATOM 0 HD3 ARG A 58 19.688 -11.046 14.639 1.00 51.13 H new ATOM 0 HE ARG A 58 18.986 -13.083 13.433 1.00 63.33 H new ATOM 0 HH11 ARG A 58 17.237 -10.102 12.583 1.00 21.12 H new ATOM 0 HH12 ARG A 58 16.712 -10.737 11.020 1.00 21.12 H new ATOM 0 HH21 ARG A 58 18.262 -13.864 11.443 1.00 72.32 H new ATOM 0 HH22 ARG A 58 17.286 -12.842 10.383 1.00 72.32 H new ATOM 961 N SER A 59 13.425 -11.663 15.146 1.00 63.25 N ATOM 962 CA SER A 59 12.160 -12.254 14.673 1.00 13.22 C ATOM 963 C SER A 59 11.177 -11.194 14.140 1.00 4.44 C ATOM 964 O SER A 59 10.588 -11.374 13.053 1.00 34.42 O ATOM 965 CB SER A 59 11.518 -13.083 15.809 1.00 25.41 C ATOM 966 OG SER A 59 12.410 -14.094 16.256 1.00 22.43 O ATOM 0 H SER A 59 13.645 -11.902 16.113 1.00 63.25 H new ATOM 0 HA SER A 59 12.391 -12.908 13.833 1.00 13.22 H new ATOM 0 HB2 SER A 59 11.255 -12.429 16.640 1.00 25.41 H new ATOM 0 HB3 SER A 59 10.592 -13.537 15.456 1.00 25.41 H new ATOM 0 HG SER A 59 11.988 -14.608 16.976 1.00 22.43 H new ATOM 972 N ILE A 60 11.046 -10.081 14.901 1.00 11.32 N ATOM 973 CA ILE A 60 10.177 -8.956 14.528 1.00 41.12 C ATOM 974 C ILE A 60 10.607 -8.396 13.170 1.00 10.14 C ATOM 975 O ILE A 60 9.796 -8.346 12.248 1.00 14.05 O ATOM 976 CB ILE A 60 10.178 -7.793 15.594 1.00 44.10 C ATOM 977 CG1 ILE A 60 9.717 -8.323 16.986 1.00 13.03 C ATOM 978 CG2 ILE A 60 9.293 -6.597 15.130 1.00 34.11 C ATOM 979 CD1 ILE A 60 9.707 -7.268 18.082 1.00 72.25 C ATOM 0 H ILE A 60 11.539 -9.945 15.783 1.00 11.32 H new ATOM 0 HA ILE A 60 9.161 -9.349 14.479 1.00 41.12 H new ATOM 0 HB ILE A 60 11.200 -7.427 15.689 1.00 44.10 H new ATOM 0 HG12 ILE A 60 8.715 -8.740 16.890 1.00 13.03 H new ATOM 0 HG13 ILE A 60 10.374 -9.138 17.288 1.00 13.03 H new ATOM 0 HG21 ILE A 60 9.315 -5.813 15.887 1.00 34.11 H new ATOM 0 HG22 ILE A 60 9.677 -6.204 14.189 1.00 34.11 H new ATOM 0 HG23 ILE A 60 8.267 -6.937 14.990 1.00 34.11 H new ATOM 0 HD11 ILE A 60 9.375 -7.718 19.017 1.00 72.25 H new ATOM 0 HD12 ILE A 60 10.712 -6.866 18.210 1.00 72.25 H new ATOM 0 HD13 ILE A 60 9.027 -6.462 17.805 1.00 72.25 H new ATOM 991 N GLN A 61 11.911 -8.048 13.048 1.00 42.45 N ATOM 992 CA GLN A 61 12.447 -7.422 11.832 1.00 4.21 C ATOM 993 C GLN A 61 12.316 -8.356 10.616 1.00 70.13 C ATOM 994 O GLN A 61 12.040 -7.882 9.523 1.00 31.53 O ATOM 995 CB GLN A 61 13.926 -7.003 12.011 1.00 44.55 C ATOM 996 CG GLN A 61 14.484 -6.201 10.811 1.00 75.44 C ATOM 997 CD GLN A 61 15.966 -5.849 10.920 1.00 11.45 C ATOM 998 OE1 GLN A 61 16.760 -6.577 11.507 1.00 3.33 O ATOM 999 NE2 GLN A 61 16.351 -4.726 10.351 1.00 54.21 N ATOM 0 H GLN A 61 12.605 -8.194 13.781 1.00 42.45 H new ATOM 0 HA GLN A 61 11.853 -6.526 11.652 1.00 4.21 H new ATOM 0 HB2 GLN A 61 14.019 -6.402 12.916 1.00 44.55 H new ATOM 0 HB3 GLN A 61 14.534 -7.896 12.157 1.00 44.55 H new ATOM 0 HG2 GLN A 61 14.326 -6.778 9.900 1.00 75.44 H new ATOM 0 HG3 GLN A 61 13.911 -5.279 10.708 1.00 75.44 H new ATOM 0 HE21 GLN A 61 15.670 -4.139 9.869 1.00 54.21 H new ATOM 0 HE22 GLN A 61 17.330 -4.443 10.392 1.00 54.21 H new ATOM 1008 N ASP A 62 12.498 -9.679 10.823 1.00 2.10 N ATOM 1009 CA ASP A 62 12.426 -10.678 9.731 1.00 13.14 C ATOM 1010 C ASP A 62 11.008 -10.767 9.147 1.00 15.11 C ATOM 1011 O ASP A 62 10.828 -10.686 7.920 1.00 53.14 O ATOM 1012 CB ASP A 62 12.882 -12.085 10.213 1.00 25.20 C ATOM 1013 CG ASP A 62 14.372 -12.156 10.597 1.00 4.22 C ATOM 1014 OD1 ASP A 62 14.709 -12.823 11.597 1.00 54.01 O ATOM 1015 OD2 ASP A 62 15.215 -11.556 9.885 1.00 42.33 O ATOM 0 H ASP A 62 12.696 -10.082 11.739 1.00 2.10 H new ATOM 0 HA ASP A 62 13.107 -10.340 8.950 1.00 13.14 H new ATOM 0 HB2 ASP A 62 12.280 -12.377 11.073 1.00 25.20 H new ATOM 0 HB3 ASP A 62 12.684 -12.811 9.424 1.00 25.20 H new ATOM 1020 N MET A 63 10.005 -10.916 10.043 1.00 31.24 N ATOM 1021 CA MET A 63 8.578 -11.020 9.644 1.00 13.41 C ATOM 1022 C MET A 63 8.104 -9.720 8.979 1.00 32.53 C ATOM 1023 O MET A 63 7.495 -9.751 7.904 1.00 61.21 O ATOM 1024 CB MET A 63 7.688 -11.377 10.867 1.00 74.24 C ATOM 1025 CG MET A 63 7.988 -12.760 11.457 1.00 64.33 C ATOM 1026 SD MET A 63 6.939 -13.173 12.869 1.00 64.42 S ATOM 1027 CE MET A 63 7.495 -11.996 14.105 1.00 63.02 C ATOM 0 H MET A 63 10.156 -10.967 11.050 1.00 31.24 H new ATOM 0 HA MET A 63 8.485 -11.825 8.915 1.00 13.41 H new ATOM 0 HB2 MET A 63 7.828 -10.622 11.641 1.00 74.24 H new ATOM 0 HB3 MET A 63 6.640 -11.337 10.568 1.00 74.24 H new ATOM 0 HG2 MET A 63 7.857 -13.515 10.682 1.00 64.33 H new ATOM 0 HG3 MET A 63 9.033 -12.798 11.765 1.00 64.33 H new ATOM 0 HE1 MET A 63 6.839 -12.044 14.974 1.00 63.02 H new ATOM 0 HE2 MET A 63 8.514 -12.239 14.406 1.00 63.02 H new ATOM 0 HE3 MET A 63 7.470 -10.990 13.686 1.00 63.02 H new ATOM 1037 N VAL A 64 8.454 -8.590 9.621 1.00 2.31 N ATOM 1038 CA VAL A 64 8.142 -7.231 9.149 1.00 22.33 C ATOM 1039 C VAL A 64 8.742 -6.978 7.757 1.00 0.33 C ATOM 1040 O VAL A 64 8.032 -6.531 6.859 1.00 42.21 O ATOM 1041 CB VAL A 64 8.646 -6.162 10.205 1.00 41.32 C ATOM 1042 CG1 VAL A 64 8.785 -4.744 9.606 1.00 64.31 C ATOM 1043 CG2 VAL A 64 7.700 -6.163 11.434 1.00 21.20 C ATOM 0 H VAL A 64 8.972 -8.598 10.500 1.00 2.31 H new ATOM 0 HA VAL A 64 7.061 -7.132 9.054 1.00 22.33 H new ATOM 0 HB VAL A 64 9.649 -6.452 10.518 1.00 41.32 H new ATOM 0 HG11 VAL A 64 9.133 -4.056 10.376 1.00 64.31 H new ATOM 0 HG12 VAL A 64 9.503 -4.764 8.786 1.00 64.31 H new ATOM 0 HG13 VAL A 64 7.817 -4.410 9.233 1.00 64.31 H new ATOM 0 HG21 VAL A 64 8.046 -5.428 12.160 1.00 21.20 H new ATOM 0 HG22 VAL A 64 6.689 -5.910 11.115 1.00 21.20 H new ATOM 0 HG23 VAL A 64 7.699 -7.152 11.891 1.00 21.20 H new ATOM 1053 N ALA A 65 10.032 -7.328 7.588 1.00 40.40 N ATOM 1054 CA ALA A 65 10.770 -7.142 6.323 1.00 42.35 C ATOM 1055 C ALA A 65 10.171 -8.011 5.208 1.00 75.11 C ATOM 1056 O ALA A 65 10.188 -7.615 4.038 1.00 53.05 O ATOM 1057 CB ALA A 65 12.261 -7.463 6.502 1.00 31.44 C ATOM 0 H ALA A 65 10.594 -7.749 8.328 1.00 40.40 H new ATOM 0 HA ALA A 65 10.676 -6.095 6.036 1.00 42.35 H new ATOM 0 HB1 ALA A 65 12.781 -7.318 5.555 1.00 31.44 H new ATOM 0 HB2 ALA A 65 12.688 -6.801 7.255 1.00 31.44 H new ATOM 0 HB3 ALA A 65 12.374 -8.499 6.823 1.00 31.44 H new ATOM 1063 N GLY A 66 9.648 -9.198 5.593 1.00 3.21 N ATOM 1064 CA GLY A 66 8.897 -10.059 4.677 1.00 1.42 C ATOM 1065 C GLY A 66 7.633 -9.370 4.174 1.00 10.10 C ATOM 1066 O GLY A 66 7.391 -9.311 2.966 