USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 LYS NZ :NH3+ -159:sc= -0.427 (180deg=-4.09) USER MOD Set 1.2: A 50 ASN :FLIP amide:sc= -0.684 F(o=-4.4!,f=-1.1) USER MOD Single : A 1 SER N :NH3+ -171:sc= 1.18 (180deg=1.13) USER MOD Single : A 1 SER OG : rot -24:sc= 1.2 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -150:sc= 0.584 USER MOD Single : A 9 ASN : amide:sc= -0.811 K(o=-0.81,f=-1.4!) USER MOD Single : A 11 THR OG1 : rot -65:sc= 1.16 USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0638) USER MOD Single : A 19 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.3!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 24:sc= 0.707 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0762 K(o=-0.076,f=-0.85) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0838) USER MOD Single : A 47 SER OG : rot 85:sc= 1.24 USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= 1.25 (180deg=1.09) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= 0.825 (180deg=0.379) USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= 1.16 (180deg=0.916) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 0.991 (180deg=0.86) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.297 20.810 13.924 1.00 15.00 N ATOM 2 CA SER A 1 8.552 20.020 12.984 1.00 15.00 C ATOM 3 C SER A 1 9.104 20.243 11.582 1.00 15.00 C ATOM 4 O SER A 1 9.372 21.376 11.187 1.00 15.00 O ATOM 5 CB SER A 1 7.084 20.450 13.060 1.00 15.00 C ATOM 6 OG SER A 1 6.598 20.394 14.415 1.00 15.00 O ATOM 0 H1 SER A 1 9.025 20.546 14.892 1.00 15.00 H new ATOM 0 H2 SER A 1 10.314 20.639 13.791 1.00 15.00 H new ATOM 0 H3 SER A 1 9.092 21.818 13.770 1.00 15.00 H new ATOM 0 HA SER A 1 8.636 18.959 13.219 1.00 15.00 H new ATOM 0 HB2 SER A 1 6.978 21.464 12.674 1.00 15.00 H new ATOM 0 HB3 SER A 1 6.479 19.802 12.426 1.00 15.00 H new ATOM 0 HG SER A 1 7.138 19.759 14.930 1.00 15.00 H new ATOM 12 N LYS A 2 9.317 19.174 10.856 1.00 15.00 N ATOM 13 CA LYS A 2 9.843 19.182 9.519 1.00 15.00 C ATOM 14 C LYS A 2 8.850 18.618 8.572 1.00 15.00 C ATOM 15 O LYS A 2 7.785 18.250 8.986 1.00 15.00 O ATOM 16 CB LYS A 2 11.044 18.231 9.514 1.00 15.00 C ATOM 17 CG LYS A 2 12.188 18.771 10.329 1.00 15.00 C ATOM 18 CD LYS A 2 13.373 17.872 10.275 1.00 15.00 C ATOM 19 CE LYS A 2 14.498 18.439 11.094 1.00 15.00 C ATOM 20 NZ LYS A 2 15.592 17.494 11.173 1.00 15.00 N ATOM 0 H LYS A 2 9.119 18.234 11.199 1.00 15.00 H new ATOM 0 HA LYS A 2 10.098 20.201 9.227 1.00 15.00 H new ATOM 0 HB2 LYS A 2 10.742 17.262 9.910 1.00 15.00 H new ATOM 0 HB3 LYS A 2 11.374 18.068 8.488 1.00 15.00 H new ATOM 0 HG2 LYS A 2 12.463 19.759 9.960 1.00 15.00 H new ATOM 0 HG3 LYS A 2 11.871 18.894 11.365 1.00 15.00 H new ATOM 0 HD2 LYS A 2 13.105 16.884 10.648 1.00 15.00 H new ATOM 0 HD3 LYS A 2 13.695 17.746 9.241 1.00 15.00 H new ATOM 0 HE2 LYS A 2 14.846 19.371 10.649 1.00 15.00 H new ATOM 0 HE3 LYS A 2 14.142 18.677 12.096 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 16.187 17.719 11.996 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 15.212 16.531 11.274 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 16.164 17.552 10.306 1.00 15.00 H new ATOM 34 N TRP A 3 9.187 18.553 7.327 1.00 15.00 N ATOM 35 CA TRP A 3 8.370 17.928 6.339 1.00 15.00 C ATOM 36 C TRP A 3 9.244 17.163 5.407 1.00 15.00 C ATOM 37 O TRP A 3 10.132 17.733 4.810 1.00 15.00 O ATOM 38 CB TRP A 3 7.643 18.988 5.490 1.00 15.00 C ATOM 39 CG TRP A 3 6.401 18.370 4.898 1.00 15.00 C ATOM 40 CD1 TRP A 3 5.171 18.357 5.474 1.00 15.00 C ATOM 41 CD2 TRP A 3 6.271 17.615 3.675 1.00 15.00 C ATOM 42 NE1 TRP A 3 4.290 17.656 4.700 1.00 15.00 N ATOM 43 CE2 TRP A 3 4.930 17.195 3.592 1.00 15.00 C ATOM 44 CE3 TRP A 3 7.145 17.262 2.650 1.00 15.00 C ATOM 45 CZ2 TRP A 3 4.445 16.438 2.530 1.00 15.00 C ATOM 46 CZ3 TRP A 3 6.662 16.511 1.596 1.00 15.00 C ATOM 47 CH2 TRP A 3 5.324 16.106 1.543 1.00 15.00 C ATOM 0 H TRP A 3 10.056 18.941 6.960 1.00 15.00 H new ATOM 0 HA TRP A 3 7.650 17.286 6.846 1.00 15.00 H new ATOM 0 HB2 TRP A 3 7.380 19.848 6.105 1.00 15.00 H new ATOM 0 HB3 TRP A 3 8.298 19.351 4.698 1.00 15.00 H new ATOM 0 HD1 TRP A 3 4.924 18.833 6.411 1.00 15.00 H new ATOM 0 HE1 TRP A 3 3.306 17.502 4.919 1.00 15.00 H new ATOM 0 HE3 TRP A 3 8.180 17.569 2.679 1.00 15.00 H new ATOM 0 HZ2 TRP A 3 3.412 16.126 2.489 1.00 15.00 H new ATOM 0 HZ3 TRP A 3 7.331 16.231 0.796 1.00 15.00 H new ATOM 0 HH2 TRP A 3 4.981 15.519 0.704 1.00 15.00 H new ATOM 58 N ILE A 4 9.039 15.860 5.317 1.00 15.00 N ATOM 59 CA ILE A 4 9.736 15.016 4.331 1.00 15.00 C ATOM 60 C ILE A 4 8.752 14.034 3.780 1.00 15.00 C ATOM 61 O ILE A 4 7.782 13.694 4.459 1.00 15.00 O ATOM 62 CB ILE A 4 10.991 14.239 4.869 1.00 15.00 C ATOM 63 CG1 ILE A 4 10.620 13.226 5.946 1.00 15.00 C ATOM 64 CG2 ILE A 4 12.052 15.182 5.371 1.00 15.00 C ATOM 65 CD1 ILE A 4 11.768 12.351 6.401 1.00 15.00 C ATOM 0 H ILE A 4 8.391 15.349 5.916 1.00 15.00 H new ATOM 0 HA ILE A 4 10.127 15.696 3.574 1.00 15.00 H new ATOM 0 HB ILE A 4 11.400 13.686 4.024 1.00 15.00 H new ATOM 0 HG12 ILE A 4 10.222 13.760 6.809 1.00 15.00 H new ATOM 0 HG13 ILE A 4 9.820 12.589 5.569 1.00 15.00 H new ATOM 0 HG21 ILE A 4 12.905 14.609 5.735 1.00 15.00 H new ATOM 0 HG22 ILE A 4 12.373 15.834 4.559 1.00 15.00 H new ATOM 0 HG23 ILE A 4 11.647 15.786 6.183 1.00 15.00 H new ATOM 0 HD11 ILE A 4 11.417 11.660 7.167 1.00 15.00 H new ATOM 0 HD12 ILE A 4 12.154 11.786 5.552 1.00 15.00 H new ATOM 0 HD13 ILE A 4 12.561 12.976 6.812 1.00 15.00 H new ATOM 77 N LYS A 5 8.934 13.606 2.560 1.00 15.00 N ATOM 78 CA LYS A 5 8.114 12.580 2.027 1.00 15.00 C ATOM 79 C LYS A 5 8.983 11.390 1.667 1.00 15.00 C ATOM 80 O LYS A 5 10.140 11.534 1.304 1.00 15.00 O ATOM 81 CB LYS A 5 7.304 13.047 0.796 1.00 15.00 C ATOM 82 CG LYS A 5 6.300 11.999 0.308 1.00 15.00 C ATOM 83 CD LYS A 5 5.549 12.419 -0.939 1.00 15.00 C ATOM 84 CE LYS A 5 4.564 11.329 -1.356 1.00 15.00 C ATOM 85 NZ LYS A 5 3.816 11.676 -2.581 1.00 15.00 N ATOM 0 H LYS A 5 9.648 13.960 1.924 1.00 15.00 H new ATOM 0 HA LYS A 5 7.387 12.300 2.789 1.00 15.00 H new ATOM 0 HB2 LYS A 5 6.771 13.964 1.045 1.00 15.00 H new ATOM 0 HB3 LYS A 5 7.992 13.288 -0.014 1.00 15.00 H new ATOM 0 HG2 LYS A 5 6.828 11.066 0.108 1.00 15.00 H new ATOM 0 HG3 LYS A 5 5.583 11.795 1.103 1.00 15.00 H new ATOM 0 HD2 LYS A 5 5.014 13.350 -0.753 1.00 15.00 H new ATOM 0 HD3 LYS A 5 6.253 12.612 -1.748 1.00 15.00 H new ATOM 0 HE2 LYS A 5 5.106 10.397 -1.518 1.00 15.00 H new ATOM 0 HE3 LYS A 5 3.860 11.151 -0.543 1.00 15.00 H new ATOM 0 HZ1 LYS A 5 3.162 10.903 -2.819 1.00 15.00 H new ATOM 0 HZ2 LYS A 5 3.275 12.550 -2.422 1.00 15.00 H new ATOM 0 HZ3 LYS A 5 4.483 11.820 -3.366 1.00 15.00 H new ATOM 99 N PHE A 6 8.408 10.264 1.830 1.00 15.00 N ATOM 100 CA PHE A 6 8.981 8.992 1.570 1.00 15.00 C ATOM 101 C PHE A 6 7.819 8.230 0.996 1.00 15.00 C ATOM 102 O PHE A 6 6.688 8.706 1.130 1.00 15.00 O ATOM 103 CB PHE A 6 9.467 8.397 2.902 1.00 15.00 C ATOM 104 CG PHE A 6 10.280 7.145 2.790 1.00 15.00 C ATOM 105 CD1 PHE A 6 11.593 7.210 2.371 1.00 15.00 C ATOM 106 CD2 PHE A 6 9.755 5.916 3.137 1.00 15.00 C ATOM 107 CE1 PHE A 6 12.366 6.078 2.294 1.00 15.00 C ATOM 108 CE2 PHE A 6 10.529 4.777 3.058 1.00 15.00 C ATOM 109 CZ PHE A 6 11.834 4.859 2.636 1.00 15.00 C ATOM 0 H PHE A 6 7.451 10.195 2.175 1.00 15.00 H new ATOM 0 HA PHE A 6 9.842 8.989 0.902 1.00 15.00 H new ATOM 0 HB2 PHE A 6 10.061 9.150 3.421 1.00 15.00 H new ATOM 0 HB3 PHE A 6 8.598 8.190 3.526 1.00 15.00 H new ATOM 0 HD1 PHE A 6 12.019 8.165 2.100 1.00 15.00 H new ATOM 0 HD2 PHE A 6 8.731 5.846 3.473 1.00 15.00 H new ATOM 0 HE1 PHE A 6 13.392 6.146 1.965 1.00 15.00 H new ATOM 0 HE2 PHE A 6 10.109 3.820 3.328 1.00 15.00 H new ATOM 0 HZ PHE A 6 12.440 3.967 2.573 1.00 15.00 H new ATOM 119 N THR A 7 8.013 7.207 0.237 1.00 15.00 N ATOM 120 CA THR A 7 6.849 6.465 -0.139 1.00 15.00 C ATOM 121 C THR A 7 7.001 4.987 0.225 1.00 15.00 C ATOM 122 O THR A 7 8.040 4.416 -0.048 1.00 15.00 O ATOM 123 CB THR A 7 6.568 6.653 -1.641 1.00 15.00 C ATOM 124 OG1 THR A 7 6.603 8.056 -1.943 1.00 15.00 O ATOM 125 CG2 THR A 7 5.198 6.122 -2.013 1.00 15.00 C ATOM 0 H THR A 7 8.908 6.875 -0.121 1.00 15.00 H new ATOM 0 HA THR A 7 5.993 6.846 0.418 1.00 15.00 H new ATOM 0 HB THR A 7 7.324 6.106 -2.205 1.00 15.00 H new ATOM 0 HG1 THR A 7 6.427 8.190 -2.898 1.00 15.00 H new ATOM 0 HG21 THR A 7 5.028 6.269 -3.080 1.00 15.00 H new ATOM 0 HG22 THR A 7 5.144 5.059 -1.780 1.00 15.00 H new ATOM 0 HG23 THR A 7 4.435 6.656 -1.447 1.00 15.00 H new ATOM 133 N THR A 8 5.996 4.387 0.899 1.00 15.00 N ATOM 134 CA THR A 8 6.038 2.944 1.154 1.00 15.00 C ATOM 135 C THR A 8 4.711 2.209 0.991 1.00 15.00 C ATOM 136 O THR A 8 3.716 2.568 1.601 1.00 15.00 O ATOM 137 CB THR A 8 6.696 2.592 2.509 1.00 15.00 C ATOM 138 OG1 THR A 8 6.364 3.600 3.476 1.00 15.00 O ATOM 139 CG2 THR A 8 8.196 2.413 2.396 1.00 15.00 C ATOM 0 H THR A 