USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 970 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 NoAdj-H: A 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Set 1.1: A 15 ASN : amide:sc= 0.219 K(o=0.22,f=-3.7!) USER MOD Set 1.2: A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 179:sc= 1.4 (180deg=1.39) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 29:sc= 0.73 USER MOD Single : A 11 SER OG : rot 40:sc= 1.6 USER MOD Single : A 19 TYR OH : rot 100:sc= 0 USER MOD Single : A 21 THR OG1 : rot -129:sc= 1.21 USER MOD Single : A 24 ASN : amide:sc= -0.091 K(o=-0.091,f=-4.9!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -143:sc= 1.06 (180deg=-2!) USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= 2.52 (180deg=2.45) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -170:sc=-0.00947 (180deg=-0.151) USER MOD Single : A 72 LYS NZ :NH3+ -111:sc= 0.122 (180deg=-0.136!) USER MOD Single : A 78 LYS NZ :NH3+ -136:sc= 0.0291 (180deg=-1.09) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -165:sc= 1.4 (180deg=1.23) USER MOD Single : A 94 LYS NZ :NH3+ 171:sc= 0.991 (180deg=0.976) USER MOD Single : A 109 LYS NZ :NH3+ -151:sc= -0.805 (180deg=-2.04!) USER MOD Single : A 112 LYS NZ :NH3+ 163:sc= 0.976 (180deg=-0.459!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.730 3.341 19.714 1.00 12.31 N ATOM 2 CA GLY A 1 4.618 4.791 19.465 1.00 12.92 C ATOM 3 C GLY A 1 3.756 4.948 18.240 1.00 12.26 C ATOM 4 O GLY A 1 2.612 4.522 18.276 1.00 12.49 O ATOM 0 H1 GLY A 1 5.333 3.177 20.545 1.00 12.31 H new ATOM 0 H2 GLY A 1 3.784 2.945 19.889 1.00 12.31 H new ATOM 0 H3 GLY A 1 5.151 2.878 18.884 1.00 12.31 H new ATOM 0 HA2 GLY A 1 4.173 5.298 20.321 1.00 12.92 H new ATOM 0 HA3 GLY A 1 5.601 5.235 19.307 1.00 12.92 H new ATOM 10 N SER A 2 4.346 5.346 17.116 1.00 11.66 N ATOM 11 CA SER A 2 4.101 4.598 15.874 1.00 10.33 C ATOM 12 C SER A 2 4.569 3.131 16.028 1.00 8.59 C ATOM 13 O SER A 2 5.239 2.788 17.014 1.00 8.73 O ATOM 14 CB SER A 2 4.859 5.281 14.724 1.00 10.65 C ATOM 15 OG SER A 2 6.212 5.513 15.096 1.00 11.21 O ATOM 0 H SER A 2 4.972 6.147 17.032 1.00 11.66 H new ATOM 0 HA SER A 2 3.033 4.592 15.656 1.00 10.33 H new ATOM 0 HB2 SER A 2 4.822 4.655 13.832 1.00 10.65 H new ATOM 0 HB3 SER A 2 4.377 6.225 14.471 1.00 10.65 H new ATOM 0 HG SER A 2 6.685 5.947 14.355 1.00 11.21 H new ATOM 21 N PHE A 3 4.231 2.266 15.069 1.00 7.38 N ATOM 22 CA PHE A 3 4.674 0.872 15.024 1.00 5.91 C ATOM 23 C PHE A 3 4.906 0.492 13.558 1.00 4.88 C ATOM 24 O PHE A 3 3.977 0.573 12.759 1.00 5.42 O ATOM 25 CB PHE A 3 3.617 -0.031 15.685 1.00 6.17 C ATOM 26 CG PHE A 3 3.407 0.216 17.171 1.00 7.11 C ATOM 27 CD1 PHE A 3 4.241 -0.412 18.114 1.00 7.23 C ATOM 28 CD2 PHE A 3 2.374 1.066 17.617 1.00 8.46 C ATOM 29 CE1 PHE A 3 4.033 -0.208 19.492 1.00 8.53 C ATOM 30 CE2 PHE A 3 2.170 1.275 18.993 1.00 9.60 C ATOM 31 CZ PHE A 3 2.991 0.628 19.933 1.00 9.58 C ATOM 0 H PHE A 3 3.629 2.521 14.286 1.00 7.38 H new ATOM 0 HA PHE A 3 5.605 0.741 15.576 1.00 5.91 H new ATOM 0 HB2 PHE A 3 2.667 0.109 15.170 1.00 6.17 H new ATOM 0 HB3 PHE A 3 3.907 -1.072 15.541 1.00 6.17 H new ATOM 0 HD1 PHE A 3 5.044 -1.053 17.780 1.00 7.23 H new ATOM 0 HD2 PHE A 3 1.736 1.559 16.898 1.00 8.46 H new ATOM 0 HE1 PHE A 3 4.675 -0.694 20.212 1.00 8.53 H new ATOM 0 HE2 PHE A 3 1.382 1.933 19.328 1.00 9.60 H new ATOM 0 HZ PHE A 3 2.822 0.772 20.990 1.00 9.58 H new ATOM 41 N THR A 4 6.147 0.127 13.210 1.00 4.30 N ATOM 42 CA THR A 4 6.572 -0.127 11.823 1.00 4.05 C ATOM 43 C THR A 4 6.125 -1.520 11.378 1.00 2.69 C ATOM 44 O THR A 4 6.868 -2.497 11.515 1.00 3.26 O ATOM 45 CB THR A 4 8.084 0.079 11.656 1.00 5.56 C ATOM 46 OG1 THR A 4 8.706 -0.835 12.523 1.00 5.74 O ATOM 47 CG2 THR A 4 8.571 1.485 12.000 1.00 7.26 C ATOM 0 H THR A 4 6.895 -0.002 13.891 1.00 4.30 H new ATOM 0 HA THR A 4 6.086 0.599 11.171 1.00 4.05 H new ATOM 0 HB THR A 4 8.331 -0.071 10.605 1.00 5.56 H new ATOM 0 HG1 THR A 4 8.133 -1.622 12.635 1.00 5.74 H new ATOM 0 HG21 THR A 4 9.650 1.542 11.854 1.00 7.26 H new ATOM 0 HG22 THR A 4 8.078 2.210 11.352 1.00 7.26 H new ATOM 0 HG23 THR A 4 8.333 1.708 13.040 1.00 7.26 H new ATOM 55 N GLU A 5 4.897 -1.587 10.885 1.00 1.74 N ATOM 56 CA GLU A 5 4.225 -2.758 10.323 1.00 1.38 C ATOM 57 C GLU A 5 3.297 -2.277 9.189 1.00 1.45 C ATOM 58 O GLU A 5 3.355 -1.109 8.798 1.00 1.80 O ATOM 59 CB GLU A 5 3.464 -3.545 11.408 1.00 2.04 C ATOM 60 CG GLU A 5 3.415 -5.045 11.081 1.00 3.41 C ATOM 61 CD GLU A 5 2.280 -5.740 11.824 1.00 4.70 C ATOM 62 OE1 GLU A 5 2.458 -5.980 13.036 1.00 5.23 O ATOM 63 OE2 GLU A 5 1.249 -6.002 11.164 1.00 5.84 O ATOM 0 H GLU A 5 4.296 -0.763 10.864 1.00 1.74 H new ATOM 0 HA GLU A 5 4.959 -3.453 9.916 1.00 1.38 H new ATOM 0 HB2 GLU A 5 3.948 -3.397 12.374 1.00 2.04 H new ATOM 0 HB3 GLU A 5 2.449 -3.157 11.497 1.00 2.04 H new ATOM 0 HG2 GLU A 5 3.286 -5.181 10.007 1.00 3.41 H new ATOM 0 HG3 GLU A 5 4.365 -5.508 11.349 1.00 3.41 H new ATOM 70 N GLY A 6 2.482 -3.162 8.612 1.00 1.51 N ATOM 71 CA GLY A 6 1.413 -2.755 7.702 1.00 1.52 C ATOM 72 C GLY A 6 0.051 -2.706 8.390 1.00 1.07 C ATOM 73 O GLY A 6 -0.101 -3.155 9.522 1.00 1.08 O ATOM 0 H GLY A 6 2.544 -4.169 8.761 1.00 1.51 H new ATOM 0 HA2 GLY A 6 1.645 -1.773 7.290 1.00 1.52 H new ATOM 0 HA3 GLY A 6 1.369 -3.450 6.864 1.00 1.52 H new ATOM 77 N TRP A 7 -0.965 -2.262 7.644 1.00 1.04 N ATOM 78 CA TRP A 7 -2.378 -2.612 7.865 1.00 0.93 C ATOM 79 C TRP A 7 -3.228 -2.429 6.588 1.00 0.77 C ATOM 80 O TRP A 7 -2.731 -1.922 5.577 1.00 0.99 O ATOM 81 CB TRP A 7 -2.949 -1.913 9.108 1.00 1.13 C ATOM 82 CG TRP A 7 -3.221 -0.451 9.035 1.00 1.14 C ATOM 83 CD1 TRP A 7 -4.456 0.088 8.997 1.00 1.21 C ATOM 84 CD2 TRP A 7 -2.293 0.677 9.130 1.00 1.36 C ATOM 85 NE1 TRP A 7 -4.367 1.454 9.100 1.00 1.47 N ATOM 86 CE2 TRP A 7 -3.060 1.877 9.215 1.00 1.56 C ATOM 87 CE3 TRP A 7 -0.887 0.814 9.197 1.00 1.61 C ATOM 88 CZ2 TRP A 7 -2.473 3.135 9.402 1.00 1.92 C ATOM 89 CZ3 TRP A 7 -0.284 2.076 9.356 1.00 1.92 C ATOM 90 CH2 TRP A 7 -1.073 3.230 9.479 1.00 2.06 C ATOM 0 H TRP A 7 -0.829 -1.635 6.851 1.00 1.04 H new ATOM 0 HA TRP A 7 -2.428 -3.678 8.085 1.00 0.93 H new ATOM 0 HB2 TRP A 7 -3.882 -2.412 9.370 1.00 1.13 H new ATOM 0 HB3 TRP A 7 -2.255 -2.081 9.932 1.00 1.13 H new ATOM 0 HD1 TRP A 7 -5.376 -0.470 8.900 1.00 1.21 H new ATOM 0 HE1 TRP A 7 -5.172 2.081 9.092 1.00 1.47 H new ATOM 0 HE3 TRP A 7 -0.265 -0.066 9.125 1.00 1.61 H new ATOM 0 HZ2 TRP A 7 -3.087 4.019 9.486 1.00 1.92 H new ATOM 0 HZ3 TRP A 7 0.793 2.157 9.384 1.00 1.92 H new ATOM 0 HH2 TRP A 7 -0.604 4.191 9.633 1.00 2.06 H new ATOM 101 N VAL A 8 -4.495 -2.865 6.606 1.00 0.69 N ATOM 102 CA VAL A 8 -5.484 -2.623 5.525 1.00 0.72 C ATOM 103 C VAL A 8 -6.485 -1.558 5.983 1.00 0.98 C ATOM 104 O VAL A 8 -6.947 -1.640 7.119 1.00 1.12 O ATOM 105 CB VAL A 8 -6.289 -3.890 5.125 1.00 0.87 C ATOM 106 CG1 VAL A 8 -7.061 -3.660 3.810 1.00 1.01 C ATOM 107 CG2 VAL A 8 -5.414 -5.133 4.932 1.00 1.11 C ATOM 0 H VAL A 8 -4.877 -3.406 7.382 1.00 0.69 H new ATOM 0 HA VAL A 8 -4.912 -2.303 4.654 1.00 0.72 H new ATOM 0 HB VAL A 8 -6.969 -4.067 5.958 1.00 0.87 H new ATOM 0 HG11 VAL A 8 -7.616 -4.562 3.552 1.00 1.01 H new ATOM 0 HG12 VAL A 8 -7.756 -2.830 3.936 1.00 1.01 H new ATOM 0 HG13 VAL A 8 -6.357 -3.426 3.011 1.00 1.01 H new ATOM 0 HG21 VAL A 8 -6.041 -5.980 4.654 1.00 1.11 H new ATOM 0 HG22 VAL A 8 -4.686 -4.946 4.143 1.00 1.11 H new ATOM 0 HG23 VAL A 8 -4.892 -5.358 5.862 1.00 1.11 H new ATOM 117 N ARG A 9 -6.868 -0.625 5.093 1.00 1.04 N ATOM 118 CA ARG A 9 -7.856 0.437 5.377 1.00 1.24 C ATOM 119 C ARG A 9 -9.244 -0.092 5.757 1.00 1.50 C ATOM 120 O ARG A 9 -9.949 0.552 6.532 1.00 3.14 O ATOM 121 CB ARG A 9 -8.006 1.352 4.141 1.00 1.11 C ATOM 122 CG ARG A 9 -8.718 2.682 4.474 1.00 1.47 C ATOM 123 CD ARG A 9 -9.084 3.514 3.229 1.00 2.07 C ATOM 124 NE ARG A 9 -10.538 3.505 2.952 1.00 2.24 N ATOM 125 CZ ARG A 9 -11.471 4.092 3.696 1.00 2.69 C ATOM 126 NH1 ARG A 9 -11.169 4.899 4.682 1.00 3.51 N ATOM 127 NH2 ARG A 9 -12.747 3.858 3.506 1.00 3.79 N ATOM 0 H ARG A 9 -6.497 -0.585 4.144 1.00 1.04 H new ATOM 0 HA ARG A 9 -7.470 0.982 6.238 1.00 1.24 H new ATOM 0 HB2 ARG A 9 -7.020 1.565 3.728 1.00 1.11 H new ATOM 0 HB3 ARG A 9 -8.568 0.826 3.369 1.00 1.11 H new ATOM 0 HG2 ARG A 9 -9.626 2.467 5.037 1.00 1.47 H new ATOM 0 HG3 ARG A 9 -8.074 3.277 5.122 1.00 1.47 H new ATOM 0 HD2 ARG A 9 -8.750 4.542 3.371 1.00 2.07 H new ATOM 0 HD3 ARG A 9 -8.550 3.122 2.364 1.00 2.07 H new ATOM 0 HE ARG A 9 -10.851 3.006 2.119 1.00 2.24 H new ATOM 0 HH11 ARG A 9 -10.192 5.095 4.900 1.00 3.51 H new ATOM 0 HH12 ARG A 9 -11.911 5.332 5.232 1.00 3.51 H new ATOM 0 HH21 ARG A 9 -13.044 3.213 2.774 1.00 3.79 H new ATOM 0 HH22 ARG A 9 -13.443 4.321 4.090 1.00 3.79 H new ATOM 141 N PHE A 10 -9.634 -1.212 5.129 1.00 1.24 N ATOM 142 CA PHE A 10 -11.012 -1.673 4.930 1.00 1.27 C ATOM 143 C PHE A 10 -11.781 -0.690 4.019 1.00 1.38 C ATOM 144 O PHE A 10 -11.383 0.460 3.830 1.00 1.74 O ATOM 145 CB PHE A 10 -11.671 -1.962 6.297 1.00 1.35 C ATOM 146 CG PHE A 10 -13.167 -2.180 6.322 1.00 1.43 C ATOM 147 CD1 PHE A 10 -14.036 -1.073 6.236 1.00 2.08 C ATOM 148 CD2 PHE A 10 -13.695 -3.473 6.478 1.00 3.00 C ATOM 149 CE1 PHE A 10 -15.425 -1.268 6.201 1.00 2.09 C ATOM 150 CE2 PHE A 10 -15.086 -3.666 6.457 1.00 3.16 C ATOM 151 CZ PHE A 10 -15.948 -2.567 6.289 1.00 1.76 C ATOM 0 H PHE A 10 -8.954 -1.856 4.724 1.00 1.24 H new ATOM 0 HA PHE A 10 -11.031 -2.622 4.394 1.00 1.27 H new ATOM 0 HB2 PHE A 10 -11.196 -2.848 6.718 1.00 1.35 H new ATOM 0 HB3 PHE A 10 -11.442 -1.130 6.963 1.00 1.35 H new ATOM 0 HD1 PHE A 10 -13.631 -0.072 6.197 1.00 2.08 H new ATOM 0 HD2 PHE A 10 -13.033 -4.316 6.614 1.00 3.00 H new ATOM 0 HE1 PHE A 10 -16.089 -0.422 6.107 1.00 2.09 H new ATOM 0 HE2 PHE A 10 -15.494 -4.659 6.570 1.00 3.16 H new ATOM 0 HZ PHE A 10 -17.015 -2.724 6.228 1.00 1.76 H new ATOM 161 N SER A 11 -12.866 -1.145 3.395 1.00 1.38 N ATOM 162 CA SER A 11 -13.920 -0.336 2.806 1.00 1.63 C ATOM 163 C SER A 11 -15.133 -1.234 2.506 1.00 1.72 C ATOM 164 O SER A 11 -14.925 -2.406 2.182 1.00 1.82 O ATOM 165 CB SER A 11 -13.415 0.302 1.512 1.00 1.92 C ATOM 166 OG SER A 11 -12.627 1.448 1.794 1.00 3.12 O ATOM 0 H SER A 11 -13.038 -2.144 3.283 1.00 1.38 H new ATOM 0 HA SER A 11 -14.212 0.452 3.500 1.00 1.63 H new ATOM 0 HB2 SER A 11 -12.825 -0.422 0.949 1.00 1.92 H new ATOM 0 HB3 SER A 11 -14.261 0.581 0.884 1.00 1.92 H new ATOM 0 HG SER A 11 -12.058 1.270 2.572 1.00 3.12 H new ATOM 172 N PRO A 12 -16.376 -0.723 2.590 1.00 1.90 N ATOM 173 CA PRO A 12 -17.606 -1.487 2.368 1.00 2.07 C ATOM 174 C PRO A 12 -17.954 -1.583 0.870 1.00 2.05 C ATOM 175 O PRO A 12 -19.056 -1.249 0.438 1.00 2.94 O ATOM 176 CB PRO A 12 -18.657 -0.726 3.176 1.00 2.42 C ATOM 177 CG PRO A 12 -18.232 0.721 2.930 1.00 2.44 C ATOM 178 CD PRO A 12 -16.711 0.631 3.015 1.00 2.14 C ATOM 0 HA PRO A 12 -17.526 -2.527 2.685 1.00 2.07 H new ATOM 0 HB2 PRO A 12 -19.669 -0.923 2.823 1.00 2.42 H new ATOM 0 HB3 PRO A 12 -18.632 -0.988 4.234 1.00 2.42 H new ATOM 0 HG2 PRO A 12 -18.564 1.083 1.957 1.00 2.44 H new ATOM 0 HG3 PRO A 12 -18.642 1.398 3.679 1.00 2.44 H new ATOM 0 HD2 PRO A 12 -16.238 1.373 2.372 1.00 2.14 H new ATOM 0 HD3 PRO A 12 -16.363 0.821 4.030 1.00 2.14 H new ATOM 186 N GLY A 13 -16.968 -1.973 0.064 1.00 1.29 N ATOM 187 CA GLY A 13 -17.033 -1.949 -1.402 1.00 1.28 C ATOM 188 C GLY A 13 -16.239 -3.047 -2.127 1.00 1.00 C ATOM 189 O GLY A 13 -15.580 -3.869 -1.490 1.00 1.01 O ATOM 0 H GLY A 13 -16.078 -2.324 0.418 1.00 1.29 H new ATOM 0 HA2 GLY A 13 -18.078 -2.026 -1.701 1.00 1.28 H new ATOM 0 HA3 GLY A 13 -16.673 -0.980 -1.747 1.00 1.28 H new ATOM 193 N PRO A 14 -16.295 -3.062 -3.475 1.00 0.99 N ATOM 194 CA PRO A 14 -15.553 -4.004 -4.317 1.00 1.01 C ATOM 195 C PRO A 14 -14.055 -3.676 -4.387 1.00 0.82 C ATOM 196 O PRO A 14 -13.251 -4.544 -4.737 1.00 0.92 O ATOM 197 CB PRO A 14 -16.194 -3.875 -5.702 1.00 1.22 C ATOM 198 CG PRO A 14 -16.674 -2.426 -5.744 1.00 1.27 C ATOM 199 CD PRO A 14 -17.090 -2.159 -4.299 1.00 1.23 C ATOM 0 HA PRO A 14 -15.608 -5.015 -3.914 1.00 1.01 H new ATOM 0 HB2 PRO A 14 -15.477 -4.083 -6.496 1.00 1.22 H new ATOM 0 HB3 PRO A 14 -17.020 -4.575 -5.828 1.00 1.22 H new ATOM 0 HG2 PRO A 14 -15.884 -1.749 -6.068 1.00 1.27 H new ATOM 0 HG3 PRO A 14 -17.508 -2.297 -6.434 1.00 1.27 H new ATOM 0 HD2 PRO A 14 -16.906 -1.120 -4.026 1.00 1.23 H new ATOM 0 HD3 PRO A 14 -18.156 -2.342 -4.160 1.00 1.23 H new ATOM 207 N ASN A 15 -13.685 -2.432 -4.068 1.00 0.72 N ATOM 208 CA ASN A 15 -12.332 -1.947 -3.940 1.00 0.61 C ATOM 209 C ASN A 15 -11.941 -1.581 -2.496 1.00 0.57 C ATOM 210 O ASN A 15 -12.711 -1.037 -1.706 1.00 0.81 O ATOM 211 CB ASN A 15 -12.160 -0.743 -4.873 1.00 0.86 C ATOM 212 CG ASN A 15 -12.993 0.491 -4.513 1.00 1.50 C ATOM 213 OD1 ASN A 15 -14.121 0.411 -4.052 1.00 2.07 O ATOM 214 ND2 ASN A 15 -12.451 1.678 -4.719 1.00 2.47 N ATOM 0 H ASN A 15 -14.374 -1.702 -3.884 1.00 0.72 H new ATOM 0 HA ASN A 15 -11.659 -2.756 -4.223 1.00 0.61 H new ATOM 0 HB2 ASN A 15 -11.107 -0.460 -4.883 1.00 0.86 H new ATOM 0 HB3 ASN A 15 -12.417 -1.051 -5.887 1.00 0.86 H new ATOM 0 HD21 ASN A 15 -12.974 2.524 -4.493 1.00 2.47 H new ATOM 0 HD22 ASN A 15 -11.509 1.749 -5.104 1.00 2.47 H new ATOM 221 N ALA A 16 -10.670 -1.823 -2.200 1.00 0.53 N ATOM 222 CA ALA A 16 -9.998 -1.528 -0.938 1.00 0.56 C ATOM 223 C ALA A 16 -8.664 -0.798 -1.186 1.00 0.49 C ATOM 224 O ALA A 16 -8.318 -0.467 -2.322 