1.00 21.23 O ATOM 0 H GLY A 66 9.738 -9.574 6.537 1.00 3.21 H new ATOM 0 HA2 GLY A 66 9.528 -10.329 3.830 1.00 1.42 H new ATOM 0 HA3 GLY A 66 8.630 -10.986 5.184 1.00 1.42 H new ATOM 1070 N TYR A 67 6.865 -8.785 5.117 1.00 32.30 N ATOM 1071 CA TYR A 67 5.623 -8.042 4.809 1.00 70.24 C ATOM 1072 C TYR A 67 5.913 -6.758 4.007 1.00 64.44 C ATOM 1073 O TYR A 67 5.075 -6.313 3.218 1.00 33.04 O ATOM 1074 CB TYR A 67 4.855 -7.691 6.108 1.00 52.20 C ATOM 1075 CG TYR A 67 4.371 -8.907 6.912 1.00 64.23 C ATOM 1076 CD1 TYR A 67 4.511 -8.963 8.304 1.00 2.14 C ATOM 1077 CD2 TYR A 67 3.770 -9.997 6.275 1.00 74.13 C ATOM 1078 CE1 TYR A 67 4.076 -10.060 9.022 1.00 24.43 C ATOM 1079 CE2 TYR A 67 3.334 -11.092 6.992 1.00 51.10 C ATOM 1080 CZ TYR A 67 3.487 -11.120 8.361 1.00 41.42 C ATOM 1081 OH TYR A 67 3.050 -12.216 9.071 1.00 41.14 O ATOM 0 H TYR A 67 7.087 -8.814 6.112 1.00 32.30 H new ATOM 0 HA TYR A 67 5.002 -8.693 4.194 1.00 70.24 H new ATOM 0 HB2 TYR A 67 5.500 -7.085 6.744 1.00 52.20 H new ATOM 0 HB3 TYR A 67 3.993 -7.076 5.850 1.00 52.20 H new ATOM 0 HD1 TYR A 67 4.967 -8.134 8.825 1.00 2.14 H new ATOM 0 HD2 TYR A 67 3.645 -9.981 5.202 1.00 74.13 H new ATOM 0 HE1 TYR A 67 4.196 -10.089 10.095 1.00 24.43 H new ATOM 0 HE2 TYR A 67 2.874 -11.925 6.482 1.00 51.10 H new ATOM 0 HH TYR A 67 2.659 -12.870 8.455 1.00 41.14 H new ATOM 1091 N ILE A 68 7.113 -6.190 4.224 1.00 73.44 N ATOM 1092 CA ILE A 68 7.603 -5.004 3.507 1.00 54.14 C ATOM 1093 C ILE A 68 7.914 -5.367 2.045 1.00 45.13 C ATOM 1094 O ILE A 68 7.584 -4.605 1.136 1.00 4.04 O ATOM 1095 CB ILE A 68 8.866 -4.386 4.227 1.00 54.44 C ATOM 1096 CG1 ILE A 68 8.442 -3.702 5.567 1.00 15.12 C ATOM 1097 CG2 ILE A 68 9.641 -3.403 3.316 1.00 70.12 C ATOM 1098 CD1 ILE A 68 9.589 -3.138 6.392 1.00 75.01 C ATOM 0 H ILE A 68 7.776 -6.548 4.911 1.00 73.44 H new ATOM 0 HA ILE A 68 6.823 -4.243 3.515 1.00 54.14 H new ATOM 0 HB ILE A 68 9.551 -5.204 4.451 1.00 54.44 H new ATOM 0 HG12 ILE A 68 7.746 -2.895 5.341 1.00 15.12 H new ATOM 0 HG13 ILE A 68 7.901 -4.429 6.173 1.00 15.12 H new ATOM 0 HG21 ILE A 68 10.500 -3.006 3.857 1.00 70.12 H new ATOM 0 HG22 ILE A 68 9.985 -3.927 2.424 1.00 70.12 H new ATOM 0 HG23 ILE A 68 8.985 -2.583 3.024 1.00 70.12 H new ATOM 0 HD11 ILE A 68 9.195 -2.685 7.301 1.00 75.01 H new ATOM 0 HD12 ILE A 68 10.277 -3.941 6.656 1.00 75.01 H new ATOM 0 HD13 ILE A 68 10.119 -2.383 5.811 1.00 75.01 H new ATOM 1110 N LYS A 69 8.535 -6.548 1.831 1.00 72.34 N ATOM 1111 CA LYS A 69 8.787 -7.077 0.478 1.00 33.43 C ATOM 1112 C LYS A 69 7.460 -7.283 -0.268 1.00 21.20 C ATOM 1113 O LYS A 69 7.331 -6.888 -1.439 1.00 40.43 O ATOM 1114 CB LYS A 69 9.585 -8.412 0.531 1.00 71.14 C ATOM 1115 CG LYS A 69 11.085 -8.248 0.847 1.00 45.10 C ATOM 1116 CD LYS A 69 11.826 -7.424 -0.234 1.00 44.32 C ATOM 1117 CE LYS A 69 13.348 -7.407 -0.026 1.00 60.40 C ATOM 1118 NZ LYS A 69 13.742 -6.792 1.269 1.00 75.42 N ATOM 0 H LYS A 69 8.870 -7.152 2.582 1.00 72.34 H new ATOM 0 HA LYS A 69 9.390 -6.346 -0.060 1.00 33.43 H new ATOM 0 HB2 LYS A 69 9.136 -9.059 1.285 1.00 71.14 H new ATOM 0 HB3 LYS A 69 9.482 -8.920 -0.428 1.00 71.14 H new ATOM 0 HG2 LYS A 69 11.199 -7.760 1.815 1.00 45.10 H new ATOM 0 HG3 LYS A 69 11.546 -9.232 0.930 1.00 45.10 H new ATOM 0 HD2 LYS A 69 11.602 -7.838 -1.217 1.00 44.32 H new ATOM 0 HD3 LYS A 69 11.451 -6.401 -0.226 1.00 44.32 H new ATOM 0 HE2 LYS A 69 13.728 -8.428 -0.070 1.00 60.40 H new ATOM 0 HE3 LYS A 69 13.816 -6.857 -0.842 1.00 60.40 H new ATOM 0 HZ1 LYS A 69 14.778 -6.806 1.359 1.00 75.42 H new ATOM 0 HZ2 LYS A 69 13.405 -5.809 1.303 1.00 75.42 H new ATOM 0 HZ3 LYS A 69 13.319 -7.331 2.052 1.00 75.42 H new ATOM 1132 N GLN A 70 6.484 -7.886 0.454 1.00 42.02 N ATOM 1133 CA GLN A 70 5.135 -8.150 -0.063 1.00 61.33 C ATOM 1134 C GLN A 70 4.486 -6.850 -0.541 1.00 20.41 C ATOM 1135 O GLN A 70 4.186 -6.709 -1.720 1.00 14.53 O ATOM 1136 CB GLN A 70 4.220 -8.819 1.004 1.00 20.44 C ATOM 1137 CG GLN A 70 4.689 -10.197 1.505 1.00 45.10 C ATOM 1138 CD GLN A 70 3.669 -10.879 2.422 1.00 10.52 C ATOM 1139 OE1 GLN A 70 2.458 -10.734 2.248 1.00 34.10 O ATOM 1140 NE2 GLN A 70 4.142 -11.603 3.417 1.00 34.51 N ATOM 0 H GLN A 70 6.619 -8.201 1.415 1.00 42.02 H new ATOM 0 HA GLN A 70 5.243 -8.841 -0.899 1.00 61.33 H new ATOM 0 HB2 GLN A 70 4.138 -8.149 1.860 1.00 20.44 H new ATOM 0 HB3 GLN A 70 3.219 -8.925 0.585 1.00 20.44 H new ATOM 0 HG2 GLN A 70 4.887 -10.841 0.648 1.00 45.10 H new ATOM 0 HG3 GLN A 70 5.631 -10.081 2.041 1.00 45.10 H new ATOM 0 HE21 GLN A 70 5.149 -11.707 3.538 1.00 34.51 H new ATOM 0 HE22 GLN A 70 3.501 -12.059 4.066 1.00 34.51 H new ATOM 1149 N THR A 71 4.352 -5.879 0.381 1.00 50.30 N ATOM 1150 CA THR A 71 3.583 -4.662 0.123 1.00 44.32 C ATOM 1151 C THR A 71 4.257 -3.753 -0.913 1.00 73.15 C ATOM 1152 O THR A 71 3.565 -3.166 -1.723 1.00 71.33 O ATOM 1153 CB THR A 71 3.259 -3.858 1.422 1.00 51.14 C ATOM 1154 OG1 THR A 71 2.326 -2.808 1.112 1.00 63.10 O ATOM 1155 CG2 THR A 71 4.498 -3.246 2.096 1.00 72.30 C ATOM 0 H THR A 71 4.770 -5.920 1.311 1.00 50.30 H new ATOM 0 HA THR A 71 2.636 -5.006 -0.293 1.00 44.32 H new ATOM 0 HB THR A 71 2.835 -4.571 2.130 1.00 51.14 H new ATOM 0 HG1 THR A 71 2.580 -1.993 1.593 1.00 63.10 H new ATOM 0 HG21 THR A 71 4.194 -2.703 2.991 1.00 72.30 H new ATOM 0 HG22 THR A 71 5.192 -4.040 2.371 1.00 72.30 H new ATOM 0 HG23 THR A 71 4.987 -2.560 1.404 1.00 72.30 H new ATOM 1163 N LEU A 72 5.604 -3.651 -0.889 1.00 34.14 N ATOM 1164 CA LEU A 72 6.351 -2.805 -1.846 1.00 15.10 C ATOM 1165 C LEU A 72 6.323 -3.404 -3.264 1.00 32.22 C ATOM 1166 O LEU A 72 6.287 -2.655 -4.234 1.00 54.02 O ATOM 1167 CB LEU A 72 7.817 -2.552 -1.376 1.00 23.43 C ATOM 1168 CG LEU A 72 8.000 -1.567 -0.172 1.00 73.32 C ATOM 1169 CD1 LEU A 72 9.484 -1.480 0.245 1.00 63.32 C ATOM 1170 CD2 LEU A 72 7.436 -0.162 -0.497 1.00 22.45 C ATOM 0 H LEU A 72 6.195 -4.143 -0.219 1.00 34.14 H new ATOM 0 HA LEU A 72 5.847 -1.839 -1.879 1.00 15.10 H new ATOM 0 HB2 LEU A 72 8.259 -3.510 -1.104 1.00 23.43 H new ATOM 0 HB3 LEU A 72 8.386 -2.167 -2.222 1.00 23.43 H new ATOM 0 HG LEU A 72 7.431 -1.964 0.668 1.00 73.32 H new ATOM 0 HD11 LEU A 72 9.587 -0.790 1.083 1.00 63.32 H new ATOM 0 HD12 LEU A 72 9.837 -2.467 0.543 1.00 63.32 H new ATOM 0 HD13 LEU A 72 10.078 -1.121 -0.596 1.00 63.32 H new ATOM 0 HD21 LEU A 72 7.580 0.495 0.361 1.00 22.45 H new