8 5.173 4.867 1.263 1.00 15.00 H new ATOM 0 HA THR A 8 6.676 2.573 0.352 1.00 15.00 H new ATOM 0 HB THR A 8 6.301 1.631 2.837 1.00 15.00 H new ATOM 0 HG1 THR A 8 7.090 3.677 4.130 1.00 15.00 H new ATOM 0 HG21 THR A 8 8.608 2.167 3.375 1.00 15.00 H new ATOM 0 HG22 THR A 8 8.414 1.605 1.697 1.00 15.00 H new ATOM 0 HG23 THR A 8 8.647 3.337 2.035 1.00 15.00 H new ATOM 147 N ASN A 9 4.694 1.143 0.147 1.00 15.00 N ATOM 148 CA ASN A 9 3.532 0.210 0.052 1.00 15.00 C ATOM 149 C ASN A 9 3.982 -1.065 0.805 1.00 15.00 C ATOM 150 O ASN A 9 3.336 -2.100 0.848 1.00 15.00 O ATOM 151 CB ASN A 9 3.208 -0.098 -1.422 1.00 15.00 C ATOM 152 CG ASN A 9 1.826 -0.707 -1.667 1.00 15.00 C ATOM 153 OD1 ASN A 9 1.235 -1.342 -0.808 1.00 15.00 O ATOM 154 ND2 ASN A 9 1.317 -0.520 -2.857 1.00 15.00 N ATOM 0 H ASN A 9 5.467 0.907 -0.476 1.00 15.00 H new ATOM 0 HA ASN A 9 2.624 0.632 0.482 1.00 15.00 H new ATOM 0 HB2 ASN A 9 3.289 0.825 -1.997 1.00 15.00 H new ATOM 0 HB3 ASN A 9 3.963 -0.782 -1.809 1.00 15.00 H new ATOM 0 HD21 ASN A 9 0.403 -0.909 -3.088 1.00 15.00 H new ATOM 0 HD22 ASN A 9 1.834 0.015 -3.555 1.00 15.00 H new ATOM 161 N LEU A 10 5.122 -0.883 1.391 1.00 15.00 N ATOM 162 CA LEU A 10 5.840 -1.840 2.188 1.00 15.00 C ATOM 163 C LEU A 10 5.466 -1.501 3.594 1.00 15.00 C ATOM 164 O LEU A 10 4.884 -0.445 3.812 1.00 15.00 O ATOM 165 CB LEU A 10 7.375 -1.750 1.997 1.00 15.00 C ATOM 166 CG LEU A 10 7.948 -1.980 0.579 1.00 15.00 C ATOM 167 CD1 LEU A 10 7.620 -0.826 -0.357 1.00 15.00 C ATOM 168 CD2 LEU A 10 9.451 -2.195 0.638 1.00 15.00 C ATOM 0 H LEU A 10 5.618 0.006 1.323 1.00 15.00 H new ATOM 0 HA LEU A 10 5.581 -2.860 1.905 1.00 15.00 H new ATOM 0 HB2 LEU A 10 7.695 -0.763 2.330 1.00 15.00 H new ATOM 0 HB3 LEU A 10 7.837 -2.477 2.665 1.00 15.00 H new ATOM 0 HG LEU A 10 7.475 -2.877 0.180 1.00 15.00 H new ATOM 0 HD11 LEU A 10 8.040 -1.026 -1.343 1.00 15.00 H new ATOM 0 HD12 LEU A 10 6.538 -0.720 -0.438 1.00 15.00 H new ATOM 0 HD13 LEU A 10 8.046 0.096 0.039 1.00 15.00 H new ATOM 0 HD21 LEU A 10 9.835 -2.355 -0.369 1.00 15.00 H new ATOM 0 HD22 LEU A 10 9.927 -1.316 1.073 1.00 15.00 H new ATOM 0 HD23 LEU A 10 9.670 -3.068 1.253 1.00 15.00 H new ATOM 180 N THR A 11 5.786 -2.316 4.549 1.00 15.00 N ATOM 181 CA THR A 11 5.396 -2.070 5.894 1.00 15.00 C ATOM 182 C THR A 11 6.604 -2.632 6.601 1.00 15.00 C ATOM 183 O THR A 11 7.212 -1.969 7.438 1.00 15.00 O ATOM 184 CB THR A 11 4.043 -2.720 6.329 1.00 15.00 C ATOM 185 OG1 THR A 11 2.965 -2.194 5.526 1.00 15.00 O ATOM 186 CG2 THR A 11 3.754 -2.432 7.795 1.00 15.00 C ATOM 0 H THR A 11 6.326 -3.171 4.414 1.00 15.00 H new ATOM 0 HA THR A 11 5.169 -1.026 6.110 1.00 15.00 H new ATOM 0 HB THR A 11 4.122 -3.798 6.186 1.00 15.00 H new ATOM 0 HG1 THR A 11 2.856 -1.238 5.710 1.00 15.00 H new ATOM 0 HG21 THR A 11 2.808 -2.894 8.077 1.00 15.00 H new ATOM 0 HG22 THR A 11 4.555 -2.841 8.411 1.00 15.00 H new ATOM 0 HG23 THR A 11 3.692 -1.355 7.949 1.00 15.00 H new ATOM 194 N PRO A 12 7.029 -3.895 6.217 1.00 15.00 N ATOM 195 CA PRO A 12 8.377 -4.277 6.449 1.00 15.00 C ATOM 196 C PRO A 12 9.242 -3.391 5.543 1.00 15.00 C ATOM 197 O PRO A 12 9.053 -3.382 4.326 1.00 15.00 O ATOM 198 CB PRO A 12 8.464 -5.759 6.059 1.00 15.00 C ATOM 199 CG PRO A 12 7.264 -6.010 5.219 1.00 15.00 C ATOM 200 CD PRO A 12 6.220 -5.043 5.690 1.00 15.00 C ATOM 0 HA PRO A 12 8.713 -4.155 7.479 1.00 15.00 H new ATOM 0 HB2 PRO A 12 9.381 -5.968 5.509 1.00 15.00 H new ATOM 0 HB3 PRO A 12 8.468 -6.399 6.941 1.00 15.00 H new ATOM 0 HG2 PRO A 12 7.488 -5.858 4.163 1.00 15.00 H new ATOM 0 HG3 PRO A 12 6.920 -7.039 5.327 1.00 15.00 H new ATOM 0 HD2 PRO A 12 5.563 -4.733 4.878 1.00 15.00 H new ATOM 0 HD3 PRO A 12 5.587 -5.478 6.464 1.00 15.00 H new ATOM 208 N GLU A 13 10.140 -2.678 6.166 1.00 15.00 N ATOM 209 CA GLU A 13 10.960 -1.581 5.606 1.00 15.00 C ATOM 210 C GLU A 13 11.127 -0.668 6.778 1.00 15.00 C ATOM 211 O GLU A 13 12.022 -0.901 7.603 1.00 15.00 O ATOM 212 CB GLU A 13 10.336 -0.805 4.413 1.00 15.00 C ATOM 213 CG GLU A 13 11.252 0.262 3.802 1.00 15.00 C ATOM 214 CD GLU A 13 12.525 -0.316 3.221 1.00 15.00 C ATOM 215 OE1 GLU A 13 12.478 -0.902 2.121 1.00 15.00 O ATOM 216 OE2 GLU A 13 13.589 -0.208 3.862 1.00 15.00 O ATOM 0 H GLU A 13 10.351 -2.842 7.150 1.00 15.00 H new ATOM 0 HA GLU A 13 11.878 -1.982 5.177 1.00 15.00 H new ATOM 0 HB2 GLU A 13 10.061 -1.518 3.636 1.00 15.00 H new ATOM 0 HB3 GLU A 13 9.415 -0.327 4.748 1.00 15.00 H new ATOM 0 HG2 GLU A 13 10.710 0.794 3.020 1.00 15.00 H new ATOM 0 HG3 GLU A 13 11.508 0.995 4.567 1.00 15.00 H new ATOM 223 N GLU A 14 10.202 0.275 7.001 1.00 15.00 N ATOM 224 CA GLU A 14 10.271 1.173 8.145 1.00 15.00 C ATOM 225 C GLU A 14 9.910 0.466 9.444 1.00 15.00 C ATOM 226 O GLU A 14 9.822 1.074 10.475 1.00 15.00 O ATOM 227 CB GLU A 14 9.364 2.350 7.914 1.00 15.00 C ATOM 228 CG GLU A 14 9.720 3.182 6.703 1.00 15.00 C ATOM 229 CD GLU A 14 8.747 4.304 6.503 1.00 15.00 C ATOM 230 OE1 GLU A 14 8.846 5.306 7.238 1.00 15.00 O ATOM 231 OE2 GLU A 14 7.874 4.181 5.613 1.00 15.00 O ATOM 0 H GLU A 14 9.395 0.430 6.396 1.00 15.00 H new ATOM 0 HA GLU A 14 11.300 1.519 8.245 1.00 15.00 H new ATOM 0 HB2 GLU A 14 8.341 1.990 7.805 1.00 15.00 H new ATOM 0 HB3 GLU A 14 9.384 2.988 8.797 1.00 15.00 H new ATOM 0 HG2 GLU A 14 10.725 3.587 6.821 1.00 15.00 H new ATOM 0 HG3 GLU A 14 9.734 2.548 5.816 1.00 15.00 H new ATOM 238 N ALA A 15 9.700 -0.818 9.368 1.00 15.00 N ATOM 239 CA ALA A 15 9.442 -1.599 10.555 1.00 15.00 C ATOM 240 C ALA A 15 10.780 -1.786 11.266 1.00 15.00 C ATOM 241 O ALA A 15 10.865 -1.901 12.479 1.00 15.00 O ATOM 242 CB ALA A 15 8.841 -2.945 10.184 1.00 15.00 C ATOM 0 H ALA A 15 9.701 -1.351 8.498 1.00 15.00 H new ATOM 0 HA ALA A 15 8.728 -1.093 11.205 1.00 15.00 H new ATOM 0 HB1 ALA A 15 8.653 -3.521 11.090 1.00 15.00 H new ATOM 0 HB2 ALA A 15 7.903 -2.790 9.651 1.00 15.00 H new ATOM 0 HB3 ALA A 15 9.536 -3.490 9.545 1.00 15.00 H new ATOM 248 N LYS A 16 11.821 -1.802 10.446 1.00 15.00 N ATOM 249 CA LYS A 16 13.189 -1.995 10.872 1.00 15.00 C ATOM 250 C LYS A 16 13.924 -0.644 10.835 1.00 15.00 C ATOM 251 O LYS A 16 14.477 -0.171 11.837 1.00 15.00 O ATOM 252 CB LYS A 16 13.837 -2.971 9.890 1.00 15.00 C ATOM 253 CG LYS A 16 13.169 -4.342 9.860 1.00 15.00 C ATOM 254 CD LYS A 16 13.856 -5.267 8.877 1.00 15.00 C ATOM 255 CE LYS A 16 13.185 -6.638 8.799 1.00 15.00 C ATOM 256 NZ LYS A 16 13.238 -7.367 10.089 1.00 15.00 N ATOM 0 H LYS A 16 11.728 -1.677 9.438 1.00 15.00 H new ATOM 0 HA LYS A 16 13.236 -2.389 11.887 1.00 15.00 H new ATOM 0 HB2 LYS A 16 13.807 -2.540 8.889 1.00 15.00 H new ATOM 0 HB3 LYS A 16 14.888 -3.094 10.153 1.00 15.00 H new ATOM 0 HG2 LYS A 16 13.194 -4.783 10.856 1.00 15.00 H new ATOM 0 HG3 LYS A 16 12.120 -4.232 9.587 1.00 15.00 H new ATOM 0 HD2 LYS A 16 13.854 -4.808 7.888 1.00 15.00 H new ATOM 0 HD3 LYS A 16 14.899 -5.392 9.168 1.00 15.00 H new ATOM 0 HE2 LYS A 16 12.145 -6.514 8.497 1.00 15.00 H new ATOM 0 HE3 LYS A 16 13.672 -7.234 8.027 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 12.894 -8.339 9.953 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 14.219 -7.392 10.434 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 12.638 -6.882 10.787 1.00 15.00 H new ATOM 270 N ILE A 17 13.861 -0.013 9.657 1.00 15.00 N ATOM 271 CA ILE A 17 14.499 1.283 9.360 1.00 15.00 C ATOM 272 C ILE A 17 14.074 2.392 10.336 1.00 15.00 C ATOM 273 O ILE A 17 14.829 3.342 10.561 1.00 15.00 O ATOM 274 CB ILE A 17 14.252 1.705 7.870 1.00 15.00 C ATOM 275 CG1 ILE A 17 14.766 0.617 6.910 1.00 15.00 C ATOM 276 CG2 ILE A 17 14.899 3.052 7.530 1.00 15.00 C ATOM 277 CD1 ILE A 17 16.223 0.227 7.107 1.00 15.00 C ATOM 0 H ILE A 17 13.352 -0.396 8.860 1.00 15.00 H new ATOM 0 HA ILE A 17 15.571 1.145 9.501 1.00 15.00 H new ATOM 0 HB ILE A 17 13.175 1.819 7.747 1.00 15.00 H new ATOM 0 HG12 ILE A 17 14.148 -0.273 7.028 1.00 15.00 H new ATOM 0 HG13 ILE A 17 14.633 0.964 5.885 1.00 15.00 H new ATOM 0 HG21 ILE A 17 14.699 3.299 6.487 1.00 15.00 H new ATOM 0 HG22 ILE A 17 14.483 3.828 8.173 1.00 15.00 H new ATOM 0 HG23 ILE A 17 15.976 2.989 7.688 1.00 15.00 H new ATOM 0 HD11 ILE A 17 16.494 -0.545 6.386 1.00 15.00 H new ATOM 0 HD12 ILE A 17 16.857 1.101 6.958 1.00 15.00 H new ATOM 0 HD13 ILE A 17 16.364 -0.155 8.118 1.00 15.00 H new ATOM 289 N VAL A 18 12.906 2.239 10.947 1.00 15.00 N ATOM 290 CA VAL A 18 12.386 3.216 11.905 1.00 15.00 C ATOM 291 C VAL A 18 13.363 3.480 13.065 1.00 15.00 C ATOM 292 O VAL A 18 13.344 4.544 13.629 1.00 15.00 O ATOM 293 CB VAL A 18 10.992 2.809 12.484 1.00 15.00 C ATOM 294 CG1 VAL A 18 11.086 1.598 13.409 1.00 15.00 C ATOM 295 CG2 VAL A 18 10.312 3.984 13.186 1.00 15.00 C ATOM 0 H VAL A 18 12.292 1.439 10.796 1.00 15.00 H new ATOM 0 HA VAL A 18 12.266 4.137 11.334 1.00 15.00 H new ATOM 0 HB VAL A 18 10.371 2.521 11.636 1.00 15.00 H new ATOM 0 HG11 VAL A 18 10.094 1.351 13.788 1.00 15.00 H new ATOM 