USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1324 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 114 CYS SG : rot 88:sc= -0.0475 USER MOD Set 1.2: A 120 GLN : amide:sc= -4.75! K(o=-4.8!,f=-7.4) USER MOD Set 2.1: A 106 GLN : amide:sc= -4.07! K(o=-6.1!,f=-1.1) USER MOD Set 2.2: A 108 TYR OH : rot 15:sc= -1.98! USER MOD Set 3.1: A 49 TYR OH : rot 180:sc= -0.0386 USER MOD Set 3.2: A 58 MET CE :methyl -176:sc= -1.72 (180deg=-1.79) USER MOD Set 4.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 22 CYS SG : rot -102:sc= 0.363 USER MOD Set 4.3: A 26 CYS SG : rot 160:sc= -0.796 USER MOD Set 5.1: A 14 ASN : amide:sc= -0.726 K(o=-1.5,f=-0.63) USER MOD Set 5.2: A 16 GLN : amide:sc= -0.763 K(o=-1.5,f=-0.63) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -71:sc= 1.02 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.493 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 41:sc= -3.13 USER MOD Single : A 37 ASN : amide:sc= -1.73! C(o=-1.7!,f=-7.9!) USER MOD Single : A 38 SER OG : rot -122:sc= 0.198 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.23) USER MOD Single : A 55 SER OG : rot -90:sc= 0.544 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -4.55! C(o=-4.5!,f=-4.8!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 73 MET CE :methyl 179:sc= -0.429 (180deg=-0.434) USER MOD Single : A 76 ASN : amide:sc= -3.17! C(o=-3.2!,f=-4!) USER MOD Single : A 81 SER OG : rot -107:sc= -0.687 USER MOD Single : A 82 CYS SG : rot 33:sc= -0.614 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 94 LYS NZ :NH3+ -137:sc= -3.17! (180deg=-5.69!) USER MOD Single : A 96 GLN : amide:sc= -2.44 X(o=-2.4,f=-2) USER MOD Single : A 100 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0346) USER MOD Single : A 104 ASN : amide:sc= -3.58! C(o=-3.6!,f=-0.44!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.4) USER MOD Single : A 127 HIS : no HD1:sc= -2.37! C(o=-2.4!,f=-3.9!) USER MOD Single : A 128 SER OG : rot -117:sc= -2.54! USER MOD Single : A 129 CYS SG : rot 19:sc= 0.266 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot -179:sc= -1.71 USER MOD Single : A 143 ASN : amide:sc= -0.545 X(o=-0.54,f=-0.69) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.0797 USER MOD Single : A 148 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.5!) USER MOD Single : A 149 TYR OH : rot 160:sc= 0.362 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 152:sc= -0.14 (180deg=-0.876) USER MOD Single : A 156 TYR OH : rot 180:sc= 0.409 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= 0.312 X(o=0.31,f=-0.19) USER MOD Single : A 171 SER OG : rot 128:sc= -0.317! USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.859 -11.850 1.002 1.00 0.52 N ATOM 51 CA GLY A 4 -16.207 -11.343 2.367 1.00 0.30 C ATOM 52 C GLY A 4 -14.893 -11.186 3.137 1.00 0.41 C ATOM 53 O GLY A 4 -14.437 -12.085 3.812 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.732 -10.390 2.302 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.872 -12.039 2.878 1.00 0.30 H new ATOM 57 N GLY A 5 -14.277 -10.039 3.015 1.00 0.01 N ATOM 58 CA GLY A 5 -12.983 -9.806 3.712 1.00 0.01 C ATOM 59 C GLY A 5 -13.210 -9.491 5.191 1.00 0.01 C ATOM 60 O GLY A 5 -14.207 -8.914 5.576 1.00 0.01 O ATOM 0 H GLY A 5 -14.617 -9.253 2.461 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.350 -10.688 3.617 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.453 -8.980 3.237 1.00 0.01 H new ATOM 64 N LYS A 6 -12.277 -9.868 6.019 1.00 0.00 N ATOM 65 CA LYS A 6 -12.398 -9.602 7.481 1.00 0.01 C ATOM 66 C LYS A 6 -10.997 -9.464 8.075 1.00 0.01 C ATOM 67 O LYS A 6 -10.099 -10.235 7.766 1.00 0.00 O ATOM 68 CB LYS A 6 -13.145 -10.750 8.167 1.00 0.02 C ATOM 69 CG LYS A 6 -13.434 -10.389 9.627 1.00 0.02 C ATOM 70 CD LYS A 6 -13.928 -11.634 10.365 1.00 0.02 C ATOM 71 CE LYS A 6 -14.113 -11.315 11.851 1.00 0.02 C ATOM 72 NZ LYS A 6 -14.231 -12.586 12.619 1.00 0.02 N ATOM 0 H LYS A 6 -11.425 -10.355 5.742 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.959 -8.681 7.639 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -14.079 -10.952 7.642 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.549 -11.662 8.120 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.533 -10.003 10.104 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.185 -9.600 9.677 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -14.871 -11.972 9.936 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -13.213 -12.448 10.244 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -13.267 -10.733 12.217 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -15.005 -10.706 11.995 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -14.357 -12.371 13.629 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -15.051 -13.125 12.275 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -13.367 -13.151 12.490 1.00 0.02 H new ATOM 86 N ILE A 7 -10.817 -8.485 8.932 1.00 0.02 N ATOM 87 CA ILE A 7 -9.490 -8.253 9.584 1.00 0.00 C ATOM 88 C ILE A 7 -9.689 -8.118 11.100 1.00 0.02 C ATOM 89 O ILE A 7 -10.635 -7.506 11.556 1.00 0.01 O ATOM 90 CB ILE A 7 -8.850 -6.994 8.996 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.622 -6.600 9.822 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.857 -5.847 9.004 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.811 -5.552 9.055 1.00 0.02 C ATOM 0 H ILE A 7 -11.546 -7.828 9.210 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.824 -9.095 9.397 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.545 -7.199 7.970 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.932 -6.201 10.788 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -7.007 -7.478 10.022 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.394 -4.954 8.584 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.726 -6.121 8.406 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -10.171 -5.646 10.028 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.936 -5.269 9.640 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.490 -5.968 8.100 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.429 -4.672 8.878 1.00 0.02 H new ATOM 105 N SER A 8 -8.790 -8.676 11.883 1.00 0.02 N ATOM 106 CA SER A 8 -8.899 -8.580 13.377 1.00 0.02 C ATOM 107 C SER A 8 -7.652 -7.897 13.948 1.00 0.01 C ATOM 108 O SER A 8 -6.537 -8.282 13.664 1.00 0.02 O ATOM 109 CB SER A 8 -9.029 -9.981 13.980 1.00 0.30 C ATOM 110 OG SER A 8 -9.902 -10.760 13.172 1.00 0.39 O ATOM 0 H SER A 8 -7.980 -9.197 11.547 1.00 0.02 H new ATOM 0 HA SER A 8 -9.782 -7.992 13.629 1.00 0.02 H new ATOM 0 HB2 SER A 8 -8.050 -10.456 14.040 1.00 0.30 H new ATOM 0 HB3 SER A 8 -9.416 -9.917 14.997 1.00 0.30 H new ATOM 0 HG SER A 8 -10.820 -10.434 13.274 1.00 0.39 H new ATOM 116 N PHE A 9 -7.845 -6.894 14.773 1.00 0.02 N ATOM 117 CA PHE A 9 -6.691 -6.173 15.405 1.00 0.01 C ATOM 118 C PHE A 9 -6.650 -6.518 16.901 1.00 0.01 C ATOM 119 O PHE A 9 -7.678 -6.604 17.543 1.00 0.02 O ATOM 120 CB PHE A 9 -6.891 -4.659 15.256 1.00 0.02 C ATOM 121 CG PHE A 9 -7.291 -4.310 13.842 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.607 -4.526 13.417 1.00 0.01 C ATOM 123 CD2 PHE A 9 -6.356 -3.750 12.964 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.988 -4.184 12.115 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.735 -3.411 11.660 1.00 0.02 C ATOM 126 CZ PHE A 9 -8.051 -3.627 11.236 1.00 0.02 C ATOM 0 H PHE A 9 -8.764 -6.540 15.039 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.762 -6.473 14.920 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.659 -4.318 15.951 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.970 -4.138 15.518 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.329 -4.957 14.095 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -5.342 -3.579 13.293 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -10.004 -4.349 11.788 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -6.012 -2.983 10.981 1.00 0.02 H new ATOM 0 HZ PHE A 9 -8.344 -3.364 10.230 1.00 0.02 H new ATOM 136 N TYR A 10 -5.476 -6.730 17.461 1.00 0.02 N ATOM 137 CA TYR A 10 -5.375 -7.082 18.921 1.00 0.01 C ATOM 138 C TYR A 10 -4.456 -6.088 19.641 1.00 0.02 C ATOM 139 O TYR A 10 -3.450 -5.660 19.113 1.00 0.01 O ATOM 140 CB TYR A 10 -4.793 -8.489 19.067 1.00 0.02 C ATOM 141 CG TYR A 10 -5.516 -9.443 18.142 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.278 -9.396 16.764 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.417 -10.381 18.664 1.00 0.00 C ATOM 144 CE1 TYR A 10 -5.940 -10.285 15.907 1.00 0.02 C ATOM 145 CE2 TYR A 10 -7.079 -11.270 17.808 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.841 -11.222 16.430 1.00 0.00 C ATOM 147 OH TYR A 10 -7.494 -12.100 15.588 1.00 0.02 O ATOM 0 H TYR A 10 -4.584 -6.674 16.970 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.371 -7.041 19.363 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.729 -8.478 18.833 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.889 -8.826 20.099 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.583 -8.674 16.361 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.601 -10.418 19.728 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.756 -10.248 14.843 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.773 -11.992 18.211 1.00 0.02 H new ATOM 0 HH TYR A 10 -8.081 -12.682 16.114 1.00 0.02 H new ATOM 157 N GLU A 11 -4.817 -5.688 20.834 1.00 0.00 N ATOM 158 CA GLU A 11 -3.989 -4.689 21.572 1.00 0.02 C ATOM 159 C GLU A 11 -2.638 -5.269 21.991 1.00 0.03 C ATOM 160 O GLU A 11 -1.682 -4.533 22.147 1.00 0.03 O ATOM 161 CB GLU A 11 -4.736 -4.240 22.834 1.00 0.00 C ATOM 162 CG GLU A 11 -5.886 -3.316 22.450 1.00 0.00 C ATOM 163 CD GLU A 11 -6.634 -2.879 23.710 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.497 -3.549 24.719 1.00 0.02 O ATOM 165 OE2 GLU A 11 -7.332 -1.881 23.643 1.00 0.01 O ATOM 0 H GLU A 11 -5.649 -6.010 21.328 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.813 -3.848 20.901 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.118 -5.109 23.370 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.052 -3.724 23.509 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.504 -2.443 21.921 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.566 -3.829 21.770 1.00 0.00 H new ATOM 172 N ASP A 12 -2.531 -6.564 22.190 1.00 0.02 N ATOM 173 CA ASP A 12 -1.219 -7.154 22.614 1.00 0.01 C ATOM 174 C ASP A 12 -0.665 -8.070 21.519 1.00 0.02 C ATOM 175 O ASP A 12 -1.326 -8.389 20.550 1.00 0.02 O ATOM 176 CB ASP A 12 -1.415 -7.975 23.890 1.00 0.01 C ATOM 177 CG ASP A 12 -2.228 -7.163 24.900 1.00 0.01 C ATOM 178 OD1 ASP A 12 -2.532 -6.019 24.602 1.00 0.02 O ATOM 179 OD2 ASP A 12 -2.533 -7.697 25.953 1.00 0.03 O ATOM 0 H ASP A 12 -3.292 -7.234 22.078 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.516 -6.341 22.794 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -1.929 -8.908 23.659 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -0.448 -8.241 24.316 1.00 0.01 H new ATOM 184 N ARG A 13 0.560 -8.480 21.683 1.00 0.02 N ATOM 185 CA ARG A 13 1.217 -9.368 20.684 1.00 0.02 C ATOM 186 C ARG A 13 0.668 -10.793 20.815 1.00 0.00 C ATOM 187 O ARG A 13 0.149 -11.184 21.842 1.00 0.02 O ATOM 188 CB ARG A 13 2.726 -9.372 20.965 1.00 0.00 C ATOM 189 CG ARG A 13 3.368 -8.098 20.393 1.00 0.01 C ATOM 190 CD ARG A 13 4.897 -8.157 20.561 1.00 0.02 C ATOM 191 NE ARG A 13 5.541 -7.336 19.500 1.00 0.03 N ATOM 192 CZ ARG A 13 6.796 -6.996 19.611 1.00 0.02 C ATOM 193 NH1 ARG A 13 7.477 -7.356 20.664 1.00 0.02 N ATOM 194 NH2 ARG A 13 7.367 -6.296 18.668 1.00 0.02 N ATOM 0 H ARG A 13 1.145 -8.233 22.481 1.00 0.02 H new ATOM 0 HA ARG A 13 1.020 -9.007 19.675 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.905 -9.429 22.039 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.186 -10.254 20.518 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.114 -7.995 19.338 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.972 -7.220 20.904 1.00 0.01 H new ATOM 0 HD2 ARG A 13 5.181 -7.786 21.546 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.242 -9.189 20.498 1.00 0.02 H new ATOM 0 HE ARG A 13 5.002 -7.039 18.687 1.00 0.03 H new ATOM 0 HH11 ARG A 13 7.028 -7.903 21.399 1.00 0.02 H new ATOM 0 HH12 ARG A 13 8.458 -7.091 20.752 1.00 0.02 H new ATOM 0 HH21 ARG A 13 6.832 -6.016 17.846 1.00 0.02 H new ATOM 0 HH22 ARG A 13 8.348 -6.030 18.753 1.00 0.02 H new ATOM 208 N ASN A 14 0.801 -11.571 19.772 1.00 0.02 N ATOM 209 CA ASN A 14 0.320 -12.984 19.799 1.00 0.02 C ATOM 210 C ASN A 14 -1.206 -13.038 19.920 1.00 0.02 C ATOM 211 O ASN A 14 -1.768 -13.910 20.553 1.00 0.02 O ATOM 212 CB ASN A 14 0.988 -13.713 20.971 1.00 0.26 C ATOM 213 CG ASN A 14 2.425 -13.214 21.129 1.00 0.12 C ATOM 214 OD1 ASN A 14 3.218 -13.317 20.215 1.00 0.74 O ATOM 215 ND2 ASN A 14 2.795 -12.676 22.259 1.00 0.46 N ATOM 0 H ASN A 14 1.228 -11.283 18.892 1.00 0.02 H new ATOM 0 HA ASN A 14 0.590 -13.477 18.865 1.00 0.02 H new ATOM 0 HB2 ASN A 14 0.428 -13.537 21.889 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.982 -14.789 20.795 1.00 0.26 H new ATOM 0 HD21 ASN A 14 3.751 -12.341 22.375 1.00 0.46 H new ATOM 0 HD22 ASN A 14 2.128 -12.590 23.026 1.00 0.46 H new ATOM 222 N PHE A 15 -1.858 -12.081 19.304 1.00 0.02 N ATOM 223 CA PHE A 15 -3.352 -11.990 19.314 1.00 0.02 C ATOM 224 C PHE A 15 -3.901 -12.117 20.733 1.00 0.00 C ATOM 225 O PHE A 15 -4.880 -12.792 20.981 1.00 0.02 O ATOM 226 CB PHE A 15 -3.981 -13.056 18.396 1.00 0.02 C ATOM 227 CG PHE A 15 -3.323 -14.399 18.594 1.00 0.02 C ATOM 228 CD1 PHE A 15 -2.205 -14.750 17.827 1.00 0.02 C ATOM 229 CD2 PHE A 15 -3.832 -15.296 19.541 1.00 0.02 C ATOM 230 CE1 PHE A 15 -1.595 -15.997 18.008 1.00 0.02 C ATOM 231 CE2 PHE A 15 -3.222 -16.543 19.721 1.00 0.02 C ATOM 232 CZ PHE A 15 -2.104 -16.893 18.955 1.00 0.02 C ATOM 0 H PHE A 15 -1.401 -11.336 18.778 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.623 -11.007 18.929 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.048 -13.136 18.604 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -3.881 -12.749 17.355 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -1.813 -14.058 17.096 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -4.695 -15.026 20.132 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -0.732 -16.267 17.417 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -3.614 -17.235 20.451 1.00 0.02 H new ATOM 0 HZ PHE A 15 -1.634 -17.855 19.095 1.00 0.02 H new ATOM 242 N GLN A 16 -3.279 -11.436 21.658 1.00 0.02 N ATOM 243 CA GLN A 16 -3.741 -11.454 23.078 1.00 0.02 C ATOM 