ATOM 0 HD22 LEU A 72 7.959 0.249 -1.361 1.00 22.45 H new ATOM 0 HD23 LEU A 72 6.372 -0.240 -0.720 1.00 22.45 H new ATOM 1182 N ASP A 73 6.341 -4.751 -3.375 1.00 75.54 N ATOM 1183 CA ASP A 73 6.242 -5.447 -4.686 1.00 12.21 C ATOM 1184 C ASP A 73 4.812 -5.334 -5.251 1.00 64.31 C ATOM 1185 O ASP A 73 4.629 -5.003 -6.430 1.00 74.44 O ATOM 1186 CB ASP A 73 6.659 -6.938 -4.564 1.00 34.32 C ATOM 1187 CG ASP A 73 6.494 -7.720 -5.888 1.00 72.13 C ATOM 1188 OD1 ASP A 73 7.360 -7.586 -6.781 1.00 33.23 O ATOM 1189 OD2 ASP A 73 5.502 -8.469 -6.033 1.00 60.32 O ATOM 0 H ASP A 73 6.423 -5.380 -2.577 1.00 75.54 H new ATOM 0 HA ASP A 73 6.931 -4.960 -5.376 1.00 12.21 H new ATOM 0 HB2 ASP A 73 7.699 -6.994 -4.242 1.00 34.32 H new ATOM 0 HB3 ASP A 73 6.059 -7.415 -3.789 1.00 34.32 H new ATOM 1194 N ASN A 74 3.812 -5.587 -4.380 1.00 11.43 N ATOM 1195 CA ASN A 74 2.383 -5.515 -4.740 1.00 63.03 C ATOM 1196 C ASN A 74 2.009 -4.095 -5.172 1.00 61.34 C ATOM 1197 O ASN A 74 1.328 -3.909 -6.174 1.00 52.51 O ATOM 1198 CB ASN A 74 1.488 -5.931 -3.548 1.00 32.21 C ATOM 1199 CG ASN A 74 1.593 -7.403 -3.159 1.00 33.34 C ATOM 1200 OD1 ASN A 74 1.813 -8.277 -3.996 1.00 32.50 O ATOM 1201 ND2 ASN A 74 1.429 -7.690 -1.876 1.00 10.42 N ATOM 0 H ASN A 74 3.975 -5.847 -3.407 1.00 11.43 H new ATOM 0 HA ASN A 74 2.218 -6.205 -5.568 1.00 63.03 H new ATOM 0 HB2 ASN A 74 1.750 -5.321 -2.684 1.00 32.21 H new ATOM 0 HB3 ASN A 74 0.450 -5.707 -3.794 1.00 32.21 H new ATOM 0 HD21 ASN A 74 1.484 -8.658 -1.559 1.00 10.42 H new ATOM 0 HD22 ASN A 74 1.248 -6.943 -1.205 1.00 10.42 H new ATOM 1208 N GLU A 75 2.486 -3.112 -4.392 1.00 3.30 N ATOM 1209 CA GLU A 75 2.221 -1.686 -4.622 1.00 21.10 C ATOM 1210 C GLU A 75 3.037 -1.157 -5.815 1.00 60.11 C ATOM 1211 O GLU A 75 2.619 -0.212 -6.459 1.00 73.21 O ATOM 1212 CB GLU A 75 2.533 -0.872 -3.346 1.00 3.12 C ATOM 1213 CG GLU A 75 2.212 0.627 -3.438 1.00 43.35 C ATOM 1214 CD GLU A 75 2.698 1.411 -2.221 1.00 61.33 C ATOM 1215 OE1 GLU A 75 1.892 1.644 -1.291 1.00 22.02 O ATOM 1216 OE2 GLU A 75 3.897 1.781 -2.189 1.00 73.30 O ATOM 0 H GLU A 75 3.072 -3.288 -3.576 1.00 3.30 H new ATOM 0 HA GLU A 75 1.164 -1.569 -4.862 1.00 21.10 H new ATOM 0 HB2 GLU A 75 1.971 -1.298 -2.515 1.00 3.12 H new ATOM 0 HB3 GLU A 75 3.591 -0.988 -3.109 1.00 3.12 H new ATOM 0 HG2 GLU A 75 2.672 1.038 -4.337 1.00 43.35 H new ATOM 0 HG3 GLU A 75 1.135 0.758 -3.543 1.00 43.35 H new ATOM 1223 N GLN A 76 4.208 -1.766 -6.086 1.00 32.24 N ATOM 1224 CA GLN A 76 5.013 -1.470 -7.291 1.00 32.21 C ATOM 1225 C GLN A 76 4.207 -1.812 -8.551 1.00 3.14 C ATOM 1226 O GLN A 76 4.054 -0.983 -9.468 1.00 13.11 O ATOM 1227 CB GLN A 76 6.327 -2.295 -7.271 1.00 63.32 C ATOM 1228 CG GLN A 76 7.222 -2.131 -8.508 1.00 63.24 C ATOM 1229 CD GLN A 76 8.410 -3.089 -8.491 1.00 52.31 C ATOM 1230 OE1 GLN A 76 9.476 -2.774 -7.966 1.00 65.32 O ATOM 1231 NE2 GLN A 76 8.229 -4.276 -9.051 1.00 52.03 N ATOM 0 H GLN A 76 4.622 -2.474 -5.480 1.00 32.24 H new ATOM 0 HA GLN A 76 5.261 -0.409 -7.298 1.00 32.21 H new ATOM 0 HB2 GLN A 76 6.900 -2.013 -6.388 1.00 63.32 H new ATOM 0 HB3 GLN A 76 6.073 -3.350 -7.163 1.00 63.32 H new ATOM 0 HG2 GLN A 76 6.631 -2.304 -9.407 1.00 63.24 H new ATOM 0 HG3 GLN A 76 7.586 -1.105 -8.558 1.00 63.24 H new ATOM 0 HE21 GLN A 76 7.332 -4.507 -9.478 1.00 52.03 H new ATOM 0 HE22 GLN A 76 8.987 -4.959 -9.055 1.00 52.03 H new ATOM 1240 N LEU A 77 3.678 -3.048 -8.554 1.00 2.22 N ATOM 1241 CA LEU A 77 2.845 -3.564 -9.638 1.00 22.52 C ATOM 1242 C LEU A 77 1.537 -2.749 -9.748 1.00 22.04 C ATOM 1243 O LEU A 77 1.133 -2.406 -10.848 1.00 60.25 O ATOM 1244 CB LEU A 77 2.582 -5.075 -9.426 1.00 12.43 C ATOM 1245 CG LEU A 77 3.835 -6.005 -9.554 1.00 23.52 C ATOM 1246 CD1 LEU A 77 3.523 -7.443 -9.090 1.00 74.45 C ATOM 1247 CD2 LEU A 77 4.388 -5.995 -10.993 1.00 30.22 C ATOM 0 H LEU A 77 3.821 -3.716 -7.797 1.00 2.22 H new ATOM 0 HA LEU A 77 3.370 -3.452 -10.587 1.00 22.52 H new ATOM 0 HB2 LEU A 77 2.148 -5.214 -8.436 1.00 12.43 H new ATOM 0 HB3 LEU A 77 1.835 -5.400 -10.150 1.00 12.43 H new ATOM 0 HG LEU A 77 4.606 -5.608 -8.894 1.00 23.52 H new ATOM 0 HD11 LEU A 77 4.415 -8.060 -9.193 1.00 74.45 H new ATOM 0 HD12 LEU A 77 3.210 -7.429 -8.046 1.00 74.45 H new ATOM 0 HD13 LEU A 77 2.723 -7.857 -9.703 1.00 74.45 H new ATOM 0 HD21 LEU A 77 5.258 -6.649 -11.053 1.00 30.22 H new ATOM 0 HD22 LEU A 77 3.620 -6.349 -11.681 1.00 30.22 H new ATOM 0 HD23 LEU A 77 4.678 -4.980 -11.264 1.00 30.22 H new ATOM 1259 N LEU A 78 0.932 -2.406 -8.585 1.00 3.14 N ATOM 1260 CA LEU A 78 -0.234 -1.485 -8.494 1.00 65.32 C ATOM 1261 C LEU A 78 0.084 -0.113 -9.108 1.00 61.13 C ATOM 1262 O LEU A 78 -0.710 0.422 -9.869 1.00 0.54 O ATOM 1263 CB LEU A 78 -0.687 -1.288 -7.003 1.00 1.31 C ATOM 1264 CG LEU A 78 -1.567 -2.420 -6.399 1.00 62.12 C ATOM 1265 CD1 LEU A 78 -1.746 -2.251 -4.873 1.00 53.14 C ATOM 1266 CD2 LEU A 78 -2.926 -2.468 -7.113 1.00 4.10 C ATOM 0 H LEU A 78 1.238 -2.760 -7.679 1.00 3.14 H new ATOM 0 HA LEU A 78 -1.044 -1.947 -9.058 1.00 65.32 H new ATOM 0 HB2 LEU A 78 0.204 -1.180 -6.385 1.00 1.31 H new ATOM 0 HB3 LEU A 78 -1.239 -0.351 -6.933 1.00 1.31 H new ATOM 0 HG LEU A 78 -1.055 -3.369 -6.557 1.00 62.12 H new ATOM 0 HD11 LEU A 78 -2.366 -3.060 -4.488 1.00 53.14 H new ATOM 0 HD12 LEU A 78 -0.771 -2.278 -4.387 1.00 53.14 H new ATOM 0 HD13 LEU A 78 -2.227 -1.295 -4.667 1.00 53.14 H new ATOM 0 HD21 LEU A 78 -3.535 -3.263 -6.683 1.00 4.10 H new ATOM 0 HD22 LEU A 78 -3.436 -1.513 -6.989 1.00 4.10 H new ATOM 0 HD23 LEU A 78 -2.773 -2.662 -8.175 1.00 4.10 H new ATOM 1278 N LYS A 79 1.265 0.420 -8.772 1.00 0.21 N ATOM 1279 CA LYS A 79 1.687 1.780 -9.147 1.00 53.11 C ATOM 1280 C LYS A 79 1.771 1.907 -10.672 1.00 60.03 C ATOM 1281 O LYS A 79 1.147 2.794 -11.254 1.00 64.45 O ATOM 1282 CB LYS A 79 3.055 2.100 -8.488 1.00 10.15 C ATOM 1283 CG LYS A 79 3.570 3.545 -8.666 1.00 25.13 C ATOM 1284 CD LYS A 79 4.947 3.746 -7.989 1.00 73.53 C ATOM 1285 CE LYS A 79 5.480 5.178 -8.104 1.00 21.23 C ATOM 1286 NZ LYS A 79 6.818 5.309 -7.462 1.00 50.51 N ATOM 0 H LYS A 79 1.964 -0.084 -8.226 1.00 0.21 H new ATOM 0 HA LYS A 79 0.950 2.499 -8.789 1.00 53.11 H new ATOM 0 HB2 LYS A 79 2.980 1.891 -7.421 1.00 10.15 H new ATOM 0 HB3 LYS A 79 3.801 1.417 -8.895 1.00 10.15 H new ATOM 0 HG2 LYS A 79 3.649 3.775 -9.728 1.00 25.13 H new ATOM 0 HG3 LYS A 79 2.849 4.244 -8.241 1.00 25.13 