0 HG12 VAL A 18 11.485 0.748 12.856 1.00 15.00 H new ATOM 0 HG13 VAL A 18 11.746 1.829 14.245 1.00 15.00 H new ATOM 0 HG21 VAL A 18 9.346 3.665 13.576 1.00 15.00 H new ATOM 0 HG22 VAL A 18 10.939 4.329 14.008 1.00 15.00 H new ATOM 0 HG23 VAL A 18 10.166 4.797 12.475 1.00 15.00 H new ATOM 305 N GLN A 19 14.245 2.516 13.392 1.00 15.00 N ATOM 306 CA GLN A 19 15.151 2.698 14.521 1.00 15.00 C ATOM 307 C GLN A 19 16.158 3.809 14.183 1.00 15.00 C ATOM 308 O GLN A 19 16.508 4.615 15.015 1.00 15.00 O ATOM 309 CB GLN A 19 15.873 1.373 14.838 1.00 15.00 C ATOM 310 CG GLN A 19 16.791 1.403 16.074 1.00 15.00 C ATOM 311 CD GLN A 19 16.061 1.658 17.400 1.00 15.00 C ATOM 312 OE1 GLN A 19 16.630 2.212 18.345 1.00 15.00 O ATOM 313 NE2 GLN A 19 14.823 1.259 17.493 1.00 15.00 N ATOM 0 H GLN A 19 14.342 1.628 12.899 1.00 15.00 H new ATOM 0 HA GLN A 19 14.587 2.991 15.406 1.00 15.00 H new ATOM 0 HB2 GLN A 19 15.123 0.595 14.982 1.00 15.00 H new ATOM 0 HB3 GLN A 19 16.468 1.086 13.971 1.00 15.00 H new ATOM 0 HG2 GLN A 19 17.320 0.452 16.142 1.00 15.00 H new ATOM 0 HG3 GLN A 19 17.544 2.178 15.933 1.00 15.00 H new ATOM 0 HE21 GLN A 19 14.373 0.803 16.699 1.00 15.00 H new ATOM 0 HE22 GLN A 19 14.305 1.403 18.360 1.00 15.00 H new ATOM 322 N TYR A 20 16.668 3.766 12.967 1.00 15.00 N ATOM 323 CA TYR A 20 17.506 4.855 12.433 1.00 15.00 C ATOM 324 C TYR A 20 16.806 6.230 12.499 1.00 15.00 C ATOM 325 O TYR A 20 17.374 7.177 13.018 1.00 15.00 O ATOM 326 CB TYR A 20 17.931 4.540 10.996 1.00 15.00 C ATOM 327 CG TYR A 20 18.703 3.251 10.899 1.00 15.00 C ATOM 328 CD1 TYR A 20 19.968 3.144 11.445 1.00 15.00 C ATOM 329 CD2 TYR A 20 18.148 2.129 10.310 1.00 15.00 C ATOM 330 CE1 TYR A 20 20.665 1.961 11.397 1.00 15.00 C ATOM 331 CE2 TYR A 20 18.834 0.934 10.264 1.00 15.00 C ATOM 332 CZ TYR A 20 20.095 0.860 10.809 1.00 15.00 C ATOM 333 OH TYR A 20 20.785 -0.327 10.786 1.00 15.00 O ATOM 0 H TYR A 20 16.524 2.992 12.319 1.00 15.00 H new ATOM 0 HA TYR A 20 18.390 4.919 13.067 1.00 15.00 H new ATOM 0 HB2 TYR A 20 17.046 4.480 10.363 1.00 15.00 H new ATOM 0 HB3 TYR A 20 18.542 5.357 10.613 1.00 15.00 H new ATOM 0 HD1 TYR A 20 20.417 4.005 11.918 1.00 15.00 H new ATOM 0 HD2 TYR A 20 17.160 2.190 9.879 1.00 15.00 H new ATOM 0 HE1 TYR A 20 21.657 1.898 11.820 1.00 15.00 H new ATOM 0 HE2 TYR A 20 18.386 0.065 9.805 1.00 15.00 H new ATOM 0 HH TYR A 20 20.246 -1.010 10.336 1.00 15.00 H new ATOM 343 N GLU A 21 15.567 6.303 12.008 1.00 15.00 N ATOM 344 CA GLU A 21 14.710 7.540 12.084 1.00 15.00 C ATOM 345 C GLU A 21 14.543 8.046 13.559 1.00 15.00 C ATOM 346 O GLU A 21 14.361 9.211 13.847 1.00 15.00 O ATOM 347 CB GLU A 21 13.314 7.189 11.529 1.00 15.00 C ATOM 348 CG GLU A 21 12.431 8.404 11.273 1.00 15.00 C ATOM 349 CD GLU A 21 12.988 9.273 10.154 1.00 15.00 C ATOM 350 OE1 GLU A 21 13.545 8.719 9.182 1.00 15.00 O ATOM 351 OE2 GLU A 21 12.888 10.520 10.226 1.00 15.00 O ATOM 0 H GLU A 21 15.109 5.520 11.542 1.00 15.00 H new ATOM 0 HA GLU A 21 15.191 8.330 11.507 1.00 15.00 H new ATOM 0 HB2 GLU A 21 13.432 6.635 10.598 1.00 15.00 H new ATOM 0 HB3 GLU A 21 12.810 6.527 12.232 1.00 15.00 H new ATOM 0 HG2 GLU A 21 11.425 8.075 11.013 1.00 15.00 H new ATOM 0 HG3 GLU A 21 12.348 8.994 12.186 1.00 15.00 H new ATOM 358 N LEU A 22 14.721 7.098 14.429 1.00 15.00 N ATOM 359 CA LEU A 22 14.463 7.147 15.853 1.00 15.00 C ATOM 360 C LEU A 22 15.740 7.419 16.615 1.00 15.00 C ATOM 361 O LEU A 22 15.693 7.870 17.750 1.00 15.00 O ATOM 362 CB LEU A 22 13.923 5.765 16.275 1.00 15.00 C ATOM 363 CG LEU A 22 13.516 5.570 17.737 1.00 15.00 C ATOM 364 CD1 LEU A 22 12.395 6.524 18.124 1.00 15.00 C ATOM 365 CD2 LEU A 22 13.065 4.142 17.944 1.00 15.00 C ATOM 0 H LEU A 22 15.082 6.187 14.144 1.00 15.00 H new ATOM 0 HA LEU A 22 13.750 7.942 16.071 1.00 15.00 H new ATOM 0 HB2 LEU A 22 13.056 5.541 15.654 1.00 15.00 H new ATOM 0 HB3 LEU A 22 14.685 5.022 16.038 1.00 15.00 H new ATOM 0 HG LEU A 22 14.378 5.783 18.369 1.00 15.00 H new ATOM 0 HD11 LEU A 22 12.125 6.364 19.168 1.00 15.00 H new ATOM 0 HD12 LEU A 22 12.730 7.553 17.989 1.00 15.00 H new ATOM 0 HD13 LEU A 22 11.526 6.340 17.492 1.00 15.00 H new ATOM 0 HD21 LEU A 22 12.774 4.000 18.985 1.00 15.00 H new ATOM 0 HD22 LEU A 22 12.213 3.932 17.297 1.00 15.00 H new ATOM 0 HD23 LEU A 22 13.882 3.463 17.699 1.00 15.00 H new ATOM 377 N SER A 23 16.885 7.113 16.002 1.00 15.00 N ATOM 378 CA SER A 23 18.188 7.250 16.645 1.00 15.00 C ATOM 379 C SER A 23 18.453 8.648 17.216 1.00 15.00 C ATOM 380 O SER A 23 19.176 8.787 18.212 1.00 15.00 O ATOM 381 CB SER A 23 19.303 6.799 15.701 1.00 15.00 C ATOM 382 OG SER A 23 19.085 5.446 15.279 1.00 15.00 O ATOM 0 H SER A 23 16.932 6.763 15.045 1.00 15.00 H new ATOM 0 HA SER A 23 18.176 6.589 17.512 1.00 15.00 H new ATOM 0 HB2 SER A 23 19.340 7.456 14.832 1.00 15.00 H new ATOM 0 HB3 SER A 23 20.267 6.879 16.203 1.00 15.00 H new ATOM 0 HG SER A 23 18.131 5.232 15.347 1.00 15.00 H new ATOM 388 N THR A 24 17.881 9.665 16.593 1.00 15.00 N ATOM 389 CA THR A 24 18.000 11.019 17.065 1.00 15.00 C ATOM 390 C THR A 24 17.077 11.227 18.297 1.00 15.00 C ATOM 391 O THR A 24 16.068 11.901 18.227 1.00 15.00 O ATOM 392 CB THR A 24 17.608 12.022 15.941 1.00 15.00 C ATOM 393 OG1 THR A 24 18.298 11.674 14.728 1.00 15.00 O ATOM 394 CG2 THR A 24 17.980 13.456 16.317 1.00 15.00 C ATOM 0 H THR A 24 17.322 9.566 15.745 1.00 15.00 H new ATOM 0 HA THR A 24 19.036 11.201 17.352 1.00 15.00 H new ATOM 0 HB THR A 24 16.528 11.965 15.803 1.00 15.00 H new ATOM 0 HG1 THR A 24 18.051 12.304 14.019 1.00 15.00 H new ATOM 0 HG21 THR A 24 17.692 14.130 15.510 1.00 15.00 H new ATOM 0 HG22 THR A 24 17.457 13.740 17.231 1.00 15.00 H new ATOM 0 HG23 THR A 24 19.056 13.522 16.479 1.00 15.00 H new ATOM 402 N ARG A 25 17.401 10.599 19.403 1.00 15.00 N ATOM 403 CA ARG A 25 16.613 10.743 20.599 1.00 15.00 C ATOM 404 C ARG A 25 17.200 11.821 21.454 1.00 15.00 C ATOM 405 O ARG A 25 18.248 11.657 22.078 1.00 15.00 O ATOM 406 CB ARG A 25 16.505 9.456 21.423 1.00 15.00 C ATOM 407 CG ARG A 25 15.751 8.306 20.797 1.00 15.00 C ATOM 408 CD ARG A 25 15.747 7.128 21.756 1.00 15.00 C ATOM 409 NE ARG A 25 15.075 5.933 21.229 1.00 15.00 N ATOM 410 CZ ARG A 25 15.692 4.791 20.902 1.00 15.00 C ATOM 411 NH1 ARG A 25 17.021 4.745 20.809 1.00 15.00 N ATOM 412 NH2 ARG A 25 14.978 3.709 20.649 1.00 15.00 N ATOM 0 H ARG A 25 18.208 9.982 19.497 1.00 15.00 H new ATOM 0 HA ARG A 25 15.604 10.998 20.276 1.00 15.00 H new ATOM 0 HB2 ARG A 25 17.514 9.115 21.653 1.00 15.00 H new ATOM 0 HB3 ARG A 25 16.026 9.699 22.372 1.00 15.00 H new ATOM 0 HG2 ARG A 25 14.729 8.608 20.569 1.00 15.00 H new ATOM 0 HG3 ARG A 25 16.217 8.021 19.854 1.00 15.00 H new ATOM 0 HD2 ARG A 25 16.777 6.873 22.007 1.00 15.00 H new ATOM 0 HD3 ARG A 25 15.258 7.428 22.683 1.00 15.00 H new ATOM 0 HE ARG A 25 14.064 5.977 21.103 1.00 15.00 H new ATOM 0 HH11 ARG A 25 17.574 5.583 20.987 1.00 15.00 H new ATOM 0 HH12 ARG A 25 17.485 3.872 20.559 1.00 15.00 H new ATOM 0 HH21 ARG A 25 13.960 3.746 20.703 1.00 15.00 H new ATOM 0 HH22 ARG A 25 15.445 2.837 20.399 1.00 15.00 H new ATOM 426 N ASP A 26 16.546 12.927 21.424 1.00 15.00 N ATOM 427 CA ASP A 26 16.818 14.021 22.306 1.00 15.00 C ATOM 428 C ASP A 26 15.472 14.627 22.612 1.00 15.00 C ATOM 429 O ASP A 26 14.743 14.065 23.439 1.00 15.00 O ATOM 430 CB ASP A 26 17.808 15.034 21.734 1.00 15.00 C ATOM 431 CG ASP A 26 18.479 15.868 22.811 1.00 15.00 C ATOM 432 OD1 ASP A 26 17.799 16.546 23.604 1.00 15.00 O ATOM 433 OD2 ASP A 26 19.725 15.856 22.882 1.00 15.00 O ATOM 0 H ASP A 26 15.785 13.108 20.770 1.00 15.00 H new ATOM 0 HA ASP A 26 17.318 13.675 23.211 1.00 15.00 H new ATOM 0 HB2 ASP A 26 18.570 14.507 21.160 1.00 15.00 H new ATOM 0 HB3 ASP A 26 17.287 15.694 21.041 1.00 15.00 H new ATOM 438 N GLU A 27 15.077 15.718 21.977 1.00 15.00 N ATOM 439 CA GLU A 27 13.685 16.163 22.184 1.00 15.00 C ATOM 440 C GLU A 27 12.753 15.280 21.340 1.00 15.00 C ATOM 441 O GLU A 27 11.651 14.991 21.795 1.00 15.00 O ATOM 442 CB GLU A 27 13.391 17.636 21.947 1.00 15.00 C ATOM 443 CG GLU A 27 14.551 18.583 22.135 1.00 15.00 C ATOM 444 CD GLU A 27 15.457 18.612 20.921 1.00 15.00 C ATOM 445 OE1 GLU A 27 16.351 17.775 20.819 1.00 15.00 O ATOM 446 OE2 GLU A 27 15.280 19.488 20.057 1.00 15.00 O ATOM 0 H GLU A 27 15.646 16.288 21.352 1.00 15.00 H new ATOM 0 HA GLU A 27 13.504 16.046 23.253 1.00 15.00 H new ATOM 0 HB2 GLU A 27 13.015 17.752 20.930 1.00 15.00 H new ATOM 0 HB3 GLU A 27 12.589 17.938 22.620 1.00 15.00 H new ATOM 0 HG2 GLU A 27 14.173 19.586 22.330 1.00 15.00 H new ATOM 0 HG3 GLU A 27 15.127 18.283 23.011 1.00 15.00 H new ATOM 453 N PHE A 28 13.266 14.840 20.158 1.00 15.00 N ATOM 454 CA PHE A 28 12.563 13.992 19.115 1.00 15.00 C ATOM 455 C PHE A 28 11.065 13.845 19.391 1.00 15.00 C ATOM 456 O PHE A 28 10.650 12.990 20.187 1.00 15.00 O ATOM 457 CB PHE A 28 13.255 12.636 18.977 1.00 15.00 C