244 C GLN A 16 -4.283 -10.060 23.412 1.00 0.02 C ATOM 245 O GLN A 16 -4.062 -9.115 22.677 1.00 0.02 O ATOM 246 CB GLN A 16 -2.556 -11.770 23.995 1.00 0.02 C ATOM 247 CG GLN A 16 -2.241 -13.265 23.924 1.00 0.00 C ATOM 248 CD GLN A 16 -0.880 -13.528 24.567 1.00 0.00 C ATOM 249 OE1 GLN A 16 -0.711 -14.497 25.278 1.00 0.02 O ATOM 250 NE2 GLN A 16 0.105 -12.701 24.343 1.00 0.02 N ATOM 0 H GLN A 16 -2.456 -10.858 21.487 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.513 -12.211 23.220 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.684 -11.189 23.694 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -2.790 -11.485 25.021 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.015 -13.836 24.438 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.236 -13.598 22.886 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.038 -11.887 23.745 1.00 0.02 H new ATOM 0 HE22 GLN A 16 1.018 -12.869 24.766 1.00 0.02 H new ATOM 259 N GLY A 17 -4.994 -9.910 24.500 1.00 0.03 N ATOM 260 CA GLY A 17 -5.535 -8.561 24.848 1.00 0.03 C ATOM 261 C GLY A 17 -6.906 -8.350 24.200 1.00 0.02 C ATOM 262 O GLY A 17 -7.511 -9.271 23.688 1.00 0.02 O ATOM 0 H GLY A 17 -5.222 -10.656 25.158 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.619 -8.464 25.930 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -4.844 -7.788 24.512 1.00 0.03 H new ATOM 266 N ARG A 18 -7.389 -7.137 24.207 1.00 0.00 N ATOM 267 CA ARG A 18 -8.711 -6.845 23.580 1.00 0.02 C ATOM 268 C ARG A 18 -8.590 -7.005 22.065 1.00 0.02 C ATOM 269 O ARG A 18 -7.573 -6.689 21.477 1.00 0.02 O ATOM 270 CB ARG A 18 -9.119 -5.408 23.909 1.00 0.79 C ATOM 271 CG ARG A 18 -10.551 -5.164 23.430 1.00 1.49 C ATOM 272 CD ARG A 18 -11.065 -3.844 24.006 1.00 1.42 C ATOM 273 NE ARG A 18 -10.070 -2.766 23.744 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.416 -1.514 23.869 1.00 2.35 C ATOM 275 NH1 ARG A 18 -11.634 -1.207 24.216 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.544 -0.570 23.647 1.00 2.76 N ATOM 0 H ARG A 18 -6.922 -6.331 24.622 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.464 -7.534 23.964 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.049 -5.235 24.983 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.438 -4.706 23.428 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.581 -5.134 22.341 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.195 -5.985 23.744 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -12.023 -3.587 23.555 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -11.234 -3.944 25.078 1.00 1.42 H new ATOM 0 HE ARG A 18 -9.118 -3.007 23.467 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -12.316 -1.945 24.390 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -11.905 -0.229 24.314 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -8.591 -0.810 23.375 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -9.815 0.408 23.745 1.00 2.76 H new ATOM 290 N ARG A 19 -9.620 -7.517 21.432 1.00 0.02 N ATOM 291 CA ARG A 19 -9.585 -7.734 19.951 1.00 0.02 C ATOM 292 C ARG A 19 -10.723 -6.961 19.277 1.00 0.02 C ATOM 293 O ARG A 19 -11.781 -6.762 19.839 1.00 0.02 O ATOM 294 CB ARG A 19 -9.750 -9.239 19.675 1.00 0.85 C ATOM 295 CG ARG A 19 -10.005 -9.497 18.169 1.00 1.31 C ATOM 296 CD ARG A 19 -11.517 -9.580 17.866 1.00 1.34 C ATOM 297 NE ARG A 19 -11.939 -11.009 17.869 1.00 1.50 N ATOM 298 CZ ARG A 19 -13.206 -11.315 17.921 1.00 1.63 C ATOM 299 NH1 ARG A 19 -14.105 -10.369 17.954 1.00 1.72 N ATOM 300 NH2 ARG A 19 -13.576 -12.567 17.936 1.00 1.89 N ATOM 0 H ARG A 19 -10.491 -7.796 21.883 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.637 -7.377 19.549 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -8.854 -9.772 19.993 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.580 -9.632 20.262 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -9.556 -8.698 17.579 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -9.520 -10.426 17.869 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -12.081 -9.020 18.612 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -11.732 -9.127 16.898 1.00 1.34 H new ATOM 0 HE ARG A 19 -11.237 -11.748 17.830 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -13.817 -9.391 17.939 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -15.096 -10.608 17.995 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -12.874 -13.307 17.907 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -14.567 -12.806 17.977 1.00 1.89 H new ATOM 314 N TYR A 20 -10.504 -6.546 18.058 1.00 0.02 N ATOM 315 CA TYR A 20 -11.552 -5.800 17.292 1.00 0.02 C ATOM 316 C TYR A 20 -11.643 -6.399 15.887 1.00 0.02 C ATOM 317 O TYR A 20 -10.651 -6.543 15.207 1.00 0.02 O ATOM 318 CB TYR A 20 -11.170 -4.320 17.202 1.00 0.02 C ATOM 319 CG TYR A 20 -12.127 -3.602 16.274 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.488 -3.525 16.596 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.655 -3.017 15.091 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.375 -2.865 15.738 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.543 -2.356 14.234 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.903 -2.280 14.557 1.00 0.02 C ATOM 325 OH TYR A 20 -14.779 -1.631 13.711 1.00 0.01 O ATOM 0 H TYR A 20 -9.631 -6.693 17.551 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.515 -5.883 17.796 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.199 -3.866 18.193 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -10.148 -4.220 16.835 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.853 -3.975 17.507 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.606 -3.076 14.841 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.424 -2.807 15.987 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -12.179 -1.904 13.323 1.00 0.02 H new ATOM 0 HH TYR A 20 -14.289 -1.281 12.938 1.00 0.01 H new ATOM 335 N ASP A 21 -12.828 -6.756 15.453 1.00 0.01 N ATOM 336 CA ASP A 21 -13.006 -7.363 14.092 1.00 0.02 C ATOM 337 C ASP A 21 -13.762 -6.385 13.192 1.00 0.00 C ATOM 338 O ASP A 21 -14.725 -5.765 13.597 1.00 0.01 O ATOM 339 CB ASP A 21 -13.820 -8.659 14.226 1.00 0.12 C ATOM 340 CG ASP A 21 -12.912 -9.802 14.692 1.00 0.41 C ATOM 341 OD1 ASP A 21 -11.743 -9.787 14.344 1.00 1.12 O ATOM 342 OD2 ASP A 21 -13.403 -10.675 15.388 1.00 0.56 O ATOM 0 H ASP A 21 -13.690 -6.652 15.988 1.00 0.01 H new ATOM 0 HA ASP A 21 -12.031 -7.579 13.655 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -14.633 -8.516 14.938 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -14.276 -8.913 13.269 1.00 0.12 H new ATOM 347 N CYS A 22 -13.318 -6.246 11.966 1.00 0.01 N ATOM 348 CA CYS A 22 -13.986 -5.310 11.009 1.00 0.00 C ATOM 349 C CYS A 22 -14.248 -6.036 9.686 1.00 0.02 C ATOM 350 O CYS A 22 -13.417 -6.777 9.190 1.00 0.01 O ATOM 351 CB CYS A 22 -13.075 -4.101 10.776 1.00 0.00 C ATOM 352 SG CYS A 22 -14.025 -2.770 10.000 1.00 0.02 S ATOM 0 H CYS A 22 -12.515 -6.746 11.585 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.937 -4.971 11.420 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.657 -3.759 11.723 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.236 -4.382 10.140 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.760 -2.733 8.728 1.00 0.02 H new ATOM 358 N ASP A 23 -15.411 -5.829 