1.00 0.43 O ATOM 225 CB ALA A 16 -9.839 -2.849 -0.165 1.00 0.65 C ATOM 0 H ALA A 16 -10.041 -2.257 -2.876 1.00 0.53 H new ATOM 0 HA ALA A 16 -10.590 -0.845 -0.329 1.00 0.56 H new ATOM 0 HB1 ALA A 16 -9.339 -2.657 0.784 1.00 0.65 H new ATOM 0 HB2 ALA A 16 -10.822 -3.281 0.024 1.00 0.65 H new ATOM 0 HB3 ALA A 16 -9.244 -3.546 -0.755 1.00 0.65 H new ATOM 231 N ALA A 17 -7.929 -0.514 -0.112 1.00 0.53 N ATOM 232 CA ALA A 17 -6.613 0.114 -0.147 1.00 0.48 C ATOM 233 C ALA A 17 -5.741 -0.401 1.013 1.00 0.50 C ATOM 234 O ALA A 17 -6.286 -0.697 2.080 1.00 0.62 O ATOM 235 CB ALA A 17 -6.801 1.636 -0.078 1.00 0.51 C ATOM 0 H ALA A 17 -8.245 -0.722 0.835 1.00 0.53 H new ATOM 0 HA ALA A 17 -6.097 -0.141 -1.073 1.00 0.48 H new ATOM 0 HB1 ALA A 17 -5.827 2.124 -0.103 1.00 0.51 H new ATOM 0 HB2 ALA A 17 -7.395 1.968 -0.929 1.00 0.51 H new ATOM 0 HB3 ALA A 17 -7.314 1.898 0.847 1.00 0.51 H new ATOM 241 N ALA A 18 -4.416 -0.484 0.839 1.00 0.50 N ATOM 242 CA ALA A 18 -3.504 -1.089 1.825 1.00 0.55 C ATOM 243 C ALA A 18 -2.213 -0.283 2.077 1.00 0.56 C ATOM 244 O ALA A 18 -1.706 0.410 1.197 1.00 0.49 O ATOM 245 CB ALA A 18 -3.195 -2.527 1.389 1.00 0.57 C ATOM 0 H ALA A 18 -3.942 -0.132 0.007 1.00 0.50 H new ATOM 0 HA ALA A 18 -4.015 -1.084 2.788 1.00 0.55 H new ATOM 0 HB1 ALA A 18 -2.520 -2.989 2.110 1.00 0.57 H new ATOM 0 HB2 ALA A 18 -4.121 -3.100 1.341 1.00 0.57 H new ATOM 0 HB3 ALA A 18 -2.724 -2.516 0.406 1.00 0.57 H new ATOM 251 N TYR A 19 -1.688 -0.415 3.297 1.00 0.77 N ATOM 252 CA TYR A 19 -0.669 0.438 3.911 1.00 0.71 C ATOM 253 C TYR A 19 0.520 -0.396 4.444 1.00 0.91 C ATOM 254 O TYR A 19 0.835 -0.332 5.626 1.00 1.51 O ATOM 255 CB TYR A 19 -1.343 1.217 5.062 1.00 0.85 C ATOM 256 CG TYR A 19 -2.589 2.019 4.731 1.00 0.96 C ATOM 257 CD1 TYR A 19 -2.526 3.094 3.828 1.00 1.87 C ATOM 258 CD2 TYR A 19 -3.798 1.754 5.409 1.00 2.21 C ATOM 259 CE1 TYR A 19 -3.637 3.942 3.649 1.00 2.07 C ATOM 260 CE2 TYR A 19 -4.913 2.588 5.222 1.00 2.49 C ATOM 261 CZ TYR A 19 -4.827 3.706 4.364 1.00 1.74 C ATOM 262 OH TYR A 19 -5.856 4.592 4.263 1.00 2.24 O ATOM 0 H TYR A 19 -1.981 -1.167 3.921 1.00 0.77 H new ATOM 0 HA TYR A 19 -0.265 1.124 3.166 1.00 0.71 H new ATOM 0 HB2 TYR A 19 -1.600 0.504 5.845 1.00 0.85 H new ATOM 0 HB3 TYR A 19 -0.605 1.900 5.483 1.00 0.85 H new ATOM 0 HD1 TYR A 19 -1.620 3.271 3.268 1.00 1.87 H new ATOM 0 HD2 TYR A 19 -3.866 0.906 6.075 1.00 2.21 H new ATOM 0 HE1 TYR A 19 -3.576 4.774 2.963 1.00 2.07 H new ATOM 0 HE2 TYR A 19 -5.838 2.373 5.736 1.00 2.49 H new ATOM 0 HH TYR A 19 -6.522 4.249 3.631 1.00 2.24 H new ATOM 272 N LEU A 20 1.129 -1.261 3.617 1.00 1.40 N ATOM 273 CA LEU A 20 2.171 -2.215 4.052 1.00 1.52 C ATOM 274 C LEU A 20 3.507 -1.554 4.473 1.00 1.36 C ATOM 275 O LEU A 20 3.791 -0.429 4.067 1.00 1.12 O ATOM 276 CB LEU A 20 2.323 -3.312 2.974 1.00 1.69 C ATOM 277 CG LEU A 20 2.883 -2.840 1.609 1.00 1.57 C ATOM 278 CD1 LEU A 20 4.417 -2.830 1.569 1.00 2.10 C ATOM 279 CD2 LEU A 20 2.379 -3.739 0.482 1.00 2.09 C ATOM 0 H LEU A 20 0.914 -1.321 2.622 1.00 1.40 H new ATOM 0 HA LEU A 20 1.841 -2.682 4.980 1.00 1.52 H new ATOM 0 HB2 LEU A 20 2.978 -4.091 3.365 1.00 1.69 H new ATOM 0 HB3 LEU A 20 1.348 -3.769 2.807 1.00 1.69 H new ATOM 0 HG LEU A 20 2.528 -1.818 1.474 1.00 1.57 H new ATOM 0 HD11 LEU A 20 4.753 -2.491 0.589 1.00 2.10 H new ATOM 0 HD12 LEU A 20 4.797 -2.155 2.336 1.00 2.10 H new ATOM 0 HD13 LEU A 20 4.792 -3.837 1.753 1.00 2.10 H new ATOM 0 HD21 LEU A 20 2.783 -3.392 -0.469 1.00 2.09 H new ATOM 0 HD22 LEU A 20 2.704 -4.764 0.661 1.00 2.09 H new ATOM 0 HD23 LEU A 20 1.290 -3.704 0.448 1.00 2.09 H new ATOM 291 N THR A 21 4.365 -2.277 5.213 1.00 1.58 N ATOM 292 CA THR A 21 5.778 -1.905 5.458 1.00 1.63 C ATOM 293 C THR A 21 6.662 -2.325 4.285 1.00 1.82 C ATOM 294 O THR A 21 6.701 -3.496 3.914 1.00 2.24 O ATOM 295 CB THR A 21 6.309 -2.421 6.811 1.00 2.12 C ATOM 296 OG1 THR A 21 7.718 -2.357 6.834 1.00 3.93 O ATOM 297 CG2 THR A 21 5.885 -3.844 7.139 1.00 3.74 C ATOM 0 H THR A 21 4.097 -3.150 5.667 1.00 1.58 H new ATOM 0 HA THR A 21 5.817 -0.818 5.529 1.00 1.63 H new ATOM 0 HB THR A 21 5.869 -1.770 7.567 1.00 2.12 H new ATOM 0 HG1 THR A 21 8.080 -3.224 7.112 1.00 3.93 H new ATOM 0 HG21 THR A 21 6.298 -4.133 8.105 1.00 3.74 H new ATOM 0 HG22 THR A 21 4.797 -3.900 7.178 1.00 3.74 H new ATOM 0 HG23 THR A 21 6.255 -4.521 6.369 1.00 3.74 H new ATOM 305 N LEU A 22 7.395 -1.370 3.705 1.00 1.83 N ATOM 306 CA LEU A 22 8.534 -1.650 2.833 1.00 2.22 C ATOM 307 C LEU A 22 9.757 -1.746 3.732 1.00 1.80 C ATOM 308 O LEU A 22 10.132 -0.751 4.359 1.00 1.53 O ATOM 309 CB LEU A 22 8.721 -0.512 1.813 1.00 2.57 C ATOM 310 CG LEU A 22 9.664 -0.760 0.621 1.00 3.34 C ATOM 311 CD1 LEU A 22 11.007 -1.453 0.908 1.00 3.63 C ATOM 312 CD2 LEU A 22 8.955 -1.534 -0.467 1.00 3.82 C ATOM 0 H LEU A 22 7.211 -0.374 3.830 1.00 1.83 H new ATOM 0 HA LEU A 22 8.378 -2.573 2.274 1.00 2.22 H new ATOM 0 HB2 LEU A 22 7.739 -0.255 1.415 1.00 2.57 H new ATOM 0 HB3 LEU A 22 9.086 0.363 2.351 1.00 2.57 H new ATOM 0 HG LEU A 22 9.927 0.253 0.316 1.00 3.34 H new ATOM 0 HD11 LEU A 22 11.566 -1.562 -0.021 1.00 3.63 H new ATOM 0 HD12 LEU A 22 11.584 -0.851 1.610 1.00 3.63 H new ATOM 0 HD13 LEU A 22 10.824 -2.437 1.339 1.00 3.63 H new ATOM 0 HD21 LEU A 22 9.638 -1.699 -1.300 1.00 3.82 H new ATOM 0 HD22 LEU A 22 8.624 -2.495 -0.073 1.00 3.82 H new ATOM 0 HD23 LEU A 22 8.091 -0.967 -0.813 1.00 3.82 H new ATOM 324 N GLU A 23 10.410 -2.901 3.723 1.00 1.95 N ATOM 325 CA GLU A 23 11.644 -3.133 4.456 1.00 1.73 C ATOM 326 C GLU A 23 12.691 -3.873 3.642 1.00 1.63 C ATOM 327 O GLU A 23 12.387 -4.729 2.811 1.00 1.88 O ATOM 328 CB GLU A 23 11.354 -3.807 5.795 1.00 2.00 C ATOM 329 CG GLU A 23 10.593 -5.132 5.813 1.00 3.39 C ATOM 330 CD GLU A 23 10.086 -5.306 7.241 1.00 3.57 C ATOM 331 OE1 GLU A 23 9.182 -4.534 7.633 1.00 4.23 O ATOM 332 OE2 GLU A 23 10.704 -6.056 8.018 1.00 3.82 O ATOM 0 H GLU A 23 10.091 -3.715 3.197 1.00 1.95 H new ATOM 0 HA GLU A 23 12.087 -2.159 4.663 1.00 1.73 H new ATOM 0 HB2 GLU A 23 12.309 -3.970 6.294 1.00 2.00 H new ATOM 0 HB3 GLU A 23 10.793 -3.098 6.405 1.00 2.00 H new ATOM 0 HG2 GLU A 23 9.765 -5.116 5.104 1.00 3.39 H new ATOM 0 HG3 GLU A 23 11.243 -5.959 5.526 1.00 3.39 H new ATOM 339 N ASN A 24 13.945 -3.487 3.873 1.00 1.42 N ATOM 340 CA ASN A 24 15.086 -3.931 3.102 1.00 1.34 C ATOM 341 C ASN A 24 16.111 -4.641 4.002 1.00 1.52 C ATOM 342 O ASN A 24 17.014 -3.995 4.535 1.00 1.63 O ATOM 343 CB ASN A 24 15.681 -2.716 2.375 1.00 1.19 C ATOM 344 CG ASN A 24 16.612 -3.150 1.256 1.00 1.18 C ATOM 345 OD1 ASN A 24 17.005 -4.307 1.155 1.00 1.73 O ATOM 346 ND2 ASN A 24 16.970 -2.246 0.367 1.00 1.00 N ATOM 0 H ASN A 24 14.193 -2.841 4.622 1.00 1.42 H new ATOM 0 HA ASN A 24 14.780 -4.666 2.357 1.00 1.34 H new ATOM 0 HB2 ASN A 24 14.877 -2.103 1.967 1.00 1.19 H new ATOM 0 HB3 ASN A 24 16.226 -2.094 3.085 1.00 1.19 H new ATOM 0 HD21 ASN A 24 17.577 -2.507 -0.410 1.00 1.00 H new ATOM 0 HD22 ASN A 24 16.640 -1.285 0.456 1.00 1.00 H new ATOM 353 N PRO A 25 16.014 -5.971 4.178 1.00 1.65 N ATOM 354 CA PRO A 25 17.029 -6.740 4.889 1.00 1.91 C ATOM 355 C PRO A 25 18.321 -6.923 4.074 1.00 1.99 C ATOM 356 O PRO A 25 19.310 -7.407 4.621 1.00 2.26 O ATOM 357 CB PRO A 25 16.352 -8.080 5.205 1.00 2.05 C ATOM 358 CG PRO A 25 15.363 -8.254 4.051 1.00 1.93 C ATOM 359 CD PRO A 25 14.904 -6.826 3.772 1.00 1.66 C ATOM 0 HA PRO A 25 17.359 -6.223 5.790 1.00 1.91 H new ATOM 0 HB2 PRO A 25 17.073 -8.896 5.243 1.00 2.05 H new ATOM 0 HB3 PRO A 25 15.845 -8.057 6.170 1.00 2.05 H new ATOM 0 HG2 PRO A 25 15.837 -8.703 3.178 1.00 1.93 H new ATOM 0 HG3 PRO A 25 14.529 -8.899 4.328 1.00 1.93 H new ATOM 0 HD2 PRO A 25 14.669 -6.689 2.716 1.00 1.66 H new ATOM 0 HD3 PRO A 25 14.000 -6.588 4.333 1.00 1.66 H new ATOM 367 N GLY A 26 18.344 -6.531 2.791 1.00 1.77 N ATOM 368 CA GLY A 26 19.513 -6.630 1.926 1.00 1.82 C ATOM 369 C GLY A 26 20.465 -5.450 2.080 1.00 1.59 C ATOM 370 O GLY A 26 20.277 -4.556 2.899 1.00 1.67 O ATOM 0 H GLY A 26 17.531 -6.130 2.324 1.00 1.77 H new ATOM 0 HA2 GLY A 26 20.047 -7.553 2.150 1.00 1.82 H new ATOM 0 HA3 GLY A 26 19.187 -6.694 0.888 1.00 1.82 H new ATOM 374 N ASP A 27 21.518 -5.497 1.274 1.00 1.60 N ATOM 375 CA ASP A 27 22.724 -4.676 1.347 1.00 1.64 C ATOM 376 C ASP A 27 22.823 -3.698 0.163 1.00 1.36 C ATOM 377 O ASP A 27 23.727 -2.872 0.073 1.00 1.48 O ATOM 378 CB ASP A 27 23.874 -5.684 1.348 1.00 2.09 C ATOM 379 CG ASP A 27 23.852 -6.513 2.637 1.00 2.75 C ATOM 380 OD1 ASP A 27 23.081 -7.499 2.695 1.00 4.03 O ATOM 381 OD2 ASP A 27 24.436 -6.076 3.647 1.00 2.71 O ATOM 0 H ASP A 27 21.556 -6.156 0.496 1.00 1.60 H new ATOM 0 HA ASP A 27 22.734 -4.042 2.233 1.00 1.64 H new ATOM 0 HB2 ASP A 27 23.791 -6.342 0.483 1.00 2.09 H new ATOM 0 HB3 ASP A 27 24.826 -5.160 1.260 1.00 2.09 H new ATOM 386 N LEU A 28 21.835 -3.784 -0.726 1.00 1.10 N ATOM 387 CA LEU A 28 21.595 -2.952 -1.891 1.00 0.89 C ATOM 388 C LEU A 28 20.111 -2.524 -1.917 1.00 0.90 C ATOM 389 O LEU A 28 19.292 -3.162 -1.245 1.00 1.12 O ATOM 390 CB LEU A 28 22.115 -3.736 -3.107 1.00 1.08 C ATOM 391 CG LEU A 28 21.410 -5.058 -3.470 1.00 1.68 C ATOM 392 CD1 LEU A 28 20.074 -4.859 -4.202 1.00 2.12 C ATOM 393 CD2 LEU A 28 22.333 -5.893 -4.369 1.00 2.23 C ATOM 0 H LEU A 28 21.120 -4.506 -0.635 1.00 1.10 H new ATOM 0 HA LEU A 28 22.133 -2.004 -1.885 1.00 0.89 H new ATOM 0 HB2 LEU A 28 22.062 -3.080 -3.975 1.00 1.08 H new ATOM 0 HB3 LEU A 28 23.169 -3.955 -2.937 1.00 1.08 H new ATOM 0 HG LEU A 28 21.195 -5.563 -2.528 1.00 1.68 H new ATOM 0 HD11 LEU A 28 19.634 -5.831 -4.426 1.00 2.12 H new ATOM 0 HD12 LEU A 28 19.393 -4.290 -3.569 1.00 2.12 H new ATOM 0 HD13 LEU A 28 20.246 -4.315 -5.131 1.00 2.12 H new ATOM 0 HD21 LEU A 28 21.839 -6.829 -4.628 1.00 2.23 H new ATOM 0 HD22 LEU A 28 22.556 -5.336 -5.279 1.00 2.23 H new ATOM 0 HD23 LEU A 28 23.261 -6.107 -3.839 1.00 2.23 H new ATOM 405 N PRO A 29 19.732 -1.452 -2.639 1.00 0.77 N ATOM 406 CA PRO A 29 18.414 -0.844 -2.503 1.00 0.75 C ATOM 407 C PRO A 29 17.310 -1.731 -3.099 1.00 0.72 C ATOM 408 O PRO A 29 17.558 -2.583 -3.956 1.00 0.80 O ATOM 409 CB PRO A 29 18.510 0.525 -3.180 1.00 0.75 C ATOM 410 CG PRO A 29 19.600 0.323 -4.232 1.00 0.77 C ATOM 411 CD PRO A 29 20.532 -0.718 -3.603 1.00 0.78 C ATOM 0 HA PRO A 29 18.133 -0.731 -1.456 1.00 0.75 H new ATOM 0 HB2 PRO A 29 17.563 0.816 -3.634 1.00 0.75 H new ATOM 0 HB3 PRO A 29 18.777 1.307 -2.469 1.00 0.75 H new ATOM 0 HG2 PRO A 29 19.184 -0.031 -5.175 1.00 0.77 H new ATOM 0 HG3 PRO A 29 20.126 1.253 -4.445 1.00 0.77 H new ATOM 0 HD2 PRO A 29 20.936 -1.387 -4.363 1.00 0.78 H new ATOM 0 HD3 PRO A 29 21.381 -0.237 -3.118 1.00 0.78 H new ATOM 419 N LEU A 30 16.083 -1.522 -2.620 1.00 0.67 N ATOM 420 CA LEU A 30 14.860 -2.170 -3.097 1.00 0.64 C ATOM 421 C LEU A 30 13.936 -1.144 -3.730 1.00 0.57 C ATOM 422 O LEU A 30 13.890 0.019 -3.328 1.00 0.58 O ATOM 423 CB LEU A 30 14.115 -2.872 -1.945 1.00 0.68 C ATOM 424 CG LEU A 30 14.281 -4.402 -1.850 1.00 1.07 C ATOM 425 CD1 LEU A 30 15.725 -4.891 -2.027 1.00 2.56 C ATOM 426 CD2 LEU A 30 13.732 -4.895 -0.508 1.00 1.94 C ATOM 0 H LEU A 30 15.907 -0.869 -1.857 1.00 0.67 H new ATOM 0 HA LEU A 30 15.149 -2.917 -3.837 1.00 0.64 H new ATOM 0 HB2 LEU A 30 14.450 -2.433 -1.005 1.00 0.68 H new ATOM 0 HB3 LEU A 30 13.052 -2.649 -2.040 1.00 0.68 H new ATOM 0 HG LEU A 30 13.716 -4.821 -2.683 1.00 1.07 H new ATOM 0 HD11 LEU A 30 15.754 -5.978 -1.946 1.00 2.56 H new ATOM 0 HD12 LEU A 30 16.093 -4.590 -3.008 1.00 2.56 H new ATOM 0 HD13 LEU A 30 16.355 -4.453 -1.253 1.00 2.56 H new ATOM 0 HD21 LEU A 30 13.850 -5.977 -0.442 1.00 1.94 H new ATOM 0 HD22 LEU A 30 14.280 -4.420 0.306 1.00 1.94 H new ATOM 0 HD23 LEU A 30 12.675 -4.640 -0.431 1.00 1.94 H new ATOM 438 N ARG A 31 13.138 -1.673 -4.651 1.00 0.56 N ATOM 439 CA ARG A 31 12.212 -0.943 -5.520 1.00 0.51 C ATOM 440 C ARG A 31 10.915 -1.725 -5.716 1.00 0.51 C ATOM 441 O ARG A 31 10.923 -2.750 -6.398 1.00 0.54 O ATOM 442 CB ARG A 31 12.875 -0.673 -6.876 1.00 0.50 C ATOM 443 CG ARG A 31 12.100 0.400 -7.662 1.00 0.51 C ATOM 444 CD ARG A 31 12.882 0.953 -8.861 1.00 0.57 C ATOM 445 NE ARG A 31 14.117 1.606 -8.402 1.00 1.06 N ATOM 446 CZ ARG A 31 15.211 1.919 -9.072 1.00 1.04 C ATOM 447 NH1 ARG A 31 15.307 1.782 -10.381 1.00 1.82 N ATOM 448 NH2 ARG A 31 16.247 2.372 -8.402 1.00 1.87 N ATOM 0 H ARG A 31 13.116 -2.678 -4.824 1.00 0.56 H new ATOM 0 HA ARG A 31 11.967 0.006 -5.043 1.00 0.51 H new ATOM 0 HB2 ARG A 31 13.904 -0.346 -6.724 1.00 0.50 H new ATOM 0 HB3 ARG A 31 12.916 -1.595 -7.455 1.00 0.50 H new ATOM 0 HG2 ARG A 31 11.160 -0.025 -8.014 1.00 0.51 H new ATOM 0 HG3 ARG A 31 11.847 1.221 -6.991 1.00 0.51 H new ATOM 0 HD2 ARG A 31 13.124 0.145 -9.551 1.00 0.57 H new ATOM 0 HD3 ARG A 31 12.266 1.666 -9.409 1.00 0.57 H new ATOM 0 HE ARG A 31 14.131 1.856 -7.413 1.00 1.06 H new ATOM 0 HH11 ARG A 31 14.516 1.422 -10.915 1.00 1.82 H new ATOM 0 HH12 ARG A 31 16.172 2.036 -10.858 1.00 1.82 H new ATOM 0 HH21 ARG A 31 16.194 2.474 -7.389 1.00 1.87 H new ATOM 0 HH22 ARG A 31 17.104 2.621 -8.895 1.00 1.87 H new ATOM 462 N LEU A 32 9.825 -1.296 -5.089 1.00 0.51 N ATOM 463 CA LEU A 32 8.527 -1.974 -5.098 1.00 0.53 C ATOM 464 C LEU A 32 7.701 -1.459 -6.270 1.00 0.50 C ATOM 465 O LEU A 32 7.268 -0.312 -6.226 1.00 0.52 O ATOM 466 CB LEU A 32 7.849 -1.714 -3.741 1.00 0.61 C ATOM 467 CG LEU A 32 6.491 -2.413 -3.525 1.00 0.73 C ATOM 468 CD1 LEU A 32 6.665 -3.931 -3.593 