ATOM 458 CG PHE A 28 12.685 11.700 17.944 1.00 15.00 C ATOM 459 CD1 PHE A 28 13.063 11.796 16.622 1.00 15.00 C ATOM 460 CD2 PHE A 28 11.787 10.707 18.308 1.00 15.00 C ATOM 461 CE1 PHE A 28 12.555 10.925 15.682 1.00 15.00 C ATOM 462 CE2 PHE A 28 11.276 9.840 17.373 1.00 15.00 C ATOM 463 CZ PHE A 28 11.661 9.948 16.056 1.00 15.00 C ATOM 0 H PHE A 28 14.220 15.068 19.880 1.00 15.00 H new ATOM 0 HA PHE A 28 12.640 14.513 18.160 1.00 15.00 H new ATOM 0 HB2 PHE A 28 14.305 12.810 18.740 1.00 15.00 H new ATOM 0 HB3 PHE A 28 13.226 12.136 19.945 1.00 15.00 H new ATOM 0 HD1 PHE A 28 13.763 12.560 16.320 1.00 15.00 H new ATOM 0 HD2 PHE A 28 11.486 10.614 19.341 1.00 15.00 H new ATOM 0 HE1 PHE A 28 12.859 11.010 14.649 1.00 15.00 H new ATOM 0 HE2 PHE A 28 10.574 9.075 17.671 1.00 15.00 H new ATOM 0 HZ PHE A 28 11.262 9.268 15.318 1.00 15.00 H new ATOM 473 N TYR A 29 10.263 14.655 18.766 1.00 15.00 N ATOM 474 CA TYR A 29 8.896 14.682 19.162 1.00 15.00 C ATOM 475 C TYR A 29 7.918 14.074 18.146 1.00 15.00 C ATOM 476 O TYR A 29 7.827 12.848 18.065 1.00 15.00 O ATOM 477 CB TYR A 29 8.488 16.058 19.741 1.00 15.00 C ATOM 478 CG TYR A 29 7.122 16.112 20.379 1.00 15.00 C ATOM 479 CD1 TYR A 29 6.887 15.502 21.602 1.00 15.00 C ATOM 480 CD2 TYR A 29 6.082 16.796 19.778 1.00 15.00 C ATOM 481 CE1 TYR A 29 5.650 15.565 22.199 1.00 15.00 C ATOM 482 CE2 TYR A 29 4.843 16.866 20.368 1.00 15.00 C ATOM 483 CZ TYR A 29 4.632 16.248 21.580 1.00 15.00 C ATOM 484 OH TYR A 29 3.390 16.309 22.170 1.00 15.00 O ATOM 0 H TYR A 29 10.523 15.284 18.006 1.00 15.00 H new ATOM 0 HA TYR A 29 8.808 13.984 19.995 1.00 15.00 H new ATOM 0 HB2 TYR A 29 9.229 16.355 20.483 1.00 15.00 H new ATOM 0 HB3 TYR A 29 8.526 16.796 18.940 1.00 15.00 H new ATOM 0 HD1 TYR A 29 7.688 14.969 22.093 1.00 15.00 H new ATOM 0 HD2 TYR A 29 6.246 17.284 18.828 1.00 15.00 H new ATOM 0 HE1 TYR A 29 5.480 15.080 23.149 1.00 15.00 H new ATOM 0 HE2 TYR A 29 4.040 17.402 19.884 1.00 15.00 H new ATOM 0 HH TYR A 29 2.784 16.831 21.603 1.00 15.00 H new ATOM 494 N ARG A 30 7.174 14.894 17.403 1.00 15.00 N ATOM 495 CA ARG A 30 6.147 14.349 16.519 1.00 15.00 C ATOM 496 C ARG A 30 6.730 13.495 15.376 1.00 15.00 C ATOM 497 O ARG A 30 7.760 13.831 14.820 1.00 15.00 O ATOM 498 CB ARG A 30 5.290 15.485 15.952 1.00 15.00 C ATOM 499 CG ARG A 30 3.904 15.054 15.467 1.00 15.00 C ATOM 500 CD ARG A 30 2.945 14.720 16.641 1.00 15.00 C ATOM 501 NE ARG A 30 3.378 13.561 17.456 1.00 15.00 N ATOM 502 CZ ARG A 30 3.418 13.528 18.804 1.00 15.00 C ATOM 503 NH1 ARG A 30 2.838 14.503 19.514 1.00 15.00 N ATOM 504 NH2 ARG A 30 3.983 12.488 19.430 1.00 15.00 N ATOM 0 H ARG A 30 7.259 15.910 17.395 1.00 15.00 H new ATOM 0 HA ARG A 30 5.527 13.683 17.120 1.00 15.00 H new ATOM 0 HB2 ARG A 30 5.171 16.250 16.719 1.00 15.00 H new ATOM 0 HB3 ARG A 30 5.824 15.946 15.121 1.00 15.00 H new ATOM 0 HG2 ARG A 30 3.470 15.850 14.862 1.00 15.00 H new ATOM 0 HG3 ARG A 30 4.003 14.181 14.822 1.00 15.00 H new ATOM 0 HD2 ARG A 30 2.858 15.594 17.287 1.00 15.00 H new ATOM 0 HD3 ARG A 30 1.951 14.520 16.240 1.00 15.00 H new ATOM 0 HE ARG A 30 3.669 12.720 16.958 1.00 15.00 H new ATOM 0 HH11 ARG A 30 2.366 15.270 19.036 1.00 15.00 H new ATOM 0 HH12 ARG A 30 2.868 14.479 20.533 1.00 15.00 H new ATOM 0 HH21 ARG A 30 4.382 11.722 18.888 1.00 15.00 H new ATOM 0 HH22 ARG A 30 4.014 12.462 20.449 1.00 15.00 H new ATOM 518 N VAL A 31 6.070 12.384 15.087 1.00 15.00 N ATOM 519 CA VAL A 31 6.442 11.435 14.033 1.00 15.00 C ATOM 520 C VAL A 31 5.200 11.086 13.207 1.00 15.00 C ATOM 521 O VAL A 31 4.128 10.898 13.769 1.00 15.00 O ATOM 522 CB VAL A 31 6.957 10.097 14.672 1.00 15.00 C ATOM 523 CG1 VAL A 31 7.442 9.124 13.604 1.00 15.00 C ATOM 524 CG2 VAL A 31 8.059 10.352 15.688 1.00 15.00 C ATOM 0 H VAL A 31 5.231 12.103 15.594 1.00 15.00 H new ATOM 0 HA VAL A 31 7.217 11.890 13.416 1.00 15.00 H new ATOM 0 HB VAL A 31 6.112 9.646 15.192 1.00 15.00 H new ATOM 0 HG11 VAL A 31 7.792 8.207 14.079 1.00 15.00 H new ATOM 0 HG12 VAL A 31 6.622 8.891 12.925 1.00 15.00 H new ATOM 0 HG13 VAL A 31 8.259 9.577 13.043 1.00 15.00 H new ATOM 0 HG21 VAL A 31 8.391 9.404 16.110 1.00 15.00 H new ATOM 0 HG22 VAL A 31 8.899 10.845 15.198 1.00 15.00 H new ATOM 0 HG23 VAL A 31 7.678 10.990 16.485 1.00 15.00 H new ATOM 534 N PHE A 32 5.322 11.035 11.880 1.00 15.00 N ATOM 535 CA PHE A 32 4.255 10.572 10.983 1.00 15.00 C ATOM 536 C PHE A 32 4.933 9.858 9.827 1.00 15.00 C ATOM 537 O PHE A 32 5.673 10.474 9.107 1.00 15.00 O ATOM 538 CB PHE A 32 3.436 11.729 10.368 1.00 15.00 C ATOM 539 CG PHE A 32 2.605 12.558 11.297 1.00 15.00 C ATOM 540 CD1 PHE A 32 1.345 12.135 11.679 1.00 15.00 C ATOM 541 CD2 PHE A 32 3.064 13.772 11.754 1.00 15.00 C ATOM 542 CE1 PHE A 32 0.563 12.909 12.509 1.00 15.00 C ATOM 543 CE2 PHE A 32 2.285 14.555 12.577 1.00 15.00 C ATOM 544 CZ PHE A 32 1.032 14.122 12.957 1.00 15.00 C ATOM 0 H PHE A 32 6.171 11.316 11.390 1.00 15.00 H new ATOM 0 HA PHE A 32 3.577 9.945 11.562 1.00 15.00 H new ATOM 0 HB2 PHE A 32 4.129 12.394 9.852 1.00 15.00 H new ATOM 0 HB3 PHE A 32 2.775 11.308 9.611 1.00 15.00 H new ATOM 0 HD1 PHE A 32 0.969 11.187 11.323 1.00 15.00 H new ATOM 0 HD2 PHE A 32 4.046 14.115 11.464 1.00 15.00 H new ATOM 0 HE1 PHE A 32 -0.416 12.564 12.807 1.00 15.00 H new ATOM 0 HE2 PHE A 32 2.655 15.508 12.925 1.00 15.00 H new ATOM 0 HZ PHE A 32 0.421 14.733 13.604 1.00 15.00 H new ATOM 554 N ILE A 33 4.727 8.579 9.689 1.00 15.00 N ATOM 555 CA ILE A 33 5.256 7.815 8.546 1.00 15.00 C ATOM 556 C ILE A 33 4.136 6.946 8.014 1.00 15.00 C ATOM 557 O ILE A 33 3.227 6.631 8.784 1.00 15.00 O ATOM 558 CB ILE A 33 6.528 6.934 8.884 1.00 15.00 C ATOM 559 CG1 ILE A 33 6.274 5.835 9.972 1.00 15.00 C ATOM 560 CG2 ILE A 33 7.723 7.813 9.257 1.00 15.00 C ATOM 561 CD1 ILE A 33 6.056 6.335 11.390 1.00 15.00 C ATOM 0 H ILE A 33 4.192 8.019 10.352 1.00 15.00 H new ATOM 0 HA ILE A 33 5.602 8.530 7.800 1.00 15.00 H new ATOM 0 HB ILE A 33 6.761 6.391 7.968 1.00 15.00 H new ATOM 0 HG12 ILE A 33 5.401 5.254 9.675 1.00 15.00 H new ATOM 0 HG13 ILE A 33 7.124 5.153 9.976 1.00 15.00 H new ATOM 0 HG21 ILE A 33 8.582 7.182 9.484 1.00 15.00 H new ATOM 0 HG22 ILE A 33 7.966 8.470 8.422 1.00 15.00 H new ATOM 0 HG23 ILE A 33 7.473 8.414 10.131 1.00 15.00 H new ATOM 0 HD11 ILE A 33 5.891 5.486 12.054 1.00 15.00 H new ATOM 0 HD12 ILE A 33 6.936 6.888 11.720 1.00 15.00 H new ATOM 0 HD13 ILE A 33 5.185 6.990 11.415 1.00 15.00 H new ATOM 573 N ASN A 34 4.151 6.536 6.735 1.00 15.00 N ATOM 574 CA ASN A 34 3.058 5.722 6.260 1.00 15.00 C ATOM 575 C ASN A 34 3.529 4.491 5.525 1.00 15.00 C ATOM 576 O ASN A 34 3.435 4.424 4.295 1.00 15.00 O ATOM 577 CB ASN A 34 2.010 6.488 5.434 1.00 15.00 C ATOM 578 CG ASN A 34 1.150 7.471 6.231 1.00 15.00 C ATOM 579 OD1 ASN A 34 0.855 7.265 7.399 1.00 15.00 O ATOM 580 ND2 ASN A 34 0.711 8.530 5.594 1.00 15.00 N ATOM 0 H ASN A 34 4.877 6.750 6.052 1.00 15.00 H new ATOM 0 HA ASN A 34 2.550 5.400 7.169 1.00 15.00 H new ATOM 0 HB2 ASN A 34 2.522 7.036 4.643 1.00 15.00 H new ATOM 0 HB3 ASN A 34 1.354 5.766 4.948 1.00 15.00 H new ATOM 0 HD21 ASN A 34 0.111 9.201 6.073 1.00 15.00 H new ATOM 0 HD22 ASN A 34 0.970 8.682 4.619 1.00 15.00 H new ATOM 587 N PRO A 35 4.051 3.481 6.263 1.00 15.00 N ATOM 588 CA PRO A 35 4.457 2.219 5.691 1.00 15.00 C ATOM 589 C PRO A 35 3.213 1.375 5.539 1.00 15.00 C ATOM 590 O PRO A 35 2.928 0.457 6.330 1.00 15.00 O ATOM 591 CB PRO A 35 5.417 1.612 6.744 1.00 15.00 C ATOM 592 CG PRO A 35 5.512 2.638 7.829 1.00 15.00 C ATOM 593 CD PRO A 35 4.287 3.487 7.703 1.00 15.00 C ATOM 0 HA PRO A 35 4.941 2.295 4.717 1.00 15.00 H new ATOM 0 HB2 PRO A 35 5.033 0.667 7.128 1.00 15.00 H new ATOM 0 HB3 PRO A 35 6.396 1.405 6.311 1.00 15.00 H new ATOM 0 HG2 PRO A 35 5.560 2.165 8.810 1.00 15.00 H new ATOM 0 HG3 PRO A 35 6.415 3.238 7.720 1.00 15.00 H new ATOM 0 HD2 PRO A 35 3.445 3.070 8.255 1.00 15.00 H new ATOM 0 HD3 PRO A 35 4.450 4.495 8.084 1.00 15.00 H new ATOM 601 N TYR A 36 2.444 1.739 4.577 1.00 15.00 N ATOM 602 CA TYR A 36 1.168 1.157 4.428 1.00 15.00 C ATOM 603 C TYR A 36 0.904 0.726 3.016 1.00 15.00 C ATOM 604 O TYR A 36 1.066 -0.449 2.686 1.00 15.00 O ATOM 605 CB TYR A 36 0.104 2.144 4.921 1.00 15.00 C ATOM 606 CG TYR A 36 -1.186 1.481 5.295 1.00 15.00 C ATOM 607 CD1 TYR A 36 -1.312 0.922 6.550 1.00 15.00 C ATOM 608 CD2 TYR A 36 -2.265 1.411 4.430 1.00 15.00 C ATOM 609 CE1 TYR A 36 -2.461 0.312 6.944 1.00 15.00 C ATOM 610 CE2 TYR A 36 -3.436 0.792 4.821 1.00 15.00 C ATOM 611 CZ TYR A 36 -3.522 0.243 6.086 1.00 15.00 C ATOM 612 OH TYR A 36 -4.682 -0.371 6.503 1.00 15.00 O ATOM 0 H TYR A 36 2.682 2.443 3.878 1.00 15.00 H new ATOM 0 HA TYR A 36 1.127 0.251 5.033 1.00 15.00 H new ATOM 0 HB2 TYR A 36 0.491 2.685 5.785 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -0.087 2.882 4.142 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -0.479 0.970 7.235 