H new ATOM 0 HD2 LYS A 79 4.867 3.480 -6.935 1.00 73.53 H new ATOM 0 HD3 LYS A 79 5.667 3.061 -8.437 1.00 73.53 H new ATOM 0 HE2 LYS A 79 5.549 5.460 -9.155 1.00 21.23 H new ATOM 0 HE3 LYS A 79 4.779 5.868 -7.634 1.00 21.23 H new ATOM 0 HZ1 LYS A 79 6.883 6.228 -6.980 1.00 50.51 H new ATOM 0 HZ2 LYS A 79 6.947 4.545 -6.768 1.00 50.51 H new ATOM 0 HZ3 LYS A 79 7.559 5.245 -8.189 1.00 50.51 H new ATOM 1300 N GLY A 80 2.511 0.971 -11.301 1.00 61.44 N ATOM 1301 CA GLY A 80 2.680 0.953 -12.762 1.00 35.02 C ATOM 1302 C GLY A 80 1.389 0.635 -13.513 1.00 62.12 C ATOM 1303 O GLY A 80 1.077 1.285 -14.524 1.00 21.52 O ATOM 0 H GLY A 80 3.000 0.219 -10.816 1.00 61.44 H new ATOM 0 HA2 GLY A 80 3.054 1.923 -13.090 1.00 35.02 H new ATOM 0 HA3 GLY A 80 3.437 0.214 -13.025 1.00 35.02 H new ATOM 1307 N LEU A 81 0.631 -0.347 -12.985 1.00 54.24 N ATOM 1308 CA LEU A 81 -0.637 -0.819 -13.575 1.00 33.42 C ATOM 1309 C LEU A 81 -1.659 0.330 -13.629 1.00 73.40 C ATOM 1310 O LEU A 81 -2.218 0.621 -14.685 1.00 31.03 O ATOM 1311 CB LEU A 81 -1.159 -2.022 -12.727 1.00 14.40 C ATOM 1312 CG LEU A 81 -2.396 -2.844 -13.243 1.00 1.43 C ATOM 1313 CD1 LEU A 81 -2.439 -4.236 -12.581 1.00 42.34 C ATOM 1314 CD2 LEU A 81 -3.731 -2.110 -13.003 1.00 10.32 C ATOM 0 H LEU A 81 0.885 -0.839 -12.128 1.00 54.24 H new ATOM 0 HA LEU A 81 -0.480 -1.154 -14.600 1.00 33.42 H new ATOM 0 HB2 LEU A 81 -0.331 -2.719 -12.602 1.00 14.40 H new ATOM 0 HB3 LEU A 81 -1.408 -1.642 -11.736 1.00 14.40 H new ATOM 0 HG LEU A 81 -2.270 -2.957 -14.320 1.00 1.43 H new ATOM 0 HD11 LEU A 81 -3.302 -4.789 -12.952 1.00 42.34 H new ATOM 0 HD12 LEU A 81 -1.527 -4.782 -12.823 1.00 42.34 H new ATOM 0 HD13 LEU A 81 -2.518 -4.122 -11.500 1.00 42.34 H new ATOM 0 HD21 LEU A 81 -4.554 -2.719 -13.377 1.00 10.32 H new ATOM 0 HD22 LEU A 81 -3.864 -1.937 -11.935 1.00 10.32 H new ATOM 0 HD23 LEU A 81 -3.720 -1.154 -13.527 1.00 10.32 H new ATOM 1326 N LEU A 82 -1.865 0.971 -12.468 1.00 43.43 N ATOM 1327 CA LEU A 82 -2.859 2.038 -12.279 1.00 33.31 C ATOM 1328 C LEU A 82 -2.408 3.351 -12.930 1.00 54.33 C ATOM 1329 O LEU A 82 -3.245 4.182 -13.265 1.00 53.51 O ATOM 1330 CB LEU A 82 -3.134 2.223 -10.764 1.00 42.40 C ATOM 1331 CG LEU A 82 -3.979 1.088 -10.096 1.00 44.02 C ATOM 1332 CD1 LEU A 82 -3.757 1.030 -8.574 1.00 72.21 C ATOM 1333 CD2 LEU A 82 -5.468 1.267 -10.422 1.00 73.03 C ATOM 0 H LEU A 82 -1.337 0.759 -11.621 1.00 43.43 H new ATOM 0 HA LEU A 82 -3.785 1.746 -12.774 1.00 33.31 H new ATOM 0 HB2 LEU A 82 -2.179 2.297 -10.244 1.00 42.40 H new ATOM 0 HB3 LEU A 82 -3.650 3.172 -10.618 1.00 42.40 H new ATOM 0 HG LEU A 82 -3.641 0.138 -10.509 1.00 44.02 H new ATOM 0 HD11 LEU A 82 -4.362 0.229 -8.148 1.00 72.21 H new ATOM 0 HD12 LEU A 82 -2.704 0.839 -8.367 1.00 72.21 H new ATOM 0 HD13 LEU A 82 -4.048 1.981 -8.127 1.00 72.21 H new ATOM 0 HD21 LEU A 82 -6.042 0.470 -9.950 1.00 73.03 H new ATOM 0 HD22 LEU A 82 -5.809 2.231 -10.046 1.00 73.03 H new ATOM 0 HD23 LEU A 82 -5.611 1.227 -11.502 1.00 73.03 H new ATOM 1345 N GLN A 83 -1.085 3.532 -13.095 1.00 3.45 N ATOM 1346 CA GLN A 83 -0.522 4.663 -13.856 1.00 12.54 C ATOM 1347 C GLN A 83 -0.934 4.534 -15.341 1.00 53.13 C ATOM 1348 O GLN A 83 -1.454 5.486 -15.942 1.00 63.43 O ATOM 1349 CB GLN A 83 1.029 4.708 -13.660 1.00 74.22 C ATOM 1350 CG GLN A 83 1.768 5.926 -14.274 1.00 60.43 C ATOM 1351 CD GLN A 83 2.082 5.815 -15.772 1.00 62.43 C ATOM 1352 OE1 GLN A 83 2.113 6.819 -16.481 1.00 34.32 O ATOM 1353 NE2 GLN A 83 2.350 4.604 -16.262 1.00 4.45 N ATOM 0 H GLN A 83 -0.381 2.904 -12.708 1.00 3.45 H new ATOM 0 HA GLN A 83 -0.918 5.610 -13.488 1.00 12.54 H new ATOM 0 HB2 GLN A 83 1.239 4.685 -12.591 1.00 74.22 H new ATOM 0 HB3 GLN A 83 1.454 3.800 -14.088 1.00 74.22 H new ATOM 0 HG2 GLN A 83 1.162 6.817 -14.112 1.00 60.43 H new ATOM 0 HG3 GLN A 83 2.703 6.073 -13.733 1.00 60.43 H new ATOM 0 HE21 GLN A 83 2.317 3.788 -15.651 1.00 4.45 H new ATOM 0 HE22 GLN A 83 2.588 4.494 -17.248 1.00 4.45 H new ATOM 1362 N GLN A 84 -0.743 3.317 -15.902 1.00 4.24 N ATOM 1363 CA GLN A 84 -1.094 3.010 -17.306 1.00 13.44 C ATOM 1364 C GLN A 84 -2.622 2.906 -17.496 1.00 33.42 C ATOM 1365 O GLN A 84 -3.141 3.182 -18.592 1.00 15.14 O ATOM 1366 CB GLN A 84 -0.410 1.699 -17.759 1.00 70.11 C ATOM 1367 CG GLN A 84 1.131 1.759 -17.779 1.00 12.13 C ATOM 1368 CD GLN A 84 1.808 0.491 -18.319 1.00 63.53 C ATOM 1369 OE1 GLN A 84 2.900 0.123 -17.881 1.00 31.12 O ATOM 1370 NE2 GLN A 84 1.207 -0.161 -19.300 1.00 52.53 N ATOM 0 H GLN A 84 -0.344 2.526 -15.397 1.00 4.24 H new ATOM 0 HA GLN A 84 -0.733 3.832 -17.925 1.00 13.44 H new ATOM 0 HB2 GLN A 84 -0.722 0.893 -17.095 1.00 70.11 H new ATOM 0 HB3 GLN A 84 -0.765 1.445 -18.758 1.00 70.11 H new ATOM 0 HG2 GLN A 84 1.442 2.609 -18.387 1.00 12.13 H new ATOM 0 HG3 GLN A 84 1.489 1.944 -16.766 1.00 12.13 H new ATOM 0 HE21 GLN A 84 0.304 0.160 -19.648 1.00 52.53 H new ATOM 0 HE22 GLN A 84 1.647 -0.985 -19.709 1.00 52.53 H new ATOM 1379 N ARG A 85 -3.332 2.514 -16.424 1.00 23.31 N ATOM 1380 CA ARG A 85 -4.787 2.363 -16.448 1.00 20.15 C ATOM 1381 C ARG A 85 -5.445 3.743 -16.497 1.00 63.40 C ATOM 1382 O ARG A 85 -6.270 3.983 -17.363 1.00 70.31 O ATOM 1383 CB ARG A 85 -5.301 1.546 -15.228 1.00 61.45 C ATOM 1384 CG ARG A 85 -6.820 1.267 -15.238 1.00 22.51 C ATOM 1385 CD ARG A 85 -7.294 0.573 -16.529 1.00 71.30 C ATOM 1386 NE ARG A 85 -6.574 -0.690 -16.795 1.00 74.44 N ATOM 1387 CZ ARG A 85 -6.307 -1.183 -18.021 1.00 34.01 C ATOM 1388 NH1 ARG A 85 -6.703 -0.540 -19.124 1.00 32.31 N ATOM 1389 NH2 ARG A 85 -5.645 -2.332 -18.135 1.00 41.23 N ATOM 0 H ARG A 85 -2.910 2.295 -15.522 1.00 23.31 H new ATOM 0 HA ARG A 85 -5.059 1.804 -17.343 1.00 20.15 H new ATOM 0 HB2 ARG A 85 -4.770 0.595 -15.194 1.00 61.45 H new ATOM 0 HB3 ARG A 85 -5.049 2.084 -14.314 1.00 61.45 H new ATOM 0 HG2 ARG A 85 -7.075 0.643 -14.381 1.00 22.51 H new ATOM 0 HG3 ARG A 85 -7.358 2.208 -15.119 1.00 22.51 H new ATOM 0 HD2 ARG A 85 -8.362 0.369 -16.456 1.00 71.30 H new ATOM 0 HD3 ARG A 85 -7.156 1.250 -17.372 1.00 71.30 H new ATOM 0 HE ARG A 85 -6.255 -1.229 -15.990 1.00 74.44 H new ATOM 0 HH11 ARG A 85 -7.216 0.338 -19.046 1.00 32.31 H new ATOM 0 HH12 ARG A 85 -6.492 -0.928 -20.044 1.00 32.31 H new ATOM 0 HH21 ARG A 85 -5.344 -2.832 -17.299 1.00 41.23 H new ATOM 0 HH22 ARG A 85 -5.439 -2.712 -19.059 1.00 41.23 H new ATOM 1403 N LEU A 86 -5.047 