1.00 1.90 C ATOM 469 CD2 LEU A 32 5.926 -2.081 -2.134 1.00 1.67 C ATOM 0 H LEU A 32 9.817 -0.436 -4.540 1.00 0.51 H new ATOM 0 HA LEU A 32 8.634 -3.051 -5.230 1.00 0.53 H new ATOM 0 HB2 LEU A 32 8.529 -2.030 -2.950 1.00 0.61 H new ATOM 0 HB3 LEU A 32 7.705 -0.639 -3.628 1.00 0.61 H new ATOM 0 HG LEU A 32 5.813 -2.063 -4.304 1.00 0.73 H new ATOM 0 HD11 LEU A 32 5.701 -4.415 -3.439 1.00 1.90 H new ATOM 0 HD12 LEU A 32 7.059 -4.209 -4.571 1.00 1.90 H new ATOM 0 HD13 LEU A 32 7.360 -4.253 -2.817 1.00 1.90 H new ATOM 0 HD21 LEU A 32 4.968 -2.583 -2.001 1.00 1.67 H new ATOM 0 HD22 LEU A 32 6.623 -2.420 -1.368 1.00 1.67 H new ATOM 0 HD23 LEU A 32 5.786 -1.004 -2.046 1.00 1.67 H new ATOM 481 N VAL A 33 7.502 -2.292 -7.291 1.00 0.50 N ATOM 482 CA VAL A 33 6.849 -1.906 -8.557 1.00 0.49 C ATOM 483 C VAL A 33 5.402 -2.440 -8.639 1.00 0.52 C ATOM 484 O VAL A 33 4.607 -1.943 -9.432 1.00 0.54 O ATOM 485 CB VAL A 33 7.672 -2.389 -9.784 1.00 0.57 C ATOM 486 CG1 VAL A 33 9.118 -1.858 -9.771 1.00 0.52 C ATOM 487 CG2 VAL A 33 7.753 -3.923 -9.917 1.00 0.70 C ATOM 0 H VAL A 33 7.791 -3.270 -7.269 1.00 0.50 H new ATOM 0 HA VAL A 33 6.807 -0.817 -8.575 1.00 0.49 H new ATOM 0 HB VAL A 33 7.121 -1.984 -10.633 1.00 0.57 H new ATOM 0 HG11 VAL A 33 9.648 -2.225 -10.650 1.00 0.52 H new ATOM 0 HG12 VAL A 33 9.106 -0.768 -9.784 1.00 0.52 H new ATOM 0 HG13 VAL A 33 9.625 -2.204 -8.870 1.00 0.52 H new ATOM 0 HG21 VAL A 33 8.343 -4.181 -10.796 1.00 0.70 H new ATOM 0 HG22 VAL A 33 8.225 -4.341 -9.028 1.00 0.70 H new ATOM 0 HG23 VAL A 33 6.748 -4.333 -10.021 1.00 0.70 H new ATOM 497 N GLY A 34 5.052 -3.444 -7.817 1.00 0.55 N ATOM 498 CA GLY A 34 3.724 -4.060 -7.727 1.00 0.57 C ATOM 499 C GLY A 34 3.461 -4.717 -6.374 1.00 0.56 C ATOM 500 O GLY A 34 4.308 -4.720 -5.483 1.00 0.56 O ATOM 0 H GLY A 34 5.719 -3.864 -7.170 1.00 0.55 H new ATOM 0 HA2 GLY A 34 2.964 -3.300 -7.909 1.00 0.57 H new ATOM 0 HA3 GLY A 34 3.622 -4.808 -8.514 1.00 0.57 H new ATOM 504 N ALA A 35 2.288 -5.333 -6.250 1.00 0.57 N ATOM 505 CA ALA A 35 1.884 -6.168 -5.117 1.00 0.55 C ATOM 506 C ALA A 35 1.027 -7.357 -5.595 1.00 0.53 C ATOM 507 O ALA A 35 0.741 -7.494 -6.783 1.00 0.56 O ATOM 508 CB ALA A 35 1.155 -5.291 -4.086 1.00 0.58 C ATOM 0 H ALA A 35 1.563 -5.263 -6.964 1.00 0.57 H new ATOM 0 HA ALA A 35 2.762 -6.598 -4.636 1.00 0.55 H new ATOM 0 HB1 ALA A 35 0.850 -5.904 -3.238 1.00 0.58 H new ATOM 0 HB2 ALA A 35 1.824 -4.502 -3.742 1.00 0.58 H new ATOM 0 HB3 ALA A 35 0.274 -4.844 -4.546 1.00 0.58 H new ATOM 514 N ARG A 36 0.623 -8.216 -4.662 1.00 0.52 N ATOM 515 CA ARG A 36 -0.178 -9.427 -4.869 1.00 0.55 C ATOM 516 C ARG A 36 -0.847 -9.797 -3.533 1.00 0.61 C ATOM 517 O ARG A 36 -0.304 -9.497 -2.475 1.00 0.75 O ATOM 518 CB ARG A 36 0.760 -10.501 -5.452 1.00 0.75 C ATOM 519 CG ARG A 36 0.225 -11.940 -5.472 1.00 1.43 C ATOM 520 CD ARG A 36 1.331 -12.887 -5.958 1.00 1.98 C ATOM 521 NE ARG A 36 0.803 -14.237 -6.219 1.00 2.82 N ATOM 522 CZ ARG A 36 1.327 -15.393 -5.821 1.00 3.92 C ATOM 523 NH1 ARG A 36 2.335 -15.490 -4.982 1.00 4.55 N ATOM 524 NH2 ARG A 36 0.826 -16.516 -6.287 1.00 4.88 N ATOM 0 H ARG A 36 0.859 -8.079 -3.679 1.00 0.52 H new ATOM 0 HA ARG A 36 -0.993 -9.301 -5.582 1.00 0.55 H new ATOM 0 HB2 ARG A 36 1.011 -10.216 -6.474 1.00 0.75 H new ATOM 0 HB3 ARG A 36 1.688 -10.490 -4.881 1.00 0.75 H new ATOM 0 HG2 ARG A 36 -0.106 -12.231 -4.475 1.00 1.43 H new ATOM 0 HG3 ARG A 36 -0.642 -12.008 -6.129 1.00 1.43 H new ATOM 0 HD2 ARG A 36 1.781 -12.488 -6.867 1.00 1.98 H new ATOM 0 HD3 ARG A 36 2.121 -12.942 -5.209 1.00 1.98 H new ATOM 0 HE ARG A 36 -0.058 -14.291 -6.764 1.00 2.82 H new ATOM 0 HH11 ARG A 36 2.761 -14.647 -4.597 1.00 4.55 H new ATOM 0 HH12 ARG A 36 2.691 -16.408 -4.716 1.00 4.55 H new ATOM 0 HH21 ARG A 36 0.046 -16.493 -6.944 1.00 4.88 H new ATOM 0 HH22 ARG A 36 1.217 -17.410 -5.991 1.00 4.88 H new ATOM 538 N THR A 37 -2.023 -10.428 -3.547 1.00 0.61 N ATOM 539 CA THR A 37 -2.851 -10.674 -2.348 1.00 0.60 C ATOM 540 C THR A 37 -3.873 -11.774 -2.654 1.00 0.57 C ATOM 541 O THR A 37 -4.343 -11.839 -3.790 1.00 0.59 O ATOM 542 CB THR A 37 -3.541 -9.381 -1.876 1.00 0.75 C ATOM 543 OG1 THR A 37 -4.582 -9.675 -0.976 1.00 0.90 O ATOM 544 CG2 THR A 37 -4.186 -8.564 -2.993 1.00 0.87 C ATOM 0 H THR A 37 -2.441 -10.792 -4.404 1.00 0.61 H new ATOM 0 HA THR A 37 -2.209 -11.008 -1.533 1.00 0.60 H new ATOM 0 HB THR A 37 -2.735 -8.801 -1.426 1.00 0.75 H new ATOM 0 HG1 THR A 37 -5.008 -8.842 -0.685 1.00 0.90 H new ATOM 0 HG21 THR A 37 -4.648 -7.672 -2.571 1.00 0.87 H new ATOM 0 HG22 THR A 37 -3.425 -8.271 -3.716 1.00 0.87 H new ATOM 0 HG23 THR A 37 -4.947 -9.165 -3.491 1.00 0.87 H new ATOM 552 N PRO A 38 -4.283 -12.597 -1.667 1.00 0.57 N ATOM 553 CA PRO A 38 -5.323 -13.613 -1.838 1.00 0.56 C ATOM 554 C PRO A 38 -6.752 -13.059 -1.911 1.00 0.57 C ATOM 555 O PRO A 38 -7.699 -13.832 -2.039 1.00 0.70 O ATOM 556 CB PRO A 38 -5.157 -14.514 -0.620 1.00 0.61 C ATOM 557 CG PRO A 38 -4.651 -13.586 0.476 1.00 0.67 C ATOM 558 CD PRO A 38 -3.758 -12.629 -0.306 1.00 0.65 C ATOM 0 HA PRO A 38 -5.200 -14.123 -2.793 1.00 0.56 H new ATOM 0 HB2 PRO A 38 -6.101 -14.981 -0.340 1.00 0.61 H new ATOM 0 HB3 PRO A 38 -4.449 -15.320 -0.816 1.00 0.61 H new ATOM 0 HG2 PRO A 38 -5.466 -13.065 0.978 1.00 0.67 H new ATOM 0 HG3 PRO A 38 -4.097 -14.126 1.244 1.00 0.67 H new ATOM 0 HD2 PRO A 38 -3.771 -11.634 0.139 1.00 0.65 H new ATOM 0 HD3 PRO A 38 -2.722 -12.969 -0.297 1.00 0.65 H new ATOM 566 N VAL A 39 -6.912 -11.741 -1.789 1.00 0.64 N ATOM 567 CA VAL A 39 -8.216 -11.040 -1.771 1.00 0.67 C ATOM 568 C VAL A 39 -8.231 -9.793 -2.670 1.00 0.61 C ATOM 569 O VAL A 39 -8.735 -8.735 -2.303 1.00 0.65 O ATOM 570 CB VAL A 39 -8.713 -10.748 -0.330 1.00 0.75 C ATOM 571 CG1 VAL A 39 -9.066 -12.056 0.399 1.00 0.91 C ATOM 572 CG2 VAL A 39 -7.704 -9.950 0.514 1.00 0.75 C ATOM 0 H VAL A 39 -6.120 -11.104 -1.697 1.00 0.64 H new ATOM 0 HA VAL A 39 -8.939 -11.730 -2.206 1.00 0.67 H new ATOM 0 HB VAL A 39 -9.603 -10.129 -0.442 1.00 0.75 H new ATOM 0 HG11 VAL A 39 -9.412 -11.829 1.407 1.00 0.91 H new ATOM 0 HG12 VAL A 39 -9.854 -12.575 -0.147 1.00 0.91 H new ATOM 0 HG13 VAL A 39 -8.182 -12.692 0.454 1.00 0.91 H new ATOM 0 HG21 VAL A 39 -8.115 -9.781 1.509 1.00 0.75 H new ATOM 0 HG22 VAL A 39 -6.774 -10.512 0.596 1.00 0.75 H new ATOM 0 HG23 VAL A 39 -7.507 -8.991 0.035 1.00 0.75 H new ATOM 582 N ALA A 40 -7.740 -9.956 -3.900 1.00 0.61 N ATOM 583 CA ALA A 40 -7.966 -9.049 -5.027 1.00 0.62 C ATOM 584 C ALA A 40 -7.839 -9.819 -6.356 1.00 0.78 C ATOM 585 O ALA A 40 -7.553 -11.016 -6.378 1.00 1.31 O ATOM 586 CB ALA A 40 -6.993 -7.863 -4.949 1.00 0.71 C ATOM 0 H ALA A 40 -7.153 -10.752 -4.148 1.00 0.61 H new ATOM 0 HA ALA A 40 -8.977 -8.646 -4.978 1.00 0.62 H new ATOM 0 HB1 ALA A 40 -7.168 -7.193 -5.791 1.00 0.71 H new ATOM 0 HB2 ALA A 40 -7.152 -7.322 -4.016 1.00 0.71 H new ATOM 0 HB3 ALA A 40 -5.968 -8.231 -4.985 1.00 0.71 H new ATOM 592 N GLU A 41 -8.049 -9.105 -7.457 1.00 0.65 N ATOM 593 CA GLU A 41 -7.767 -9.541 -8.828 1.00 0.75 C ATOM 594 C GLU A 41 -6.902 -8.526 -9.588 1.00 0.78 C ATOM 595 O GLU A 41 -6.081 -8.899 -10.420 1.00 1.05 O ATOM 596 CB GLU A 41 -9.097 -9.674 -9.564 1.00 0.86 C ATOM 597 CG GLU A 41 -8.966 -10.506 -10.840 1.00 1.08 C ATOM 598 CD GLU A 41 -10.310 -10.518 -11.543 1.00 2.33 C ATOM 599 OE1 GLU A 41 -11.217 -11.183 -10.998 1.00 2.79 O ATOM 600 OE2 GLU A 41 -10.436 -9.783 -12.547 1.00 3.83 O ATOM 0 H GLU A 41 -8.438 -8.163 -7.421 1.00 0.65 H new ATOM 0 HA GLU A 41 -7.225 -10.485 -8.782 1.00 0.75 H new ATOM 0 HB2 GLU A 41 -9.832 -10.136 -8.904 1.00 0.86 H new ATOM 0 HB3 GLU A 41 -9.473 -8.682 -9.815 1.00 0.86 H new ATOM 0 HG2 GLU A 41 -8.201 -10.084 -11.491 1.00 1.08 H new ATOM 0 HG3 GLU A 41 -8.654 -11.523 -10.600 1.00 1.08 H new ATOM 607 N ARG A 42 -7.090 -7.234 -9.303 1.00 0.70 N ATOM 608 CA ARG A 42 -6.273 -6.131 -9.788 1.00 0.79 C ATOM 609 C ARG A 42 -5.720 -5.421 -8.551 1.00 0.73 C ATOM 610 O ARG A 42 -6.357 -5.391 -7.496 1.00 0.73 O ATOM 611 CB ARG A 42 -7.083 -5.151 -10.667 1.00 0.97 C ATOM 612 CG ARG A 42 -8.228 -5.745 -11.511 1.00 1.64 C ATOM 613 CD ARG A 42 -7.774 -6.751 -12.578 1.00 2.49 C ATOM 614 NE ARG A 42 -8.920 -7.475 -13.161 1.00 3.73 N ATOM 615 CZ ARG A 42 -9.644 -7.165 -14.227 1.00 4.72 C ATOM 616 NH1 ARG A 42 -9.438 -6.073 -14.934 1.00 4.74 N ATOM 617 NH2 ARG A 42 -10.604 -7.988 -14.577 1.00 6.16 N ATOM 0 H ARG A 42 -7.851 -6.920 -8.701 1.00 0.70 H new ATOM 0 HA ARG A 42 -5.471 -6.508 -10.423 1.00 0.79 H new ATOM 0 HB2 ARG A 42 -7.505 -4.384 -10.018 1.00 0.97 H new ATOM 0 HB3 ARG A 42 -6.389 -4.651 -11.343 1.00 0.97 H new ATOM 0 HG2 ARG A 42 -8.937 -6.236 -10.845 1.00 1.64 H new ATOM 0 HG3 ARG A 42 -8.762 -4.931 -12.001 1.00 1.64 H new ATOM 0 HD2 ARG A 42 -7.234 -6.227 -13.367 1.00 2.49 H new ATOM 0 HD3 ARG A 42 -7.079 -7.464 -12.135 1.00 2.49 H new ATOM 0 HE ARG A 42 -9.192 -8.331 -12.678 1.00 3.73 H new ATOM 0 HH11 ARG A 42 -8.696 -5.426 -14.668 1.00 4.74 H new ATOM 0 HH12 ARG A 42 -10.020 -5.875 -15.748 1.00 4.74 H new ATOM 0 HH21 ARG A 42 -10.773 -8.835 -14.034 1.00 6.16 H new ATOM 0 HH22 ARG A 42 -11.181 -7.781 -15.392 1.00 6.16 H new ATOM 631 N VAL A 43 -4.543 -4.842 -8.696 1.00 0.95 N ATOM 632 CA VAL A 43 -3.864 -4.048 -7.668 1.00 0.82 C ATOM 633 C VAL A 43 -3.023 -2.955 -8.323 1.00 0.84 C ATOM 634 O VAL A 43 -2.438 -3.179 -9.382 1.00 1.22 O ATOM 635 CB VAL A 43 -3.040 -4.939 -6.710 1.00 0.81 C ATOM 636 CG1 VAL A 43 -1.807 -5.574 -7.369 1.00 0.93 C ATOM 637 CG2 VAL A 43 -2.610 -4.203 -5.432 1.00 0.79 C ATOM 0 H VAL A 43 -4.007 -4.909 -9.561 1.00 0.95 H new ATOM 0 HA VAL A 43 -4.617 -3.560 -7.048 1.00 0.82 H new ATOM 0 HB VAL A 43 -3.727 -5.741 -6.439 1.00 0.81 H new ATOM 0 HG11 VAL A 43 -1.278 -6.185 -6.638 1.00 0.93 H new ATOM 0 HG12 VAL A 43 -2.122 -6.199 -8.204 1.00 0.93 H new ATOM 0 HG13 VAL A 43 -1.144 -4.789 -7.734 1.00 0.93 H new ATOM 0 HG21 VAL A 43 -2.035 -4.879 -4.799 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -1.995 -3.343 -5.697 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -3.494 -3.864 -4.892 1.00 0.79 H new ATOM 647 N GLU A 44 -3.010 -1.781 -7.698 1.00 0.58 N ATOM 648 CA GLU A 44 -2.404 -0.540 -8.184 1.00 0.58 C ATOM 649 C GLU A 44 -1.610 0.105 -7.050 1.00 0.46 C ATOM 650 O GLU A 44 -2.003 0.015 -5.888 1.00 0.63 O ATOM 651 CB GLU A 44 -3.504 0.449 -8.598 1.00 0.81 C ATOM 652 CG GLU A 44 -4.315 0.017 -9.830 1.00 1.22 C ATOM 653 CD GLU A 44 -5.657 0.754 -9.942 1.00 2.12 C ATOM 654 OE1 GLU A 44 -5.772 1.859 -9.361 1.00 3.22 O ATOM 655 OE2 GLU A 44 -6.564 0.195 -10.588 1.00 2.85 O ATOM 0 H GLU A 44 -3.448 -1.661 -6.784 1.00 0.58 H new ATOM 0 HA GLU A 44 -1.760 -0.771 -9.033 1.00 0.58 H new ATOM 0 HB2 GLU A 44 -4.186 0.587 -7.759 1.00 0.81 H new ATOM 0 HB3 GLU A 44 -3.047 1.418 -8.800 1.00 0.81 H new ATOM 0 HG2 GLU A 44 -3.728 0.201 -10.730 1.00 1.22 H new ATOM 0 HG3 GLU A 44 -4.497 -1.057 -9.782 1.00 1.22 H new ATOM 662 N LEU A 45 -0.513 0.795 -7.364 1.00 0.52 N ATOM 663 CA LEU A 45 0.275 1.546 -6.381 1.00 0.55 C ATOM 664 C LEU A 45 -0.050 3.041 -6.486 1.00 0.51 C ATOM 665 O LEU A 45 0.160 3.641 -7.541 1.00 0.56 O ATOM 666 CB LEU A 45 1.762 1.256 -6.634 1.00 0.83 C ATOM 667 CG LEU A 45 2.710 2.042 -5.710 1.00 0.66 C ATOM 668 CD1 LEU A 45 2.705 1.576 -4.253 1.00 0.95 C ATOM 669 CD2 LEU A 45 4.126 1.890 -6.247 1.00 1.27 C ATOM 0 H LEU A 45 -0.142 0.850 -8.313 1.00 0.52 H new ATOM 0 HA LEU A 45 0.029 1.238 -5.365 1.00 0.55 H new ATOM 0 HB2 LEU A 45 1.943 0.189 -6.503 1.00 0.83 H new ATOM 0 HB3 LEU A 45 1.999 1.495 -7.671 1.00 0.83 H new ATOM 0 HG LEU A 45 2.359 3.074 -5.709 1.00 0.66 H new ATOM 0 HD11 LEU A 45 3.400 2.184 -3.674 1.00 0.95 H new ATOM 0 HD12 LEU A 45 1.701 1.681 -3.841 1.00 0.95 H new ATOM 0 HD13 LEU A 45 3.010 0.531 -4.204 1.00 0.95 H new ATOM 0 HD21 LEU A 45 4.818 2.439 -5.608 1.00 1.27 H new ATOM 0 HD22 LEU A 45 4.400 0.835 -6.257 1.00 1.27 H new ATOM 0 HD23 LEU A 45 4.175 2.287 -7.261 1.00 1.27 H new ATOM 681 N HIS A 46 -0.533 3.651 -5.401 1.00 0.50 N ATOM 682 CA HIS A 46 -0.948 5.058 -5.342 1.00 0.51 C ATOM 683 C HIS A 46 -0.189 5.907 -4.291 1.00 0.55 C ATOM 684 O HIS A 46 0.175 5.468 -3.192 1.00 0.64 O ATOM 685 CB HIS A 46 -2.463 5.151 -5.043 1.00 0.48 C ATOM 686 CG HIS A 46 -3.457 4.661 -6.069 1.00 0.46 C ATOM 687 ND1 HIS A 46 -4.834 4.667 -5.877 1.00 0.45 N ATOM 688 CD2 HIS A 46 -3.222 4.103 -7.293 1.00 0.49 C ATOM 689 CE1 HIS A 46 -5.395 4.125 -6.958 1.00 0.50 C ATOM 690 NE2 HIS A 46 -4.447 3.767 -7.836 1.00 0.51 N ATOM 0 H HIS A 46 -0.650 3.166 -4.511 1.00 0.50 H new ATOM 0 HA HIS A 46 -0.704 5.471 -6.321 1.00 0.51 H new ATOM 0 HB2 HIS A 46 -2.648 4.600 -4.121 1.00 0.48 H new ATOM 0 HB3 HIS A 46 -2.692 6.197 -4.841 1.00 0.48 H new ATOM 0 HD2 HIS A 46 -2.256 3.952 -7.752 1.00 0.49 H new ATOM 0 HE1 HIS A 46 -6.457 3.994 -7.105 1.00 0.50 H new ATOM 0 HE2 HIS A 46 -4.602 3.326 -8.742 1.00 0.51 H new ATOM 698 N GLU A 47 -0.076 7.187 -4.632 1.00 0.52 N ATOM 699 CA GLU A 47 0.247 8.295 -3.731 1.00 0.53 C ATOM 700 C GLU A 47 -1.032 9.007 -3.240 1.00 0.56 C ATOM 701 O GLU A 47 -2.143 8.743 -3.716 1.00 0.71 O ATOM 702 CB GLU A 47 1.197 9.270 -4.451 1.00 0.57 C ATOM 703 CG GLU A 47 0.505 10.036 -5.594 1.00 0.73 C ATOM 704 CD GLU A 47 1.340 11.132 -6.250 1.00 1.07 C ATOM 705 OE1 GLU A 47 2.560 10.983 -6.440 1.00 2.35 O ATOM 706 OE2 GLU A 47 0.713 12.137 -6.658 1.00 1.84 O ATOM 0 H GLU A 47 -0.214 7.498 -5.593 1.00 0.52 H new ATOM 0 HA GLU A 47 0.747 