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -2.190 1.843 3.443 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -2.535 -0.117 7.932 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -4.276 0.738 4.145 1.00 15.00 H new ATOM 0 HH TYR A 36 -5.346 -0.340 5.783 1.00 15.00 H new ATOM 622 N ALA A 37 0.539 1.656 2.178 1.00 15.00 N ATOM 623 CA ALA A 37 0.181 1.346 0.830 1.00 15.00 C ATOM 624 C ALA A 37 0.483 2.504 -0.077 1.00 15.00 C ATOM 625 O ALA A 37 -0.426 3.230 -0.467 1.00 15.00 O ATOM 626 CB ALA A 37 -1.285 0.945 0.732 1.00 15.00 C ATOM 0 H ALA A 37 0.483 2.647 2.413 1.00 15.00 H new ATOM 0 HA ALA A 37 0.781 0.495 0.507 1.00 15.00 H new ATOM 0 HB1 ALA A 37 -1.531 0.714 -0.305 1.00 15.00 H new ATOM 0 HB2 ALA A 37 -1.464 0.066 1.351 1.00 15.00 H new ATOM 0 HB3 ALA A 37 -1.911 1.767 1.079 1.00 15.00 H new ATOM 632 N LYS A 38 1.782 2.786 -0.235 1.00 15.00 N ATOM 633 CA LYS A 38 2.325 3.767 -1.142 1.00 15.00 C ATOM 634 C LYS A 38 1.978 5.152 -0.680 1.00 15.00 C ATOM 635 O LYS A 38 1.022 5.769 -1.164 1.00 15.00 O ATOM 636 CB LYS A 38 2.052 3.513 -2.684 1.00 15.00 C ATOM 637 CG LYS A 38 0.631 3.728 -3.200 1.00 15.00 C ATOM 638 CD LYS A 38 0.495 3.347 -4.653 1.00 15.00 C ATOM 639 CE LYS A 38 -0.813 3.861 -5.235 1.00 15.00 C ATOM 640 NZ LYS A 38 -1.999 3.439 -4.465 1.00 15.00 N ATOM 0 H LYS A 38 2.506 2.305 0.299 1.00 15.00 H new ATOM 0 HA LYS A 38 3.408 3.652 -1.093 1.00 15.00 H new ATOM 0 HB2 LYS A 38 2.717 4.162 -3.253 1.00 15.00 H new ATOM 0 HB3 LYS A 38 2.339 2.486 -2.910 1.00 15.00 H new ATOM 0 HG2 LYS A 38 -0.065 3.138 -2.604 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.353 4.774 -3.072 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.333 3.754 -5.219 1.00 15.00 H new ATOM 0 HD3 LYS A 38 0.540 2.263 -4.753 1.00 15.00 H new ATOM 0 HE2 LYS A 38 -0.782 4.950 -5.274 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.910 3.507 -6.262 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -2.860 3.658 -5.006 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -1.952 2.415 -4.288 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 -2.022 3.946 -3.557 1.00 15.00 H new ATOM 654 N VAL A 39 2.790 5.665 0.263 1.00 15.00 N ATOM 655 CA VAL A 39 2.490 6.968 0.832 1.00 15.00 C ATOM 656 C VAL A 39 3.500 7.209 1.964 1.00 15.00 C ATOM 657 O VAL A 39 4.453 6.447 2.083 1.00 15.00 O ATOM 658 CB VAL A 39 0.955 7.156 1.223 1.00 15.00 C ATOM 659 CG1 VAL A 39 0.509 6.281 2.371 1.00 15.00 C ATOM 660 CG2 VAL A 39 0.504 8.617 1.385 1.00 15.00 C ATOM 0 H VAL A 39 3.626 5.209 0.629 1.00 15.00 H new ATOM 0 HA VAL A 39 2.614 7.753 0.086 1.00 15.00 H new ATOM 0 HB VAL A 39 0.424 6.796 0.342 1.00 15.00 H new ATOM 0 HG11 VAL A 39 -0.545 6.464 2.580 1.00 15.00 H new ATOM 0 HG12 VAL A 39 0.650 5.233 2.106 1.00 15.00 H new ATOM 0 HG13 VAL A 39 1.100 6.514 3.257 1.00 15.00 H new ATOM 0 HG21 VAL A 39 -0.553 8.644 1.651 1.00 15.00 H new ATOM 0 HG22 VAL A 39 1.089 9.093 2.172 1.00 15.00 H new ATOM 0 HG23 VAL A 39 0.656 9.151 0.447 1.00 15.00 H new ATOM 670 N ALA A 40 3.250 8.246 2.713 1.00 15.00 N ATOM 671 CA ALA A 40 3.999 8.815 3.813 1.00 15.00 C ATOM 672 C ALA A 40 3.761 10.280 3.700 1.00 15.00 C ATOM 673 O ALA A 40 3.142 10.731 2.729 1.00 15.00 O ATOM 674 CB ALA A 40 5.499 8.520 3.837 1.00 15.00 C ATOM 0 H ALA A 40 2.402 8.789 2.548 1.00 15.00 H new ATOM 0 HA ALA A 40 3.655 8.363 4.743 1.00 15.00 H new ATOM 0 HB1 ALA A 40 5.950 8.999 4.706 1.00 15.00 H new ATOM 0 HB2 ALA A 40 5.657 7.443 3.893 1.00 15.00 H new ATOM 0 HB3 ALA A 40 5.961 8.908 2.929 1.00 15.00 H new ATOM 680 N GLU A 41 4.295 10.991 4.628 1.00 15.00 N ATOM 681 CA GLU A 41 4.086 12.410 4.848 1.00 15.00 C ATOM 682 C GLU A 41 4.633 12.651 6.216 1.00 15.00 C ATOM 683 O GLU A 41 3.965 12.404 7.221 1.00 15.00 O ATOM 684 CB GLU A 41 2.589 12.842 4.731 1.00 15.00 C ATOM 685 CG GLU A 41 1.601 11.968 5.509 1.00 15.00 C ATOM 686 CD GLU A 41 0.196 12.426 5.372 1.00 15.00 C ATOM 687 OE1 GLU A 41 -0.501 11.989 4.433 1.00 15.00 O ATOM 688 OE2 GLU A 41 -0.256 13.229 6.215 1.00 15.00 O ATOM 0 H GLU A 41 4.936 10.585 5.310 1.00 15.00 H new ATOM 0 HA GLU A 41 4.582 13.008 4.084 1.00 15.00 H new ATOM 0 HB2 GLU A 41 2.495 13.870 5.080 1.00 15.00 H new ATOM 0 HB3 GLU A 41 2.306 12.836 3.678 1.00 15.00 H new ATOM 0 HG2 GLU A 41 1.679 10.939 5.158 1.00 15.00 H new ATOM 0 HG3 GLU A 41 1.877 11.967 6.564 1.00 15.00 H new ATOM 695 N VAL A 42 5.827 13.064 6.297 1.00 15.00 N ATOM 696 CA VAL A 42 6.473 13.051 7.556 1.00 15.00 C ATOM 697 C VAL A 42 6.653 14.452 8.021 1.00 15.00 C ATOM 698 O VAL A 42 7.060 15.328 7.268 1.00 15.00 O ATOM 699 CB VAL A 42 7.825 12.287 7.539 1.00 15.00 C ATOM 700 CG1 VAL A 42 8.420 12.124 8.934 1.00 15.00 C ATOM 701 CG2 VAL A 42 7.727 10.944 6.811 1.00 15.00 C ATOM 0 H VAL A 42 6.384 13.416 5.518 1.00 15.00 H new ATOM 0 HA VAL A 42 5.838 12.506 8.254 1.00 15.00 H new ATOM 0 HB VAL A 42 8.514 12.910 6.969 1.00 15.00 H new ATOM 0 HG11 VAL A 42 9.364 11.584 8.866 1.00 15.00 H new ATOM 0 HG12 VAL A 42 8.595 13.107 9.372 1.00 15.00 H new ATOM 0 HG13 VAL A 42 7.726 11.565 9.562 1.00 15.00 H new ATOM 0 HG21 VAL A 42 8.698 10.450 6.827 1.00 15.00 H new ATOM 0 HG22 VAL A 42 6.990 10.313 7.309 1.00 15.00 H new ATOM 0 HG23 VAL A 42 7.422 11.112 5.778 1.00 15.00 H new ATOM 711 N VAL A 43 6.344 14.624 9.281 1.00 15.00 N ATOM 712 CA VAL A 43 6.478 15.863 9.957 1.00 15.00 C ATOM 713 C VAL A 43 7.105 15.439 11.253 1.00 15.00 C ATOM 714 O VAL A 43 6.426 14.856 12.095 1.00 15.00 O ATOM 715 CB VAL A 43 5.111 16.590 10.205 1.00 15.00 C ATOM 716 CG1 VAL A 43 5.305 17.891 10.970 1.00 15.00 C ATOM 717 CG2 VAL A 43 4.373 16.854 8.897 1.00 15.00 C ATOM 0 H VAL A 43 5.982 13.875 9.871 1.00 15.00 H new ATOM 0 HA VAL A 43 7.054 16.590 9.385 1.00 15.00 H new ATOM 0 HB VAL A 43 4.501 15.922 10.813 1.00 15.00 H new ATOM 0 HG11 VAL A 43 4.338 18.370 11.125 1.00 15.00 H new ATOM 0 HG12 VAL A 43 5.765 17.680 11.936 1.00 15.00 H new ATOM 0 HG13 VAL A 43 5.952 18.556 10.398 1.00 15.00 H new ATOM 0 HG21 VAL A 43 3.430 17.359 9.107 1.00 15.00 H new ATOM 0 HG22 VAL A 43 4.987 17.484 8.254 1.00 15.00 H new ATOM 0 HG23 VAL A 43 4.174 15.908 8.394 1.00 15.00 H new ATOM 727 N ILE A 44 8.386 15.626 11.395 1.00 15.00 N ATOM 728 CA ILE A 44 9.066 15.087 12.549 1.00 15.00 C ATOM 729 C ILE A 44 9.876 16.167 13.245 1.00 15.00 C ATOM 730 O ILE A 44 10.464 17.031 12.588 1.00 15.00 O ATOM 731 CB ILE A 44 9.869 13.777 12.163 1.00 15.00 C ATOM 732 CG1 ILE A 44 10.664 13.121 13.331 1.00 15.00 C ATOM 733 CG2 ILE A 44 10.792 14.037 10.963 1.00 15.00 C ATOM 734 CD1 ILE A 44 12.031 13.729 13.620 1.00 15.00 C ATOM 0 H ILE A 44 8.977 16.138 10.741 1.00 15.00 H new ATOM 0 HA ILE A 44 8.341 14.759 13.294 1.00 15.00 H new ATOM 0 HB ILE A 44 9.104 13.049 11.894 1.00 15.00 H new ATOM 0 HG12 ILE A 44 10.060 13.182 14.237 1.00 15.00 H new ATOM 0 HG13 ILE A 44 10.797 12.063 13.107 1.00 15.00 H new ATOM 0 HG21 ILE A 44 11.333 13.124 10.716 1.00 15.00 H new ATOM 0 HG22 ILE A 44 10.195 14.348 10.106 1.00 15.00 H new ATOM 0 HG23 ILE A 44 11.503 14.824 11.215 1.00 15.00 H new ATOM 0 HD11 ILE A 44 12.497 13.198 14.450 1.00 15.00 H new ATOM 0 HD12 ILE A 44 12.661 13.644 12.735 1.00 15.00 H new ATOM 0 HD13 ILE A 44 11.913 14.780 13.882 1.00 15.00 H new ATOM 746 N ASP A 45 9.799 16.170 14.567 1.00 15.00 N ATOM 747 CA ASP A 45 10.570 17.091 15.389 1.00 15.00 C ATOM 748 C ASP A 45 11.880 16.432 15.741 1.00 15.00 C ATOM 749 O ASP A 45 11.900 15.431 16.441 1.00 15.00 O ATOM 750 CB ASP A 45 9.838 17.479 16.685 1.00 15.00 C ATOM 751 CG ASP A 45 8.521 18.196 16.473 1.00 15.00 C ATOM 752 OD1 ASP A 45 8.526 19.351 15.980 1.00 15.00 O ATOM 753 OD2 ASP A 45 7.471 17.641 16.818 1.00 15.00 O ATOM 0 H ASP A 45 9.202 15.536 15.099 1.00 15.00 H new ATOM 0 HA ASP A 45 10.723 18.006 14.817 1.00 15.00 H new ATOM 0 HB2 ASP A 45 9.656 16.576 17.268 1.00 15.00 H new ATOM 0 HB3 ASP A 45 10.492 18.116 17.280 1.00 15.00 H new ATOM 758 N ASP A 46 12.950 17.030 15.309 1.00 15.00 N ATOM 759 CA ASP A 46 14.329 16.551 15.387 1.00 15.00 C ATOM 760 C ASP A 46 15.206 17.704 15.831 1.00 15.00 C ATOM 761 O ASP A 46 16.419 17.600 15.867 1.00 15.00 O ATOM 762 CB ASP A 46 14.698 16.326 13.887 1.00 15.00 C ATOM 763 CG ASP A 46 16.121 15.791 13.633 1.00 15.00 C ATOM 764 OD1 ASP A 46 16.341 14.593 13.728 1.00 15.00 O ATOM 765 OD2 ASP A 46 16.995 16.611 13.229 1.00 15.00 O ATOM 0 H ASP A 46 12.894 17.941 14.853 1.00 15.00 H new ATOM 0 HA ASP A 46 14.446 15.690 16.045 1.00 15.00 H new ATOM 0 HB2 ASP A 46 13.982 15.627 13.454 1.00 15.00 H new ATOM 0 HB3 ASP A 46 14.582 17.271 13.356 1.00 15.00 H new ATOM 770 N SER A 47 14.514 18.791 16.261 1.00 15.00 N ATOM 771 CA SER A 47 15.064 20.147 16.427 1.00 15.00 C ATOM 772 C SER A 47 16.566 20.253 16.737 1.00 15.00 C ATOM 773 O SER A 47 17.254 20.991 16.018 1.00 15.00 O ATOM 774 CB SER A 47 14.156 21.011 17.302 1.00 15.00 C ATOM 775 OG SER A 