4.646 -15.575 1.00 31.34 N ATOM 1404 CA LEU A 86 -5.536 6.041 -15.552 1.00 1.41 C ATOM 1405 C LEU A 86 -5.108 6.802 -16.815 1.00 1.12 C ATOM 1406 O LEU A 86 -5.808 7.717 -17.243 1.00 23.55 O ATOM 1407 CB LEU A 86 -5.029 6.788 -14.289 1.00 40.40 C ATOM 1408 CG LEU A 86 -5.668 6.346 -12.936 1.00 12.32 C ATOM 1409 CD1 LEU A 86 -4.944 7.006 -11.746 1.00 13.00 C ATOM 1410 CD2 LEU A 86 -7.184 6.650 -12.917 1.00 30.45 C ATOM 0 H LEU A 86 -4.383 4.431 -14.831 1.00 31.34 H new ATOM 0 HA LEU A 86 -6.625 6.002 -15.523 1.00 1.41 H new ATOM 0 HB2 LEU A 86 -3.949 6.654 -14.220 1.00 40.40 H new ATOM 0 HB3 LEU A 86 -5.210 7.854 -14.423 1.00 40.40 H new ATOM 0 HG LEU A 86 -5.548 5.267 -12.838 1.00 12.32 H new ATOM 0 HD11 LEU A 86 -5.407 6.683 -10.814 1.00 13.00 H new ATOM 0 HD12 LEU A 86 -3.894 6.712 -11.751 1.00 13.00 H new ATOM 0 HD13 LEU A 86 -5.018 8.090 -11.831 1.00 13.00 H new ATOM 0 HD21 LEU A 86 -7.607 6.333 -11.964 1.00 30.45 H new ATOM 0 HD22 LEU A 86 -7.342 7.721 -13.046 1.00 30.45 H new ATOM 0 HD23 LEU A 86 -7.673 6.111 -13.728 1.00 30.45 H new ATOM 1422 N ASP A 87 -3.943 6.419 -17.375 1.00 34.14 N ATOM 1423 CA ASP A 87 -3.464 6.915 -18.678 1.00 70.32 C ATOM 1424 C ASP A 87 -4.526 6.633 -19.763 1.00 52.21 C ATOM 1425 O ASP A 87 -5.053 7.565 -20.396 1.00 3.04 O ATOM 1426 CB ASP A 87 -2.110 6.234 -19.032 1.00 12.42 C ATOM 1427 CG ASP A 87 -1.449 6.751 -20.323 1.00 44.12 C ATOM 1428 OD1 ASP A 87 -1.904 6.391 -21.424 1.00 74.34 O ATOM 1429 OD2 ASP A 87 -0.453 7.493 -20.234 1.00 64.44 O ATOM 0 H ASP A 87 -3.307 5.755 -16.934 1.00 34.14 H new ATOM 0 HA ASP A 87 -3.303 7.992 -18.626 1.00 70.32 H new ATOM 0 HB2 ASP A 87 -1.418 6.379 -18.202 1.00 12.42 H new ATOM 0 HB3 ASP A 87 -2.273 5.160 -19.128 1.00 12.42 H new ATOM 1434 N GLU A 88 -4.878 5.338 -19.907 1.00 23.22 N ATOM 1435 CA GLU A 88 -5.902 4.893 -20.871 1.00 3.03 C ATOM 1436 C GLU A 88 -7.273 5.538 -20.577 1.00 1.15 C ATOM 1437 O GLU A 88 -7.930 6.017 -21.492 1.00 54.24 O ATOM 1438 CB GLU A 88 -6.051 3.355 -20.864 1.00 40.31 C ATOM 1439 CG GLU A 88 -4.900 2.566 -21.518 1.00 34.20 C ATOM 1440 CD GLU A 88 -5.201 1.063 -21.700 1.00 14.24 C ATOM 1441 OE1 GLU A 88 -6.390 0.687 -21.836 1.00 12.31 O ATOM 1442 OE2 GLU A 88 -4.253 0.258 -21.756 1.00 71.13 O ATOM 0 H GLU A 88 -4.465 4.580 -19.364 1.00 23.22 H new ATOM 0 HA GLU A 88 -5.565 5.213 -21.857 1.00 3.03 H new ATOM 0 HB2 GLU A 88 -6.152 3.024 -19.831 1.00 40.31 H new ATOM 0 HB3 GLU A 88 -6.979 3.097 -21.374 1.00 40.31 H new ATOM 0 HG2 GLU A 88 -4.679 3.003 -22.492 1.00 34.20 H new ATOM 0 HG3 GLU A 88 -4.003 2.676 -20.908 1.00 34.20 H new ATOM 1449 N LEU A 89 -7.663 5.557 -19.284 1.00 43.43 N ATOM 1450 CA LEU A 89 -8.973 6.073 -18.832 1.00 0.11 C ATOM 1451 C LEU A 89 -9.144 7.559 -19.191 1.00 52.44 C ATOM 1452 O LEU A 89 -10.190 7.946 -19.701 1.00 30.13 O ATOM 1453 CB LEU A 89 -9.181 5.855 -17.298 1.00 10.25 C ATOM 1454 CG LEU A 89 -9.340 4.372 -16.826 1.00 53.43 C ATOM 1455 CD1 LEU A 89 -9.471 4.283 -15.290 1.00 21.44 C ATOM 1456 CD2 LEU A 89 -10.523 3.675 -17.534 1.00 10.55 C ATOM 0 H LEU A 89 -7.077 5.214 -18.523 1.00 43.43 H new ATOM 0 HA LEU A 89 -9.738 5.503 -19.359 1.00 0.11 H new ATOM 0 HB2 LEU A 89 -8.333 6.293 -16.772 1.00 10.25 H new ATOM 0 HB3 LEU A 89 -10.068 6.409 -16.990 1.00 10.25 H new ATOM 0 HG LEU A 89 -8.432 3.840 -17.110 1.00 53.43 H new ATOM 0 HD11 LEU A 89 -9.580 3.240 -14.994 1.00 21.44 H new ATOM 0 HD12 LEU A 89 -8.579 4.701 -14.824 1.00 21.44 H new ATOM 0 HD13 LEU A 89 -10.347 4.845 -14.966 1.00 21.44 H new ATOM 0 HD21 LEU A 89 -10.603 2.647 -17.182 1.00 10.55 H new ATOM 0 HD22 LEU A 89 -11.447 4.209 -17.310 1.00 10.55 H new ATOM 0 HD23 LEU A 89 -10.355 3.677 -18.611 1.00 10.55 H new ATOM 1468 N SER A 90 -8.093 8.369 -18.958 1.00 4.34 N ATOM 1469 CA SER A 90 -8.105 9.809 -19.295 1.00 75.54 C ATOM 1470 C SER A 90 -8.099 10.015 -20.820 1.00 73.23 C ATOM 1471 O SER A 90 -8.657 10.999 -21.318 1.00 22.52 O ATOM 1472 CB SER A 90 -6.914 10.539 -18.639 1.00 2.30 C ATOM 1473 OG SER A 90 -5.668 10.022 -19.069 1.00 34.35 O ATOM 0 H SER A 90 -7.221 8.050 -18.536 1.00 4.34 H new ATOM 0 HA SER A 90 -9.025 10.239 -18.898 1.00 75.54 H new ATOM 0 HB2 SER A 90 -6.966 11.602 -18.876 1.00 2.30 H new ATOM 0 HB3 SER A 90 -6.988 10.450 -17.555 1.00 2.30 H new ATOM 0 HG SER A 90 -5.810 9.171 -19.534 1.00 34.35 H new ATOM 1819 N MET A1001 -13.462 9.000 -9.184 1.00 13.13 N ATOM 1820 CA MET A1001 -12.533 7.946 -9.635 1.00 72.24 C ATOM 1821 C MET A1001 -11.104 8.502 -9.799 1.00 55.34 C ATOM 1822 O MET A1001 -10.147 7.948 -9.244 1.00 14.03 O ATOM 1823 CB MET A1001 -13.026 7.348 -10.981 1.00 22.44 C ATOM 1824 CG MET A1001 -12.151 6.218 -11.553 1.00 71.53 C ATOM 1825 SD MET A1001 -12.705 5.669 -13.185 1.00 42.05 S ATOM 1826 CE MET A1001 -12.443 7.141 -14.186 1.00 2.24 C ATOM 0 HA MET A1001 -12.510 7.163 -8.877 1.00 72.24 H new ATOM 0 HB2 MET A1001 -14.038 6.968 -10.843 1.00 22.44 H new ATOM 0 HB3 MET A1001 -13.084 8.150 -11.717 1.00 22.44 H new ATOM 0 HG2 MET A1001 -11.119 6.561 -11.620 1.00 71.53 H new ATOM 0 HG3 MET A1001 -12.162 5.372 -10.866 1.00 71.53 H new ATOM 0 HE1 MET A1001 -12.397 6.862 -15.239 1.00 2.24 H new ATOM 0 HE2 MET A1001 -13.267 7.838 -14.031 1.00 2.24 H new ATOM 0 HE3 MET A1001 -11.506 7.617 -13.895 1.00 2.24 H new ATOM 1836 N THR A1002 -10.992 9.618 -10.539 1.00 34.34 N ATOM 1837 CA THR A1002 -9.703 10.225 -10.882 1.00 45.02 C ATOM 1838 C THR A1002 -9.043 10.838 -9.648 1.00 5.12 C ATOM 1839 O THR A1002 -7.901 10.515 -9.355 1.00 63.23 O ATOM 1840 CB THR A1002 -9.862 11.299 -12.009 1.00 45.22 C ATOM 1841 OG1 THR A1002 -10.852 12.275 -11.634 1.00 21.32 O ATOM 1842 CG2 THR A1002 -10.260 10.641 -13.342 1.00 72.35 C ATOM 0 H THR A1002 -11.795 10.122 -10.914 1.00 34.34 H new ATOM 0 HA THR A1002 -9.057 9.433 -11.260 1.00 45.02 H new ATOM 0 HB THR A1002 -8.900 11.795 -12.139 1.00 45.22 H new ATOM 0 HG1 THR A1002 -10.940 12.942 -12.347 1.00 21.32 H new ATOM 0 HG21 THR A1002 -10.364 11.408 -14.109 1.00 72.35 H new ATOM 0 HG22 THR A1002 -9.489 9.931 -13.641 1.00 72.35 H new ATOM 0 HG23 THR A1002 -11.208 10.118 -13.221 1.00 72.35 H new ATOM 1850 N THR A1003 -9.791 11.685 -8.912 1.00 30.23 N ATOM 1851 CA THR A1003 -9.271 12.381 -7.720 1.00 43.43 C ATOM 1852 C THR A1003 -8.783 11.379 -6.643 1.00 11.24 C ATOM 1853 O THR A1003 -7.700 11.566 -6.058 1.00 2.31 O ATOM 1854 CB