7.904 -2.845 1.00 0.53 H new ATOM 0 HB2 GLU A 47 1.595 9.983 -3.729 1.00 0.57 H new ATOM 0 HB3 GLU A 47 2.045 8.715 -4.852 1.00 0.57 H new ATOM 0 HG2 GLU A 47 0.210 9.320 -6.361 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -0.410 10.484 -5.206 1.00 0.73 H new ATOM 713 N THR A 48 -0.898 9.953 -2.308 1.00 0.57 N ATOM 714 CA THR A 48 -1.971 10.828 -1.806 1.00 0.55 C ATOM 715 C THR A 48 -1.302 12.138 -1.389 1.00 0.67 C ATOM 716 O THR A 48 -0.149 12.118 -0.967 1.00 0.65 O ATOM 717 CB THR A 48 -2.688 10.147 -0.636 1.00 0.54 C ATOM 718 OG1 THR A 48 -3.147 8.905 -1.112 1.00 0.67 O ATOM 719 CG2 THR A 48 -3.894 10.925 -0.113 1.00 0.65 C ATOM 0 H THR A 48 -0.001 10.142 -1.860 1.00 0.57 H new ATOM 0 HA THR A 48 -2.730 11.026 -2.563 1.00 0.55 H new ATOM 0 HB THR A 48 -1.983 10.069 0.191 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.613 8.431 -0.392 1.00 0.67 H new ATOM 0 HG21 THR A 48 -4.348 10.379 0.714 1.00 0.65 H new ATOM 0 HG22 THR A 48 -3.571 11.907 0.234 1.00 0.65 H new ATOM 0 HG23 THR A 48 -4.624 11.045 -0.913 1.00 0.65 H new ATOM 727 N PHE A 49 -1.987 13.275 -1.543 1.00 0.86 N ATOM 728 CA PHE A 49 -1.368 14.603 -1.439 1.00 0.98 C ATOM 729 C PHE A 49 -2.383 15.732 -1.208 1.00 0.86 C ATOM 730 O PHE A 49 -3.599 15.546 -1.301 1.00 0.72 O ATOM 731 CB PHE A 49 -0.508 14.875 -2.690 1.00 1.13 C ATOM 732 CG PHE A 49 -1.273 14.860 -4.004 1.00 1.06 C ATOM 733 CD1 PHE A 49 -1.494 13.654 -4.699 1.00 1.94 C ATOM 734 CD2 PHE A 49 -1.758 16.066 -4.544 1.00 2.00 C ATOM 735 CE1 PHE A 49 -2.244 13.654 -5.884 1.00 2.00 C ATOM 736 CE2 PHE A 49 -2.481 16.066 -5.748 1.00 1.98 C ATOM 737 CZ PHE A 49 -2.749 14.858 -6.408 1.00 1.13 C ATOM 0 H PHE A 49 -2.987 13.302 -1.743 1.00 0.86 H new ATOM 0 HA PHE A 49 -0.733 14.594 -0.553 1.00 0.98 H new ATOM 0 HB2 PHE A 49 -0.025 15.846 -2.578 1.00 1.13 H new ATOM 0 HB3 PHE A 49 0.285 14.128 -2.738 1.00 1.13 H new ATOM 0 HD1 PHE A 49 -1.086 12.729 -4.319 1.00 1.94 H new ATOM 0 HD2 PHE A 49 -1.573 16.997 -4.029 1.00 2.00 H new ATOM 0 HE1 PHE A 49 -2.435 12.723 -6.398 1.00 2.00 H new ATOM 0 HE2 PHE A 49 -2.831 16.998 -6.166 1.00 1.98 H new ATOM 0 HZ PHE A 49 -3.339 14.852 -7.312 1.00 1.13 H new ATOM 747 N MET A 50 -1.870 16.935 -0.929 1.00 0.98 N ATOM 748 CA MET A 50 -2.621 18.186 -0.803 1.00 0.97 C ATOM 749 C MET A 50 -2.404 19.070 -2.042 1.00 0.95 C ATOM 750 O MET A 50 -1.307 19.096 -2.591 1.00 1.07 O ATOM 751 CB MET A 50 -2.175 18.886 0.489 1.00 1.17 C ATOM 752 CG MET A 50 -3.018 20.136 0.724 1.00 2.12 C ATOM 753 SD MET A 50 -2.778 20.935 2.331 1.00 2.58 S ATOM 754 CE MET A 50 -1.555 22.181 1.847 1.00 3.45 C ATOM 0 H MET A 50 -0.870 17.068 -0.778 1.00 0.98 H new ATOM 0 HA MET A 50 -3.691 17.986 -0.746 1.00 0.97 H new ATOM 0 HB2 MET A 50 -2.276 18.205 1.334 1.00 1.17 H new ATOM 0 HB3 MET A 50 -1.121 19.156 0.421 1.00 1.17 H new ATOM 0 HG2 MET A 50 -2.794 20.859 -0.061 1.00 2.12 H new ATOM 0 HG3 MET A 50 -4.070 19.870 0.622 1.00 2.12 H new ATOM 0 HE1 MET A 50 -1.281 22.779 2.716 1.00 3.45 H new ATOM 0 HE2 MET A 50 -0.668 21.686 1.453 1.00 3.45 H new ATOM 0 HE3 MET A 50 -1.980 22.829 1.080 1.00 3.45 H new ATOM 764 N ARG A 51 -3.451 19.766 -2.498 1.00 0.84 N ATOM 765 CA ARG A 51 -3.469 20.556 -3.737 1.00 0.78 C ATOM 766 C ARG A 51 -4.546 21.648 -3.728 1.00 0.69 C ATOM 767 O ARG A 51 -5.624 21.471 -3.154 1.00 0.81 O ATOM 768 CB ARG A 51 -3.667 19.639 -4.961 1.00 0.94 C ATOM 769 CG ARG A 51 -4.833 18.642 -4.791 1.00 2.43 C ATOM 770 CD ARG A 51 -5.514 18.278 -6.115 1.00 2.94 C ATOM 771 NE ARG A 51 -6.724 17.487 -5.852 1.00 5.21 N ATOM 772 CZ ARG A 51 -7.721 17.239 -6.684 1.00 6.46 C ATOM 773 NH1 ARG A 51 -7.663 17.543 -7.966 1.00 5.96 N ATOM 774 NH2 ARG A 51 -8.798 16.654 -6.209 1.00 8.56 N ATOM 0 H ARG A 51 -4.340 19.797 -1.999 1.00 0.84 H new ATOM 0 HA ARG A 51 -2.501 21.053 -3.802 1.00 0.78 H new ATOM 0 HB2 ARG A 51 -3.849 20.254 -5.842 1.00 0.94 H new ATOM 0 HB3 ARG A 51 -2.747 19.084 -5.144 1.00 0.94 H new ATOM 0 HG2 ARG A 51 -4.459 17.733 -4.320 1.00 2.43 H new ATOM 0 HG3 ARG A 51 -5.573 19.070 -4.115 1.00 2.43 H new ATOM 0 HD2 ARG A 51 -5.773 19.184 -6.662 1.00 2.94 H new ATOM 0 HD3 ARG A 51 -4.827 17.711 -6.744 1.00 2.94 H new ATOM 0 HE ARG A 51 -6.804 17.082 -4.919 1.00 5.21 H new ATOM 0 HH11 ARG A 51 -6.827 17.986 -8.348 1.00 5.96 H new ATOM 0 HH12 ARG A 51 -8.454 17.335 -8.576 1.00 5.96 H new ATOM 0 HH21 ARG A 51 -8.849 16.404 -5.222 1.00 8.56 H new ATOM 0 HH22 ARG A 51 -9.583 16.450 -6.828 1.00 8.56 H new ATOM 788 N GLU A 52 -4.293 22.731 -4.445 1.00 0.75 N ATOM 789 CA GLU A 52 -5.265 23.787 -4.673 1.00 0.83 C ATOM 790 C GLU A 52 -6.226 23.420 -5.805 1.00 1.02 C ATOM 791 O GLU A 52 -5.799 22.985 -6.872 1.00 1.17 O ATOM 792 CB GLU A 52 -4.516 25.108 -4.938 1.00 1.08 C ATOM 793 CG GLU A 52 -4.837 26.147 -3.860 1.00 1.22 C ATOM 794 CD GLU A 52 -4.526 25.706 -2.425 1.00 1.61 C ATOM 795 OE1 GLU A 52 -3.835 24.677 -2.236 1.00 2.92 O ATOM 796 OE2 GLU A 52 -5.094 26.344 -1.514 1.00 1.83 O ATOM 0 H GLU A 52 -3.392 22.903 -4.892 1.00 0.75 H new ATOM 0 HA GLU A 52 -5.884 23.916 -3.785 1.00 0.83 H new ATOM 0 HB2 GLU A 52 -3.442 24.923 -4.961 1.00 1.08 H new ATOM 0 HB3 GLU A 52 -4.794 25.497 -5.917 1.00 1.08 H new ATOM 0 HG2 GLU A 52 -4.276 27.057 -4.075 1.00 1.22 H new ATOM 0 HG3 GLU A 52 -5.895 26.402 -3.925 1.00 1.22 H new ATOM 803 N VAL A 53 -7.521 23.626 -5.567 1.00 1.20 N ATOM 804 CA VAL A 53 -8.586 23.703 -6.582 1.00 1.50 C ATOM 805 C VAL A 53 -9.535 24.803 -6.095 1.00 1.71 C ATOM 806 O VAL A 53 -9.781 24.873 -4.896 1.00 1.91 O ATOM 807 CB VAL A 53 -9.341 22.361 -6.769 1.00 1.70 C ATOM 808 CG1 VAL A 53 -10.393 22.469 -7.888 1.00 2.05 C ATOM 809 CG2 VAL A 53 -8.414 21.183 -7.129 1.00 2.24 C ATOM 0 H VAL A 53 -7.879 23.750 -4.620 1.00 1.20 H new ATOM 0 HA VAL A 53 -8.162 23.924 -7.562 1.00 1.50 H new ATOM 0 HB VAL A 53 -9.807 22.164 -5.803 1.00 1.70 H new ATOM 0 HG11 VAL A 53 -10.907 21.514 -7.997 1.00 2.05 H new ATOM 0 HG12 VAL A 53 -11.117 23.244 -7.634 1.00 2.05 H new ATOM 0 HG13 VAL A 53 -9.901 22.726 -8.826 1.00 2.05 H new ATOM 0 HG21 VAL A 53 -9.007 20.276 -7.245 1.00 2.24 H new ATOM 0 HG22 VAL A 53 -7.896 21.400 -8.063 1.00 2.24 H new ATOM 0 HG23 VAL A 53 -7.683 21.039 -6.334 1.00 2.24 H new ATOM 819 N GLU A 54 -9.965 25.709 -6.983 1.00 1.95 N ATOM 820 CA GLU A 54 -10.721 26.947 -6.680 1.00 2.05 C ATOM 821 C GLU A 54 -9.891 28.040 -5.976 1.00 1.69 C ATOM 822 O GLU A 54 -10.428 29.057 -5.549 1.00 1.67 O ATOM 823 CB GLU A 54 -11.971 26.699 -5.809 1.00 2.31 C ATOM 824 CG GLU A 54 -12.953 25.589 -6.188 1.00 3.24 C ATOM 825 CD GLU A 54 -13.849 25.325 -4.980 1.00 3.71 C ATOM 826 OE1 GLU A 54 -14.610 26.231 -4.567 1.00 3.89 O ATOM 827 OE2 GLU A 54 -13.683 24.276 -4.315 1.00 4.49 O ATOM 0 H GLU A 54 -9.791 25.600 -7.982 1.00 1.95 H new ATOM 0 HA GLU A 54 -11.011 27.296 -7.671 1.00 2.05 H new ATOM 0 HB2 GLU A 54 -11.626 26.496 -4.795 1.00 2.31 H new ATOM 0 HB3 GLU A 54 -12.533 27.632 -5.773 1.00 2.31 H new ATOM 0 HG2 GLU A 54 -13.551 25.886 -7.049 1.00 3.24 H new ATOM 0 HG3 GLU A 54 -12.416 24.684 -6.470 1.00 3.24 H new ATOM 834 N GLY A 55 -8.590 27.809 -5.791 1.00 1.64 N ATOM 835 CA GLY A 55 -7.764 28.572 -4.839 1.00 1.63 C ATOM 836 C GLY A 55 -7.978 28.146 -3.379 1.00 1.35 C ATOM 837 O GLY A 55 -7.725 28.923 -2.463 1.00 1.57 O ATOM 0 H GLY A 55 -8.074 27.088 -6.295 1.00 1.64 H new ATOM 0 HA2 GLY A 55 -6.713 28.446 -5.097 1.00 1.63 H new ATOM 0 HA3 GLY A 55 -7.992 29.633 -4.939 1.00 1.63 H new ATOM 841 N LYS A 56 -8.459 26.917 -3.161 1.00 1.13 N ATOM 842 CA LYS A 56 -8.690 26.290 -1.863 1.00 1.20 C ATOM 843 C LYS A 56 -7.932 24.952 -1.789 1.00 1.07 C ATOM 844 O LYS A 56 -8.029 24.098 -2.680 1.00 0.99 O ATOM 845 CB LYS A 56 -10.204 26.056 -1.670 1.00 1.45 C ATOM 846 CG LYS A 56 -11.020 27.350 -1.471 1.00 1.89 C ATOM 847 CD LYS A 56 -12.494 27.193 -1.884 1.00 2.01 C ATOM 848 CE LYS A 56 -13.255 26.073 -1.157 1.00 3.51 C ATOM 849 NZ LYS A 56 -14.346 25.531 -2.005 1.00 3.83 N ATOM 0 H LYS A 56 -8.711 26.301 -3.934 1.00 1.13 H new ATOM 0 HA LYS A 56 -8.325 26.944 -1.071 1.00 1.20 H new ATOM 0 HB2 LYS A 56 -10.592 25.524 -2.539 1.00 1.45 H new ATOM 0 HB3 LYS A 56 -10.354 25.408 -0.806 1.00 1.45 H new ATOM 0 HG2 LYS A 56 -10.970 27.648 -0.424 1.00 1.89 H new ATOM 0 HG3 LYS A 56 -10.568 28.153 -2.053 1.00 1.89 H new ATOM 0 HD2 LYS A 56 -13.009 28.137 -1.705 1.00 2.01 H new ATOM 0 HD3 LYS A 56 -12.537 27.005 -2.957 1.00 2.01 H new ATOM 0 HE2 LYS A 56 -12.564 25.272 -0.892 1.00 3.51 H new ATOM 0 HE3 LYS A 56 -13.671 26.457 -0.225 1.00 3.51 H new ATOM 0 HZ1 LYS A 56 -15.167 25.302 -1.410 1.00 3.83 H new ATOM 0 HZ2 LYS A 56 -14.620 26.241 -2.714 1.00 3.83 H new ATOM 0 HZ3 LYS A 56 -14.016 24.670 -2.486 1.00 3.83 H new ATOM 863 N LYS A 57 -7.199 24.751 -0.699 1.00 1.21 N ATOM 864 CA LYS A 57 -6.388 23.553 -0.452 1.00 1.14 C ATOM 865 C LYS A 57 -7.242 22.317 -0.141 1.00 1.16 C ATOM 866 O LYS A 57 -7.547 22.025 1.017 1.00 1.84 O ATOM 867 CB LYS A 57 -5.333 23.800 0.640 1.00 1.37 C ATOM 868 CG LYS A 57 -5.844 24.527 1.899 1.00 1.67 C ATOM 869 CD LYS A 57 -5.020 24.172 3.148 1.00 2.86 C ATOM 870 CE LYS A 57 -5.623 23.017 3.968 1.00 4.65 C ATOM 871 NZ LYS A 57 -5.787 21.763 3.195 1.00 6.26 N ATOM 0 H LYS A 57 -7.148 25.431 0.059 1.00 1.21 H new ATOM 0 HA LYS A 57 -5.859 23.339 -1.381 1.00 1.14 H new ATOM 0 HB2 LYS A 57 -4.914 22.840 0.940 1.00 1.37 H new ATOM 0 HB3 LYS A 57 -4.519 24.383 0.210 1.00 1.37 H new ATOM 0 HG2 LYS A 57 -5.807 25.604 1.735 1.00 1.67 H new ATOM 0 HG3 LYS A 57 -6.889 24.266 2.069 1.00 1.67 H new ATOM 0 HD2 LYS A 57 -4.009 23.902 2.843 1.00 2.86 H new ATOM 0 HD3 LYS A 57 -4.937 25.054 3.783 1.00 2.86 H new ATOM 0 HE2 LYS A 57 -4.984 22.822 4.830 1.00 4.65 H new ATOM 0 HE3 LYS A 57 -6.594 23.325 4.355 1.00 4.65 H new ATOM 0 HZ1 LYS A 57 -6.181 21.024 3.812 1.00 6.26 H new ATOM 0 HZ2 LYS A 57 -6.433 21.929 2.397 1.00 6.26 H new ATOM 0 HZ3 LYS A 57 -4.862 21.455 2.833 1.00 6.26 H new ATOM 885 N VAL A 58 -7.556 21.558 -1.176 1.00 0.84 N ATOM 886 CA VAL A 58 -8.196 20.244 -1.146 1.00 0.90 C ATOM 887 C VAL A 58 -7.121 19.151 -1.180 1.00 0.84 C ATOM 888 O VAL A 58 -5.926 19.436 -1.092 1.00 1.08 O ATOM 889 CB VAL A 58 -9.226 20.108 -2.290 1.00 1.02 C ATOM 890 CG1 VAL A 58 -10.383 21.104 -2.119 1.00 2.50 C ATOM 891 CG2 VAL A 58 -8.619 20.240 -3.695 1.00 1.77 C ATOM 0 H VAL A 58 -7.359 21.861 -2.130 1.00 0.84 H new ATOM 0 HA VAL A 58 -8.756 20.128 -0.218 1.00 0.90 H new ATOM 0 HB VAL A 58 -9.608 19.090 -2.212 1.00 1.02 H new ATOM 0 HG11 VAL A 58 -11.091 20.984 -2.939 1.00 2.50 H new ATOM 0 HG12 VAL A 58 -10.889 20.915 -1.172 1.00 2.50 H new ATOM 0 HG13 VAL A 58 -9.991 22.121 -2.124 1.00 2.50 H new ATOM 0 HG21 VAL A 58 -9.405 20.133 -4.442 1.00 1.77 H new ATOM 0 HG22 VAL A 58 -8.151 21.219 -3.798 1.00 1.77 H new ATOM 0 HG23 VAL A 58 -7.870 19.462 -3.842 1.00 1.77 H new ATOM 901 N MET A 59 -7.534 17.888 -1.263 1.00 0.68 N ATOM 902 CA MET A 59 -6.622 16.749 -1.384 1.00 0.64 C ATOM 903 C MET A 59 -6.827 15.988 -2.700 1.00 0.66 C ATOM 904 O MET A 59 -7.763 16.258 -3.464 1.00 1.05 O ATOM 905 CB MET A 59 -6.701 15.875 -0.120 1.00 0.69 C ATOM 906 CG MET A 59 -6.111 16.617 1.095 1.00 0.78 C ATOM 907 SD MET A 59 -7.220 17.721 2.014 1.00 2.51 S ATOM 908 CE MET A 59 -7.599 16.639 3.417 1.00 2.96 C ATOM 0 H MET A 59 -8.519 17.623 -1.248 1.00 0.68 H new ATOM 0 HA MET A 59 -5.596 17.112 -1.443 1.00 0.64 H new ATOM 0 HB2 MET A 59 -7.739 15.609 0.079 1.00 0.69 H new ATOM 0 HB3 MET A 59 -6.159 14.944 -0.282 1.00 0.69 H new ATOM 0 HG2 MET A 59 -5.724 15.872 1.790 1.00 0.78 H new ATOM 0 HG3 MET A 59 -5.259 17.204 0.751 1.00 0.78 H new ATOM 0 HE1 MET A 59 -8.277 17.152 4.099 1.00 2.96 H new ATOM 0 HE2 MET A 59 -8.071 15.726 3.055 1.00 2.96 H new ATOM 0 HE3 MET A 59 -6.677 16.388 3.942 1.00 2.96 H new ATOM 918 N GLY A 60 -5.887 15.098 -3.017 1.00 0.57 N ATOM 919 CA GLY A 60 -5.836 14.314 -4.250 1.00 0.61 C ATOM 920 C GLY A 60 -5.110 12.985 -4.061 1.00 0.56 C ATOM 921 O GLY A 60 -4.483 12.741 -3.036 1.00 0.59 O ATOM 0 H GLY A 60 -5.106 14.895 -2.393 1.00 0.57 H new ATOM 0 HA2 GLY A 60 -6.851 14.125 -4.600 1.00 0.61 H new ATOM 0 HA3 GLY A 60 -5.334 14.893 -5.026 1.00 0.61 H new ATOM 925 N MET A 61 -5.211 12.131 -5.073 1.00 0.56 N ATOM 926 CA MET A 61 -4.600 10.802 -5.162 1.00 0.54 C ATOM 927 C MET A 61 -4.304 10.517 -6.633 1.00 0.59 C ATOM 928 O MET A 61 -5.024 10.987 -7.515 1.00 0.71 O ATOM 929 CB MET A 61 -5.565 9.786 -4.521 1.00 0.56 C ATOM 930 CG MET A 61 -5.352 8.299 -4.858 1.00 0.48 C ATOM 931 SD MET A 61 -6.746 7.167 -4.477 1.00 0.48 S ATOM 932 CE MET A 61 -7.409 7.897 -2.960 1.00 0.58 C ATOM 0 H MET A 61 -5.754 12.358 -5.906 1.00 0.56 H new ATOM 0 HA MET A 61 -3.656 10.734 -4.621 1.00 0.54 H new ATOM 0 HB2 MET A 61 -5.503 9.899 -3.439 1.00 0.56 H new ATOM 0 HB3 MET A 61 -6.580 10.056 -4.812 1.00 0.56 H new ATOM 0 HG2 MET A 61 -5.128 8.219 -5.922 1.00 0.48 H new ATOM 0 HG3 MET A 61 -4.471 7.950 -4.319 1.00 0.48 H new ATOM 0 HE1 MET A 61 -8.141 7.219 -2.520 1.00 0.58 H new ATOM 0 HE2 MET A 61 -6.597 8.065 -2.252 1.00 0.58 H new ATOM 0 HE3 MET A 61 -7.889 8.847 -3.193 1.00 0.58 H new ATOM 942 N ARG A 62 -3.229 9.772 -6.881 1.00 0.57 N ATOM 943 CA ARG A 62 -2.731 9.395 -8.205 1.00 0.63 C ATOM 944 C ARG A 62 -2.066 8.016 -8.111 1.00 0.58 C ATOM 945 O ARG A 62 -1.569 7.681 -7.032 1.00 0.59 O ATOM 946 CB ARG A 62 -1.689 10.427 -8.680 1.00 0.83 C ATOM 947 CG ARG A 62 -2.298 11.721 -9.243 1.00 1.16 C ATOM 