9.120 1.00 0.01 N ATOM 359 CA ASP A 23 -15.775 -6.498 7.830 1.00 0.02 C ATOM 360 C ASP A 23 -15.988 -5.440 6.748 1.00 0.00 C ATOM 361 O ASP A 23 -16.462 -5.729 5.667 1.00 0.02 O ATOM 362 CB ASP A 23 -17.068 -7.294 8.023 1.00 0.16 C ATOM 363 CG ASP A 23 -18.086 -6.436 8.775 1.00 0.17 C ATOM 364 OD1 ASP A 23 -17.736 -5.920 9.823 1.00 0.20 O ATOM 365 OD2 ASP A 23 -19.198 -6.309 8.289 1.00 0.17 O ATOM 0 H ASP A 23 -16.133 -5.218 9.501 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.971 -7.169 7.527 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.472 -7.593 7.056 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -16.865 -8.209 8.580 1.00 0.16 H new ATOM 370 N CYS A 24 -15.631 -4.218 7.026 1.00 0.01 N ATOM 371 CA CYS A 24 -15.797 -3.136 6.017 1.00 0.01 C ATOM 372 C CYS A 24 -14.842 -2.000 6.376 1.00 0.01 C ATOM 373 O CYS A 24 -14.184 -2.042 7.396 1.00 0.01 O ATOM 374 CB CYS A 24 -17.238 -2.625 6.037 1.00 0.62 C ATOM 375 SG CYS A 24 -17.769 -2.389 7.751 1.00 1.23 S ATOM 0 H CYS A 24 -15.229 -3.920 7.915 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.576 -3.515 5.019 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.310 -1.685 5.490 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.895 -3.336 5.536 1.00 0.62 H new ATOM 0 HG CYS A 24 -18.993 -1.952 7.770 1.00 1.23 H new ATOM 381 N ASP A 25 -14.740 -0.988 5.562 1.00 0.02 N ATOM 382 CA ASP A 25 -13.805 0.125 5.889 1.00 0.01 C ATOM 383 C ASP A 25 -14.223 0.801 7.196 1.00 0.02 C ATOM 384 O ASP A 25 -15.393 0.950 7.482 1.00 0.00 O ATOM 385 CB ASP A 25 -13.840 1.159 4.761 1.00 0.01 C ATOM 386 CG ASP A 25 -15.292 1.474 4.403 1.00 0.01 C ATOM 387 OD1 ASP A 25 -16.080 1.662 5.316 1.00 0.01 O ATOM 388 OD2 ASP A 25 -15.592 1.525 3.222 1.00 0.01 O ATOM 0 H ASP A 25 -15.259 -0.882 4.690 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.799 -0.279 6.000 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -13.325 2.068 5.071 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -13.313 0.777 3.887 1.00 0.01 H new ATOM 393 N CYS A 26 -13.266 1.233 7.980 1.00 0.01 N ATOM 394 CA CYS A 26 -13.582 1.934 9.267 1.00 0.01 C ATOM 395 C CYS A 26 -12.753 3.217 9.339 1.00 0.01 C ATOM 396 O CYS A 26 -11.537 3.186 9.328 1.00 0.01 O ATOM 397 CB CYS A 26 -13.244 1.029 10.454 1.00 0.01 C ATOM 398 SG CYS A 26 -13.862 1.778 11.980 1.00 0.02 S ATOM 0 H CYS A 26 -12.271 1.130 7.783 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.645 2.174 9.306 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.690 0.045 10.313 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -12.166 0.884 10.519 1.00 0.01 H new ATOM 0 HG CYS A 26 -13.968 0.865 12.900 1.00 0.02 H new ATOM 404 N ALA A 27 -13.399 4.353 9.376 1.00 0.01 N ATOM 405 CA ALA A 27 -12.644 5.635 9.405 1.00 0.01 C ATOM 406 C ALA A 27 -12.078 5.894 10.799 1.00 0.01 C ATOM 407 O ALA A 27 -11.100 6.593 10.957 1.00 0.02 O ATOM 408 CB ALA A 27 -13.574 6.781 9.007 1.00 0.24 C ATOM 0 H ALA A 27 -14.415 4.446 9.387 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.815 5.571 8.700 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -13.023 7.721 9.028 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.956 6.607 8.001 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -14.407 6.834 9.708 1.00 0.24 H new ATOM 414 N ASP A 28 -12.681 5.344 11.816 1.00 0.01 N ATOM 415 CA ASP A 28 -12.167 5.562 13.199 1.00 0.02 C ATOM 416 C ASP A 28 -12.590 4.379 14.073 1.00 0.01 C ATOM 417 O ASP A 28 -13.717 4.293 14.518 1.00 0.02 O ATOM 418 CB ASP A 28 -12.750 6.856 13.771 1.00 0.67 C ATOM 419 CG ASP A 28 -12.160 7.113 15.160 1.00 0.90 C ATOM 420 OD1 ASP A 28 -12.744 6.648 16.125 1.00 0.87 O ATOM 421 OD2 ASP A 28 -11.135 7.772 15.235 1.00 1.14 O ATOM 0 H ASP A 28 -13.509 4.752 11.750 1.00 0.01 H new ATOM 0 HA ASP A 28 -11.080 5.642 13.180 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.526 7.692 13.109 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.836 6.781 13.834 1.00 0.67 H new ATOM 426 N PHE A 29 -11.683 3.470 14.323 1.00 0.02 N ATOM 427 CA PHE A 29 -11.996 2.278 15.171 1.00 0.02 C ATOM 428 C PHE A 29 -11.368 2.456 16.557 1.00 0.00 C ATOM 429 O PHE A 29 -11.326 1.552 17.368 1.00 0.02 O ATOM 430 CB PHE A 29 -11.464 1.009 14.489 1.00 2.87 C ATOM 431 CG PHE A 29 -9.961 0.919 14.632 1.00 3.99 C ATOM 432 CD1 PHE A 29 -9.135 1.771 13.889 1.00 4.68 C ATOM 433 CD2 PHE A 29 -9.395 -0.020 15.504 1.00 4.52 C ATOM 434 CE1 PHE A 29 -7.745 1.684 14.019 1.00 5.85 C ATOM 435 CE2 PHE A 29 -8.006 -0.106 15.632 1.00 5.75 C ATOM 436 CZ PHE A 29 -7.182 0.746 14.891 1.00 6.37 C ATOM 0 H PHE A 29 -10.726 3.503 13.971 1.00 0.02 H new ATOM 0 HA PHE A 29 -13.075 2.181 15.290 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.930 0.129 14.932 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.735 1.016 13.433 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.571 2.495 13.216 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -10.032 -0.677 16.077 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -7.107 2.341 13.446 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -7.569 -0.831 16.303 1.00 5.75 H new ATOM 0 HZ PHE A 29 -6.109 0.680 14.992 1.00 6.37 H new ATOM 446 N ARG A 30 -10.848 3.624 16.810 1.00 0.01 N ATOM 447 CA ARG A 30 -10.188 3.897 18.114 1.00 0.00 C ATOM 448 C ARG A 30 -11.166 3.685 19.273 1.00 0.01 C ATOM 449 O ARG A 30 -10.761 3.438 20.392 1.00 0.02 O ATOM 450 CB ARG A 30 -9.680 5.342 18.134 1.00 0.32 C ATOM 451 CG ARG A 30 -9.036 5.680 16.782 1.00 0.86 C ATOM 452 CD ARG A 30 -8.122 6.899 16.930 1.00 1.62 C ATOM 453 NE ARG A 30 -6.846 6.485 17.578 1.00 2.25 N ATOM 454 CZ ARG A 30 -5.807 7.273 17.532 1.00 2.70 C ATOM 455 NH1 ARG A 30 -5.886 8.422 16.915 1.00 3.11 N ATOM 456 NH2 ARG A 30 -4.688 6.914 18.102 1.00 3.02 N ATOM 0 H ARG A 30 -10.853 4.410 16.160 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.353 3.206 18.233 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.505 6.025 18.336 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -8.954 5.472 18.937 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -8.463 4.827 16.419 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -9.810 5.883 16.041 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -7.921 7.337 15.952 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -8.614 7.666 17.528 1.00 1.62 H new ATOM 0 HE ARG A 30 -6.785 5.587 18.057 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -6.760 8.703 16.470 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -5.074 9.038 16.879 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -4.626 6.017 18.584 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -3.876 7.531 18.066 1.00 3.02 H new ATOM 470 N SER A 31 -12.447 3.787 19.034 1.00 0.02 N ATOM 471 CA SER A 31 -13.427 3.601 20.142 1.00 0.02 C ATOM 472 C SER A 31 -13.535 2.119 20.503 1.00 0.01 C ATOM 473 O SER A 31 -14.047 1.759 21.545 1.00 0.02 O ATOM 474 CB SER A 31 -14.796 4.112 19.696 1.00 0.37 C ATOM 475 OG SER A 31 -15.646 4.229 20.830 1.00 0.88 O ATOM 0 H SER A 31 -12.855 3.991 18.122 1.00 0.02 H new ATOM 0 HA SER A 31 -13.089 4.158 21.015 1.00 0.02 H new ATOM 0 HB2 SER A 31 -14.693 5.079 19.203 1.00 0.37 H new ATOM 0 HB3 SER A 31 -15.233 3.428 18.969 1.00 0.37 H new ATOM 0 HG SER A 31 -16.525 4.558 