47 13.525 20.217 18.317 1.00 15.00 O ATOM 0 H SER A 47 13.526 18.738 16.508 1.00 15.00 H new ATOM 0 HA SER A 47 15.050 20.580 15.427 1.00 15.00 H new ATOM 0 HB2 SER A 47 14.739 21.806 17.766 1.00 15.00 H new ATOM 0 HB3 SER A 47 13.397 21.491 16.684 1.00 15.00 H new ATOM 0 HG SER A 47 14.122 20.140 19.090 1.00 15.00 H new ATOM 781 N LYS A 48 17.031 19.561 17.792 1.00 15.00 N ATOM 782 CA LYS A 48 18.475 19.411 18.141 1.00 15.00 C ATOM 783 C LYS A 48 19.490 19.771 16.999 1.00 15.00 C ATOM 784 O LYS A 48 19.992 20.898 16.974 1.00 15.00 O ATOM 785 CB LYS A 48 18.759 17.986 18.650 1.00 15.00 C ATOM 786 CG LYS A 48 20.167 17.777 19.196 1.00 15.00 C ATOM 787 CD LYS A 48 20.400 16.324 19.558 1.00 15.00 C ATOM 788 CE LYS A 48 21.761 16.100 20.207 1.00 15.00 C ATOM 789 NZ LYS A 48 21.864 16.745 21.529 1.00 15.00 N ATOM 0 H LYS A 48 16.412 19.078 18.444 1.00 15.00 H new ATOM 0 HA LYS A 48 18.644 20.150 18.924 1.00 15.00 H new ATOM 0 HB2 LYS A 48 18.040 17.744 19.433 1.00 15.00 H new ATOM 0 HB3 LYS A 48 18.591 17.283 17.834 1.00 15.00 H new ATOM 0 HG2 LYS A 48 20.899 18.092 18.453 1.00 15.00 H new ATOM 0 HG3 LYS A 48 20.316 18.403 20.076 1.00 15.00 H new ATOM 0 HD2 LYS A 48 19.616 15.991 20.239 1.00 15.00 H new ATOM 0 HD3 LYS A 48 20.323 15.711 18.660 1.00 15.00 H new ATOM 0 HE2 LYS A 48 21.939 15.030 20.313 1.00 15.00 H new ATOM 0 HE3 LYS A 48 22.541 16.490 19.553 1.00 15.00 H new ATOM 0 HZ1 LYS A 48 22.602 16.272 22.089 1.00 15.00 H new ATOM 0 HZ2 LYS A 48 22.111 17.748 21.408 1.00 15.00 H new ATOM 0 HZ3 LYS A 48 20.952 16.670 22.024 1.00 15.00 H new ATOM 803 N VAL A 49 19.818 18.847 16.065 1.00 15.00 N ATOM 804 CA VAL A 49 20.813 19.247 15.051 1.00 15.00 C ATOM 805 C VAL A 49 20.375 19.185 13.535 1.00 15.00 C ATOM 806 O VAL A 49 20.920 19.941 12.714 1.00 15.00 O ATOM 807 CB VAL A 49 22.138 18.463 15.272 1.00 15.00 C ATOM 808 CG1 VAL A 49 22.016 16.993 14.892 1.00 15.00 C ATOM 809 CG2 VAL A 49 23.319 19.138 14.599 1.00 15.00 C ATOM 0 H VAL A 49 19.445 17.900 15.993 1.00 15.00 H new ATOM 0 HA VAL A 49 20.944 20.315 15.223 1.00 15.00 H new ATOM 0 HB VAL A 49 22.335 18.484 16.344 1.00 15.00 H new ATOM 0 HG11 VAL A 49 22.968 16.492 15.065 1.00 15.00 H new ATOM 0 HG12 VAL A 49 21.243 16.523 15.500 1.00 15.00 H new ATOM 0 HG13 VAL A 49 21.749 16.910 13.838 1.00 15.00 H new ATOM 0 HG21 VAL A 49 24.222 18.556 14.780 1.00 15.00 H new ATOM 0 HG22 VAL A 49 23.138 19.203 13.526 1.00 15.00 H new ATOM 0 HG23 VAL A 49 23.446 20.141 15.007 1.00 15.00 H new ATOM 819 N ASN A 50 19.431 18.315 13.156 1.00 15.00 N ATOM 820 CA ASN A 50 19.017 18.141 11.711 1.00 15.00 C ATOM 821 C ASN A 50 20.051 17.505 10.770 1.00 15.00 C ATOM 822 O ASN A 50 19.718 16.560 10.074 1.00 15.00 O ATOM 823 CB ASN A 50 18.363 19.403 11.066 1.00 15.00 C ATOM 824 CG ASN A 50 18.555 19.491 9.523 1.00 15.00 C ATOM 825 OD1 ASN A 50 17.795 18.753 8.741 1.00 15.00 O flip ATOM 826 ND2 ASN A 50 19.466 20.170 9.054 1.00 15.00 N flip ATOM 0 H ASN A 50 18.927 17.712 13.807 1.00 15.00 H new ATOM 0 HA ASN A 50 18.236 17.388 11.816 1.00 15.00 H new ATOM 0 HB2 ASN A 50 17.296 19.403 11.291 1.00 15.00 H new ATOM 0 HB3 ASN A 50 18.786 20.296 11.527 1.00 15.00 H new ATOM 0 HD21 ASN A 50 20.048 20.738 9.670 1.00 15.00 H new ATOM 0 HD22 ASN A 50 19.640 20.166 8.049 1.00 15.00 H new ATOM 833 N ILE A 51 21.297 17.985 10.774 1.00 15.00 N ATOM 834 CA ILE A 51 22.344 17.536 9.810 1.00 15.00 C ATOM 835 C ILE A 51 22.556 15.999 9.816 1.00 15.00 C ATOM 836 O ILE A 51 22.970 15.406 8.813 1.00 15.00 O ATOM 837 CB ILE A 51 23.703 18.275 10.084 1.00 15.00 C ATOM 838 CG1 ILE A 51 24.692 18.050 8.934 1.00 15.00 C ATOM 839 CG2 ILE A 51 24.318 17.820 11.405 1.00 15.00 C ATOM 840 CD1 ILE A 51 26.007 18.788 9.086 1.00 15.00 C ATOM 0 H ILE A 51 21.622 18.691 11.434 1.00 15.00 H new ATOM 0 HA ILE A 51 21.982 17.800 8.816 1.00 15.00 H new ATOM 0 HB ILE A 51 23.490 19.342 10.153 1.00 15.00 H new ATOM 0 HG12 ILE A 51 24.896 16.983 8.850 1.00 15.00 H new ATOM 0 HG13 ILE A 51 24.222 18.359 8.001 1.00 15.00 H new ATOM 0 HG21 ILE A 51 25.258 18.347 11.570 1.00 15.00 H new ATOM 0 HG22 ILE A 51 23.630 18.040 12.221 1.00 15.00 H new ATOM 0 HG23 ILE A 51 24.506 16.747 11.368 1.00 15.00 H new ATOM 0 HD11 ILE A 51 26.646 18.573 8.230 1.00 15.00 H new ATOM 0 HD12 ILE A 51 25.819 19.860 9.138 1.00 15.00 H new ATOM 0 HD13 ILE A 51 26.503 18.462 10.000 1.00 15.00 H new ATOM 852 N GLU A 52 22.229 15.372 10.923 1.00 15.00 N ATOM 853 CA GLU A 52 22.400 13.954 11.056 1.00 15.00 C ATOM 854 C GLU A 52 21.377 13.124 10.254 1.00 15.00 C ATOM 855 O GLU A 52 21.566 11.923 10.049 1.00 15.00 O ATOM 856 CB GLU A 52 22.644 13.515 12.504 1.00 15.00 C ATOM 857 CG GLU A 52 23.992 14.049 13.000 1.00 15.00 C ATOM 858 CD GLU A 52 24.372 13.657 14.404 1.00 15.00 C ATOM 859 OE1 GLU A 52 24.865 12.524 14.613 1.00 15.00 O ATOM 860 OE2 GLU A 52 24.290 14.511 15.311 1.00 15.00 O ATOM 0 H GLU A 52 21.841 15.831 11.747 1.00 15.00 H new ATOM 0 HA GLU A 52 23.337 13.708 10.557 1.00 15.00 H new ATOM 0 HB2 GLU A 52 21.842 13.883 13.143 1.00 15.00 H new ATOM 0 HB3 GLU A 52 22.630 12.427 12.569 1.00 15.00 H new ATOM 0 HG2 GLU A 52 24.771 13.702 12.322 1.00 15.00 H new ATOM 0 HG3 GLU A 52 23.976 15.137 12.938 1.00 15.00 H new ATOM 867 N GLU A 53 20.271 13.762 9.813 1.00 15.00 N ATOM 868 CA GLU A 53 19.286 13.081 8.945 1.00 15.00 C ATOM 869 C GLU A 53 19.926 12.602 7.653 1.00 15.00 C ATOM 870 O GLU A 53 19.615 11.518 7.167 1.00 15.00 O ATOM 871 CB GLU A 53 18.125 13.990 8.564 1.00 15.00 C ATOM 872 CG GLU A 53 17.240 14.453 9.689 1.00 15.00 C ATOM 873 CD GLU A 53 16.070 15.242 9.159 1.00 15.00 C ATOM 874 OE1 GLU A 53 16.227 16.465 8.895 1.00 15.00 O ATOM 875 OE2 GLU A 53 14.976 14.671 9.013 1.00 15.00 O ATOM 0 H GLU A 53 20.040 14.730 10.039 1.00 15.00 H new ATOM 0 HA GLU A 53 18.917 12.238 9.529 1.00 15.00 H new ATOM 0 HB2 GLU A 53 18.530 14.870 8.064 1.00 15.00 H new ATOM 0 HB3 GLU A 53 17.506 13.466 7.836 1.00 15.00 H new ATOM 0 HG2 GLU A 53 16.879 13.592 10.252 1.00 15.00 H new ATOM 0 HG3 GLU A 53 17.815 15.068 10.381 1.00 15.00 H new ATOM 882 N LEU A 54 20.840 13.407 7.115 1.00 15.00 N ATOM 883 CA LEU A 54 21.555 13.063 5.883 1.00 15.00 C ATOM 884 C LEU A 54 22.378 11.807 6.114 1.00 15.00 C ATOM 885 O LEU A 54 22.606 11.008 5.214 1.00 15.00 O ATOM 886 CB LEU A 54 22.453 14.214 5.395 1.00 15.00 C ATOM 887 CG LEU A 54 23.145 13.982 4.035 1.00 15.00 C ATOM 888 CD1 LEU A 54 22.123 13.891 2.926 1.00 15.00 C ATOM 889 CD2 LEU A 54 24.153 15.072 3.723 1.00 15.00 C ATOM 0 H LEU A 54 21.105 14.307 7.514 1.00 15.00 H new ATOM 0 HA LEU A 54 20.818 12.883 5.101 1.00 15.00 H new ATOM 0 HB2 LEU A 54 21.850 15.119 5.327 1.00 15.00 H new ATOM 0 HB3 LEU A 54 23.220 14.398 6.147 1.00 15.00 H new ATOM 0 HG LEU A 54 23.683 13.037 4.103 1.00 15.00 H new ATOM 0 HD11 LEU A 54 22.631 13.727 1.976 1.00 15.00 H new ATOM 0 HD12 LEU A 54 21.445 13.060 3.123 1.00 15.00 H new ATOM 0 HD13 LEU A 54 21.554 14.820 2.878 1.00 15.00 H new ATOM 0 HD21 LEU A 54 24.618 14.872 2.758 1.00 15.00 H new ATOM 0 HD22 LEU A 54 23.647 16.037 3.689 1.00 15.00 H new ATOM 0 HD23 LEU A 54 24.919 15.091 4.498 1.00 15.00 H new ATOM 901 N LYS A 55 22.763 11.636 7.350 1.00 15.00 N ATOM 902 CA LYS A 55 23.604 10.559 7.763 1.00 15.00 C ATOM 903 C LYS A 55 22.834 9.242 7.830 1.00 15.00 C ATOM 904 O LYS A 55 23.140 8.334 7.049 1.00 15.00 O ATOM 905 CB LYS A 55 24.334 10.909 9.085 1.00 15.00 C ATOM 906 CG LYS A 55 25.119 9.788 9.802 1.00 15.00 C ATOM 907 CD LYS A 55 26.256 9.190 8.985 1.00 15.00 C ATOM 908 CE LYS A 55 25.890 7.811 8.442 1.00 15.00 C ATOM 909 NZ LYS A 55 25.560 6.833 9.523 1.00 15.00 N ATOM 0 H LYS A 55 22.491 12.259 8.111 1.00 15.00 H new ATOM 0 HA LYS A 55 24.377 10.413 7.009 1.00 15.00 H new ATOM 0 HB2 LYS A 55 25.029 11.722 8.877 1.00 15.00 H new ATOM 0 HB3 LYS A 55 23.592 11.295 9.783 1.00 15.00 H new ATOM 0 HG2 LYS A 55 25.527 10.185 10.732 1.00 15.00 H new ATOM 0 HG3 LYS A 55 24.425 8.992 10.072 1.00 15.00 H new ATOM 0 HD2 LYS A 55 26.499 9.855 8.157 1.00 15.00 H new ATOM 0 HD3 LYS A 55 27.149 9.113 9.605 1.00 15.00 H new ATOM 0 HE2 LYS A 55 25.037 7.905 7.770 1.00 15.00 H new ATOM 0 HE3 LYS A 55 26.721 7.426 7.851 1.00 15.00 H new ATOM 0 HZ1 LYS A 55 25.602 5.866 9.141 1.00 15.00 H new ATOM 0 HZ2 LYS A 55 26.246 6.929 10.299 1.00 15.00 H new ATOM 0 HZ3 LYS A 55 24.602 7.022 9.882 1.00 15.00 H new ATOM 923 N GLU A 56 21.822 9.108 8.687 1.00 15.00 N ATOM 924 CA GLU A 56 21.259 7.783 8.870 1.00 15.00 C ATOM 925 C GLU A 56 20.383 7.304 7.719 1.00 15.00 C ATOM 926 O GLU A 56 20.618 6.244 7.127 1.00 15.00 O ATOM 927 CB GLU A 56 20.474 7.732 10.178 1.00 15.00 C ATOM 928 CG GLU A 56 21.364 7.898 11.394 1.00 15.00 C ATOM 929 CD GLU A 56 22.494 6.887 11.394 1.00 15.00 C ATOM 930 OE1 GLU A 56 22.224 5.683 11.403 1.00 15.00 O ATOM 931 OE2 GLU A 56 23.675 7.298 11.362 1.00 15.00 O ATOM 0 H GLU A 56 21.399 