948 CD ARG A 62 -1.262 12.579 -9.995 1.00 1.77 C ATOM 949 NE ARG A 62 -0.094 12.910 -9.157 1.00 3.18 N ATOM 950 CZ ARG A 62 1.073 13.422 -9.520 1.00 4.40 C ATOM 951 NH1 ARG A 62 1.289 13.906 -10.727 1.00 4.52 N ATOM 952 NH2 ARG A 62 2.040 13.436 -8.633 1.00 5.71 N ATOM 0 H ARG A 62 -2.652 9.396 -6.128 1.00 0.57 H new ATOM 0 HA ARG A 62 -3.559 9.365 -8.913 1.00 0.63 H new ATOM 0 HB2 ARG A 62 -1.036 10.679 -7.844 1.00 0.83 H new ATOM 0 HB3 ARG A 62 -1.063 9.969 -9.446 1.00 0.83 H new ATOM 0 HG2 ARG A 62 -3.117 11.471 -9.918 1.00 1.16 H new ATOM 0 HG3 ARG A 62 -2.725 12.304 -8.427 1.00 1.16 H new ATOM 0 HD2 ARG A 62 -0.928 12.045 -10.885 1.00 1.77 H new ATOM 0 HD3 ARG A 62 -1.735 13.500 -10.335 1.00 1.77 H new ATOM 0 HE ARG A 62 -0.199 12.718 -8.161 1.00 3.18 H new ATOM 0 HH11 ARG A 62 0.542 13.895 -11.422 1.00 4.52 H new ATOM 0 HH12 ARG A 62 2.203 14.291 -10.966 1.00 4.52 H new ATOM 0 HH21 ARG A 62 1.880 13.060 -7.698 1.00 5.71 H new ATOM 0 HH22 ARG A 62 2.951 13.823 -8.878 1.00 5.71 H new ATOM 966 N PRO A 63 -2.009 7.227 -9.199 1.00 0.59 N ATOM 967 CA PRO A 63 -1.120 6.084 -9.265 1.00 0.58 C ATOM 968 C PRO A 63 0.326 6.545 -9.480 1.00 0.60 C ATOM 969 O PRO A 63 0.553 7.623 -10.025 1.00 0.65 O ATOM 970 CB PRO A 63 -1.638 5.239 -10.419 1.00 0.60 C ATOM 971 CG PRO A 63 -2.165 6.299 -11.391 1.00 0.64 C ATOM 972 CD PRO A 63 -2.713 7.390 -10.463 1.00 0.63 C ATOM 0 HA PRO A 63 -1.109 5.506 -8.341 1.00 0.58 H new ATOM 0 HB2 PRO A 63 -0.849 4.634 -10.866 1.00 0.60 H new ATOM 0 HB3 PRO A 63 -2.423 4.554 -10.100 1.00 0.60 H new ATOM 0 HG2 PRO A 63 -1.374 6.681 -12.037 1.00 0.64 H new ATOM 0 HG3 PRO A 63 -2.942 5.897 -12.042 1.00 0.64 H new ATOM 0 HD2 PRO A 63 -2.541 8.382 -10.881 1.00 0.63 H new ATOM 0 HD3 PRO A 63 -3.789 7.284 -10.328 1.00 0.63 H new ATOM 980 N VAL A 64 1.286 5.723 -9.053 1.00 0.59 N ATOM 981 CA VAL A 64 2.738 5.981 -9.150 1.00 0.62 C ATOM 982 C VAL A 64 3.468 4.702 -9.602 1.00 0.62 C ATOM 983 O VAL A 64 2.921 3.612 -9.416 1.00 0.58 O ATOM 984 CB VAL A 64 3.320 6.535 -7.824 1.00 0.64 C ATOM 985 CG1 VAL A 64 2.776 7.936 -7.539 1.00 0.73 C ATOM 986 CG2 VAL A 64 3.082 5.631 -6.607 1.00 0.68 C ATOM 0 H VAL A 64 1.075 4.827 -8.614 1.00 0.59 H new ATOM 0 HA VAL A 64 2.897 6.755 -9.900 1.00 0.62 H new ATOM 0 HB VAL A 64 4.399 6.572 -7.975 1.00 0.64 H new ATOM 0 HG11 VAL A 64 3.197 8.306 -6.604 1.00 0.73 H new ATOM 0 HG12 VAL A 64 3.053 8.606 -8.353 1.00 0.73 H new ATOM 0 HG13 VAL A 64 1.690 7.895 -7.457 1.00 0.73 H new ATOM 0 HG21 VAL A 64 3.520 6.091 -5.721 1.00 0.68 H new ATOM 0 HG22 VAL A 64 2.011 5.499 -6.456 1.00 0.68 H new ATOM 0 HG23 VAL A 64 3.546 4.660 -6.779 1.00 0.68 H new ATOM 996 N PRO A 65 4.655 4.803 -10.237 1.00 0.66 N ATOM 997 CA PRO A 65 5.265 3.681 -10.949 1.00 0.65 C ATOM 998 C PRO A 65 5.959 2.694 -10.012 1.00 0.58 C ATOM 999 O PRO A 65 6.041 1.521 -10.354 1.00 0.57 O ATOM 1000 CB PRO A 65 6.243 4.323 -11.938 1.00 0.74 C ATOM 1001 CG PRO A 65 6.705 5.580 -11.206 1.00 0.76 C ATOM 1002 CD PRO A 65 5.457 6.007 -10.433 1.00 0.73 C ATOM 0 HA PRO A 65 4.512 3.078 -11.456 1.00 0.65 H new ATOM 0 HB2 PRO A 65 7.078 3.660 -12.166 1.00 0.74 H new ATOM 0 HB3 PRO A 65 5.759 4.563 -12.884 1.00 0.74 H new ATOM 0 HG2 PRO A 65 7.542 5.374 -10.539 1.00 0.76 H new ATOM 0 HG3 PRO A 65 7.034 6.353 -11.900 1.00 0.76 H new ATOM 0 HD2 PRO A 65 5.728 6.452 -9.476 1.00 0.73 H new ATOM 0 HD3 PRO A 65 4.897 6.760 -10.987 1.00 0.73 H new ATOM 1010 N PHE A 66 6.425 3.159 -8.847 1.00 0.55 N ATOM 1011 CA PHE A 66 7.112 2.358 -7.826 1.00 0.49 C ATOM 1012 C PHE A 66 7.411 3.176 -6.557 1.00 0.52 C ATOM 1013 O PHE A 66 7.354 4.406 -6.565 1.00 0.62 O ATOM 1014 CB PHE A 66 8.405 1.733 -8.381 1.00 0.48 C ATOM 1015 CG PHE A 66 9.425 2.750 -8.826 1.00 0.52 C ATOM 1016 CD1 PHE A 66 10.281 3.332 -7.881 1.00 1.98 C ATOM 1017 CD2 PHE A 66 9.468 3.156 -10.168 1.00 1.61 C ATOM 1018 CE1 PHE A 66 11.160 4.353 -8.255 1.00 2.03 C ATOM 1019 CE2 PHE A 66 10.377 4.158 -10.560 1.00 1.61 C ATOM 1020 CZ PHE A 66 11.217 4.763 -9.601 1.00 0.63 C ATOM 0 H PHE A 66 6.331 4.139 -8.579 1.00 0.55 H new ATOM 0 HA PHE A 66 6.432 1.552 -7.548 1.00 0.49 H new ATOM 0 HB2 PHE A 66 8.849 1.097 -7.615 1.00 0.48 H new ATOM 0 HB3 PHE A 66 8.154 1.089 -9.224 1.00 0.48 H new ATOM 0 HD1 PHE A 66 10.261 2.989 -6.857 1.00 1.98 H new ATOM 0 HD2 PHE A 66 8.809 2.704 -10.895 1.00 1.61 H new ATOM 0 HE1 PHE A 66 11.791 4.824 -7.516 1.00 2.03 H new ATOM 0 HE2 PHE A 66 10.431 4.463 -11.595 1.00 1.61 H new ATOM 0 HZ PHE A 66 11.904 5.541 -9.900 1.00 0.63 H new ATOM 1030 N LEU A 67 7.813 2.480 -5.487 1.00 0.49 N ATOM 1031 CA LEU A 67 8.512 3.043 -4.320 1.00 0.57 C ATOM 1032 C LEU A 67 9.965 2.551 -4.263 1.00 0.58 C ATOM 1033 O LEU A 67 10.238 1.453 -4.732 1.00 0.53 O ATOM 1034 CB LEU A 67 7.813 2.592 -3.023 1.00 0.62 C ATOM 1035 CG LEU A 67 6.326 2.949 -2.873 1.00 0.62 C ATOM 1036 CD1 LEU A 67 5.904 2.620 -1.438 1.00 0.70 C ATOM 1037 CD2 LEU A 67 6.024 4.423 -3.155 1.00 0.79 C ATOM 0 H LEU A 67 7.657 1.475 -5.405 1.00 0.49 H new ATOM 0 HA LEU A 67 8.492 4.129 -4.414 1.00 0.57 H new ATOM 0 HB2 LEU A 67 7.911 1.509 -2.944 1.00 0.62 H new ATOM 0 HB3 LEU A 67 8.352 3.024 -2.180 1.00 0.62 H new ATOM 0 HG LEU A 67 5.770 2.369 -3.609 1.00 0.62 H new ATOM 0 HD11 LEU A 67 4.850 2.864 -1.304 1.00 0.70 H new ATOM 0 HD12 LEU A 67 6.057 1.558 -1.248 1.00 0.70 H new ATOM 0 HD13 LEU A 67 6.504 3.204 -0.740 1.00 0.70 H new ATOM 0 HD21 LEU A 67 4.957 4.606 -3.031 1.00 0.79 H new ATOM 0 HD22 LEU A 67 6.583 5.049 -2.459 1.00 0.79 H new ATOM 0 HD23 LEU A 67 6.317 4.666 -4.176 1.00 0.79 H new ATOM 1049 N GLU A 68 10.863 3.320 -3.646 1.00 0.66 N ATOM 1050 CA GLU A 68 12.296 3.012 -3.480 1.00 0.67 C ATOM 1051 C GLU A 68 12.678 3.068 -1.992 1.00 0.72 C ATOM 1052 O GLU A 68 12.216 3.975 -1.298 1.00 0.80 O ATOM 1053 CB GLU A 68 13.131 4.061 -4.238 1.00 0.78 C ATOM 1054 CG GLU A 68 14.656 3.828 -4.194 1.00 0.78 C ATOM 1055 CD GLU A 68 15.146 2.830 -5.248 1.00 0.94 C ATOM 1056 OE1 GLU A 68 14.349 1.997 -5.719 1.00 2.21 O ATOM 1057 OE2 GLU A 68 16.312 2.934 -5.686 1.00 1.70 O ATOM 0 H GLU A 68 10.607 4.215 -3.228 1.00 0.66 H new ATOM 0 HA GLU A 68 12.491 2.014 -3.872 1.00 0.67 H new ATOM 0 HB2 GLU A 68 12.810 4.077 -5.279 1.00 0.78 H new ATOM 0 HB3 GLU A 68 12.916 5.046 -3.823 1.00 0.78 H new ATOM 0 HG2 GLU A 68 15.167 4.780 -4.340 1.00 0.78 H new ATOM 0 HG3 GLU A 68 14.933 3.466 -3.204 1.00 0.78 H new ATOM 1064 N VAL A 69 13.547 2.157 -1.520 1.00 0.73 N ATOM 1065 CA VAL A 69 14.106 2.196 -0.148 1.00 0.78 C ATOM 1066 C VAL A 69 15.556 1.668 -0.060 1.00 0.88 C ATOM 1067 O VAL A 69 15.845 0.600 -0.607 1.00 0.90 O ATOM 1068 CB VAL A 69 13.213 1.413 0.856 1.00 0.76 C ATOM 1069 CG1 VAL A 69 13.731 1.374 2.307 1.00 0.86 C ATOM 1070 CG2 VAL A 69 11.789 1.976 0.934 1.00 0.91 C ATOM 0 H VAL A 69 13.885 1.371 -2.075 1.00 0.73 H new ATOM 0 HA VAL A 69 14.122 3.252 0.122 1.00 0.78 H new ATOM 0 HB VAL A 69 13.235 0.405 0.442 1.00 0.76 H new ATOM 0 HG11 VAL A 69 13.037 0.805 2.926 1.00 0.86 H new ATOM 0 HG12 VAL A 69 14.712 0.899 2.331 1.00 0.86 H new ATOM 0 HG13 VAL A 69 13.811 2.391 2.692 1.00 0.86 H new ATOM 0 HG21 VAL A 69 11.206 1.394 1.648 1.00 0.91 H new ATOM 0 HG22 VAL A 69 11.826 3.016 1.258 1.00 0.91 H new ATOM 0 HG23 VAL A 69 11.321 1.918 -0.049 1.00 0.91 H new ATOM 1080 N PRO A 70 16.466 2.370 0.657 1.00 1.00 N ATOM 1081 CA PRO A 70 17.866 1.974 0.834 1.00 1.13 C ATOM 1082 C PRO A 70 18.048 0.739 1.744 1.00 1.16 C ATOM 1083 O PRO A 70 17.130 0.375 2.481 1.00 1.15 O ATOM 1084 CB PRO A 70 18.566 3.211 1.419 1.00 1.28 C ATOM 1085 CG PRO A 70 17.453 3.913 2.190 1.00 1.21 C ATOM 1086 CD PRO A 70 16.243 3.662 1.299 1.00 1.06 C ATOM 0 HA PRO A 70 18.295 1.665 -0.119 1.00 1.13 H new ATOM 0 HB2 PRO A 70 19.394 2.934 2.071 1.00 1.28 H new ATOM 0 HB3 PRO A 70 18.977 3.848 0.636 1.00 1.28 H new ATOM 0 HG2 PRO A 70 17.320 3.493 3.187 1.00 1.21 H new ATOM 0 HG3 PRO A 70 17.653 4.977 2.317 1.00 1.21 H new ATOM 0 HD2 PRO A 70 15.324 3.651 1.885 1.00 1.06 H new ATOM 0 HD3 PRO A 70 16.137 4.452 0.556 1.00 1.06 H new ATOM 1094 N PRO A 71 19.227 0.088 1.705 1.00 1.23 N ATOM 1095 CA PRO A 71 19.506 -1.137 2.452 1.00 1.33 C ATOM 1096 C PRO A 71 19.517 -0.956 3.970 1.00 1.53 C ATOM 1097 O PRO A 71 19.923 0.084 4.488 1.00 1.67 O ATOM 1098 CB PRO A 71 20.839 -1.654 1.922 1.00 1.47 C ATOM 1099 CG PRO A 71 21.519 -0.430 1.321 1.00 1.47 C ATOM 1100 CD PRO A 71 20.347 0.411 0.833 1.00 1.28 C ATOM 0 HA PRO A 71 18.702 -1.856 2.296 1.00 1.33 H new ATOM 0 HB2 PRO A 71 21.440 -2.089 2.720 1.00 1.47 H new ATOM 0 HB3 PRO A 71 20.692 -2.433 1.173 1.00 1.47 H new ATOM 0 HG2 PRO A 71 22.117 0.103 2.060 1.00 1.47 H new ATOM 0 HG3 PRO A 71 22.188 -0.701 0.505 1.00 1.47 H new ATOM 0 HD2 PRO A 71 20.584 1.474 0.880 1.00 1.28 H new ATOM 0 HD3 PRO A 71 20.110 0.183 -0.206 1.00 1.28 H new ATOM 1108 N LYS A 72 19.046 -1.997 4.669 1.00 1.61 N ATOM 1109 CA LYS A 72 18.925 -2.130 6.135 1.00 1.89 C ATOM 1110 C LYS A 72 17.859 -1.224 6.776 1.00 1.98 C ATOM 1111 O LYS A 72 17.592 -1.326 7.973 1.00 2.29 O ATOM 1112 CB LYS A 72 20.299 -1.989 6.817 1.00 2.11 C ATOM 1113 CG LYS A 72 21.411 -2.822 6.160 1.00 2.14 C ATOM 1114 CD LYS A 72 21.131 -4.335 6.117 1.00 2.28 C ATOM 1115 CE LYS A 72 22.215 -5.011 5.275 1.00 2.49 C ATOM 1116 NZ LYS A 72 21.975 -6.459 5.083 1.00 3.10 N ATOM 0 H LYS A 72 18.713 -2.835 4.192 1.00 1.61 H new ATOM 0 HA LYS A 72 18.556 -3.141 6.310 1.00 1.89 H new ATOM 0 HB2 LYS A 72 20.592 -0.939 6.808 1.00 2.11 H new ATOM 0 HB3 LYS A 72 20.207 -2.285 7.862 1.00 2.11 H new ATOM 0 HG2 LYS A 72 21.563 -2.464 5.142 1.00 2.14 H new ATOM 0 HG3 LYS A 72 22.343 -2.652 6.700 1.00 2.14 H new ATOM 0 HD2 LYS A 72 21.125 -4.747 7.126 1.00 2.28 H new ATOM 0 HD3 LYS A 72 20.147 -4.525 5.689 1.00 2.28 H new ATOM 0 HE2 LYS A 72 22.268 -4.524 4.301 1.00 2.49 H new ATOM 0 HE3 LYS A 72 23.183 -4.869 5.756 1.00 2.49 H new ATOM 0 HZ1 LYS A 72 22.691 -7.002 5.607 1.00 3.10 H new ATOM 0 HZ2 LYS A 72 21.028 -6.704 5.436 1.00 3.10 H new ATOM 0 HZ3 LYS A 72 22.038 -6.690 4.071 1.00 3.10 H new ATOM 1130 N GLY A 73 17.240 -0.353 5.977 1.00 1.77 N ATOM 1131 CA GLY A 73 16.147 0.541 6.378 1.00 1.90 C ATOM 1132 C GLY A 73 14.760 -0.079 6.191 1.00 1.71 C ATOM 1133 O GLY A 73 14.598 -1.092 5.506 1.00 1.55 O ATOM 0 H GLY A 73 17.494 -0.245 4.995 1.00 1.77 H new ATOM 0 HA2 GLY A 73 16.277 0.816 7.425 1.00 1.90 H new ATOM 0 HA3 GLY A 73 16.208 1.461 5.797 1.00 1.90 H new ATOM 1137 N ARG A 74 13.745 0.587 6.760 1.00 1.84 N ATOM 1138 CA ARG A 74 12.337 0.378 6.410 1.00 1.61 C ATOM 1139 C ARG A 74 11.531 1.674 6.459 1.00 1.74 C ATOM 1140 O ARG A 74 11.893 2.587 7.195 1.00 2.46 O ATOM 1141 CB ARG A 74 11.695 -0.783 7.180 1.00 2.61 C ATOM 1142 CG ARG A 74 11.398 -0.721 8.685 1.00 2.69 C ATOM 1143 CD ARG A 74 10.653 -1.998 9.038 1.00 3.92 C ATOM 1144 NE ARG A 74 10.449 -2.214 10.476 1.00 4.08 N ATOM 1145 CZ ARG A 74 10.101 -3.372 11.032 1.00 5.26 C ATOM 1146 NH1 ARG A 74 9.878 -4.477 10.347 1.00 6.51 N ATOM 1147 NH2 ARG A 74 9.960 -3.433 12.339 1.00 5.59 N ATOM 0 H ARG A 74 13.882 1.293 7.483 1.00 1.84 H new ATOM 0 HA ARG A 74 12.318 0.062 5.367 1.00 1.61 H new ATOM 0 HB2 ARG A 74 10.747 -0.997 6.685 1.00 2.61 H new ATOM 0 HB3 ARG A 74 12.337 -1.650 7.026 1.00 2.61 H new ATOM 0 HG2 ARG A 74 12.322 -0.641 9.258 1.00 2.69 H new ATOM 0 HG3 ARG A 74 10.797 0.156 8.925 1.00 2.69 H new ATOM 0 HD2 ARG A 74 9.681 -1.983 8.546 1.00 3.92 H new ATOM 0 HD3 ARG A 74 11.203 -2.847 8.632 1.00 3.92 H new ATOM 0 HE ARG A 74 10.584 -1.416 11.096 1.00 4.08 H new ATOM 0 HH11 ARG A 74 9.970 -4.475 9.331 1.00 6.51 H new ATOM 0 HH12 ARG A 74 9.614 -5.334 10.833 1.00 6.51 H new ATOM 0 HH21 ARG A 74 10.117 -2.601 12.908 1.00 5.59 H new ATOM 0 HH22 ARG A 74 9.694 -4.312 12.783 1.00 5.59 H new ATOM 1161 N VAL A 75 10.512 1.754 5.602 1.00 1.49 N ATOM 1162 CA VAL A 75 9.730 2.962 5.281 1.00 2.08 C ATOM 1163 C VAL A 75 8.347 2.530 4.770 1.00 1.51 C ATOM 1164 O VAL A 75 8.194 2.153 3.610 1.00 1.83 O ATOM 1165 CB VAL A 75 10.428 3.847 4.212 1.00 2.99 C ATOM 1166 CG1 VAL A 75 9.594 5.106 3.912 1.00 3.83 C ATOM 1167 CG2 VAL A 75 11.851 4.308 4.575 1.00 3.60 C ATOM 0 H VAL A 75 10.188 0.938 5.083 1.00 1.49 H new ATOM 0 HA VAL A 75 9.640 3.561 6.187 1.00 2.08 H new ATOM 0 HB VAL A 75 10.507 3.194 3.343 1.00 2.99 H new ATOM 0 HG11 VAL A 75 10.103 5.709 3.161 1.00 3.83 H new ATOM 0 HG12 VAL A 75 8.613 4.812 3.538 1.00 3.83 H new ATOM 0 HG13 VAL A 75 9.474 5.689 4.825 1.00 3.83 H new ATOM 0 HG21 VAL A 75 12.253 4.919 3.767 1.00 3.60 H new ATOM 0 HG22 VAL A 75 11.820 4.895 5.493 1.00 3.60 H new ATOM 0 HG23 VAL A 75 12.489 3.437 4.723 1.00 3.60 H new ATOM 1177 N GLU A 76 7.328 2.583 5.621 1.00 1.60 N ATOM 1178 CA GLU A 76 6.010 1.999 5.353 1.00 1.31 C ATOM 1179 C GLU A 76 5.152 2.891 4.421 1.00 1.12 C ATOM 1180 O GLU A 76 5.512 4.030 4.092 1.00 1.25 O ATOM 1181 CB GLU A 76 5.285 1.597 6.673 1.00 1.96 C ATOM 1182 CG GLU A 76 6.180 1.143 7.846 1.00 2.87 C ATOM 1183 CD GLU A 76 6.729 2.299 8.689 1.00 2.93 C ATOM 1184 OE1 GLU A 76 7.759 2.874 8.278 1.00 3.29 O ATOM 1185 OE2 GLU A 76 6.130 2.587 9.745 1.00 3.68 O ATOM 0 H GLU A 76 7.391 3.039 6.531 1.00 1.60 H new ATOM 0 HA GLU A 76 6.165 1.073 4.799 1.00 1.31 H new ATOM 0 HB2 GLU A 76 4.691 2.448 7.008 1.00 1.96 H new ATOM 0 HB3 GLU A 76 4.587 0.791 6.446 1.00 1.96 H new ATOM 0 HG2 GLU A 76 5.608 0.476 8.490 1.00 2.87 H new ATOM 0 HG3 GLU A 76 7.015 0.565 7.451 1.00 2.87 