20.548 1.00 0.88 H new ATOM 481 N TYR A 32 -13.069 1.255 19.638 1.00 0.01 N ATOM 482 CA TYR A 32 -13.150 -0.213 19.908 1.00 0.01 C ATOM 483 C TYR A 32 -11.775 -0.723 20.330 1.00 0.02 C ATOM 484 O TYR A 32 -11.649 -1.753 20.963 1.00 0.02 O ATOM 485 CB TYR A 32 -13.580 -0.930 18.626 1.00 0.02 C ATOM 486 CG TYR A 32 -14.970 -0.482 18.241 1.00 0.02 C ATOM 487 CD1 TYR A 32 -15.151 0.719 17.545 1.00 0.01 C ATOM 488 CD2 TYR A 32 -16.079 -1.268 18.583 1.00 0.01 C ATOM 489 CE1 TYR A 32 -16.440 1.134 17.190 1.00 0.02 C ATOM 490 CE2 TYR A 32 -17.368 -0.853 18.227 1.00 0.00 C ATOM 491 CZ TYR A 32 -17.549 0.348 17.530 1.00 0.02 C ATOM 492 OH TYR A 32 -18.819 0.757 17.180 1.00 0.02 O ATOM 0 H TYR A 32 -12.633 1.505 18.750 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.872 -0.405 20.702 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.879 -0.710 17.821 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.563 -2.009 18.777 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -14.297 1.325 17.282 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -15.939 -2.194 19.121 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -16.580 2.061 16.654 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -18.222 -1.459 18.490 1.00 0.00 H new ATOM 0 HH TYR A 32 -19.473 0.096 17.491 1.00 0.02 H new ATOM 502 N LEU A 33 -10.735 -0.014 19.976 1.00 0.02 N ATOM 503 CA LEU A 33 -9.359 -0.462 20.345 1.00 0.02 C ATOM 504 C LEU A 33 -8.455 0.772 20.508 1.00 0.02 C ATOM 505 O LEU A 33 -8.400 1.640 19.662 1.00 0.02 O ATOM 506 CB LEU A 33 -8.823 -1.359 19.207 1.00 1.66 C ATOM 507 CG LEU A 33 -7.966 -2.503 19.781 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.842 -3.472 20.614 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.301 -3.270 18.629 1.00 2.80 C ATOM 0 H LEU A 33 -10.779 0.857 19.447 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.373 -1.019 21.282 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.656 -1.771 18.638 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.228 -0.763 18.515 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.201 -2.078 20.431 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -8.220 -4.274 21.012 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.304 -2.928 21.438 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.619 -3.897 19.979 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.694 -4.080 19.034 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -8.069 -3.684 17.976 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.667 -2.592 18.058 1.00 2.80 H new ATOM 521 N SER A 34 -7.766 0.848 21.618 1.00 0.02 N ATOM 522 CA SER A 34 -6.878 2.019 21.886 1.00 0.02 C ATOM 523 C SER A 34 -5.493 1.815 21.262 1.00 0.00 C ATOM 524 O SER A 34 -4.692 2.725 21.215 1.00 0.01 O ATOM 525 CB SER A 34 -6.731 2.190 23.398 1.00 0.02 C ATOM 526 OG SER A 34 -5.763 1.269 23.882 1.00 0.02 O ATOM 0 H SER A 34 -7.781 0.144 22.355 1.00 0.02 H new ATOM 0 HA SER A 34 -7.326 2.908 21.442 1.00 0.02 H new ATOM 0 HB2 SER A 34 -6.428 3.211 23.633 1.00 0.02 H new ATOM 0 HB3 SER A 34 -7.689 2.021 23.890 1.00 0.02 H new ATOM 0 HG SER A 34 -5.665 1.377 24.851 1.00 0.02 H new ATOM 532 N ARG A 35 -5.200 0.638 20.784 1.00 0.02 N ATOM 533 CA ARG A 35 -3.865 0.380 20.164 1.00 0.01 C ATOM 534 C ARG A 35 -3.913 -1.001 19.500 1.00 0.02 C ATOM 535 O ARG A 35 -4.767 -1.809 19.806 1.00 0.02 O ATOM 536 CB ARG A 35 -2.789 0.399 21.262 1.00 0.02 C ATOM 537 CG ARG A 35 -1.389 0.567 20.640 1.00 0.02 C ATOM 538 CD ARG A 35 -1.089 2.052 20.372 1.00 0.02 C ATOM 539 NE ARG A 35 -0.458 2.652 21.580 1.00 0.02 N ATOM 540 CZ ARG A 35 0.151 3.805 21.495 1.00 0.02 C ATOM 541 NH1 ARG A 35 0.201 4.436 20.352 1.00 0.00 N ATOM 542 NH2 ARG A 35 0.710 4.328 22.554 1.00 0.02 N ATOM 0 H ARG A 35 -5.831 -0.163 20.795 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.626 1.142 19.423 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -2.985 1.215 21.958 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.830 -0.527 21.836 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -0.636 0.154 21.310 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -1.329 0.005 19.708 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -0.425 2.152 19.513 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -2.009 2.582 20.127 1.00 0.02 H new ATOM 0 HE ARG A 35 -0.501 2.163 22.474 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -0.236 4.029 19.525 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.677 5.336 20.287 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.671 3.836 23.447 1.00 0.02 H new ATOM 0 HH22 ARG A 35 1.185 5.228 22.488 1.00 0.02 H new ATOM 556 N CYS A 36 -3.009 -1.292 18.597 1.00 0.02 N ATOM 557 CA CYS A 36 -3.007 -2.630 17.926 1.00 0.02 C ATOM 558 C CYS A 36 -1.554 -3.073 17.725 1.00 0.02 C ATOM 559 O CYS A 36 -0.820 -2.441 16.993 1.00 0.02 O ATOM 560 CB CYS A 36 -3.704 -2.513 16.565 1.00 0.02 C ATOM 561 SG CYS A 36 -3.300 -3.952 15.541 1.00 0.02 S ATOM 0 H CYS A 36 -2.269 -0.658 18.294 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.535 -3.361 18.538 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -4.783 -2.446 16.704 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -3.389 -1.598 16.063 1.00 0.02 H new ATOM 0 HG CYS A 36 -3.321 -5.026 16.274 1.00 0.02 H new ATOM 567 N ASN A 37 -1.114 -4.129 18.375 1.00 0.02 N ATOM 568 CA ASN A 37 0.315 -4.568 18.221 1.00 0.01 C ATOM 569 C ASN A 37 0.396 -5.864 17.412 1.00 0.02 C ATOM 570 O ASN A 37 1.460 -6.389 17.151 1.00 0.02 O ATOM 571 CB ASN A 37 0.938 -4.801 19.599 1.00 0.02 C ATOM 572 CG ASN A 37 0.707 -3.572 20.480 1.00 0.01 C ATOM 573 OD1 ASN A 37 -0.334 -2.949 20.415 1.00 0.03 O ATOM 574 ND2 ASN A 37 1.641 -3.195 21.307 1.00 0.02 N ATOM 0 H ASN A 37 -1.678 -4.703 19.002 1.00 0.02 H new ATOM 0 HA ASN A 37 0.859 -3.784 17.695 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.497 -5.683 20.064 1.00 0.02 H new ATOM 0 HB3 ASN A 37 2.006 -4.994 19.499 1.00 0.02 H new ATOM 0 HD21 ASN A 37 1.498 -2.377 21.899 1.00 0.02 H new ATOM 0 HD22 ASN A 37 2.515 -3.718 21.362 1.00 0.02 H new ATOM 581 N SER A 38 -0.731 -6.359 16.984 1.00 0.02 N ATOM 582 CA SER A 38 -0.760 -7.594 16.156 1.00 0.02 C ATOM 583 C SER A 38 -2.060 -7.579 15.355 1.00 0.01 C ATOM 584 O SER A 38 -3.033 -6.968 15.750 1.00 0.02 O ATOM 585 CB SER A 38 -0.686 -8.842 17.039 1.00 0.01 C ATOM 586 OG SER A 38 -1.482 -8.643 18.199 1.00 0.02 O ATOM 0 H SER A 38 -1.647 -5.953 17.176 1.00 0.02 H new ATOM 0 HA SER A 38 0.100 -7.621 15.487 1.00 0.02 H new ATOM 0 HB2 SER A 38 -1.038 -9.714 16.487 1.00 0.01 H new ATOM 0 HB3 SER A 38 0.348 -9.040 17.323 1.00 0.01 H new ATOM 0 HG SER A 38 -0.926 -8.746 18.999 1.00 0.02 H new ATOM 592 N ILE A 39 -2.084 -8.224 14.219 1.00 0.02 N ATOM 593 CA ILE A 39 -3.324 -8.218 13.379 1.00 0.02 C ATOM 594 C ILE A 39 -3.474 -9.563 12.671 1.00 0.02 C ATOM 595 O ILE A 39 -2.511 -10.196 12.290 1.00 0.02 O ATOM 596 CB ILE A 39 -3.212 -7.115 12.309 1.00 0.00 C ATOM 597 CG1 ILE A 39 -3.200 -5.736 12.987 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.410 -7.209 11.348 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.989 -4.642 11.937 1.00 0.00 C ATOM 0 H ILE A 39 -1.302 -8.754 13.835 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.186 -8.037 14.021 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.287 -7.247 11.748 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.140 -5.571 13.513 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -2.406 -5.695 13.733 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.331 -6.429 10.591 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.412 -8.186 10.864 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.336 -7.079 11.908 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.982 -3.667 12.424 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.037 -4.802 11.431 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.798 -4.677 11.207 1.00 0.00 H new ATOM 611 N ARG A 40 -4.699 -9.966 12.449 1.00 0.02 N ATOM 612 CA ARG A 40 -4.974 -11.233 11.709 1.00 0.02 C ATOM 613 C ARG A 40 -5.873 -10.884 10.525 1.00 0.01 C ATOM 614 O ARG A 40 -6.947 -10.347 10.703 1.00 0.02 O ATOM 615 CB ARG A 40 -5.688 -12.256 12.598 1.00 0.01 C ATOM 616 CG ARG A 40 -5.794 -13.589 11.857 1.00 0.02 C ATOM 617 CD ARG A 40 -6.615 -14.573 12.691 1.00 0.02 C ATOM 618 NE ARG A 40 -8.036 -14.127 12.729 1.00 0.02 N ATOM 619 CZ ARG A 40 -8.966 -14.953 13.121 1.00 0.02 C ATOM 620 NH1 ARG A 40 -8.653 -16.171 13.473 1.00 0.02 N ATOM 621 NH2 ARG A 40 -10.211 -14.564 13.160 1.00 0.02 N ATOM 0 H ARG A 40 -5.532 -9.463 12.754 1.00 0.02 H new ATOM 0 HA ARG A 40 -4.033 -11.676 11.384 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.140 -12.389 13.531 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.682 -11.894 12.861 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.263 -13.440 10.885 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -4.799 -13.994 11.672 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -6.548 -15.573 12.263 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -6.214 -14.632 13.703 1.00 0.02 H new ATOM 0 HE ARG A 40 -8.281 -13.177 12.449 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -7.680 -16.477 13.442 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -9.381 -16.816 13.779 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -10.457 -13.613 12.884 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -10.938 -15.210 13.467 1.00 0.02 H new ATOM 635 N VAL A 41 -5.481 -11.227 9.325 1.00 0.02 N ATOM 636 CA VAL A 41 -6.359 -10.964 8.149 1.00 0.01 C ATOM 637 C VAL A 41 -6.943 -12.309 7.732 1.00 0.02 C ATOM 638 O VAL A 41 -6.231 -13.196 7.309 1.00 0.02 O ATOM 639 CB VAL A 41 -5.553 -10.340 7.014 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.510 -9.929 5.892 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.836 -9.093 7.537 1.00 0.00 C ATOM 0 H VAL A 41 -4.591 -11.677 9.110 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.154 -10.261 8.397 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.824 -11.058 6.638 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.943 -9.482 5.076 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.041 -10.808 5.526 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.229 -9.204 6.274 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.257 -8.641 6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.572 -8.376 7.902 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.167 -9.372 8.351 1.00 0.00 H new ATOM 651 N GLU A 42 -8.230 -12.473 7.882 1.00 0.01 N ATOM 652 CA GLU A 42 -8.862 -13.778 7.534 1.00 0.01 C ATOM 653 C GLU A 42 -9.151 -13.827 6.043 1.00 0.02 C ATOM 654 O GLU A 42 -9.080 -14.874 5.429 1.00 0.01 O ATOM 655 CB GLU A 42 -10.168 -13.938 8.319 1.00 0.99 C ATOM 656 CG GLU A 42 -10.693 -15.372 8.178 1.00 1.86 C ATOM 657 CD GLU A 42 -11.304 -15.563 6.788 1.00 3.10 C ATOM 658 OE1 GLU A 42 -12.004 -14.668 6.344 1.00 3.67 O ATOM 659 OE2 GLU A 42 -11.060 -16.599 6.193 1.00 3.81 O ATOM 0 H GLU A 42 -8.871 -11.760 8.230 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.182 -14.590 7.793 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.001 -13.705 9.371 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.912 -13.232 7.951 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -9.881 -16.083 8.330 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -11.441 -15.573 8.945 1.00 1.86 H new ATOM 666 N GLY A 43 -9.488 -12.722 5.441 1.00 0.01 N ATOM 667 CA GLY A 43 -9.786 -12.769 3.984 1.00 0.02 C ATOM 668 C GLY A 43 -9.739 -11.373 3.385 1.00 0.02 C ATOM 669 O GLY A 43 -10.034 -10.399 4.047 1.00 0.02 O ATOM 0 H GLY A 43 -9.569 -11.806 5.883 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -9.064 -13.412 3.480 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.771 -13.207 3.822 1.00 0.02 H new ATOM 673 N GLY A 44 -9.397 -11.267 2.133 1.00 0.00 N ATOM 674 CA GLY A 44 -9.359 -9.926 1.496 1.00 0.01 C ATOM 675 C GLY A 44 -8.033 -9.234 1.808 1.00 0.01 C ATOM 676 O GLY A 44 -7.236 -9.704 2.597 1.00 0.01 O ATOM 0 H GLY A 44 -9.144 -12.047 1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.482 -10.024 0.417 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -10.189 -9.319 1.858 1.00 0.01 H new ATOM 680 N THR A 45 -7.822 -8.096 1.211 1.00 0.01 N ATOM 681 CA THR A 45 -6.584 -7.299 1.462 1.00 0.00 C ATOM 682 C THR A 45 -7.004 -6.057 2.255 1.00 0.01 C ATOM 683 O THR A 45 -8.165 -5.698 2.259 1.00 0.01 O ATOM 684 CB THR A 45 -5.938 -6.916 0.129 1.00 0.73 C ATOM 685 OG1 THR A 45 -5.498 -8.095 -0.531 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.737 -5.999 0.383 1.00 1.48 C ATOM 0 H THR A 45 -8.468 -7.673 0.545 1.00 0.01 H new ATOM 0 HA THR A 45 -5.847 -7.870 2.027 1.00 0.00 H new ATOM 0 HB THR A 45 -6.666 -6.394 -0.492 1.00 0.73 H new ATOM 0 HG1 THR A 45 -5.085 -7.856 -1.387 1.00 0.88 H new ATOM 0 HG21 THR A 45 -4.279 -5.728 -0.568 1.00 1.48 H new ATOM 0 HG22 THR A 45 -5.070 -5.097 0.896 1.00 1.48 H new ATOM 0 HG23 THR A 45 -4.006 -6.519 1.002 1.00 1.48 H new ATOM 694 N TRP A 46 -6.103 -5.388 2.929 1.00 0.02 N ATOM 695 CA TRP A 46 -6.523 -4.179 3.707 1.00 0.01 C ATOM 696 C TRP A 46 -5.407 -3.131 3.759 1.00 0.01 C ATOM 697 O TRP A 46 -4.237 -3.446 3.844 1.00 0.01 O ATOM 698 CB TRP A 46 -6.867 -4.603 5.136 1.00 0.00 C ATOM 699 CG TRP A 46 -8.094 -5.458 5.127 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.123 -6.773 4.809 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.465 -5.083 5.448 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.425 -7.229 4.914 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.290 -6.224 5.304 1.00 0.01 C ATOM 704 CE3 TRP A 46 -10.068 -3.875 5.846 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.664 -6.169 5.546 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.449 -3.816 6.091 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.246 -4.960 5.941 1.00 0.01 C ATOM 0 H TRP A 46 -5.111 -5.620 2.976 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.388 -3.738 3.212 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.033 -5.152 5.573 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.030 -3.723 5.757 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.270 -7.369 4.521 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.712 -8.190 4.726 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.464 -2.987 5.964 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.273 -7.053 5.429 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.900 -2.884 