9.857 9.235 1.00 15.00 H new ATOM 0 HA GLU A 56 22.107 7.099 8.900 1.00 15.00 H new ATOM 0 HB2 GLU A 56 19.718 8.517 10.175 1.00 15.00 H new ATOM 0 HB3 GLU A 56 19.946 6.781 10.245 1.00 15.00 H new ATOM 0 HG2 GLU A 56 21.776 8.907 11.410 1.00 15.00 H new ATOM 0 HG3 GLU A 56 20.770 7.782 12.300 1.00 15.00 H new ATOM 938 N LYS A 57 19.361 8.097 7.421 1.00 15.00 N ATOM 939 CA LYS A 57 18.400 7.769 6.416 1.00 15.00 C ATOM 940 C LYS A 57 18.807 7.977 4.961 1.00 15.00 C ATOM 941 O LYS A 57 19.610 7.201 4.441 1.00 15.00 O ATOM 942 CB LYS A 57 17.013 8.393 6.766 1.00 15.00 C ATOM 943 CG LYS A 57 16.998 9.862 7.154 1.00 15.00 C ATOM 944 CD LYS A 57 15.615 10.264 7.629 1.00 15.00 C ATOM 945 CE LYS A 57 15.582 11.694 8.099 1.00 15.00 C ATOM 946 NZ LYS A 57 14.278 12.088 8.676 1.00 15.00 N ATOM 0 H LYS A 57 19.189 8.990 7.883 1.00 15.00 H new ATOM 0 HA LYS A 57 18.328 6.682 6.453 1.00 15.00 H new ATOM 0 HB2 LYS A 57 16.356 8.263 5.906 1.00 15.00 H new ATOM 0 HB3 LYS A 57 16.581 7.821 7.587 1.00 15.00 H new ATOM 0 HG2 LYS A 57 17.729 10.045 7.942 1.00 15.00 H new ATOM 0 HG3 LYS A 57 17.290 10.474 6.301 1.00 15.00 H new ATOM 0 HD2 LYS A 57 14.899 10.131 6.818 1.00 15.00 H new ATOM 0 HD3 LYS A 57 15.304 9.607 8.441 1.00 15.00 H new ATOM 0 HE2 LYS A 57 16.362 11.842 8.846 1.00 15.00 H new ATOM 0 HE3 LYS A 57 15.814 12.351 7.261 1.00 15.00 H new ATOM 0 HZ1 LYS A 57 14.248 13.121 8.792 1.00 15.00 H new ATOM 0 HZ2 LYS A 57 13.512 11.789 8.039 1.00 15.00 H new ATOM 0 HZ3 LYS A 57 14.156 11.632 9.603 1.00 15.00 H new ATOM 960 N LEU A 58 18.286 9.049 4.319 1.00 15.00 N ATOM 961 CA LEU A 58 18.491 9.349 2.878 1.00 15.00 C ATOM 962 C LEU A 58 18.100 8.078 2.071 1.00 15.00 C ATOM 963 O LEU A 58 18.688 7.771 1.045 1.00 15.00 O ATOM 964 CB LEU A 58 19.982 9.720 2.616 1.00 15.00 C ATOM 965 CG LEU A 58 20.315 10.760 1.500 1.00 15.00 C ATOM 966 CD1 LEU A 58 21.812 10.824 1.271 1.00 15.00 C ATOM 967 CD2 LEU A 58 19.586 10.502 0.184 1.00 15.00 C ATOM 0 H LEU A 58 17.704 9.740 4.792 1.00 15.00 H new ATOM 0 HA LEU A 58 17.876 10.195 2.572 1.00 15.00 H new ATOM 0 HB2 LEU A 58 20.398 10.095 3.551 1.00 15.00 H new ATOM 0 HB3 LEU A 58 20.514 8.799 2.378 1.00 15.00 H new ATOM 0 HG LEU A 58 19.955 11.723 1.862 1.00 15.00 H new ATOM 0 HD11 LEU A 58 22.030 11.553 0.490 1.00 15.00 H new ATOM 0 HD12 LEU A 58 22.309 11.122 2.194 1.00 15.00 H new ATOM 0 HD13 LEU A 58 22.175 9.843 0.963 1.00 15.00 H new ATOM 0 HD21 LEU A 58 19.867 11.264 -0.543 1.00 15.00 H new ATOM 0 HD22 LEU A 58 19.860 9.518 -0.197 1.00 15.00 H new ATOM 0 HD23 LEU A 58 18.510 10.539 0.351 1.00 15.00 H new ATOM 979 N LYS A 59 17.078 7.350 2.539 1.00 15.00 N ATOM 980 CA LYS A 59 16.783 6.060 1.936 1.00 15.00 C ATOM 981 C LYS A 59 16.089 6.240 0.584 1.00 15.00 C ATOM 982 O LYS A 59 16.541 5.715 -0.409 1.00 15.00 O ATOM 983 CB LYS A 59 15.977 5.156 2.884 1.00 15.00 C ATOM 984 CG LYS A 59 16.646 4.914 4.243 1.00 15.00 C ATOM 985 CD LYS A 59 18.005 4.235 4.103 1.00 15.00 C ATOM 986 CE LYS A 59 18.642 3.960 5.460 1.00 15.00 C ATOM 987 NZ LYS A 59 19.979 3.341 5.327 1.00 15.00 N ATOM 0 H LYS A 59 16.465 7.626 3.306 1.00 15.00 H new ATOM 0 HA LYS A 59 17.730 5.551 1.756 1.00 15.00 H new ATOM 0 HB2 LYS A 59 14.997 5.604 3.049 1.00 15.00 H new ATOM 0 HB3 LYS A 59 15.811 4.195 2.397 1.00 15.00 H new ATOM 0 HG2 LYS A 59 16.769 5.866 4.760 1.00 15.00 H new ATOM 0 HG3 LYS A 59 15.995 4.296 4.862 1.00 15.00 H new ATOM 0 HD2 LYS A 59 17.889 3.298 3.559 1.00 15.00 H new ATOM 0 HD3 LYS A 59 18.668 4.867 3.511 1.00 15.00 H new ATOM 0 HE2 LYS A 59 18.728 4.893 6.016 1.00 15.00 H new ATOM 0 HE3 LYS A 59 17.993 3.302 6.039 1.00 15.00 H new ATOM 0 HZ1 LYS A 59 20.378 3.170 6.272 1.00 15.00 H new ATOM 0 HZ2 LYS A 59 19.894 2.438 4.818 1.00 15.00 H new ATOM 0 HZ3 LYS A 59 20.606 3.979 4.797 1.00 15.00 H new ATOM 1001 N GLY A 60 15.054 7.097 0.581 1.00 15.00 N ATOM 1002 CA GLY A 60 14.240 7.400 -0.613 1.00 15.00 C ATOM 1003 C GLY A 60 13.799 6.188 -1.442 1.00 15.00 C ATOM 1004 O GLY A 60 14.477 5.815 -2.401 1.00 15.00 O ATOM 0 H GLY A 60 14.755 7.604 1.414 1.00 15.00 H new ATOM 0 HA2 GLY A 60 13.350 7.943 -0.295 1.00 15.00 H new ATOM 0 HA3 GLY A 60 14.809 8.070 -1.257 1.00 15.00 H new ATOM 1008 N GLU A 61 12.636 5.616 -1.142 1.00 15.00 N ATOM 1009 CA GLU A 61 12.211 4.408 -1.818 1.00 15.00 C ATOM 1010 C GLU A 61 10.940 4.631 -2.592 1.00 15.00 C ATOM 1011 O GLU A 61 10.207 5.605 -2.309 1.00 15.00 O ATOM 1012 CB GLU A 61 12.016 3.276 -0.799 1.00 15.00 C ATOM 1013 CG GLU A 61 13.308 2.780 -0.175 1.00 15.00 C ATOM 1014 CD GLU A 61 14.210 2.133 -1.201 1.00 15.00 C ATOM 1015 OE1 GLU A 61 13.912 1.002 -1.639 1.00 15.00 O ATOM 1016 OE2 GLU A 61 15.234 2.720 -1.591 1.00 15.00 O ATOM 0 H GLU A 61 11.983 5.969 -0.443 1.00 15.00 H new ATOM 0 HA GLU A 61 12.990 4.126 -2.526 1.00 15.00 H new ATOM 0 HB2 GLU A 61 11.352 3.623 -0.008 1.00 15.00 H new ATOM 0 HB3 GLU A 61 11.517 2.440 -1.290 1.00 15.00 H new ATOM 0 HG2 GLU A 61 13.830 3.614 0.294 1.00 15.00 H new ATOM 0 HG3 GLU A 61 13.080 2.063 0.613 1.00 15.00 H new ATOM 1023 N VAL A 62 10.762 3.799 -3.666 1.00 15.00 N ATOM 1024 CA VAL A 62 9.516 3.693 -4.392 1.00 15.00 C ATOM 1025 C VAL A 62 9.321 4.837 -5.410 1.00 15.00 C ATOM 1026 O VAL A 62 8.213 5.168 -5.822 1.00 15.00 O ATOM 1027 CB VAL A 62 8.329 3.759 -3.253 1.00 15.00 C ATOM 1028 CG1 VAL A 62 6.919 3.652 -3.850 1.00 15.00 C ATOM 1029 CG2 VAL A 62 8.488 2.545 -2.325 1.00 15.00 C ATOM 0 H VAL A 62 11.499 3.194 -4.029 1.00 15.00 H new ATOM 0 HA VAL A 62 9.500 2.769 -4.970 1.00 15.00 H new ATOM 0 HB VAL A 62 8.429 4.718 -2.745 1.00 15.00 H new ATOM 0 HG11 VAL A 62 6.180 3.702 -3.050 1.00 15.00 H new ATOM 0 HG12 VAL A 62 6.755 4.474 -4.547 1.00 15.00 H new ATOM 0 HG13 VAL A 62 6.818 2.704 -4.378 1.00 15.00 H new ATOM 0 HG21 VAL A 62 7.711 2.567 -1.561 1.00 15.00 H new ATOM 0 HG22 VAL A 62 8.398 1.628 -2.907 1.00 15.00 H new ATOM 0 HG23 VAL A 62 9.467 2.578 -1.848 1.00 15.00 H new ATOM 1039 N ILE A 63 10.440 5.469 -5.826 1.00 15.00 N ATOM 1040 CA ILE A 63 10.457 6.469 -6.936 1.00 15.00 C ATOM 1041 C ILE A 63 10.192 7.965 -6.468 1.00 15.00 C ATOM 1042 O ILE A 63 10.070 8.870 -7.290 1.00 15.00 O ATOM 1043 CB ILE A 63 9.630 5.994 -8.227 1.00 15.00 C ATOM 1044 CG1 ILE A 63 10.146 4.621 -8.697 1.00 15.00 C ATOM 1045 CG2 ILE A 63 9.743 6.978 -9.401 1.00 15.00 C ATOM 1046 CD1 ILE A 63 9.363 4.020 -9.847 1.00 15.00 C ATOM 0 H ILE A 63 11.357 5.307 -5.409 1.00 15.00 H new ATOM 0 HA ILE A 63 11.490 6.505 -7.283 1.00 15.00 H new ATOM 0 HB ILE A 63 8.583 5.943 -7.927 1.00 15.00 H new ATOM 0 HG12 ILE A 63 11.189 4.721 -8.996 1.00 15.00 H new ATOM 0 HG13 ILE A 63 10.121 3.929 -7.855 1.00 15.00 H new ATOM 0 HG21 ILE A 63 9.164 6.605 -10.246 1.00 15.00 H new ATOM 0 HG22 ILE A 63 9.357 7.951 -9.098 1.00 15.00 H new ATOM 0 HG23 ILE A 63 10.788 7.077 -9.693 1.00 15.00 H new ATOM 0 HD11 ILE A 63 9.793 3.055 -10.115 1.00 15.00 H new ATOM 0 HD12 ILE A 63 8.324 3.884 -9.548 1.00 15.00 H new ATOM 0 HD13 ILE A 63 9.409 4.688 -10.707 1.00 15.00 H new ATOM 1058 N GLU A 64 10.109 8.220 -5.144 1.00 15.00 N ATOM 1059 CA GLU A 64 10.097 9.600 -4.609 1.00 15.00 C ATOM 1060 C GLU A 64 11.092 10.606 -5.289 1.00 15.00 C ATOM 1061 O GLU A 64 10.636 11.511 -6.011 1.00 15.00 O ATOM 1062 CB GLU A 64 10.242 9.566 -3.008 1.00 15.00 C ATOM 1063 CG GLU A 64 11.519 9.041 -2.345 1.00 15.00 C ATOM 1064 CD GLU A 64 12.651 10.048 -2.316 1.00 15.00 C ATOM 1065 OE1 GLU A 64 12.408 11.250 -2.059 1.00 15.00 O ATOM 1066 OE2 GLU A 64 13.773 9.659 -2.658 1.00 15.00 O ATOM 0 H GLU A 64 10.050 7.494 -4.430 1.00 15.00 H new ATOM 0 HA GLU A 64 9.125 10.015 -4.876 1.00 15.00 H new ATOM 0 HB2 GLU A 64 10.092 10.585 -2.652 1.00 15.00 H new ATOM 0 HB3 GLU A 64 9.414 8.970 -2.625 1.00 15.00 H new ATOM 0 HG2 GLU A 64 11.289 8.738 -1.324 1.00 15.00 H new ATOM 0 HG3 GLU A 64 11.852 8.149 -2.875 1.00 15.00 H new ATOM 1073 N GLU A 65 12.407 10.435 -5.084 1.00 15.00 N ATOM 1074 CA GLU A 65 13.486 11.295 -5.627 1.00 15.00 C ATOM 1075 C GLU A 65 13.275 12.785 -5.294 1.00 15.00 C ATOM 1076 O GLU A 65 13.672 13.661 -6.065 1.00 15.00 O ATOM 1077 CB GLU A 65 13.636 11.115 -7.136 1.00 15.00 C ATOM 1078 CG GLU A 65 13.956 9.703 -7.584 1.00 15.00 C ATOM 1079 CD GLU A 65 14.214 9.637 -9.062 1.00 15.00 C ATOM 1080 OE1 GLU A 65 13.253 9.776 -9.868 1.00 15.00 O ATOM 1081 OE2 GLU A 65 15.387 9.485 -9.464 1.00 15.00 O ATOM 0 H GLU A 65 12.768 9.668 -4.516 1.00 15.00 H new ATOM 0 HA GLU A 65 14.406 10.972 -5.140 1.00 15.00 H new ATOM 0 HB2 GLU A 65 12.711 11.432 -7.618 1.00 15.00 H new ATOM 0 HB3 GLU A 65 14.424 11.780 -7.489 1.00 15.00 H new ATOM 0 HG2 GLU A 65 14.831 9.339 -7.045 1.00 15.00 H new ATOM 0 HG3 GLU A 65 13.127 9.043 -7.329 1.00 15.00 H new ATOM 1088 N LYS A 66 12.699 13.076 -4.150 1.00 15.00 N ATOM 1089 CA LYS A 66 12.386 14.467 -3.848 1.00 15.00 C ATOM 1090 C LYS A 66 13.263 15.085 -2.781 