H new ATOM 1192 N LEU A 77 3.997 2.391 3.961 1.00 0.93 N ATOM 1193 CA LEU A 77 3.016 3.145 3.170 1.00 0.82 C ATOM 1194 C LEU A 77 2.112 3.980 4.101 1.00 1.11 C ATOM 1195 O LEU A 77 0.928 3.710 4.289 1.00 2.05 O ATOM 1196 CB LEU A 77 2.239 2.209 2.220 1.00 0.66 C ATOM 1197 CG LEU A 77 2.949 1.833 0.899 1.00 0.64 C ATOM 1198 CD1 LEU A 77 4.064 0.787 1.026 1.00 0.65 C ATOM 1199 CD2 LEU A 77 1.903 1.335 -0.097 1.00 0.92 C ATOM 0 H LEU A 77 3.712 1.427 4.133 1.00 0.93 H new ATOM 0 HA LEU A 77 3.533 3.855 2.524 1.00 0.82 H new ATOM 0 HB2 LEU A 77 2.008 1.290 2.758 1.00 0.66 H new ATOM 0 HB3 LEU A 77 1.288 2.682 1.975 1.00 0.66 H new ATOM 0 HG LEU A 77 3.445 2.742 0.560 1.00 0.64 H new ATOM 0 HD11 LEU A 77 4.496 0.595 0.044 1.00 0.65 H new ATOM 0 HD12 LEU A 77 4.838 1.160 1.697 1.00 0.65 H new ATOM 0 HD13 LEU A 77 3.651 -0.138 1.428 1.00 0.65 H new ATOM 0 HD21 LEU A 77 2.391 1.066 -1.034 1.00 0.92 H new ATOM 0 HD22 LEU A 77 1.398 0.460 0.313 1.00 0.92 H new ATOM 0 HD23 LEU A 77 1.172 2.123 -0.282 1.00 0.92 H new ATOM 1211 N LYS A 78 2.714 5.013 4.698 1.00 1.19 N ATOM 1212 CA LYS A 78 2.081 6.060 5.512 1.00 1.29 C ATOM 1213 C LYS A 78 0.682 6.476 4.995 1.00 1.14 C ATOM 1214 O LYS A 78 0.578 7.016 3.887 1.00 1.18 O ATOM 1215 CB LYS A 78 3.024 7.283 5.694 1.00 1.57 C ATOM 1216 CG LYS A 78 3.737 7.896 4.458 1.00 1.50 C ATOM 1217 CD LYS A 78 4.795 6.943 3.883 1.00 2.53 C ATOM 1218 CE LYS A 78 5.937 7.537 3.066 1.00 3.02 C ATOM 1219 NZ LYS A 78 6.835 6.435 2.636 1.00 4.33 N ATOM 0 H LYS A 78 3.722 5.151 4.622 1.00 1.19 H new ATOM 0 HA LYS A 78 1.910 5.623 6.496 1.00 1.29 H new ATOM 0 HB2 LYS A 78 2.441 8.077 6.161 1.00 1.57 H new ATOM 0 HB3 LYS A 78 3.797 6.995 6.406 1.00 1.57 H new ATOM 0 HG2 LYS A 78 2.999 8.127 3.690 1.00 1.50 H new ATOM 0 HG3 LYS A 78 4.209 8.837 4.740 1.00 1.50 H new ATOM 0 HD2 LYS A 78 5.233 6.392 4.715 1.00 2.53 H new ATOM 0 HD3 LYS A 78 4.281 6.216 3.255 1.00 2.53 H new ATOM 0 HE2 LYS A 78 5.545 8.067 2.198 1.00 3.02 H new ATOM 0 HE3 LYS A 78 6.489 8.265 3.661 1.00 3.02 H new ATOM 0 HZ1 LYS A 78 7.825 6.720 2.774 1.00 4.33 H new ATOM 0 HZ2 LYS A 78 6.637 5.585 3.202 1.00 4.33 H new ATOM 0 HZ3 LYS A 78 6.672 6.227 1.630 1.00 4.33 H new ATOM 1233 N PRO A 79 -0.381 6.317 5.813 1.00 1.20 N ATOM 1234 CA PRO A 79 -1.754 6.154 5.340 1.00 1.39 C ATOM 1235 C PRO A 79 -2.424 7.421 4.802 1.00 1.35 C ATOM 1236 O PRO A 79 -3.515 7.324 4.242 1.00 2.29 O ATOM 1237 CB PRO A 79 -2.529 5.605 6.547 1.00 1.82 C ATOM 1238 CG PRO A 79 -1.796 6.269 7.709 1.00 1.58 C ATOM 1239 CD PRO A 79 -0.346 6.120 7.255 1.00 1.46 C ATOM 0 HA PRO A 79 -1.751 5.490 4.475 1.00 1.39 H new ATOM 0 HB2 PRO A 79 -3.583 5.880 6.517 1.00 1.82 H new ATOM 0 HB3 PRO A 79 -2.485 4.517 6.602 1.00 1.82 H new ATOM 0 HG2 PRO A 79 -2.084 7.312 7.837 1.00 1.58 H new ATOM 0 HG3 PRO A 79 -1.986 5.767 8.658 1.00 1.58 H new ATOM 0 HD2 PRO A 79 0.297 6.856 7.738 1.00 1.46 H new ATOM 0 HD3 PRO A 79 0.048 5.136 7.510 1.00 1.46 H new ATOM 1247 N GLY A 80 -1.798 8.590 4.977 1.00 1.07 N ATOM 1248 CA GLY A 80 -2.242 9.860 4.398 1.00 1.22 C ATOM 1249 C GLY A 80 -1.477 10.282 3.141 1.00 1.14 C ATOM 1250 O GLY A 80 -1.811 11.325 2.591 1.00 1.90 O ATOM 0 H GLY A 80 -0.950 8.680 5.537 1.00 1.07 H new ATOM 0 HA2 GLY A 80 -3.302 9.784 4.156 1.00 1.22 H new ATOM 0 HA3 GLY A 80 -2.142 10.643 5.150 1.00 1.22 H new ATOM 1254 N GLY A 81 -0.461 9.525 2.687 1.00 0.79 N ATOM 1255 CA GLY A 81 0.340 9.889 1.498 1.00 0.81 C ATOM 1256 C GLY A 81 0.733 8.775 0.540 1.00 0.90 C ATOM 1257 O GLY A 81 1.084 9.059 -0.598 1.00 1.98 O ATOM 0 H GLY A 81 -0.172 8.651 3.127 1.00 0.79 H new ATOM 0 HA2 GLY A 81 -0.219 10.635 0.933 1.00 0.81 H new ATOM 0 HA3 GLY A 81 1.254 10.371 1.845 1.00 0.81 H new ATOM 1261 N TYR A 82 0.666 7.512 0.953 1.00 0.99 N ATOM 1262 CA TYR A 82 0.814 6.342 0.074 1.00 0.96 C ATOM 1263 C TYR A 82 -0.076 5.178 0.506 1.00 0.99 C ATOM 1264 O TYR A 82 -0.300 4.953 1.693 1.00 1.16 O ATOM 1265 CB TYR A 82 2.267 5.861 0.012 1.00 1.12 C ATOM 1266 CG TYR A 82 3.193 6.833 -0.684 1.00 1.12 C ATOM 1267 CD1 TYR A 82 3.307 6.820 -2.088 1.00 1.53 C ATOM 1268 CD2 TYR A 82 3.868 7.806 0.072 1.00 2.39 C ATOM 1269 CE1 TYR A 82 4.110 7.773 -2.740 1.00 1.53 C ATOM 1270 CE2 TYR A 82 4.642 8.782 -0.574 1.00 2.47 C ATOM 1271 CZ TYR A 82 4.761 8.774 -1.981 1.00 1.27 C ATOM 1272 OH TYR A 82 5.476 9.748 -2.603 1.00 1.40 O ATOM 0 H TYR A 82 0.504 7.262 1.928 1.00 0.99 H new ATOM 0 HA TYR A 82 0.501 6.673 -0.916 1.00 0.96 H new ATOM 0 HB2 TYR A 82 2.628 5.689 1.026 1.00 1.12 H new ATOM 0 HB3 TYR A 82 2.303 4.903 -0.506 1.00 1.12 H new ATOM 0 HD1 TYR A 82 2.777 6.077 -2.665 1.00 1.53 H new ATOM 0 HD2 TYR A 82 3.791 7.803 1.149 1.00 2.39 H new ATOM 0 HE1 TYR A 82 4.229 7.741 -3.813 1.00 1.53 H new ATOM 0 HE2 TYR A 82 5.147 9.540 0.006 1.00 2.47 H new ATOM 0 HH TYR A 82 5.856 10.354 -1.933 1.00 1.40 H new ATOM 1282 N HIS A 83 -0.573 4.442 -0.481 1.00 0.83 N ATOM 1283 CA HIS A 83 -1.325 3.199 -0.320 1.00 0.69 C ATOM 1284 C HIS A 83 -1.326 2.410 -1.644 1.00 0.52 C ATOM 1285 O HIS A 83 -1.246 3.012 -2.712 1.00 0.58 O ATOM 1286 CB HIS A 83 -2.744 3.514 0.174 1.00 0.74 C ATOM 1287 CG HIS A 83 -3.519 4.404 -0.757 1.00 0.64 C ATOM 1288 ND1 HIS A 83 -3.324 5.754 -0.961 1.00 0.63 N ATOM 1289 CD2 HIS A 83 -4.437 3.986 -1.679 1.00 0.56 C ATOM 1290 CE1 HIS A 83 -4.070 6.126 -2.009 1.00 0.53 C ATOM 1291 NE2 HIS A 83 -4.792 5.088 -2.444 1.00 0.50 N ATOM 0 H HIS A 83 -0.459 4.705 -1.460 1.00 0.83 H new ATOM 0 HA HIS A 83 -0.849 2.568 0.431 1.00 0.69 H new ATOM 0 HB2 HIS A 83 -3.289 2.580 0.309 1.00 0.74 H new ATOM 0 HB3 HIS A 83 -2.682 3.991 1.152 1.00 0.74 H new ATOM 0 HD1 HIS A 83 -2.718 6.362 -0.410 1.00 0.63 H new ATOM 0 HD2 HIS A 83 -4.817 2.981 -1.792 1.00 0.56 H new ATOM 0 HE1 HIS A 83 -4.086 7.117 -2.439 1.00 0.53 H new ATOM 1299 N PHE A 84 -1.504 1.091 -1.606 1.00 0.42 N ATOM 1300 CA PHE A 84 -1.989 0.357 -2.783 1.00 0.45 C ATOM 1301 C PHE A 84 -3.512 0.531 -2.884 1.00 0.45 C ATOM 1302 O PHE A 84 -4.171 0.633 -1.850 1.00 0.51 O ATOM 1303 CB PHE A 84 -1.647 -1.137 -2.681 1.00 0.53 C ATOM 1304 CG PHE A 84 -0.181 -1.418 -2.899 1.00 0.57 C ATOM 1305 CD1 PHE A 84 0.711 -1.332 -1.818 1.00 1.88 C ATOM 1306 CD2 PHE A 84 0.300 -1.690 -4.191 1.00 2.33 C ATOM 1307 CE1 PHE A 84 2.090 -1.456 -2.040 1.00 1.90 C ATOM 1308 CE2 PHE A 84 1.677 -1.848 -4.408 1.00 2.39 C ATOM 1309 CZ PHE A 84 2.570 -1.714 -3.332 1.00 0.82 C ATOM 0 H PHE A 84 -1.324 0.511 -0.787 1.00 0.42 H new ATOM 0 HA PHE A 84 -1.502 0.756 -3.673 1.00 0.45 H new ATOM 0 HB2 PHE A 84 -1.941 -1.506 -1.698 1.00 0.53 H new ATOM 0 HB3 PHE A 84 -2.231 -1.690 -3.417 1.00 0.53 H new ATOM 0 HD1 PHE A 84 0.336 -1.171 -0.818 1.00 1.88 H new ATOM 0 HD2 PHE A 84 -0.390 -1.777 -5.017 1.00 2.33 H new ATOM 0 HE1 PHE A 84 2.782 -1.353 -1.217 1.00 1.90 H new ATOM 0 HE2 PHE A 84 2.049 -2.071 -5.397 1.00 2.39 H new ATOM 0 HZ PHE A 84 3.632 -1.810 -3.501 1.00 0.82 H new ATOM 1319 N MET A 85 -4.081 0.487 -4.089 1.00 0.43 N ATOM 1320 CA MET A 85 -5.509 0.267 -4.366 1.00 0.43 C ATOM 1321 C MET A 85 -5.702 -1.197 -4.763 1.00 0.43 C ATOM 1322 O MET A 85 -4.957 -1.699 -5.600 1.00 0.47 O ATOM 1323 CB MET A 85 -5.998 1.164 -5.507 1.00 0.52 C ATOM 1324 CG MET A 85 -7.383 1.757 -5.211 1.00 0.63 C ATOM 1325 SD MET A 85 -7.393 3.020 -3.899 1.00 0.46 S ATOM 1326 CE MET A 85 -9.125 2.945 -3.357 1.00 0.47 C ATOM 0 H MET A 85 -3.536 0.609 -4.943 1.00 0.43 H new ATOM 0 HA MET A 85 -6.084 0.510 -3.472 1.00 0.43 H new ATOM 0 HB2 MET A 85 -5.283 1.971 -5.667 1.00 0.52 H new ATOM 0 HB3 MET A 85 -6.039 0.587 -6.431 1.00 0.52 H new ATOM 0 HG2 MET A 85 -7.780 2.197 -6.126 1.00 0.63 H new ATOM 0 HG3 MET A 85 -8.058 0.950 -4.927 1.00 0.63 H new ATOM 0 HE1 MET A 85 -9.286 3.664 -2.554 1.00 0.47 H new ATOM 0 HE2 MET A 85 -9.779 3.184 -4.195 1.00 0.47 H new ATOM 0 HE3 MET A 85 -9.350 1.942 -2.996 1.00 0.47 H new ATOM 1336 N LEU A 86 -6.666 -1.887 -4.160 1.00 0.44 N ATOM 1337 CA LEU A 86 -6.980 -3.298 -4.404 1.00 0.47 C ATOM 1338 C LEU A 86 -8.388 -3.382 -4.993 1.00 0.44 C ATOM 1339 O LEU A 86 -9.292 -2.729 -4.479 1.00 0.49 O ATOM 1340 CB LEU A 86 -6.941 -4.073 -3.071 1.00 0.53 C ATOM 1341 CG LEU A 86 -5.561 -4.395 -2.459 1.00 0.58 C ATOM 1342 CD1 LEU A 86 -4.720 -3.168 -2.078 1.00 0.55 C ATOM 1343 CD2 LEU A 86 -5.801 -5.209 -1.180 1.00 0.68 C ATOM 0 H LEU A 86 -7.276 -1.465 -3.460 1.00 0.44 H new ATOM 0 HA LEU A 86 -6.253 -3.730 -5.092 1.00 0.47 H new ATOM 0 HB2 LEU A 86 -7.507 -3.501 -2.336 1.00 0.53 H new ATOM 0 HB3 LEU A 86 -7.469 -5.015 -3.217 1.00 0.53 H new ATOM 0 HG LEU A 86 -4.999 -4.929 -3.225 1.00 0.58 H new ATOM 0 HD11 LEU A 86 -3.769 -3.495 -1.657 1.00 0.55 H new ATOM 0 HD12 LEU A 86 -4.535 -2.564 -2.966 1.00 0.55 H new ATOM 0 HD13 LEU A 86 -5.258 -2.573 -1.340 1.00 0.55 H new ATOM 0 HD21 LEU A 86 -4.844 -5.455 -0.720 1.00 0.68 H new ATOM 0 HD22 LEU A 86 -6.399 -4.623 -0.482 1.00 0.68 H new ATOM 0 HD23 LEU A 86 -6.331 -6.129 -1.428 1.00 0.68 H new ATOM 1355 N LEU A 87 -8.601 -4.189 -6.037 1.00 0.44 N ATOM 1356 CA LEU A 87 -9.893 -4.293 -6.724 1.00 0.48 C ATOM 1357 C LEU A 87 -10.265 -5.752 -7.010 1.00 0.50 C ATOM 1358 O LEU A 87 -9.403 -6.584 -7.314 1.00 0.55 O ATOM 1359 CB LEU A 87 -9.892 -3.495 -8.047 1.00 0.66 C ATOM 1360 CG LEU A 87 -9.468 -2.007 -7.979 1.00 0.87 C ATOM 1361 CD1 LEU A 87 -7.949 -1.798 -8.124 1.00 1.69 C ATOM 1362 CD2 LEU A 87 -10.160 -1.227 -9.106 1.00 1.57 C ATOM 0 H LEU A 87 -7.879 -4.792 -6.432 1.00 0.44 H new ATOM 0 HA LEU A 87 -10.639 -3.867 -6.053 1.00 0.48 H new ATOM 0 HB2 LEU A 87 -9.228 -4.003 -8.747 1.00 0.66 H new ATOM 0 HB3 LEU A 87 -10.896 -3.541 -8.469 1.00 0.66 H new ATOM 0 HG LEU A 87 -9.764 -1.649 -6.993 1.00 0.87 H new ATOM 0 HD11 LEU A 87 -7.721 -0.734 -8.067 1.00 1.69 H new ATOM 0 HD12 LEU A 87 -7.431 -2.323 -7.321 1.00 1.69 H new ATOM 0 HD13 LEU A 87 -7.618 -2.189 -9.086 1.00 1.69 H new ATOM 0 HD21 LEU A 87 -9.862 -0.179 -9.059 1.00 1.57 H new ATOM 0 HD22 LEU A 87 -9.868 -1.644 -10.070 1.00 1.57 H new ATOM 0 HD23 LEU A 87 -11.241 -1.303 -8.990 1.00 1.57 H new ATOM 1374 N GLY A 88 -11.569 -6.055 -6.956 1.00 0.55 N ATOM 1375 CA GLY A 88 -12.111 -7.362 -7.351 1.00 0.69 C ATOM 1376 C GLY A 88 -11.855 -8.459 -6.316 1.00 0.77 C ATOM 1377 O GLY A 88 -11.487 -9.571 -6.695 1.00 1.02 O ATOM 0 H GLY A 88 -12.280 -5.398 -6.636 1.00 0.55 H new ATOM 0 HA2 GLY A 88 -13.185 -7.269 -7.514 1.00 0.69 H new ATOM 0 HA3 GLY A 88 -11.669 -7.659 -8.302 1.00 0.69 H new ATOM 1381 N LEU A 89 -11.990 -8.116 -5.028 1.00 0.71 N ATOM 1382 CA LEU A 89 -11.744 -8.986 -3.876 1.00 0.77 C ATOM 1383 C LEU A 89 -12.426 -10.356 -3.918 1.00 0.88 C ATOM 1384 O LEU A 89 -13.497 -10.563 -4.484 1.00 1.10 O ATOM 1385 CB LEU A 89 -11.971 -8.257 -2.532 1.00 0.79 C ATOM 1386 CG LEU A 89 -13.208 -7.347 -2.375 1.00 0.93 C ATOM 1387 CD1 LEU A 89 -14.539 -8.085 -2.571 1.00 1.54 C ATOM 1388 CD2 LEU A 89 -13.178 -6.704 -0.980 1.00 1.25 C ATOM 0 H LEU A 89 -12.288 -7.181 -4.751 1.00 0.71 H new ATOM 0 HA LEU A 89 -10.683 -9.224 -3.953 1.00 0.77 H new ATOM 0 HB2 LEU A 89 -12.019 -9.015 -1.750 1.00 0.79 H new ATOM 0 HB3 LEU A 89 -11.088 -7.649 -2.334 1.00 0.79 H new ATOM 0 HG LEU A 89 -13.154 -6.593 -3.160 1.00 0.93 H new ATOM 0 HD11 LEU A 89 -15.365 -7.385 -2.446 1.00 1.54 H new ATOM 0 HD12 LEU A 89 -14.574 -8.513 -3.573 1.00 1.54 H new ATOM 0 HD13 LEU A 89 -14.625 -8.882 -1.833 1.00 1.54 H new ATOM 0 HD21 LEU A 89 -14.048 -6.059 -0.858 1.00 1.25 H new ATOM 0 HD22 LEU A 89 -13.196 -7.484 -0.219 1.00 1.25 H new ATOM 0 HD23 LEU A 89 -12.269 -6.112 -0.872 1.00 1.25 H new ATOM 1400 N LYS A 90 -11.731 -11.314 -3.306 1.00 0.92 N ATOM 1401 CA LYS A 90 -12.071 -12.746 -3.378 1.00 1.06 C ATOM 1402 C LYS A 90 -12.737 -13.285 -2.102 1.00 1.21 C ATOM 1403 O LYS A 90 -13.148 -14.442 -2.053 1.00 1.36 O ATOM 1404 CB LYS A 90 -10.811 -13.540 -3.782 1.00 1.04 C ATOM 1405 CG LYS A 90 -10.139 -13.058 -5.088 1.00 1.02 C ATOM 1406 CD LYS A 90 -11.158 -12.905 -6.225 1.00 1.45 C ATOM 1407 CE LYS A 90 -10.534 -12.537 -7.569 1.00 1.44 C ATOM 1408 NZ LYS A 90 -11.577 -11.984 -8.466 1.00 2.47 N ATOM 0 H LYS A 90 -10.906 -11.122 -2.738 1.00 0.92 H new ATOM 0 HA LYS A 90 -12.834 -12.878 -4.145 1.00 1.06 H new ATOM 0 HB2 LYS A 90 -10.085 -13.481 -2.972 1.00 1.04 H new ATOM 0 HB3 LYS A 90 -11.079 -14.591 -3.893 1.00 1.04 H new ATOM 0 HG2 LYS A 90 -9.644 -12.103 -4.912 1.00 1.02 H new ATOM 0 HG3 LYS A 90 -9.367 -13.768 -5.384 1.00 1.02 H new ATOM 0 HD2 LYS A 90 -11.708 -13.839 -6.335 1.00 1.45 H new ATOM 0 HD3 LYS A 90 -11.883 -12.139 -5.950 1.00 1.45 H new ATOM 0 HE2 LYS A 90 -9.739 -11.805 -7.424 1.00 1.44 H new ATOM 0 HE3 LYS A 90 -10.078 -13.417 -8.023 1.00 1.44 H new ATOM 0 HZ1 LYS A 90 -11.223 -11.971 -9.444 1.00 2.47 H new ATOM 0 HZ2 LYS A 90 -12.430 -12.577 -8.414 1.00 2.47 H new ATOM 0 HZ3 LYS A 90 -11.811 -11.015 -8.170 1.00 2.47 H new ATOM 1422 N ARG A 91 -12.842 -12.444 -1.069 1.00 1.24 N ATOM 1423 CA ARG A 91 -13.570 -12.674 0.185 1.00 1.40 C ATOM 1424 C ARG A 91 -14.146 -11.337 0.686 1.00 1.27 C ATOM 1425 O ARG A 91 -13.565 -10.300 0.358 1.00 1.23 O ATOM 1426 CB ARG A 91 -12.619 -13.207 1.275 1.00 1.61 C ATOM 1427 CG ARG A 91 -11.970 -14.558 0.952 1.00 2.44 C ATOM 1428 CD ARG A 91 -10.964 -14.929 2.046 1.00 2.66 C ATOM 1429 NE ARG A 91 -10.373 -16.258 1.799 1.00 3.85 N ATOM 1430 CZ ARG A 91 -9.445 -16.557 0.889 1.00 5.22 C ATOM 1431 NH1 ARG A 91 -8.908 -15.634 0.117 1.00 5.90 N ATOM 1432 NH2 ARG A 91 -9.052 -17.806 0.748 