6.397 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.308 -4.908 6.130 1.00 0.01 H new ATOM 718 N ALA A 47 -5.787 -1.877 3.777 1.00 0.01 N ATOM 719 CA ALA A 47 -4.798 -0.764 3.904 1.00 0.01 C ATOM 720 C ALA A 47 -5.006 -0.200 5.306 1.00 0.01 C ATOM 721 O ALA A 47 -6.118 0.077 5.711 1.00 0.01 O ATOM 722 CB ALA A 47 -5.070 0.311 2.846 1.00 0.24 C ATOM 0 H ALA A 47 -6.758 -1.574 3.708 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.774 -1.106 3.753 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -4.342 1.116 2.950 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.986 -0.128 1.852 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -6.075 0.710 2.983 1.00 0.24 H new ATOM 728 N VAL A 48 -3.940 -0.013 6.045 1.00 0.01 N ATOM 729 CA VAL A 48 -4.054 0.552 7.427 1.00 0.02 C ATOM 730 C VAL A 48 -3.264 1.861 7.515 1.00 0.01 C ATOM 731 O VAL A 48 -2.222 2.004 6.903 1.00 0.01 O ATOM 732 CB VAL A 48 -3.507 -0.454 8.439 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.405 -1.692 8.465 1.00 0.48 C ATOM 734 CG2 VAL A 48 -2.088 -0.864 8.035 1.00 0.65 C ATOM 0 H VAL A 48 -2.988 -0.229 5.748 1.00 0.01 H new ATOM 0 HA VAL A 48 -5.102 0.752 7.651 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.487 0.002 9.429 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -4.015 -2.409 9.187 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.416 -1.402 8.752 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.425 -2.148 7.475 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.697 -1.582 8.756 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -2.109 -1.320 7.045 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.446 0.017 8.016 1.00 0.65 H new ATOM 744 N TYR A 49 -3.761 2.818 8.262 1.00 0.01 N ATOM 745 CA TYR A 49 -3.052 4.135 8.391 1.00 0.01 C ATOM 746 C TYR A 49 -2.709 4.400 9.857 1.00 0.01 C ATOM 747 O TYR A 49 -3.418 4.016 10.770 1.00 0.02 O ATOM 748 CB TYR A 49 -3.954 5.247 7.857 1.00 0.01 C ATOM 749 CG TYR A 49 -4.050 5.133 6.352 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.809 4.107 5.776 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.382 6.053 5.534 1.00 0.01 C ATOM 752 CE1 TYR A 49 -4.900 4.001 4.383 1.00 0.01 C ATOM 753 CE2 TYR A 49 -3.474 5.948 4.140 1.00 0.01 C ATOM 754 CZ TYR A 49 -4.233 4.921 3.565 1.00 0.02 C ATOM 755 OH TYR A 49 -4.324 4.815 2.192 1.00 0.01 O ATOM 0 H TYR A 49 -4.630 2.745 8.791 1.00 0.01 H new ATOM 0 HA TYR A 49 -2.128 4.109 7.814 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.946 5.172 8.303 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.552 6.222 8.135 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.324 3.397 6.406 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.796 6.844 5.978 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -5.485 3.209 3.939 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -2.960 6.658 3.509 1.00 0.01 H new ATOM 0 HH TYR A 49 -3.803 5.532 1.773 1.00 0.01 H new ATOM 765 N GLU A 50 -1.582 5.023 10.074 1.00 0.01 N ATOM 766 CA GLU A 50 -1.101 5.294 11.456 1.00 0.01 C ATOM 767 C GLU A 50 -2.012 6.288 12.184 1.00 0.01 C ATOM 768 O GLU A 50 -2.184 6.196 13.383 1.00 0.02 O ATOM 769 CB GLU A 50 0.314 5.879 11.369 1.00 0.02 C ATOM 770 CG GLU A 50 1.011 5.757 12.729 1.00 0.01 C ATOM 771 CD GLU A 50 1.494 4.317 12.935 1.00 0.02 C ATOM 772 OE1 GLU A 50 1.097 3.463 12.159 1.00 0.02 O ATOM 773 OE2 GLU A 50 2.254 4.093 13.864 1.00 0.01 O ATOM 0 H GLU A 50 -0.964 5.361 9.336 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.106 4.360 12.018 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.889 5.353 10.607 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.267 6.925 11.067 1.00 0.02 H new ATOM 0 HG2 GLU A 50 1.855 6.445 12.779 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.324 6.038 13.527 1.00 0.01 H new ATOM 780 N ARG A 51 -2.574 7.253 11.489 1.00 0.02 N ATOM 781 CA ARG A 51 -3.445 8.269 12.173 1.00 0.02 C ATOM 782 C ARG A 51 -4.831 8.290 11.498 1.00 0.01 C ATOM 783 O ARG A 51 -4.967 7.887 10.355 1.00 0.02 O ATOM 784 CB ARG A 51 -2.765 9.650 12.024 1.00 0.02 C ATOM 785 CG ARG A 51 -1.853 9.921 13.230 1.00 0.01 C ATOM 786 CD ARG A 51 -0.851 11.023 12.883 1.00 0.02 C ATOM 787 NE ARG A 51 -1.578 12.185 12.299 1.00 0.02 N ATOM 788 CZ ARG A 51 -0.982 13.343 12.189 1.00 0.02 C ATOM 789 NH1 ARG A 51 0.253 13.481 12.585 1.00 0.02 N ATOM 790 NH2 ARG A 51 -1.621 14.361 11.684 1.00 0.01 N ATOM 0 H ARG A 51 -2.468 7.381 10.483 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.573 8.023 13.227 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.182 9.680 11.103 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.522 10.431 11.948 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -2.452 10.219 14.091 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -1.324 9.010 13.510 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -0.308 11.331 13.777 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -0.112 10.648 12.175 1.00 0.02 H new ATOM 0 HE ARG A 51 -2.542 12.077 11.985 1.00 0.02 H new ATOM 0 HH11 ARG A 51 0.754 12.685 12.981 1.00 0.02 H new ATOM 0 HH12 ARG A 51 0.718 14.385 12.499 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -2.587 14.254 11.374 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -1.155 15.264 11.599 1.00 0.01 H new ATOM 804 N PRO A 52 -5.853 8.754 12.202 1.00 0.02 N ATOM 805 CA PRO A 52 -7.232 8.802 11.635 1.00 0.02 C ATOM 806 C PRO A 52 -7.305 9.531 10.289 1.00 0.01 C ATOM 807 O PRO A 52 -6.410 10.250 9.893 1.00 0.02 O ATOM 808 CB PRO A 52 -8.029 9.546 12.731 1.00 0.02 C ATOM 809 CG PRO A 52 -7.053 9.967 13.844 1.00 0.01 C ATOM 810 CD PRO A 52 -5.715 9.250 13.606 1.00 0.01 C ATOM 0 HA PRO A 52 -7.620 7.809 11.409 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.525 10.421 12.311 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -8.809 8.901 13.135 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -6.912 11.048 13.837 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.456 9.705 14.822 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -4.868 9.927 13.715 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.562 8.433 14.311 1.00 0.01 H new ATOM 818 N ASN A 53 -8.412 9.347 9.616 1.00 0.02 N ATOM 819 CA ASN A 53 -8.650 10.018 8.307 1.00 0.02 C ATOM 820 C ASN A 53 -7.650 9.547 7.255 1.00 0.01 C ATOM 821 O ASN A 53 -7.211 10.301 6.410 1.00 0.01 O ATOM 822 CB ASN A 53 -8.541 11.535 8.484 1.00 0.01 C ATOM 823 CG ASN A 53 -9.162 12.239 7.276 1.00 0.02 C ATOM 824 OD1 ASN A 53 -8.530 13.067 6.650 1.00 0.02 O ATOM 825 ND2 ASN A 53 -10.384 11.942 6.920 1.00 0.01 N ATOM 0 H ASN A 53 -9.176 8.747 9.928 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.651 9.756 7.963 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -9.050 11.842 9.398 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -7.495 11.825 8.589 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -10.808 12.405 6.116 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -10.914 11.247 7.446 1.00 0.01 H new ATOM 832 N PHE A 54 -7.313 8.286 7.292 1.00 0.02 N ATOM 833 CA PHE A 54 -6.371 7.721 6.290 1.00 0.01 C ATOM 834 C PHE A 54 -5.173 8.649 6.100 1.00 0.01 C ATOM 835 O PHE A 54 -4.820 9.017 4.997 1.00 0.02 O ATOM 836 CB PHE A 54 -7.115 7.530 4.963 1.00 