THR A1003 -10.341 13.341 -7.120 1.00 24.12 C ATOM 1855 OG1 THR A1003 -10.824 14.216 -8.152 1.00 13.54 O ATOM 1856 CG2 THR A1003 -9.780 14.202 -5.969 1.00 44.53 C ATOM 0 H THR A1003 -10.764 11.904 -9.126 1.00 30.23 H new ATOM 0 HA THR A1003 -8.415 12.974 -8.041 1.00 43.43 H new ATOM 0 HB THR A1003 -11.143 12.722 -6.718 1.00 24.12 H new ATOM 0 HG1 THR A1003 -11.499 14.821 -7.779 1.00 13.54 H new ATOM 0 HG21 THR A1003 -10.565 14.853 -5.586 1.00 44.53 H new ATOM 0 HG22 THR A1003 -9.424 13.553 -5.169 1.00 44.53 H new ATOM 0 HG23 THR A1003 -8.953 14.809 -6.338 1.00 44.53 H new ATOM 1864 N ARG A1004 -9.583 10.305 -6.419 1.00 52.54 N ATOM 1865 CA ARG A1004 -9.215 9.214 -5.498 1.00 50.32 C ATOM 1866 C ARG A1004 -7.919 8.540 -5.954 1.00 70.42 C ATOM 1867 O ARG A1004 -6.937 8.574 -5.233 1.00 63.52 O ATOM 1868 CB ARG A1004 -10.346 8.152 -5.359 1.00 73.14 C ATOM 1869 CG ARG A1004 -11.480 8.536 -4.388 1.00 62.35 C ATOM 1870 CD ARG A1004 -12.485 7.388 -4.191 1.00 0.40 C ATOM 1871 NE ARG A1004 -13.524 7.715 -3.199 1.00 32.45 N ATOM 1872 CZ ARG A1004 -14.103 6.823 -2.374 1.00 73.45 C ATOM 1873 NH1 ARG A1004 -13.748 5.538 -2.397 1.00 43.40 N ATOM 1874 NH2 ARG A1004 -15.032 7.226 -1.521 1.00 71.43 N ATOM 0 H ARG A1004 -10.489 10.177 -6.869 1.00 52.54 H new ATOM 0 HA ARG A1004 -9.063 9.664 -4.517 1.00 50.32 H new ATOM 0 HB2 ARG A1004 -10.776 7.970 -6.344 1.00 73.14 H new ATOM 0 HB3 ARG A1004 -9.904 7.213 -5.026 1.00 73.14 H new ATOM 0 HG2 ARG A1004 -11.053 8.813 -3.424 1.00 62.35 H new ATOM 0 HG3 ARG A1004 -12.002 9.413 -4.770 1.00 62.35 H new ATOM 0 HD2 ARG A1004 -12.958 7.155 -5.145 1.00 0.40 H new ATOM 0 HD3 ARG A1004 -11.952 6.492 -3.873 1.00 0.40 H new ATOM 0 HE ARG A1004 -13.826 8.687 -3.133 1.00 32.45 H new ATOM 0 HH11 ARG A1004 -13.029 5.219 -3.046 1.00 43.40 H new ATOM 0 HH12 ARG A1004 -14.196 4.874 -1.766 1.00 43.40 H new ATOM 0 HH21 ARG A1004 -15.306 8.208 -1.491 1.00 71.43 H new ATOM 0 HH22 ARG A1004 -15.474 6.554 -0.894 1.00 71.43 H new ATOM 1888 N LEU A1005 -7.923 7.978 -7.180 1.00 1.53 N ATOM 1889 CA LEU A1005 -6.797 7.174 -7.689 1.00 41.40 C ATOM 1890 C LEU A1005 -5.504 7.999 -7.905 1.00 32.20 C ATOM 1891 O LEU A1005 -4.416 7.429 -7.862 1.00 65.32 O ATOM 1892 CB LEU A1005 -7.193 6.399 -8.980 1.00 73.13 C ATOM 1893 CG LEU A1005 -8.113 5.149 -8.787 1.00 42.32 C ATOM 1894 CD1 LEU A1005 -8.440 4.479 -10.140 1.00 64.11 C ATOM 1895 CD2 LEU A1005 -7.475 4.134 -7.817 1.00 44.15 C ATOM 0 H LEU A1005 -8.698 8.068 -7.837 1.00 1.53 H new ATOM 0 HA LEU A1005 -6.568 6.448 -6.909 1.00 41.40 H new ATOM 0 HB2 LEU A1005 -7.696 7.093 -9.654 1.00 73.13 H new ATOM 0 HB3 LEU A1005 -6.279 6.077 -9.479 1.00 73.13 H new ATOM 0 HG LEU A1005 -9.049 5.496 -8.349 1.00 42.32 H new ATOM 0 HD11 LEU A1005 -9.081 3.613 -9.972 1.00 64.11 H new ATOM 0 HD12 LEU A1005 -8.955 5.192 -10.784 1.00 64.11 H new ATOM 0 HD13 LEU A1005 -7.515 4.158 -10.620 1.00 64.11 H new ATOM 0 HD21 LEU A1005 -8.137 3.275 -7.702 1.00 44.15 H new ATOM 0 HD22 LEU A1005 -6.516 3.802 -8.216 1.00 44.15 H new ATOM 0 HD23 LEU A1005 -7.320 4.606 -6.847 1.00 44.15 H new ATOM 1907 N THR A1006 -5.615 9.325 -8.121 1.00 24.43 N ATOM 1908 CA THR A1006 -4.431 10.209 -8.232 1.00 32.21 C ATOM 1909 C THR A1006 -3.839 10.478 -6.832 1.00 14.33 C ATOM 1910 O THR A1006 -2.616 10.354 -6.634 1.00 62.31 O ATOM 1911 CB THR A1006 -4.757 11.559 -8.955 1.00 1.45 C ATOM 1912 OG1 THR A1006 -5.857 12.222 -8.314 1.00 5.23 O ATOM 1913 CG2 THR A1006 -5.071 11.349 -10.451 1.00 13.21 C ATOM 0 H THR A1006 -6.507 9.808 -8.222 1.00 24.43 H new ATOM 0 HA THR A1006 -3.695 9.690 -8.846 1.00 32.21 H new ATOM 0 HB THR A1006 -3.868 12.185 -8.883 1.00 1.45 H new ATOM 0 HG1 THR A1006 -6.694 11.772 -8.553 1.00 5.23 H new ATOM 0 HG21 THR A1006 -5.292 12.310 -10.915 1.00 13.21 H new ATOM 0 HG22 THR A1006 -4.210 10.897 -10.944 1.00 13.21 H new ATOM 0 HG23 THR A1006 -5.934 10.691 -10.553 1.00 13.21 H new ATOM 1921 N ARG A1007 -4.731 10.815 -5.859 1.00 33.41 N ATOM 1922 CA ARG A1007 -4.348 10.978 -4.430 1.00 73.21 C ATOM 1923 C ARG A1007 -3.755 9.657 -3.886 1.00 21.41 C ATOM 1924 O ARG A1007 -2.821 9.651 -3.080 1.00 65.43 O ATOM 1925 CB ARG A1007 -5.574 11.378 -3.568 1.00 35.54 C ATOM 1926 CG ARG A1007 -5.243 11.706 -2.088 1.00 11.14 C ATOM 1927 CD ARG A1007 -6.495 11.772 -1.191 1.00 52.01 C ATOM 1928 NE ARG A1007 -7.568 12.608 -1.746 1.00 25.04 N ATOM 1929 CZ ARG A1007 -7.616 13.949 -1.714 1.00 13.55 C ATOM 1930 NH1 ARG A1007 -6.639 14.667 -1.153 1.00 15.42 N ATOM 1931 NH2 ARG A1007 -8.668 14.568 -2.228 1.00 64.42 N ATOM 0 H ARG A1007 -5.721 10.979 -6.040 1.00 33.41 H new ATOM 0 HA ARG A1007 -3.602 11.770 -4.371 1.00 73.21 H new ATOM 0 HB2 ARG A1007 -6.052 12.247 -4.021 1.00 35.54 H new ATOM 0 HB3 ARG A1007 -6.300 10.565 -3.593 1.00 35.54 H new ATOM 0 HG2 ARG A1007 -4.562 10.949 -1.697 1.00 11.14 H new ATOM 0 HG3 ARG A1007 -4.719 12.661 -2.042 1.00 11.14 H new ATOM 0 HD2 ARG A1007 -6.875 10.762 -1.036 1.00 52.01 H new ATOM 0 HD3 ARG A1007 -6.212 12.160 -0.213 1.00 52.01 H new ATOM 0 HE ARG A1007 -8.346 12.126 -2.196 1.00 25.04 H new ATOM 0 HH11 ARG A1007 -5.835 14.197 -0.737 1.00 15.42 H new ATOM 0 HH12 ARG A1007 -6.697 15.685 -1.140 1.00 15.42 H new ATOM 0 HH21 ARG A1007 -9.427 14.026 -2.641 1.00 64.42 H new ATOM 0 HH22 ARG A1007 -8.719 15.587 -2.211 1.00 64.42 H new ATOM 1945 N TRP A1008 -4.311 8.551 -4.392 1.00 40.43 N ATOM 1946 CA TRP A1008 -3.932 7.184 -4.044 1.00 24.02 C ATOM 1947 C TRP A1008 -2.510 6.898 -4.545 1.00 3.44 C ATOM 1948 O TRP A1008 -1.665 6.531 -3.742 1.00 20.43 O ATOM 1949 CB TRP A1008 -5.005 6.217 -4.633 1.00 72.25 C ATOM 1950 CG TRP A1008 -4.589 4.789 -4.883 1.00 23.34 C ATOM 1951 CD1 TRP A1008 -4.102 4.280 -6.050 1.00 30.31 C ATOM 1952 CD2 TRP A1008 -4.672 3.687 -3.975 1.00 44.14 C ATOM 1953 NE1 TRP A1008 -3.854 2.950 -5.912 1.00 72.01 N ATOM 1954 CE2 TRP A1008 -4.202 2.556 -4.661 1.00 3.35 C ATOM 1955 CE3 TRP A1008 -5.085 3.546 -2.651 1.00 74.53 C ATOM 1956 CZ2 TRP A1008 -4.138 1.302 -4.080 1.00 43.42 C ATOM 1957 CZ3 TRP A1008 -5.026 2.299 -2.070 1.00 5.32 C ATOM 1958 CH2 TRP A1008 -4.559 1.190 -2.787 1.00 40.32 C ATOM 0 H TRP A1008 -5.064 8.588 -5.079 1.00 40.43 H new ATOM 0 HA TRP A1008 -3.908 7.035 -2.964 1.00 24.02 H new ATOM 0 HB2 TRP A1008 -5.857 6.206 -3.954 1.00 72.25 H new ATOM 0 HB3 TRP A1008 -5.355 6.636 -5.576 1.00 72.25 H new ATOM 0 HD1 TRP A1008 -3.937 4.850 -6.953 1.00 30.31 H new ATOM 0 HE1 TRP A1008 -3.467 2.344 -6.635 1.00 72.01 H new ATOM 0 HE3 TRP A1008 -5.444 4.398 -2.092 1.00 74.53 H new ATOM 0 HZ2 TRP A1008 -3.770 0.447 -4.627 1.00 43.42 H new ATOM 0 HZ3 TRP A1008 -5.345 2.174 -1.046 1.00 5.32 H new ATOM 0 HH2 TRP A1008 -4.532 0.224 -2.305 1.00 40.32 H new ATOM 1969 N LEU A1009 -2.243 7.136 -5.859 1.00 12.24 N ATOM 1970 CA LEU A1009 -0.919 6.860 -6.479 1.00 3.22 C ATOM 1971 C LEU A1009 0.197 7.725 -5.852 1.00 43.12 C ATOM 1972 O LEU A1009 1.329 7.252 -5.695 1.00 35.11 O ATOM 1973 CB LEU A1009 -0.946 7.073 -8.026 1.00 11.12 C ATOM 1974 CG LEU A1009 -1.751 6.032 -8.863 1.00 32.42 C ATOM 1975 CD1 LEU A1009 -1.685 6.366 -10.366 1.00 44.01 C ATOM 1976 CD2 LEU A1009 -1.272 4.591 -8.599 1.00 1.13 C ATOM 0 H LEU A1009 -2.930 7.519 -6.509 1.00 12.24 H new ATOM 0 HA LEU A1009 -0.699 5.811 -6.279 1.00 3.22 H new ATOM 0 HB2 LEU A1009 -1.358 8.062 -8.226 1.00 11.12 H new ATOM 0 HB3 LEU A1009 0.083 7.077 -8.387 1.00 11.12 H new ATOM 0 HG LEU A1009 -2.791 6.093 -8.543 1.00 32.42 H new ATOM 0 HD11 LEU A1009 -2.254 5.626 -10.929 1.00 44.01 H new ATOM 0 HD12 LEU A1009 -2.108 7.356 -10.538 1.00 44.01 H new ATOM 0 HD13 LEU A1009 -0.646 6.353 -10.696 1.00 44.01 H new ATOM 0 HD21 LEU A1009 -1.858 3.897 -9.201 1.00 1.13 H new ATOM 0 HD22 LEU A1009 -0.219 4.503 -8.866 1.00 1.13 H new ATOM 0 HD23 LEU A1009 -1.400 4.353 -7.543 1.00 1.13 H new ATOM 1988 N THR A1010 -0.128 8.989 -5.497 1.00 3.41 N ATOM 1989 CA THR A1010 0.854 9.897 -4.875 1.00 64.14 C ATOM 1990 C THR A1010 1.071 9.524 -3.386 1.00 51.10 C ATOM 1991 O THR A1010 2.157 9.744 -2.842 1.00 34.25 O ATOM 1992 CB THR A1010 0.462 11.409 -5.046 1.00 71.34 C ATOM 1993 OG1 THR A1010 1.570 12.253 -4.699 1.00 70.44 O ATOM 1994 CG2 THR A1010 -0.747 11.817 -4.198 1.00 2.42 C ATOM 0 H THR A1010 -1.053 9.397 -5.630 1.00 3.41 H new ATOM 0 HA THR A1010 1.800 9.768 -5.400 1.00 64.14 H new ATOM 0 HB THR A1010 0.193 11.534 -6.095 1.00 71.34 H new ATOM 0 HG1 THR A1010 1.314 13.192 -4.811 1.00 70.44 H new ATOM 0 HG21 THR A1010 -0.966 12.872 -4.361 1.00 2.42 H new ATOM 0 HG22 THR A1010 -1.611 11.218 -4.485 1.00 2.42 H new ATOM 0 HG23 THR A1010 -0.525 11.651 -3.144 1.00 2.42 H new ATOM 2002 N ALA A1011 0.034 8.922 -2.751 1.00 74.13 N ATOM 2003 CA ALA A1011 0.134 8.375 -1.380 1.00 34.13 C ATOM 2004 C ALA A1011 0.890 7.031 -1.372 1.00 11.22 C ATOM 2005 O ALA A1011 1.497 6.669 -0.353 1.00 75.24 O ATOM 2006 CB ALA A1011 -1.260 8.207 -0.754 1.00 60.32 C ATOM 0 H ALA A1011 -0.887 8.804 -3.173 1.00 74.13 H new ATOM 0 HA ALA A1011 0.699 9.088 -0.780 1.00 34.13 H new ATOM 0 HB1 ALA A1011 -1.160 7.803 0.254 1.00 60.32 H new ATOM 0 HB2 ALA A1011 -1.758 9.176 -0.709 1.00 60.32 H new ATOM 0 HB3 ALA A1011 -1.852 7.523 -1.362 1.00 60.32 H new ATOM 2012 N LEU A1012 0.831 6.293 -2.508 1.00 51.52 N ATOM 2013 CA LEU A1012 1.585 5.037 -2.687 1.00 20.52 C ATOM 2014 C LEU A1012 3.076 5.359 -2.800 1.00 50.43 C ATOM 2015 O LEU A1012 3.901 4.793 -2.096 1.00 25.51 O ATOM 2016 CB LEU A1012 1.133 4.248 -3.960 1.00 22.43 C ATOM 2017 CG LEU A1012 -0.341 3.735 -4.007 1.00 54.33 C ATOM 2018 CD1 LEU A1012 -0.547 2.758 -5.183 1.00 74.11 C ATOM 2019 CD2 LEU A1012 -0.784 3.119 -2.666 1.00 2.03 C ATOM 0 H LEU A1012 0.264 6.552 -3.316 1.00 51.52 H new ATOM 0 HA LEU A1012 1.387 4.407 -1.820 1.00 20.52 H new ATOM 0 HB2 LEU A1012 1.293 4.889 -4.827 1.00 22.43 H new ATOM 0 HB3 LEU A1012 1.792 3.387 -4.073 1.00 22.43 H new ATOM 0 HG LEU A1012 -0.983 4.600 -4.177 1.00 54.33 H new ATOM 0 HD11 LEU A1012 -1.582 2.415 -5.194 1.00 74.11 H new ATOM 0 HD12 LEU A1012 -0.323 3.266 -6.121 1.00 74.11 H new ATOM 0 HD13 LEU A1012 0.118 1.902 -5.066 1.00 74.11 H new ATOM 0 HD21 LEU A1012 -1.816 2.776 -2.746 1.00 2.03 H new ATOM 0 HD22 LEU A1012 -0.139 2.275 -2.423 1.00 2.03 H new ATOM 0 HD23 LEU A1012 -0.711 3.870 -1.879 1.00 2.03 H new ATOM 2031 N ASP A1013 3.379 6.317 -3.695 1.00 24.24 N ATOM 2032 CA ASP A1013 4.736 6.829 -3.930 1.00 42.42 C ATOM 2033 C ASP A1013 5.314 7.447 -2.638 1.00 3.44 C ATOM 2034 O ASP A1013 6.511 7.316 -2.365 1.00 62.43 O ATOM 2035 CB ASP A1013 4.716 7.878 -5.076 1.00 41.32 C ATOM 2036 CG ASP A1013 6.113 8.447 -5.402 1.00 31.42 C ATOM 2037 OD1 ASP A1013 6.843 7.832 -6.207 1.00 51.13 O ATOM 2038 OD2 ASP A1013 6.485 9.511 -4.859 1.00 21.21 O ATOM 0 H ASP A1013 2.675 6.762 -4.283 1.00 24.24 H new ATOM 0 HA ASP A1013 5.378 5.999 -4.226 1.00 42.42 H new ATOM 0 HB2 ASP A1013 4.299 7.419 -5.973 1.00 41.32 H new ATOM 0 HB3 ASP A1013 4.052 8.697 -4.799 1.00 41.32 H new ATOM 2043 N ASN A1014 4.433 8.118 -1.858 1.00 23.20 N ATOM 2044 CA ASN A1014 4.780 8.684 -0.544 1.00 15.32 C ATOM 2045 C ASN A1014 5.190 7.574 0.438 1.00 1.51 C ATOM 2046 O ASN A1014 6.217 7.699 1.091 1.00 33.31 O ATOM 2047 CB ASN A1014 3.611 9.527 0.038 1.00 34.33 C ATOM 2048 CG ASN A1014 3.827 9.931 1.505 1.00 72.13 C ATOM 2049 OD1 ASN A1014 4.512 10.908 1.798 1.00 33.31 O ATOM 2050 ND2 ASN A1014 3.266 9.165 2.433 1.00 72.11 N ATOM 0 H ASN A1014 3.463 8.279 -2.128 1.00 23.20 H new ATOM 0 HA ASN A1014 5.631 9.350 -0.686 1.00 15.32 H new ATOM 0 HB2 ASN A1014 3.485 10.426 -0.565 1.00 34.33 H new ATOM 0 HB3 ASN A1014 2.685 8.957 -0.043 1.00 34.33 H new ATOM 0 HD21 ASN A1014 3.398 9.381 3.421 1.00 72.11 H new ATOM 0 HD22 ASN A1014 2.703 8.360 2.158 1.00 72.11 H new ATOM 2057 N PHE A1015 4.371 6.498 0.525 1.00 1.43 N ATOM 2058 CA PHE A1015 4.645 5.354 1.415 1.00 1.13 C ATOM 2059 C PHE A1015 5.976 4.711 1.038 1.00 31.24 C ATOM 2060 O PHE A1015 6.859 4.635 1.868 1.00 62.41 O ATOM 2061 CB PHE A1015 3.489 4.324 1.341 1.00 70.51 C ATOM 2062 CG PHE A1015 3.801 2.942 1.940 1.00 20.32 C ATOM 2063 CD1 PHE A1015 3.872 1.823 1.126 1.00 72.42 C ATOM 2064 CD2 PHE A1015 4.001 2.759 3.307 1.00 22.51 C ATOM 2065 CE1 PHE A1015 4.138 0.574 1.631 1.00 44.52 C ATOM 2066 CE2 PHE A1015 4.270 1.505 3.823 1.00 53.30 C ATOM 2067 CZ PHE A1015 4.331 0.409 2.981 1.00 40.40 C ATOM 0 H PHE A1015 3.511 6.403 -0.016 1.00 1.43 H new ATOM 0 HA PHE A1015 4.713 5.709 2.443 1.00 1.13 H new ATOM 0 HB2 PHE A1015 2.622 4.738 1.856 1.00 70.51 H new ATOM 0 HB3 PHE A1015 3.207 4.194 0.296 1.00 70.51 H new ATOM 0 HD1 PHE A1015 3.714 1.936 0.064 1.00 72.42 H new ATOM 0 HD2 PHE A1015 3.945 3.608 3.972 1.00 22.51 H new ATOM 0 HE1 PHE A1015 4.195 -0.277 0.968 1.00 44.52 H new ATOM 0 HE2 PHE A1015 4.433 1.381 