1.00 6.48 N ATOM 0 H ARG A 91 -12.394 -11.528 -1.086 1.00 1.24 H new ATOM 0 HA ARG A 91 -14.360 -13.400 -0.006 1.00 1.40 H new ATOM 0 HB2 ARG A 91 -11.832 -12.472 1.443 1.00 1.61 H new ATOM 0 HB3 ARG A 91 -13.174 -13.299 2.209 1.00 1.61 H new ATOM 0 HG2 ARG A 91 -12.736 -15.330 0.874 1.00 2.44 H new ATOM 0 HG3 ARG A 91 -11.468 -14.508 -0.014 1.00 2.44 H new ATOM 0 HD2 ARG A 91 -10.174 -14.179 2.087 1.00 2.66 H new ATOM 0 HD3 ARG A 91 -11.460 -14.923 3.017 1.00 2.66 H new ATOM 0 HE ARG A 91 -10.708 -17.025 2.383 1.00 3.85 H new ATOM 0 HH11 ARG A 91 -9.200 -14.661 0.207 1.00 5.90 H new ATOM 0 HH12 ARG A 91 -8.200 -15.893 -0.570 1.00 5.90 H new ATOM 0 HH21 ARG A 91 -9.457 -18.537 1.333 1.00 6.48 H new ATOM 0 HH22 ARG A 91 -8.343 -18.042 0.054 1.00 6.48 H new ATOM 1446 N PRO A 92 -15.217 -11.350 1.504 1.00 1.37 N ATOM 1447 CA PRO A 92 -15.482 -10.267 2.440 1.00 1.48 C ATOM 1448 C PRO A 92 -14.391 -10.262 3.522 1.00 1.75 C ATOM 1449 O PRO A 92 -13.671 -11.246 3.691 1.00 2.28 O ATOM 1450 CB PRO A 92 -16.868 -10.566 3.017 1.00 1.75 C ATOM 1451 CG PRO A 92 -16.909 -12.094 3.019 1.00 1.87 C ATOM 1452 CD PRO A 92 -16.109 -12.472 1.772 1.00 1.60 C ATOM 0 HA PRO A 92 -15.468 -9.280 1.978 1.00 1.48 H new ATOM 0 HB2 PRO A 92 -16.986 -10.157 4.020 1.00 1.75 H new ATOM 0 HB3 PRO A 92 -17.662 -10.140 2.404 1.00 1.75 H new ATOM 0 HG2 PRO A 92 -16.462 -12.507 3.923 1.00 1.87 H new ATOM 0 HG3 PRO A 92 -17.931 -12.469 2.969 1.00 1.87 H new ATOM 0 HD2 PRO A 92 -15.543 -13.389 1.936 1.00 1.60 H new ATOM 0 HD3 PRO A 92 -16.771 -12.654 0.925 1.00 1.60 H new ATOM 1460 N LEU A 93 -14.282 -9.155 4.257 1.00 1.77 N ATOM 1461 CA LEU A 93 -13.231 -8.881 5.221 1.00 1.91 C ATOM 1462 C LEU A 93 -13.717 -7.778 6.160 1.00 1.64 C ATOM 1463 O LEU A 93 -14.567 -6.963 5.788 1.00 1.98 O ATOM 1464 CB LEU A 93 -11.906 -8.556 4.491 1.00 2.35 C ATOM 1465 CG LEU A 93 -11.932 -7.346 3.525 1.00 1.51 C ATOM 1466 CD1 LEU A 93 -11.515 -6.043 4.227 1.00 2.27 C ATOM 1467 CD2 LEU A 93 -10.986 -7.593 2.339 1.00 2.12 C ATOM 0 H LEU A 93 -14.958 -8.394 4.189 1.00 1.77 H new ATOM 0 HA LEU A 93 -13.013 -9.755 5.834 1.00 1.91 H new ATOM 0 HB2 LEU A 93 -11.137 -8.377 5.242 1.00 2.35 H new ATOM 0 HB3 LEU A 93 -11.602 -9.437 3.927 1.00 2.35 H new ATOM 0 HG LEU A 93 -12.958 -7.238 3.174 1.00 1.51 H new ATOM 0 HD11 LEU A 93 -11.547 -5.219 3.514 1.00 2.27 H new ATOM 0 HD12 LEU A 93 -12.200 -5.838 5.050 1.00 2.27 H new ATOM 0 HD13 LEU A 93 -10.502 -6.147 4.616 1.00 2.27 H new ATOM 0 HD21 LEU A 93 -11.013 -6.735 1.667 1.00 2.12 H new ATOM 0 HD22 LEU A 93 -9.970 -7.733 2.707 1.00 2.12 H new ATOM 0 HD23 LEU A 93 -11.303 -8.486 1.800 1.00 2.12 H new ATOM 1479 N LYS A 94 -13.220 -7.760 7.387 1.00 1.42 N ATOM 1480 CA LYS A 94 -13.666 -6.848 8.442 1.00 1.37 C ATOM 1481 C LYS A 94 -12.571 -6.431 9.436 1.00 1.41 C ATOM 1482 O LYS A 94 -11.506 -7.038 9.558 1.00 1.90 O ATOM 1483 CB LYS A 94 -14.853 -7.501 9.174 1.00 1.38 C ATOM 1484 CG LYS A 94 -14.400 -8.753 9.937 1.00 2.44 C ATOM 1485 CD LYS A 94 -15.577 -9.441 10.611 1.00 3.07 C ATOM 1486 CE LYS A 94 -15.100 -10.593 11.510 1.00 4.54 C ATOM 1487 NZ LYS A 94 -14.589 -11.745 10.726 1.00 4.73 N ATOM 0 H LYS A 94 -12.478 -8.391 7.689 1.00 1.42 H new ATOM 0 HA LYS A 94 -13.962 -5.916 7.960 1.00 1.37 H new ATOM 0 HB2 LYS A 94 -15.296 -6.787 9.868 1.00 1.38 H new ATOM 0 HB3 LYS A 94 -15.627 -7.768 8.455 1.00 1.38 H new ATOM 0 HG2 LYS A 94 -13.915 -9.446 9.249 1.00 2.44 H new ATOM 0 HG3 LYS A 94 -13.658 -8.477 10.687 1.00 2.44 H new ATOM 0 HD2 LYS A 94 -16.134 -8.717 11.206 1.00 3.07 H new ATOM 0 HD3 LYS A 94 -16.261 -9.825 9.854 1.00 3.07 H new ATOM 0 HE2 LYS A 94 -14.315 -10.231 12.174 1.00 4.54 H new ATOM 0 HE3 LYS A 94 -15.925 -10.923 12.142 1.00 4.54 H new ATOM 0 HZ1 LYS A 94 -14.141 -12.430 11.367 1.00 4.73 H new ATOM 0 HZ2 LYS A 94 -15.378 -12.203 10.227 1.00 4.73 H new ATOM 0 HZ3 LYS A 94 -13.889 -11.410 10.033 1.00 4.73 H new ATOM 1501 N ALA A 95 -12.898 -5.421 10.247 1.00 1.24 N ATOM 1502 CA ALA A 95 -12.084 -4.981 11.361 1.00 1.23 C ATOM 1503 C ALA A 95 -11.830 -6.127 12.350 1.00 1.21 C ATOM 1504 O ALA A 95 -12.731 -6.887 12.714 1.00 1.30 O ATOM 1505 CB ALA A 95 -12.749 -3.788 12.049 1.00 1.33 C ATOM 0 H ALA A 95 -13.756 -4.881 10.137 1.00 1.24 H new ATOM 0 HA ALA A 95 -11.112 -4.665 10.981 1.00 1.23 H new ATOM 0 HB1 ALA A 95 -12.133 -3.461 12.886 1.00 1.33 H new ATOM 0 HB2 ALA A 95 -12.856 -2.970 11.336 1.00 1.33 H new ATOM 0 HB3 ALA A 95 -13.733 -4.081 12.415 1.00 1.33 H new ATOM 1511 N GLY A 96 -10.573 -6.209 12.760 1.00 1.22 N ATOM 1512 CA GLY A 96 -10.043 -7.199 13.702 1.00 1.33 C ATOM 1513 C GLY A 96 -9.484 -8.461 13.043 1.00 1.53 C ATOM 1514 O GLY A 96 -9.002 -9.327 13.761 1.00 2.07 O ATOM 0 H GLY A 96 -9.857 -5.560 12.433 1.00 1.22 H new ATOM 0 HA2 GLY A 96 -9.255 -6.734 14.295 1.00 1.33 H new ATOM 0 HA3 GLY A 96 -10.835 -7.485 14.394 1.00 1.33 H new ATOM 1518 N GLU A 97 -9.540 -8.573 11.713 1.00 1.29 N ATOM 1519 CA GLU A 97 -8.881 -9.646 10.959 1.00 1.31 C ATOM 1520 C GLU A 97 -7.423 -9.315 10.635 1.00 1.13 C ATOM 1521 O GLU A 97 -6.911 -8.254 10.992 1.00 1.02 O ATOM 1522 CB GLU A 97 -9.658 -9.920 9.666 1.00 1.34 C ATOM 1523 CG GLU A 97 -11.022 -10.516 10.023 1.00 1.76 C ATOM 1524 CD GLU A 97 -11.851 -10.925 8.817 1.00 1.44 C ATOM 1525 OE1 GLU A 97 -11.849 -10.193 7.811 1.00 1.85 O ATOM 1526 OE2 GLU A 97 -12.637 -11.890 8.970 1.00 2.50 O ATOM 0 H GLU A 97 -10.049 -7.915 11.122 1.00 1.29 H new ATOM 0 HA GLU A 97 -8.878 -10.537 11.587 1.00 1.31 H new ATOM 0 HB2 GLU A 97 -9.786 -8.997 9.101 1.00 1.34 H new ATOM 0 HB3 GLU A 97 -9.101 -10.608 9.030 1.00 1.34 H new ATOM 0 HG2 GLU A 97 -10.871 -11.388 10.660 1.00 1.76 H new ATOM 0 HG3 GLU A 97 -11.584 -9.787 10.607 1.00 1.76 H new ATOM 1533 N GLU A 98 -6.788 -10.220 9.897 1.00 1.14 N ATOM 1534 CA GLU A 98 -5.417 -10.244 9.458 1.00 1.05 C ATOM 1535 C GLU A 98 -5.454 -10.724 8.002 1.00 0.94 C ATOM 1536 O GLU A 98 -6.262 -11.568 7.622 1.00 1.10 O ATOM 1537 CB GLU A 98 -4.559 -11.156 10.357 1.00 1.26 C ATOM 1538 CG GLU A 98 -5.059 -12.607 10.445 1.00 1.91 C ATOM 1539 CD GLU A 98 -4.206 -13.423 11.407 1.00 2.60 C ATOM 1540 OE1 GLU A 98 -3.040 -13.698 11.044 1.00 3.55 O ATOM 1541 OE2 GLU A 98 -4.727 -13.772 12.491 1.00 3.21 O ATOM 0 H GLU A 98 -7.288 -11.043 9.560 1.00 1.14 H new ATOM 0 HA GLU A 98 -4.952 -9.260 9.526 1.00 1.05 H new ATOM 0 HB2 GLU A 98 -3.536 -11.159 9.981 1.00 1.26 H new ATOM 0 HB3 GLU A 98 -4.529 -10.733 11.361 1.00 1.26 H new ATOM 0 HG2 GLU A 98 -6.097 -12.618 10.776 1.00 1.91 H new ATOM 0 HG3 GLU A 98 -5.035 -13.064 9.456 1.00 1.91 H new ATOM 1548 N VAL A 99 -4.616 -10.103 7.189 1.00 0.80 N ATOM 1549 CA VAL A 99 -4.556 -10.248 5.726 1.00 0.73 C ATOM 1550 C VAL A 99 -3.094 -10.245 5.264 1.00 0.65 C ATOM 1551 O VAL A 99 -2.302 -9.394 5.668 1.00 0.75 O ATOM 1552 CB VAL A 99 -5.377 -9.128 5.034 1.00 0.82 C ATOM 1553 CG1 VAL A 99 -5.112 -9.041 3.517 1.00 0.97 C ATOM 1554 CG2 VAL A 99 -6.891 -9.339 5.227 1.00 0.92 C ATOM 0 H VAL A 99 -3.918 -9.447 7.540 1.00 0.80 H new ATOM 0 HA VAL A 99 -5.001 -11.201 5.440 1.00 0.73 H new ATOM 0 HB VAL A 99 -5.052 -8.203 5.509 1.00 0.82 H new ATOM 0 HG11 VAL A 99 -5.714 -8.240 3.088 1.00 0.97 H new ATOM 0 HG12 VAL A 99 -4.056 -8.834 3.343 1.00 0.97 H new ATOM 0 HG13 VAL A 99 -5.379 -9.987 3.046 1.00 0.97 H new ATOM 0 HG21 VAL A 99 -7.436 -8.537 4.730 1.00 0.92 H new ATOM 0 HG22 VAL A 99 -7.183 -10.297 4.797 1.00 0.92 H new ATOM 0 HG23 VAL A 99 -7.127 -9.333 6.291 1.00 0.92 H new ATOM 1564 N GLU A 100 -2.741 -11.194 4.393 1.00 0.60 N ATOM 1565 CA GLU A 100 -1.412 -11.277 3.789 1.00 0.61 C ATOM 1566 C GLU A 100 -1.325 -10.611 2.407 1.00 0.63 C ATOM 1567 O GLU A 100 -2.313 -10.457 1.681 1.00 0.59 O ATOM 1568 CB GLU A 100 -0.900 -12.727 3.756 1.00 0.90 C ATOM 1569 CG GLU A 100 -1.689 -13.671 2.834 1.00 1.48 C ATOM 1570 CD GLU A 100 -0.871 -14.922 2.543 1.00 1.48 C ATOM 1571 OE1 GLU A 100 -0.537 -15.659 3.494 1.00 1.91 O ATOM 1572 OE2 GLU A 100 -0.448 -15.128 1.381 1.00 2.30 O ATOM 0 H GLU A 100 -3.376 -11.931 4.086 1.00 0.60 H new ATOM 0 HA GLU A 100 -0.750 -10.701 4.436 1.00 0.61 H new ATOM 0 HB2 GLU A 100 0.143 -12.722 3.440 1.00 0.90 H new ATOM 0 HB3 GLU A 100 -0.924 -13.128 4.769 1.00 0.90 H new ATOM 0 HG2 GLU A 100 -2.633 -13.946 3.304 1.00 1.48 H new ATOM 0 HG3 GLU A 100 -1.933 -13.162 1.902 1.00 1.48 H new ATOM 1579 N LEU A 101 -0.099 -10.256 2.030 1.00 0.88 N ATOM 1580 CA LEU A 101 0.264 -9.810 0.701 1.00 1.00 C ATOM 1581 C LEU A 101 1.718 -10.111 0.352 1.00 0.82 C ATOM 1582 O LEU A 101 2.602 -10.136 1.206 1.00 0.79 O ATOM 1583 CB LEU A 101 -0.066 -8.326 0.488 1.00 1.26 C ATOM 1584 CG LEU A 101 -0.087 -7.374 1.685 1.00 1.58 C ATOM 1585 CD1 LEU A 101 1.329 -7.218 2.232 1.00 3.54 C ATOM 1586 CD2 LEU A 101 -0.674 -6.031 1.231 1.00 1.65 C ATOM 0 H LEU A 101 0.694 -10.274 2.671 1.00 0.88 H new ATOM 0 HA LEU A 101 -0.348 -10.389 0.010 1.00 1.00 H new ATOM 0 HB2 LEU A 101 0.655 -7.932 -0.229 1.00 1.26 H new ATOM 0 HB3 LEU A 101 -1.047 -8.275 0.015 1.00 1.26 H new ATOM 0 HG LEU A 101 -0.710 -7.770 2.487 1.00 1.58 H new ATOM 0 HD11 LEU A 101 1.317 -6.540 3.085 1.00 3.54 H new ATOM 0 HD12 LEU A 101 1.707 -8.191 2.547 1.00 3.54 H new ATOM 0 HD13 LEU A 101 1.977 -6.812 1.455 1.00 3.54 H new ATOM 0 HD21 LEU A 101 -0.696 -5.340 2.074 1.00 1.65 H new ATOM 0 HD22 LEU A 101 -0.056 -5.614 0.436 1.00 1.65 H new ATOM 0 HD23 LEU A 101 -1.688 -6.184 0.860 1.00 1.65 H new ATOM 1598 N ASP A 102 1.923 -10.277 -0.944 1.00 0.80 N ATOM 1599 CA ASP A 102 3.213 -10.367 -1.634 1.00 0.74 C ATOM 1600 C ASP A 102 3.587 -8.991 -2.204 1.00 0.68 C ATOM 1601 O ASP A 102 2.761 -8.302 -2.809 1.00 0.82 O ATOM 1602 CB ASP A 102 3.114 -11.374 -2.799 1.00 0.89 C ATOM 1603 CG ASP A 102 3.776 -12.732 -2.576 1.00 1.64 C ATOM 1604 OD1 ASP A 102 4.845 -12.798 -1.933 1.00 2.56 O ATOM 1605 OD2 ASP A 102 3.221 -13.703 -3.140 1.00 2.31 O ATOM 0 H ASP A 102 1.141 -10.359 -1.594 1.00 0.80 H new ATOM 0 HA ASP A 102 3.972 -10.697 -0.924 1.00 0.74 H new ATOM 0 HB2 ASP A 102 2.060 -11.539 -3.020 1.00 0.89 H new ATOM 0 HB3 ASP A 102 3.557 -10.918 -3.684 1.00 0.89 H new ATOM 1610 N LEU A 103 4.855 -8.611 -2.054 1.00 0.62 N ATOM 1611 CA LEU A 103 5.475 -7.450 -2.675 1.00 0.67 C ATOM 1612 C LEU A 103 6.159 -7.883 -3.980 1.00 0.81 C ATOM 1613 O LEU A 103 6.881 -8.882 -3.992 1.00 1.03 O ATOM 1614 CB LEU A 103 6.504 -6.879 -1.682 1.00 0.83 C ATOM 1615 CG LEU A 103 5.906 -6.036 -0.535 1.00 0.88 C ATOM 1616 CD1 LEU A 103 5.009 -6.828 0.427 1.00 0.86 C ATOM 1617 CD2 LEU A 103 7.057 -5.381 0.245 1.00 1.19 C ATOM 0 H LEU A 103 5.506 -9.132 -1.467 1.00 0.62 H new ATOM 0 HA LEU A 103 4.735 -6.687 -2.914 1.00 0.67 H new ATOM 0 HB2 LEU A 103 7.067 -7.706 -1.249 1.00 0.83 H new ATOM 0 HB3 LEU A 103 7.215 -6.263 -2.233 1.00 0.83 H new ATOM 0 HG LEU A 103 5.258 -5.290 -0.994 1.00 0.88 H new ATOM 0 HD11 LEU A 103 4.630 -6.162 1.202 1.00 0.86 H new ATOM 0 HD12 LEU A 103 4.172 -7.256 -0.125 1.00 0.86 H new ATOM 0 HD13 LEU A 103 5.587 -7.629 0.887 1.00 0.86 H new ATOM 0 HD21 LEU A 103 6.650 -4.782 1.059 1.00 1.19 H new ATOM 0 HD22 LEU A 103 7.706 -6.155 0.654 1.00 1.19 H new ATOM 0 HD23 LEU A 103 7.632 -4.741 -0.424 1.00 1.19 H new ATOM 1629 N LEU A 104 5.958 -7.127 -5.067 1.00 0.74 N ATOM 1630 CA LEU A 104 6.597 -7.347 -6.366 1.00 0.82 C ATOM 1631 C LEU A 104 7.674 -6.275 -6.579 1.00 0.85 C ATOM 1632 O LEU A 104 7.375 -5.103 -6.838 1.00 0.90 O ATOM 1633 CB LEU A 104 5.527 -7.299 -7.473 1.00 0.81 C ATOM 1634 CG LEU A 104 4.339 -8.271 -7.323 1.00 0.80 C ATOM 1635 CD1 LEU A 104 3.440 -8.167 -8.564 1.00 0.83 C ATOM 1636 CD2 LEU A 104 4.771 -9.731 -7.127 1.00 0.88 C ATOM 0 H LEU A 104 5.329 -6.324 -5.065 1.00 0.74 H new ATOM 0 HA LEU A 104 7.075 -8.326 -6.399 1.00 0.82 H new ATOM 0 HB2 LEU A 104 5.133 -6.284 -7.523 1.00 0.81 H new ATOM 0 HB3 LEU A 104 6.014 -7.500 -8.427 1.00 0.81 H new ATOM 0 HG LEU A 104 3.799 -7.978 -6.423 1.00 0.80 H new ATOM 0 HD11 LEU A 104 2.599 -8.853 -8.462 1.00 0.83 H new ATOM 0 HD12 LEU A 104 3.068 -7.147 -8.659 1.00 0.83 H new ATOM 0 HD13 LEU A 104 4.015 -8.428 -9.453 1.00 0.83 H new ATOM 0 HD21 LEU A 104 3.888 -10.362 -7.028 1.00 0.88 H new ATOM 0 HD22 LEU A 104 5.355 -10.056 -7.988 1.00 0.88 H new ATOM 0 HD23 LEU A 104 5.378 -9.813 -6.225 1.00 0.88 H new ATOM 1648 N PHE A 105 8.939 -6.659 -6.431 1.00 0.81 N ATOM 1649 CA PHE A 105 10.077 -5.758 -6.597 1.00 0.90 C ATOM 1650 C PHE A 105 10.607 -5.781 -8.038 1.00 1.13 C ATOM 1651 O PHE A 105 10.315 -6.687 -8.817 1.00 1.74 O ATOM 1652 CB PHE A 105 11.157 -6.129 -5.577 1.00 0.99 C ATOM 1653 CG PHE A 105 10.775 -5.906 -4.121 1.00 0.89 C ATOM 1654 CD1 PHE A 105 10.919 -4.630 -3.543 1.00 1.84 C ATOM 1655 CD2 PHE A 105 10.294 -6.970 -3.330 1.00 2.05 C ATOM 1656 CE1 PHE A 105 10.619 -4.426 -2.190 1.00 1.80 C ATOM 1657 CE2 PHE A 105 9.984 -6.756 -1.975 1.00 2.11 C ATOM 1658 CZ PHE A 105 10.161 -5.491 -1.399 1.00 0.96 C ATOM 0 H PHE A 105 9.206 -7.614 -6.190 1.00 0.81 H new ATOM 0 HA PHE A 105 9.758 -4.732 -6.411 1.00 0.90 H new ATOM 0 HB2 PHE A 105 11.416 -7.179 -5.712 1.00 0.99 H new ATOM 0 HB3 PHE A 105 12.054 -5.549 -5.794 1.00 0.99 H new ATOM 0 HD1 PHE A 105 11.263 -3.803 -4.147 1.00 1.84 H new ATOM 0 HD2 PHE A 105 10.164 -7.950 -3.765 1.00 2.05 H new ATOM 0 HE1 PHE A 105 10.741 -3.445 -1.754 1.00 1.80 H new ATOM 0 HE2 PHE A 105 9.607 -7.571 -1.375 1.00 2.11 H new ATOM 0 HZ PHE A 105 9.946 -5.336 -0.352 1.00 0.96 H new ATOM 1668 N ALA