1.00 15.00 C ATOM 1091 O LYS A 66 13.884 16.117 -3.018 1.00 15.00 O ATOM 1092 CB LYS A 66 10.894 14.695 -3.580 1.00 15.00 C ATOM 1093 CG LYS A 66 10.001 14.327 -4.759 1.00 15.00 C ATOM 1094 CD LYS A 66 10.287 15.208 -5.975 1.00 15.00 C ATOM 1095 CE LYS A 66 9.423 14.823 -7.160 1.00 15.00 C ATOM 1096 NZ LYS A 66 9.782 13.492 -7.710 1.00 15.00 N ATOM 0 H LYS A 66 12.442 12.400 -3.431 1.00 15.00 H new ATOM 0 HA LYS A 66 12.629 15.007 -4.763 1.00 15.00 H new ATOM 0 HB2 LYS A 66 10.595 14.108 -2.711 1.00 15.00 H new ATOM 0 HB3 LYS A 66 10.735 15.743 -3.327 1.00 15.00 H new ATOM 0 HG2 LYS A 66 10.157 13.281 -5.022 1.00 15.00 H new ATOM 0 HG3 LYS A 66 8.955 14.431 -4.471 1.00 15.00 H new ATOM 0 HD2 LYS A 66 10.109 16.252 -5.718 1.00 15.00 H new ATOM 0 HD3 LYS A 66 11.339 15.122 -6.248 1.00 15.00 H new ATOM 0 HE2 LYS A 66 8.376 14.818 -6.857 1.00 15.00 H new ATOM 0 HE3 LYS A 66 9.525 15.576 -7.941 1.00 15.00 H new ATOM 0 HZ1 LYS A 66 9.082 13.212 -8.427 1.00 15.00 H new ATOM 0 HZ2 LYS A 66 10.725 13.540 -8.147 1.00 15.00 H new ATOM 0 HZ3 LYS A 66 9.791 12.790 -6.943 1.00 15.00 H new ATOM 1110 N GLU A 67 13.334 14.401 -1.656 1.00 15.00 N ATOM 1111 CA GLU A 67 13.986 14.872 -0.402 1.00 15.00 C ATOM 1112 C GLU A 67 13.463 16.281 0.051 1.00 15.00 C ATOM 1113 O GLU A 67 13.633 17.292 -0.633 1.00 15.00 O ATOM 1114 CB GLU A 67 15.519 14.935 -0.501 1.00 15.00 C ATOM 1115 CG GLU A 67 16.163 15.362 0.823 1.00 15.00 C ATOM 1116 CD GLU A 67 17.630 15.658 0.720 1.00 15.00 C ATOM 1117 OE1 GLU A 67 18.456 14.748 0.872 1.00 15.00 O ATOM 1118 OE2 GLU A 67 17.989 16.840 0.495 1.00 15.00 O ATOM 0 H GLU A 67 12.933 13.468 -1.564 1.00 15.00 H new ATOM 0 HA GLU A 67 13.714 14.123 0.341 1.00 15.00 H new ATOM 0 HB2 GLU A 67 15.904 13.958 -0.793 1.00 15.00 H new ATOM 0 HB3 GLU A 67 15.803 15.637 -1.285 1.00 15.00 H new ATOM 0 HG2 GLU A 67 15.649 16.248 1.196 1.00 15.00 H new ATOM 0 HG3 GLU A 67 16.013 14.573 1.560 1.00 15.00 H new ATOM 1125 N ILE A 68 12.866 16.333 1.209 1.00 15.00 N ATOM 1126 CA ILE A 68 12.418 17.585 1.694 1.00 15.00 C ATOM 1127 C ILE A 68 13.243 18.055 2.886 1.00 15.00 C ATOM 1128 O ILE A 68 14.473 18.190 2.739 1.00 15.00 O ATOM 1129 CB ILE A 68 10.850 17.840 1.780 1.00 15.00 C ATOM 1130 CG1 ILE A 68 10.120 17.476 0.459 1.00 15.00 C ATOM 1131 CG2 ILE A 68 10.558 19.314 2.070 1.00 15.00 C ATOM 1132 CD1 ILE A 68 9.956 15.990 0.182 1.00 15.00 C ATOM 0 H ILE A 68 12.686 15.533 1.816 1.00 15.00 H new ATOM 0 HA ILE A 68 12.630 18.274 0.876 1.00 15.00 H new ATOM 0 HB ILE A 68 10.485 17.201 2.584 1.00 15.00 H new ATOM 0 HG12 ILE A 68 9.131 17.935 0.474 1.00 15.00 H new ATOM 0 HG13 ILE A 68 10.667 17.923 -0.371 1.00 15.00 H new ATOM 0 HG21 ILE A 68 9.480 19.467 2.125 1.00 15.00 H new ATOM 0 HG22 ILE A 68 11.013 19.595 3.020 1.00 15.00 H new ATOM 0 HG23 ILE A 68 10.972 19.931 1.272 1.00 15.00 H new ATOM 0 HD11 ILE A 68 9.434 15.852 -0.765 1.00 15.00 H new ATOM 0 HD12 ILE A 68 10.938 15.520 0.127 1.00 15.00 H new ATOM 0 HD13 ILE A 68 9.379 15.532 0.985 1.00 15.00 H new ATOM 1144 N THR A 69 12.642 18.253 4.032 1.00 15.00 N ATOM 1145 CA THR A 69 13.293 18.951 5.164 1.00 15.00 C ATOM 1146 C THR A 69 13.454 20.452 4.783 1.00 15.00 C ATOM 1147 O THR A 69 12.884 21.308 5.467 1.00 15.00 O ATOM 1148 CB THR A 69 14.627 18.335 5.696 1.00 15.00 C ATOM 1149 OG1 THR A 69 14.432 16.969 6.083 1.00 15.00 O ATOM 1150 CG2 THR A 69 15.112 19.112 6.902 1.00 15.00 C ATOM 0 H THR A 69 11.690 17.944 4.228 1.00 15.00 H new ATOM 0 HA THR A 69 12.631 18.825 6.020 1.00 15.00 H new ATOM 0 HB THR A 69 15.365 18.386 4.896 1.00 15.00 H new ATOM 0 HG1 THR A 69 15.277 16.598 6.412 1.00 15.00 H new ATOM 0 HG21 THR A 69 16.042 18.676 7.266 1.00 15.00 H new ATOM 0 HG22 THR A 69 15.284 20.151 6.620 1.00 15.00 H new ATOM 0 HG23 THR A 69 14.359 19.070 7.689 1.00 15.00 H new ATOM 1158 N LEU A 70 14.207 20.739 3.738 1.00 15.00 N ATOM 1159 CA LEU A 70 14.448 22.064 3.202 1.00 15.00 C ATOM 1160 C LEU A 70 13.194 22.977 3.152 1.00 15.00 C ATOM 1161 O LEU A 70 13.071 23.897 3.969 1.00 15.00 O ATOM 1162 CB LEU A 70 14.931 21.809 1.729 1.00 15.00 C ATOM 1163 CG LEU A 70 15.736 22.929 1.015 1.00 15.00 C ATOM 1164 CD1 LEU A 70 16.414 22.355 -0.203 1.00 15.00 C ATOM 1165 CD2 LEU A 70 14.875 24.112 0.595 1.00 15.00 C ATOM 0 H LEU A 70 14.693 20.013 3.212 1.00 15.00 H new ATOM 0 HA LEU A 70 15.160 22.585 3.842 1.00 15.00 H new ATOM 0 HB2 LEU A 70 15.545 20.908 1.731 1.00 15.00 H new ATOM 0 HB3 LEU A 70 14.051 21.594 1.123 1.00 15.00 H new ATOM 0 HG LEU A 70 16.466 23.303 1.733 1.00 15.00 H new ATOM 0 HD11 LEU A 70 16.980 23.138 -0.707 1.00 15.00 H new ATOM 0 HD12 LEU A 70 17.090 21.556 0.100 1.00 15.00 H new ATOM 0 HD13 LEU A 70 15.662 21.955 -0.884 1.00 15.00 H new ATOM 0 HD21 LEU A 70 15.498 24.859 0.102 1.00 15.00 H new ATOM 0 HD22 LEU A 70 14.102 23.773 -0.094 1.00 15.00 H new ATOM 0 HD23 LEU A 70 14.408 24.553 1.476 1.00 15.00 H new ATOM 1177 N GLN A 71 12.275 22.759 2.202 1.00 15.00 N ATOM 1178 CA GLN A 71 11.116 23.633 2.105 1.00 15.00 C ATOM 1179 C GLN A 71 9.792 22.921 1.873 1.00 15.00 C ATOM 1180 O GLN A 71 9.643 22.143 0.932 1.00 15.00 O ATOM 1181 CB GLN A 71 11.354 24.671 0.984 1.00 15.00 C ATOM 1182 CG GLN A 71 10.256 25.724 0.788 1.00 15.00 C ATOM 1183 CD GLN A 71 10.070 26.622 1.994 1.00 15.00 C ATOM 1184 OE1 GLN A 71 9.092 26.324 2.812 1.00 15.00 O flip ATOM 1185 NE2 GLN A 71 10.763 27.622 2.144 1.00 15.00 N flip ATOM 0 H GLN A 71 12.314 22.008 1.513 1.00 15.00 H new ATOM 0 HA GLN A 71 11.020 24.111 3.080 1.00 15.00 H new ATOM 0 HB2 GLN A 71 12.291 25.188 1.190 1.00 15.00 H new ATOM 0 HB3 GLN A 71 11.486 24.135 0.044 1.00 15.00 H new ATOM 0 HG2 GLN A 71 10.500 26.337 -0.080 1.00 15.00 H new ATOM 0 HG3 GLN A 71 9.314 25.221 0.568 1.00 15.00 H new ATOM 0 HE21 GLN A 71 11.517 27.823 1.487 1.00 15.00 H new ATOM 0 HE22 GLN A 71 10.586 28.253 2.926 1.00 15.00 H new ATOM 1194 N GLU A 72 8.850 23.203 2.768 1.00 15.00 N ATOM 1195 CA GLU A 72 7.439 22.938 2.603 1.00 15.00 C ATOM 1196 C GLU A 72 6.917 23.636 1.355 1.00 15.00 C ATOM 1197 O GLU A 72 6.539 24.811 1.410 1.00 15.00 O ATOM 1198 CB GLU A 72 6.747 23.646 3.840 1.00 15.00 C ATOM 1199 CG GLU A 72 5.202 23.718 3.824 1.00 15.00 C ATOM 1200 CD GLU A 72 4.508 22.389 3.695 1.00 15.00 C ATOM 1201 OE1 GLU A 72 4.340 21.691 4.714 1.00 15.00 O ATOM 1202 OE2 GLU A 72 4.069 22.053 2.575 1.00 15.00 O ATOM 0 H GLU A 72 9.066 23.641 3.663 1.00 15.00 H new ATOM 0 HA GLU A 72 7.246 21.868 2.529 1.00 15.00 H new ATOM 0 HB2 GLU A 72 7.054 23.124 4.746 1.00 15.00 H new ATOM 0 HB3 GLU A 72 7.134 24.662 3.911 1.00 15.00 H new ATOM 0 HG2 GLU A 72 4.866 24.200 4.742 1.00 15.00 H new ATOM 0 HG3 GLU A 72 4.891 24.356 2.997 1.00 15.00 H new ATOM 1209 N LEU A 73 7.048 23.035 0.203 1.00 15.00 N ATOM 1210 CA LEU A 73 6.486 23.607 -1.001 1.00 15.00 C ATOM 1211 C LEU A 73 5.282 22.792 -1.485 1.00 15.00 C ATOM 1212 O LEU A 73 4.889 22.869 -2.657 1.00 15.00 O ATOM 1213 CB LEU A 73 7.592 23.742 -2.076 1.00 15.00 C ATOM 1214 CG LEU A 73 8.495 22.498 -2.354 1.00 15.00 C ATOM 1215 CD1 LEU A 73 7.752 21.350 -3.028 1.00 15.00 C ATOM 1216 CD2 LEU A 73 9.706 22.890 -3.175 1.00 15.00 C ATOM 0 H LEU A 73 7.537 22.150 0.068 1.00 15.00 H new ATOM 0 HA LEU A 73 6.108 24.607 -0.789 1.00 15.00 H new ATOM 0 HB2 LEU A 73 7.114 24.025 -3.014 1.00 15.00 H new ATOM 0 HB3 LEU A 73 8.241 24.569 -1.787 1.00 15.00 H new ATOM 0 HG LEU A 73 8.817 22.133 -1.379 1.00 15.00 H new ATOM 0 HD11 LEU A 73 8.438 20.519 -3.192 1.00 15.00 H new ATOM 0 HD12 LEU A 73 6.932 21.023 -2.389 1.00 15.00 H new ATOM 0 HD13 LEU A 73 7.354 21.686 -3.986 1.00 15.00 H new ATOM 0 HD21 LEU A 73 10.322 22.010 -3.358 1.00 15.00 H new ATOM 0 HD22 LEU A 73 9.380 23.309 -4.127 1.00 15.00 H new ATOM 0 HD23 LEU A 73 10.289 23.634 -2.632 1.00 15.00 H new ATOM 1228 N ILE A 74 4.637 22.111 -0.570 1.00 15.00 N ATOM 1229 CA ILE A 74 3.595 21.173 -0.932 1.00 15.00 C ATOM 1230 C ILE A 74 2.337 21.506 -0.142 1.00 15.00 C ATOM 1231 O ILE A 74 1.664 22.519 -0.525 1.00 15.00 O ATOM 1232 CB ILE A 74 4.082 19.693 -0.668 1.00 15.00 C ATOM 1233 CG1 ILE A 74 3.086 18.584 -1.173 1.00 15.00 C ATOM 1234 CG2 ILE A 74 4.439 19.488 0.786 1.00 15.00 C ATOM 1235 CD1 ILE A 74 1.789 18.405 -0.382 1.00 15.00 C ATOM 0 H ILE A 74 4.813 22.186 0.432 1.00 15.00 H new ATOM 0 HA ILE A 74 3.366 21.252 -1.995 1.00 15.00 H new ATOM 0 HB ILE A 74 4.981 19.570 -1.273 1.00 15.00 H new ATOM 0 HG12 ILE A 74 2.824 18.809 -2.207 1.00 15.00 H new ATOM 0 HG13 ILE A 74 3.614 17.631 -1.178 1.00 15.00 H new ATOM 0 HG21 ILE A 74 4.771 18.461 0.938 1.00 15.00 H new ATOM 0 HG22 ILE A 74 5.240 20.173 1.064 1.00 15.00 H new ATOM 0 HG23 ILE A 74 3.564 19.682 1.406 1.00 15.00 H new ATOM 0 HD11 ILE A 74 1.194 17.611 -0.834 1.00 15.00 H new ATOM 0 HD12 ILE A 74 2.025 18.140 0.649 1.00 15.00 H new ATOM 0 HD13 ILE A 74 1.223 19.336 -0.396 1.00 15.00 H new TER 1247 ILE A 74