4.883 1.00 53.30 H new ATOM 0 HZ PHE A1015 4.530 -0.573 3.384 1.00 40.40 H new ATOM 2077 N GLU A1016 6.079 4.295 -0.235 1.00 53.22 N ATOM 2078 CA GLU A1016 7.289 3.732 -0.867 1.00 14.21 C ATOM 2079 C GLU A1016 8.568 4.500 -0.461 1.00 1.43 C ATOM 2080 O GLU A1016 9.487 3.927 0.150 1.00 44.54 O ATOM 2081 CB GLU A1016 7.085 3.810 -2.402 1.00 21.11 C ATOM 2082 CG GLU A1016 8.242 3.279 -3.270 1.00 14.34 C ATOM 2083 CD GLU A1016 8.060 3.621 -4.756 1.00 24.34 C ATOM 2084 OE1 GLU A1016 8.969 4.227 -5.368 1.00 41.22 O ATOM 2085 OE2 GLU A1016 6.990 3.318 -5.318 1.00 50.33 O ATOM 0 H GLU A1016 5.291 4.343 -0.880 1.00 53.22 H new ATOM 0 HA GLU A1016 7.426 2.703 -0.535 1.00 14.21 H new ATOM 0 HB2 GLU A1016 6.183 3.254 -2.656 1.00 21.11 H new ATOM 0 HB3 GLU A1016 6.904 4.851 -2.671 1.00 21.11 H new ATOM 0 HG2 GLU A1016 9.183 3.700 -2.915 1.00 14.34 H new ATOM 0 HG3 GLU A1016 8.313 2.197 -3.154 1.00 14.34 H new ATOM 2092 N ALA A1017 8.560 5.816 -0.746 1.00 12.51 N ATOM 2093 CA ALA A1017 9.707 6.708 -0.524 1.00 53.53 C ATOM 2094 C ALA A1017 10.044 6.840 0.971 1.00 63.52 C ATOM 2095 O ALA A1017 11.153 6.524 1.400 1.00 50.11 O ATOM 2096 CB ALA A1017 9.420 8.090 -1.135 1.00 64.05 C ATOM 0 H ALA A1017 7.748 6.291 -1.140 1.00 12.51 H new ATOM 0 HA ALA A1017 10.575 6.270 -1.016 1.00 53.53 H new ATOM 0 HB1 ALA A1017 10.274 8.746 -0.967 1.00 64.05 H new ATOM 0 HB2 ALA A1017 9.248 7.986 -2.206 1.00 64.05 H new ATOM 0 HB3 ALA A1017 8.535 8.519 -0.665 1.00 64.05 H new ATOM 2102 N LYS A1018 9.028 7.240 1.751 1.00 31.42 N ATOM 2103 CA LYS A1018 9.161 7.599 3.180 1.00 42.53 C ATOM 2104 C LYS A1018 9.509 6.368 4.044 1.00 13.22 C ATOM 2105 O LYS A1018 10.276 6.465 5.021 1.00 13.22 O ATOM 2106 CB LYS A1018 7.829 8.263 3.625 1.00 23.32 C ATOM 2107 CG LYS A1018 7.795 8.867 5.044 1.00 13.24 C ATOM 2108 CD LYS A1018 6.464 9.628 5.301 1.00 50.24 C ATOM 2109 CE LYS A1018 6.375 10.243 6.707 1.00 2.41 C ATOM 2110 NZ LYS A1018 6.332 9.208 7.769 1.00 32.45 N ATOM 0 H LYS A1018 8.072 7.326 1.405 1.00 31.42 H new ATOM 0 HA LYS A1018 9.985 8.299 3.317 1.00 42.53 H new ATOM 0 HB2 LYS A1018 7.588 9.053 2.913 1.00 23.32 H new ATOM 0 HB3 LYS A1018 7.037 7.518 3.554 1.00 23.32 H new ATOM 0 HG2 LYS A1018 7.911 8.074 5.782 1.00 13.24 H new ATOM 0 HG3 LYS A1018 8.637 9.548 5.172 1.00 13.24 H new ATOM 0 HD2 LYS A1018 6.357 10.419 4.559 1.00 50.24 H new ATOM 0 HD3 LYS A1018 5.629 8.942 5.159 1.00 50.24 H new ATOM 0 HE2 LYS A1018 7.233 10.895 6.872 1.00 2.41 H new ATOM 0 HE3 LYS A1018 5.483 10.867 6.773 1.00 2.41 H new ATOM 0 HZ1 LYS A1018 5.520 9.386 8.394 1.00 32.45 H new ATOM 0 HZ2 LYS A1018 6.235 8.268 7.334 1.00 32.45 H new ATOM 0 HZ3 LYS A1018 7.211 9.244 8.324 1.00 32.45 H new ATOM 2124 N MET A1019 8.986 5.201 3.639 1.00 11.41 N ATOM 2125 CA MET A1019 9.230 3.943 4.358 1.00 31.40 C ATOM 2126 C MET A1019 10.601 3.358 3.968 1.00 1.15 C ATOM 2127 O MET A1019 11.208 2.616 4.745 1.00 33.31 O ATOM 2128 CB MET A1019 8.098 2.893 4.149 1.00 70.22 C ATOM 2129 CG MET A1019 8.193 2.017 2.867 1.00 1.13 C ATOM 2130 SD MET A1019 7.737 0.304 3.180 1.00 31.01 S ATOM 2131 CE MET A1019 8.862 -0.093 4.517 1.00 30.04 C ATOM 0 H MET A1019 8.391 5.103 2.816 1.00 11.41 H new ATOM 0 HA MET A1019 9.233 4.183 5.421 1.00 31.40 H new ATOM 0 HB2 MET A1019 8.083 2.231 5.015 1.00 70.22 H new ATOM 0 HB3 MET A1019 7.143 3.419 4.133 1.00 70.22 H new ATOM 0 HG2 MET A1019 7.541 2.430 2.097 1.00 1.13 H new ATOM 0 HG3 MET A1019 9.210 2.055 2.477 1.00 1.13 H new ATOM 0 HE1 MET A1019 8.970 -1.175 4.593 1.00 30.04 H new ATOM 0 HE2 MET A1019 9.835 0.356 4.319 1.00 30.04 H new ATOM 0 HE3 MET A1019 8.466 0.298 5.454 1.00 30.04 H new ATOM 2141 N ALA A1020 11.064 3.667 2.737 1.00 33.44 N ATOM 2142 CA ALA A1020 12.457 3.399 2.331 1.00 23.01 C ATOM 2143 C ALA A1020 13.421 4.350 3.076 1.00 31.34 C ATOM 2144 O ALA A1020 14.593 4.022 3.284 1.00 55.51 O ATOM 2145 CB ALA A1020 12.613 3.535 0.807 1.00 42.41 C ATOM 0 H ALA A1020 10.494 4.101 2.011 1.00 33.44 H new ATOM 0 HA ALA A1020 12.710 2.374 2.602 1.00 23.01 H new ATOM 0 HB1 ALA A1020 13.647 3.334 0.528 1.00 42.41 H new ATOM 0 HB2 ALA A1020 11.957 2.821 0.309 1.00 42.41 H new ATOM 0 HB3 ALA A1020 12.346 4.547 0.503 1.00 42.41 H new ATOM 2151 N LEU A1021 12.905 5.537 3.469 1.00 1.45 N ATOM 2152 CA LEU A1021 13.664 6.540 4.245 1.00 4.13 C ATOM 2153 C LEU A1021 13.583 6.293 5.766 1.00 31.52 C ATOM 2154 O LEU A1021 14.285 6.986 6.513 1.00 20.31 O ATOM 2155 CB LEU A1021 13.175 7.981 3.910 1.00 41.01 C ATOM 2156 CG LEU A1021 13.418 8.464 2.447 1.00 10.21 C ATOM 2157 CD1 LEU A1021 12.797 9.857 2.209 1.00 2.31 C ATOM 2158 CD2 LEU A1021 14.920 8.438 2.089 1.00 71.00 C ATOM 0 H LEU A1021 11.950 5.825 3.256 1.00 1.45 H new ATOM 0 HA LEU A1021 14.709 6.438 3.953 1.00 4.13 H new ATOM 0 HB2 LEU A1021 12.106 8.038 4.117 1.00 41.01 H new ATOM 0 HB3 LEU A1021 13.669 8.677 4.588 1.00 41.01 H new ATOM 0 HG LEU A1021 12.915 7.766 1.778 1.00 10.21 H new ATOM 0 HD11 LEU A1021 12.983 10.167 1.181 1.00 2.31 H new ATOM 0 HD12 LEU A1021 11.722 9.811 2.386 1.00 2.31 H new ATOM 0 HD13 LEU A1021 13.247 10.577 2.892 1.00 2.31 H new ATOM 0 HD21 LEU A1021 15.055 8.780 1.063 1.00 71.00 H new ATOM 0 HD22 LEU A1021 15.467 9.095 2.766 1.00 71.00 H new ATOM 0 HD23 LEU A1021 15.299 7.421 2.185 1.00 71.00 H new ATOM 2170 N LEU A1022 12.666 5.385 6.218 1.00 73.12 N ATOM 2171 CA LEU A1022 12.640 4.880 7.628 1.00 24.42 C ATOM 2172 C LEU A1022 14.065 4.532 8.136 1.00 33.51 C ATOM 2173 O LEU A1022 14.660 3.549 7.668 1.00 3.31 O ATOM 2174 CB LEU A1022 11.729 3.614 7.787 1.00 44.44 C ATOM 2175 CG LEU A1022 10.187 3.836 7.869 1.00 41.44 C ATOM 2176 CD1 LEU A1022 9.445 2.481 7.933 1.00 14.40 C ATOM 2177 CD2 LEU A1022 9.814 4.724 9.070 1.00 31.43 C ATOM 0 H LEU A1022 11.936 4.988 5.627 1.00 73.12 H new ATOM 0 HA LEU A1022 12.226 5.691 8.227 1.00 24.42 H new ATOM 0 HB2 LEU A1022 11.928 2.950 6.946 1.00 44.44 H new ATOM 0 HB3 LEU A1022 12.041 3.088 8.689 1.00 44.44 H new ATOM 0 HG LEU A1022 9.874 4.356 6.964 1.00 41.44 H new ATOM 0 HD11 LEU A1022 8.371 2.657 7.990 1.00 14.40 H new ATOM 0 HD12 LEU A1022 9.671 1.900 7.039 1.00 14.40 H new ATOM 0 HD13 LEU A1022 9.770 1.930 8.816 1.00 14.40 H new ATOM 0 HD21 LEU A1022 8.733 4.860 9.100 1.00 31.43 H new ATOM 0 HD22 LEU A1022 10.145 4.247 9.992 1.00 31.43 H new ATOM 0 HD23 LEU A1022 10.299 5.695 8.969 1.00 31.43 H new