A 106 11.403 -4.769 -8.397 1.00 0.81 N ATOM 1669 CA ALA A 106 12.048 -4.699 -9.705 1.00 0.93 C ATOM 1670 C ALA A 106 12.962 -5.917 -9.934 1.00 1.16 C ATOM 1671 O ALA A 106 13.945 -6.118 -9.218 1.00 1.55 O ATOM 1672 CB ALA A 106 12.821 -3.378 -9.818 1.00 1.27 C ATOM 0 H ALA A 106 11.616 -3.979 -7.788 1.00 0.81 H new ATOM 0 HA ALA A 106 11.288 -4.724 -10.486 1.00 0.93 H new ATOM 0 HB1 ALA A 106 13.304 -3.322 -10.793 1.00 1.27 H new ATOM 0 HB2 ALA A 106 12.131 -2.542 -9.706 1.00 1.27 H new ATOM 0 HB3 ALA A 106 13.578 -3.331 -9.035 1.00 1.27 H new ATOM 1678 N GLY A 107 12.640 -6.721 -10.954 1.00 1.75 N ATOM 1679 CA GLY A 107 13.421 -7.894 -11.344 1.00 2.36 C ATOM 1680 C GLY A 107 13.156 -9.092 -10.435 1.00 1.98 C ATOM 1681 O GLY A 107 12.012 -9.422 -10.131 1.00 3.23 O ATOM 0 H GLY A 107 11.817 -6.570 -11.538 1.00 1.75 H new ATOM 0 HA2 GLY A 107 13.182 -8.161 -12.373 1.00 2.36 H new ATOM 0 HA3 GLY A 107 14.482 -7.647 -11.317 1.00 2.36 H new ATOM 1685 N GLY A 108 14.229 -9.780 -10.039 1.00 1.86 N ATOM 1686 CA GLY A 108 14.181 -11.119 -9.434 1.00 1.98 C ATOM 1687 C GLY A 108 13.885 -11.153 -7.933 1.00 1.72 C ATOM 1688 O GLY A 108 14.526 -11.920 -7.216 1.00 2.34 O ATOM 0 H GLY A 108 15.178 -9.417 -10.131 1.00 1.86 H new ATOM 0 HA2 GLY A 108 13.420 -11.705 -9.950 1.00 1.98 H new ATOM 0 HA3 GLY A 108 15.137 -11.613 -9.609 1.00 1.98 H new ATOM 1692 N LYS A 109 12.950 -10.341 -7.429 1.00 1.05 N ATOM 1693 CA LYS A 109 12.571 -10.324 -6.010 1.00 0.89 C ATOM 1694 C LYS A 109 11.043 -10.303 -5.819 1.00 0.94 C ATOM 1695 O LYS A 109 10.372 -9.369 -6.246 1.00 1.03 O ATOM 1696 CB LYS A 109 13.231 -9.106 -5.334 1.00 0.95 C ATOM 1697 CG LYS A 109 14.665 -9.393 -4.889 1.00 1.28 C ATOM 1698 CD LYS A 109 15.369 -8.092 -4.474 1.00 1.75 C ATOM 1699 CE LYS A 109 16.813 -8.381 -4.044 1.00 2.66 C ATOM 1700 NZ LYS A 109 17.526 -7.144 -3.634 1.00 3.88 N ATOM 0 H LYS A 109 12.431 -9.672 -7.997 1.00 1.05 H new ATOM 0 HA LYS A 109 12.926 -11.242 -5.542 1.00 0.89 H new ATOM 0 HB2 LYS A 109 13.230 -8.264 -6.027 1.00 0.95 H new ATOM 0 HB3 LYS A 109 12.638 -8.808 -4.469 1.00 0.95 H new ATOM 0 HG2 LYS A 109 14.660 -10.093 -4.054 1.00 1.28 H new ATOM 0 HG3 LYS A 109 15.216 -9.869 -5.700 1.00 1.28 H new ATOM 0 HD2 LYS A 109 15.364 -7.387 -5.305 1.00 1.75 H new ATOM 0 HD3 LYS A 109 14.826 -7.622 -3.654 1.00 1.75 H new ATOM 0 HE2 LYS A 109 16.810 -9.090 -3.216 1.00 2.66 H new ATOM 0 HE3 LYS A 109 17.349 -8.854 -4.867 1.00 2.66 H new ATOM 0 HZ1 LYS A 109 18.543 -7.251 -3.822 1.00 3.88 H new ATOM 0 HZ2 LYS A 109 17.157 -6.336 -4.174 1.00 3.88 H new ATOM 0 HZ3 LYS A 109 17.377 -6.978 -2.618 1.00 3.88 H new ATOM 1714 N VAL A 110 10.537 -11.293 -5.087 1.00 1.00 N ATOM 1715 CA VAL A 110 9.157 -11.368 -4.574 1.00 1.07 C ATOM 1716 C VAL A 110 9.226 -11.853 -3.123 1.00 1.16 C ATOM 1717 O VAL A 110 10.070 -12.699 -2.812 1.00 1.31 O ATOM 1718 CB VAL A 110 8.263 -12.301 -5.433 1.00 1.27 C ATOM 1719 CG1 VAL A 110 6.846 -12.470 -4.855 1.00 1.91 C ATOM 1720 CG2 VAL A 110 8.140 -11.780 -6.876 1.00 2.51 C ATOM 0 H VAL A 110 11.096 -12.103 -4.820 1.00 1.00 H new ATOM 0 HA VAL A 110 8.696 -10.382 -4.626 1.00 1.07 H new ATOM 0 HB VAL A 110 8.759 -13.272 -5.423 1.00 1.27 H new ATOM 0 HG11 VAL A 110 6.267 -13.133 -5.498 1.00 1.91 H new ATOM 0 HG12 VAL A 110 6.910 -12.899 -3.855 1.00 1.91 H new ATOM 0 HG13 VAL A 110 6.356 -11.498 -4.802 1.00 1.91 H new ATOM 0 HG21 VAL A 110 7.508 -12.454 -7.454 1.00 2.51 H new ATOM 0 HG22 VAL A 110 7.696 -10.785 -6.867 1.00 2.51 H new ATOM 0 HG23 VAL A 110 9.129 -11.731 -7.331 1.00 2.51 H new ATOM 1730 N LEU A 111 8.417 -11.261 -2.236 1.00 1.09 N ATOM 1731 CA LEU A 111 8.489 -11.460 -0.782 1.00 1.15 C ATOM 1732 C LEU A 111 7.167 -11.085 -0.094 1.00 0.90 C ATOM 1733 O LEU A 111 6.657 -9.990 -0.317 1.00 0.97 O ATOM 1734 CB LEU A 111 9.661 -10.600 -0.272 1.00 1.42 C ATOM 1735 CG LEU A 111 9.881 -10.553 1.251 1.00 1.38 C ATOM 1736 CD1 LEU A 111 10.242 -11.933 1.821 1.00 2.43 C ATOM 1737 CD2 LEU A 111 11.007 -9.544 1.529 1.00 2.16 C ATOM 0 H LEU A 111 7.678 -10.616 -2.515 1.00 1.09 H new ATOM 0 HA LEU A 111 8.655 -12.511 -0.546 1.00 1.15 H new ATOM 0 HB2 LEU A 111 10.577 -10.966 -0.736 1.00 1.42 H new ATOM 0 HB3 LEU A 111 9.511 -9.580 -0.625 1.00 1.42 H new ATOM 0 HG LEU A 111 8.957 -10.247 1.741 1.00 1.38 H new ATOM 0 HD11 LEU A 111 10.389 -11.855 2.898 1.00 2.43 H new ATOM 0 HD12 LEU A 111 9.434 -12.635 1.615 1.00 2.43 H new ATOM 0 HD13 LEU A 111 11.160 -12.290 1.355 1.00 2.43 H new ATOM 0 HD21 LEU A 111 11.188 -9.487 2.602 1.00 2.16 H new ATOM 0 HD22 LEU A 111 11.918 -9.867 1.024 1.00 2.16 H new ATOM 0 HD23 LEU A 111 10.715 -8.562 1.158 1.00 2.16 H new ATOM 1749 N LYS A 112 6.654 -11.925 0.815 1.00 0.98 N ATOM 1750 CA LYS A 112 5.377 -11.661 1.497 1.00 0.91 C ATOM 1751 C LYS A 112 5.488 -11.040 2.902 1.00 0.97 C ATOM 1752 O LYS A 112 6.398 -11.335 3.676 1.00 1.15 O ATOM 1753 CB LYS A 112 4.463 -12.901 1.478 1.00 1.08 C ATOM 1754 CG LYS A 112 5.037 -14.148 2.168 1.00 1.80 C ATOM 1755 CD LYS A 112 4.103 -15.352 1.980 1.00 1.99 C ATOM 1756 CE LYS A 112 2.820 -15.211 2.807 1.00 1.70 C ATOM 1757 NZ LYS A 112 1.828 -16.255 2.466 1.00 1.99 N ATOM 0 H LYS A 112 7.104 -12.796 1.097 1.00 0.98 H new ATOM 0 HA LYS A 112 4.908 -10.874 0.906 1.00 0.91 H new ATOM 0 HB2 LYS A 112 3.518 -12.643 1.956 1.00 1.08 H new ATOM 0 HB3 LYS A 112 4.238 -13.151 0.441 1.00 1.08 H new ATOM 0 HG2 LYS A 112 6.020 -14.377 1.757 1.00 1.80 H new ATOM 0 HG3 LYS A 112 5.174 -13.951 3.231 1.00 1.80 H new ATOM 0 HD2 LYS A 112 3.847 -15.452 0.925 1.00 1.99 H new ATOM 0 HD3 LYS A 112 4.624 -16.265 2.269 1.00 1.99 H new ATOM 0 HE2 LYS A 112 3.063 -15.273 3.868 1.00 1.70 H new ATOM 0 HE3 LYS A 112 2.384 -14.226 2.637 1.00 1.70 H new ATOM 0 HZ1 LYS A 112 1.113 -16.313 3.219 1.00 1.99 H new ATOM 0 HZ2 LYS A 112 1.365 -16.014 1.566 1.00 1.99 H new ATOM 0 HZ3 LYS A 112 2.308 -17.173 2.373 1.00 1.99 H new ATOM 1771 N VAL A 113 4.473 -10.241 3.229 1.00 0.91 N ATOM 1772 CA VAL A 113 4.184 -9.580 4.513 1.00 1.00 C ATOM 1773 C VAL A 113 2.760 -9.978 4.943 1.00 0.90 C ATOM 1774 O VAL A 113 1.980 -10.502 4.150 1.00 0.94 O ATOM 1775 CB VAL A 113 4.308 -8.040 4.364 1.00 1.21 C ATOM 1776 CG1 VAL A 113 4.088 -7.239 5.663 1.00 1.83 C ATOM 1777 CG2 VAL A 113 5.701 -7.633 3.844 1.00 2.13 C ATOM 0 H VAL A 113 3.759 -10.015 2.537 1.00 0.91 H new ATOM 0 HA VAL A 113 4.900 -9.894 5.273 1.00 1.00 H new ATOM 0 HB VAL A 113 3.512 -7.796 3.661 1.00 1.21 H new ATOM 0 HG11 VAL A 113 4.195 -6.174 5.456 1.00 1.83 H new ATOM 0 HG12 VAL A 113 3.087 -7.435 6.046 1.00 1.83 H new ATOM 0 HG13 VAL A 113 4.826 -7.541 6.406 1.00 1.83 H new ATOM 0 HG21 VAL A 113 5.752 -6.548 3.752 1.00 2.13 H new ATOM 0 HG22 VAL A 113 6.464 -7.974 4.543 1.00 2.13 H new ATOM 0 HG23 VAL A 113 5.873 -8.089 2.869 1.00 2.13 H new ATOM 1787 N VAL A 114 2.426 -9.720 6.203 1.00 0.98 N ATOM 1788 CA VAL A 114 1.127 -10.009 6.837 1.00 0.92 C ATOM 1789 C VAL A 114 0.800 -8.851 7.786 1.00 0.92 C ATOM 1790 O VAL A 114 1.724 -8.286 8.373 1.00 1.20 O ATOM 1791 CB VAL A 114 1.117 -11.362 7.604 1.00 1.19 C ATOM 1792 CG1 VAL A 114 -0.316 -11.742 8.020 1.00 1.61 C ATOM 1793 CG2 VAL A 114 1.700 -12.525 6.772 1.00 1.95 C ATOM 0 H VAL A 114 3.081 -9.281 6.850 1.00 0.98 H new ATOM 0 HA VAL A 114 0.371 -10.102 6.057 1.00 0.92 H new ATOM 0 HB VAL A 114 1.747 -11.212 8.481 1.00 1.19 H new ATOM 0 HG11 VAL A 114 -0.300 -12.692 8.555 1.00 1.61 H new ATOM 0 HG12 VAL A 114 -0.724 -10.967 8.669 1.00 1.61 H new ATOM 0 HG13 VAL A 114 -0.940 -11.837 7.131 1.00 1.61 H new ATOM 0 HG21 VAL A 114 1.667 -13.444 7.358 1.00 1.95 H new ATOM 0 HG22 VAL A 114 1.112 -12.653 5.863 1.00 1.95 H new ATOM 0 HG23 VAL A 114 2.733 -12.300 6.507 1.00 1.95 H new ATOM 1803 N LEU A 115 -0.479 -8.458 7.869 1.00 0.82 N ATOM 1804 CA LEU A 115 -0.926 -7.278 8.619 1.00 1.01 C ATOM 1805 C LEU A 115 -2.423 -7.313 9.023 1.00 0.88 C ATOM 1806 O LEU A 115 -3.201 -8.036 8.393 1.00 0.92 O ATOM 1807 CB LEU A 115 -0.482 -5.988 7.895 1.00 1.50 C ATOM 1808 CG LEU A 115 -0.856 -5.695 6.430 1.00 0.99 C ATOM 1809 CD1 LEU A 115 -0.013 -6.434 5.391 1.00 2.11 C ATOM 1810 CD2 LEU A 115 -2.332 -5.926 6.150 1.00 2.85 C ATOM 0 H LEU A 115 -1.241 -8.958 7.411 1.00 0.82 H new ATOM 0 HA LEU A 115 -0.424 -7.290 9.586 1.00 1.01 H new ATOM 0 HB2 LEU A 115 -0.857 -5.153 8.486 1.00 1.50 H new ATOM 0 HB3 LEU A 115 0.606 -5.956 7.952 1.00 1.50 H new ATOM 0 HG LEU A 115 -0.629 -4.635 6.318 1.00 0.99 H new ATOM 0 HD11 LEU A 115 -0.350 -6.164 4.390 1.00 2.11 H new ATOM 0 HD12 LEU A 115 1.035 -6.156 5.508 1.00 2.11 H new ATOM 0 HD13 LEU A 115 -0.121 -7.509 5.533 1.00 2.11 H new ATOM 0 HD21 LEU A 115 -2.543 -5.705 5.104 1.00 2.85 H new ATOM 0 HD22 LEU A 115 -2.584 -6.966 6.359 1.00 2.85 H new ATOM 0 HD23 LEU A 115 -2.930 -5.273 6.786 1.00 2.85 H new ATOM 1822 N PRO A 116 -2.850 -6.532 10.038 1.00 0.80 N ATOM 1823 CA PRO A 116 -4.241 -6.464 10.493 1.00 0.80 C ATOM 1824 C PRO A 116 -5.169 -5.613 9.602 1.00 0.78 C ATOM 1825 O PRO A 116 -4.729 -4.736 8.852 1.00 0.80 O ATOM 1826 CB PRO A 116 -4.175 -5.904 11.918 1.00 0.86 C ATOM 1827 CG PRO A 116 -2.904 -5.059 11.904 1.00 0.82 C ATOM 1828 CD PRO A 116 -1.981 -5.864 11.002 1.00 0.81 C ATOM 0 HA PRO A 116 -4.687 -7.457 10.445 1.00 0.80 H new ATOM 0 HB2 PRO A 116 -5.054 -5.305 12.156 1.00 0.86 H new ATOM 0 HB3 PRO A 116 -4.121 -6.700 12.661 1.00 0.86 H new ATOM 0 HG2 PRO A 116 -3.086 -4.059 11.509 1.00 0.82 H new ATOM 0 HG3 PRO A 116 -2.488 -4.936 12.904 1.00 0.82 H new ATOM 0 HD2 PRO A 116 -1.264 -5.216 10.498 1.00 0.81 H new ATOM 0 HD3 PRO A 116 -1.406 -6.589 11.578 1.00 0.81 H new ATOM 1836 N VAL A 117 -6.484 -5.842 9.733 1.00 0.83 N ATOM 1837 CA VAL A 117 -7.559 -5.040 9.119 1.00 0.82 C ATOM 1838 C VAL A 117 -8.223 -4.118 10.166 1.00 0.84 C ATOM 1839 O VAL A 117 -8.617 -4.584 11.237 1.00 0.99 O ATOM 1840 CB VAL A 117 -8.612 -5.976 8.476 1.00 0.89 C ATOM 1841 CG1 VAL A 117 -9.711 -5.188 7.746 1.00 0.94 C ATOM 1842 CG2 VAL A 117 -7.972 -6.942 7.466 1.00 0.90 C ATOM 0 H VAL A 117 -6.844 -6.618 10.289 1.00 0.83 H new ATOM 0 HA VAL A 117 -7.124 -4.410 8.343 1.00 0.82 H new ATOM 0 HB VAL A 117 -9.050 -6.538 9.301 1.00 0.89 H new ATOM 0 HG11 VAL A 117 -10.428 -5.883 7.310 1.00 0.94 H new ATOM 0 HG12 VAL A 117 -10.222 -4.536 8.454 1.00 0.94 H new ATOM 0 HG13 VAL A 117 -9.263 -4.586 6.956 1.00 0.94 H new ATOM 0 HG21 VAL A 117 -8.742 -7.582 7.036 1.00 0.90 H new ATOM 0 HG22 VAL A 117 -7.490 -6.372 6.672 1.00 0.90 H new ATOM 0 HG23 VAL A 117 -7.229 -7.558 7.972 1.00 0.90 H new ATOM 1852 N GLU A 118 -8.358 -2.820 9.844 1.00 0.82 N ATOM 1853 CA GLU A 118 -9.098 -1.789 10.614 1.00 0.80 C ATOM 1854 C GLU A 118 -10.541 -1.613 10.082 1.00 1.38 C ATOM 1855 O GLU A 118 -10.980 -2.391 9.242 1.00 2.40 O ATOM 1856 CB GLU A 118 -8.320 -0.450 10.652 1.00 1.35 C ATOM 1857 CG GLU A 118 -8.476 0.416 9.391 1.00 3.82 C ATOM 1858 CD GLU A 118 -7.632 1.683 9.403 1.00 4.90 C ATOM 1859 OE1 GLU A 118 -7.661 2.456 10.378 1.00 5.36 O ATOM 1860 OE2 GLU A 118 -6.973 1.990 8.386 1.00 5.97 O ATOM 0 H GLU A 118 -7.935 -2.436 8.999 1.00 0.82 H new ATOM 0 HA GLU A 118 -9.182 -2.137 11.643 1.00 0.80 H new ATOM 0 HB2 GLU A 118 -8.654 0.125 11.516 1.00 1.35 H new ATOM 0 HB3 GLU A 118 -7.262 -0.664 10.802 1.00 1.35 H new ATOM 0 HG2 GLU A 118 -8.207 -0.179 8.518 1.00 3.82 H new ATOM 0 HG3 GLU A 118 -9.525 0.691 9.279 1.00 3.82 H new ATOM 1867 N ALA A 119 -11.304 -0.619 10.560 1.00 1.29 N ATOM 1868 CA ALA A 119 -12.403 -0.045 9.768 1.00 1.62 C ATOM 1869 C ALA A 119 -12.287 1.485 9.644 1.00 1.97 C ATOM 1870 O ALA A 119 -12.396 2.191 10.647 1.00 2.53 O ATOM 1871 CB ALA A 119 -13.759 -0.445 10.369 1.00 2.07 C ATOM 0 H ALA A 119 -11.183 -0.199 11.482 1.00 1.29 H new ATOM 0 HA ALA A 119 -12.331 -0.453 8.760 1.00 1.62 H new ATOM 0 HB1 ALA A 119 -14.563 -0.013 9.773 1.00 2.07 H new ATOM 0 HB2 ALA A 119 -13.851 -1.531 10.369 1.00 2.07 H new ATOM 0 HB3 ALA A 119 -13.827 -0.075 11.392 1.00 2.07 H new ATOM 1877 N ARG A 120 -12.130 1.991 8.412 1.00 2.19 N ATOM 1878 CA ARG A 120 -12.371 3.377 7.994 1.00 2.82 C ATOM 1879 C ARG A 120 -13.094 3.439 6.642 1.00 3.86 C ATOM 1880 O ARG A 120 -13.233 2.399 5.966 1.00 4.87 O ATOM 1881 CB ARG A 120 -11.034 4.133 7.931 1.00 3.05 C ATOM 1882 CG ARG A 120 -10.414 4.373 9.314 1.00 3.59 C ATOM 1883 CD ARG A 120 -9.247 5.361 9.219 1.00 4.35 C ATOM 1884 NE ARG A 120 -8.014 4.735 8.726 1.00 5.14 N ATOM 1885 CZ ARG A 120 -7.165 5.141 7.807 1.00 6.22 C ATOM 1886 NH1 ARG A 120 -7.257 6.284 7.187 1.00 6.65 N ATOM 1887 NH2 ARG A 120 -6.186 4.371 7.480 1.00 7.56 N ATOM 1888 OXT ARG A 120 -13.393 4.573 6.204 1.00 4.20 O ATOM 0 H ARG A 120 -11.813 1.409 7.637 1.00 2.19 H new ATOM 0 HA ARG A 120 -13.020 3.853 8.729 1.00 2.82 H new ATOM 0 HB2 ARG A 120 -10.332 3.568 7.318 1.00 3.05 H new ATOM 0 HB3 ARG A 120 -11.188 5.092 7.437 1.00 3.05 H new ATOM 0 HG2 ARG A 120 -11.171 4.761 9.995 1.00 3.59 H new ATOM 0 HG3 ARG A 120 -10.064 3.428 9.730 1.00 3.59 H new ATOM 0 HD2 ARG A 120 -9.523 6.181 8.556 1.00 4.35 H new ATOM 0 HD3 ARG A 120 -9.062 5.794 10.202 1.00 4.35 H new ATOM 0 HE ARG A 120 -7.779 3.845 9.165 1.00 5.14 H new ATOM 0 HH11 ARG A 120 -8.022 6.923 7.406 1.00 6.65 H new ATOM 0 HH12 ARG A 120 -6.564 6.540 6.483 1.00 6.65 H new ATOM 0 HH21 ARG A 120 -6.079 3.463 7.932 1.00 7.56 H new ATOM 0 HH22 ARG A 120 -5.518 4.669 6.769 1.00 7.56 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -6.047 4.977 -4.186 1.00 0.47 CU