1.78 C ATOM 837 CG PHE A 54 -8.531 7.075 5.247 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.752 5.888 5.955 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.621 7.840 4.807 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.060 5.465 6.223 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.928 7.416 5.076 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.147 6.229 5.784 1.00 3.39 C ATOM 0 H PHE A 54 -7.655 7.618 7.982 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.998 6.759 6.642 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -7.126 8.464 4.401 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.600 6.793 4.347 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -7.914 5.298 6.295 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.452 8.756 4.261 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.230 4.549 6.769 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.767 8.005 4.737 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.155 5.902 5.992 1.00 3.39 H new ATOM 852 N SER A 55 -4.553 9.025 7.191 1.00 0.02 N ATOM 853 CA SER A 55 -3.365 9.937 7.130 1.00 0.02 C ATOM 854 C SER A 55 -2.185 9.298 7.867 1.00 0.01 C ATOM 855 O SER A 55 -2.349 8.364 8.629 1.00 0.01 O ATOM 856 CB SER A 55 -3.725 11.262 7.803 1.00 1.90 C ATOM 857 OG SER A 55 -3.655 11.108 9.215 1.00 2.33 O ATOM 0 H SER A 55 -4.821 8.737 8.132 1.00 0.02 H new ATOM 0 HA SER A 55 -3.087 10.109 6.090 1.00 0.02 H new ATOM 0 HB2 SER A 55 -3.041 12.046 7.477 1.00 1.90 H new ATOM 0 HB3 SER A 55 -4.728 11.571 7.509 1.00 1.90 H new ATOM 0 HG SER A 55 -4.528 10.822 9.557 1.00 2.33 H new ATOM 863 N GLY A 56 -0.992 9.782 7.636 1.00 0.02 N ATOM 864 CA GLY A 56 0.205 9.195 8.309 1.00 0.02 C ATOM 865 C GLY A 56 0.752 8.034 7.468 1.00 0.02 C ATOM 866 O GLY A 56 0.468 7.928 6.292 1.00 0.00 O ATOM 0 H GLY A 56 -0.795 10.561 7.008 1.00 0.02 H new ATOM 0 HA2 GLY A 56 0.973 9.958 8.437 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.062 8.841 9.305 1.00 0.02 H new ATOM 870 N HIS A 57 1.544 7.175 8.049 1.00 0.02 N ATOM 871 CA HIS A 57 2.117 6.041 7.263 1.00 0.02 C ATOM 872 C HIS A 57 1.001 5.099 6.806 1.00 0.01 C ATOM 873 O HIS A 57 0.098 4.788 7.557 1.00 0.01 O ATOM 874 CB HIS A 57 3.106 5.267 8.137 1.00 0.00 C ATOM 875 CG HIS A 57 4.342 6.093 8.350 1.00 0.01 C ATOM 876 ND1 HIS A 57 5.298 6.258 7.361 1.00 0.01 N ATOM 877 CD2 HIS A 57 4.794 6.808 9.432 1.00 0.01 C ATOM 878 CE1 HIS A 57 6.268 7.044 7.862 1.00 0.02 C ATOM 879 NE2 HIS A 57 6.010 7.407 9.121 1.00 0.01 N ATOM 0 H HIS A 57 1.820 7.207 9.031 1.00 0.02 H new ATOM 0 HA HIS A 57 2.629 6.439 6.387 1.00 0.02 H new ATOM 0 HB2 HIS A 57 2.648 5.025 9.096 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.366 4.322 7.661 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.283 6.892 10.380 1.00 0.01 H new ATOM 0 HE1 HIS A 57 7.148 7.345 7.313 1.00 0.02 H new ATOM 0 HE2 HIS A 57 6.582 7.997 9.725 1.00 0.01 H new ATOM 887 N MET A 58 1.069 4.632 5.578 1.00 0.02 N ATOM 888 CA MET A 58 0.027 3.692 5.050 1.00 0.02 C ATOM 889 C MET A 58 0.694 2.362 4.679 1.00 0.01 C ATOM 890 O MET A 58 1.752 2.333 4.081 1.00 0.01 O ATOM 891 CB MET A 58 -0.629 4.306 3.808 1.00 2.61 C ATOM 892 CG MET A 58 0.374 4.341 2.652 1.00 3.46 C ATOM 893 SD MET A 58 -0.228 5.455 1.359 1.00 4.50 S ATOM 894 CE MET A 58 -1.353 4.287 0.555 1.00 5.01 C ATOM 0 H MET A 58 1.808 4.865 4.915 1.00 0.02 H new ATOM 0 HA MET A 58 -0.735 3.518 5.810 1.00 0.02 H new ATOM 0 HB2 MET A 58 -1.505 3.723 3.523 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.976 5.315 4.031 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.347 4.677 3.011 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.512 3.339 2.247 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.788 4.751 -0.330 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.801 3.394 0.262 1.00 5.01 H new ATOM 0 HE3 MET A 58 -2.148 4.011 1.248 1.00 5.01 H new ATOM 904 N TYR A 59 0.085 1.265 5.044 1.00 0.02 N ATOM 905 CA TYR A 59 0.670 -0.082 4.739 1.00 0.01 C ATOM 906 C TYR A 59 -0.422 -1.014 4.198 1.00 0.01 C ATOM 907 O TYR A 59 -1.542 -1.031 4.671 1.00 0.02 O ATOM 908 CB TYR A 59 1.243 -0.681 6.025 1.00 0.01 C ATOM 909 CG TYR A 59 2.554 -0.005 6.356 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.698 -0.294 5.603 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.627 0.910 7.414 1.00 0.01 C ATOM 912 CE1 TYR A 59 4.914 0.329 5.907 1.00 0.02 C ATOM 913 CE2 TYR A 59 3.842 1.533 7.719 1.00 0.01 C ATOM 914 CZ TYR A 59 4.986 1.243 6.966 1.00 0.01 C ATOM 915 OH TYR A 59 6.184 1.859 7.269 1.00 0.01 O ATOM 0 H TYR A 59 -0.803 1.241 5.546 1.00 0.02 H new ATOM 0 HA TYR A 59 1.456 0.027 3.992 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.537 -0.551 6.845 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.395 -1.753 5.903 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.642 -0.999 4.786 1.00 0.01 H new ATOM 0 HD2 TYR A 59 1.745 1.135 7.995 1.00 0.01 H new ATOM 0 HE1 TYR A 59 5.796 0.105 5.325 1.00 0.02 H new ATOM 0 HE2 TYR A 59 3.897 2.238 8.535 1.00 0.01 H new ATOM 0 HH TYR A 59 6.058 2.464 8.030 1.00 0.01 H new ATOM 925 N ILE A 60 -0.078 -1.802 3.209 1.00 0.02 N ATOM 926 CA ILE A 60 -1.053 -2.766 2.614 1.00 0.01 C ATOM 927 C ILE A 60 -0.855 -4.135 3.280 1.00 0.01 C ATOM 928 O ILE A 60 0.257 -4.601 3.429 1.00 0.01 O ATOM 929 CB ILE A 60 -0.804 -2.877 1.102 1.00 0.45 C ATOM 930 CG1 ILE A 60 -1.363 -1.637 0.393 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.507 -4.125 0.547 1.00 1.21 C ATOM 932 CD1 ILE A 60 -0.760 -0.366 0.996 1.00 1.72 C ATOM 0 H ILE A 60 0.849 -1.818 2.784 1.00 0.02 H new ATOM 0 HA ILE A 60 -2.074 -2.421 2.779 1.00 0.01 H new ATOM 0 HB ILE A 60 0.269 -2.951 0.927 1.00 0.45 H new ATOM 0 HG12 ILE A 60 -1.137 -1.685 -0.672 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -2.449 -1.613 0.488 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.326 -4.198 -0.525 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.115 -5.014 1.042 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.579 -4.050 0.730 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -1.165 0.507 0.484 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -1.009 -0.313 2.056 1.00 1.72 H new ATOM 0 HD13 ILE A 60 0.323 -0.386 0.878 1.00 1.72 H new ATOM 944 N LEU A 61 -1.925 -4.765 3.700 1.00 0.01 N ATOM 945 CA LEU A 61 -1.815 -6.097 4.387 1.00 0.01 C ATOM 946 C LEU A 61 -2.565 -7.189 3.573 1.00 0.01 C ATOM 947 O LEU A 61 -3.778 -7.167 3.514 1.00 0.00 O ATOM 948 CB LEU A 61 -2.470 -5.966 5.794 1.00 0.01 C ATOM 949 CG LEU A 61 -1.428 -6.167 6.911 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.989 -5.671 8.246 1.00 0.01 C ATOM 951 CD2 LEU A 61 -1.094 -7.654 7.042 1.00 0.01 C ATOM 0 H LEU A 61 -2.877 -4.414 3.597 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.767 -6.385 4.470 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.930 -4.983 5.894 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -3.266 -6.703 5.898 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.530 -5.603 6.657 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -1.246 -5.817 9.030 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.231 -4.611 8.168 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.891 -6.231 8.492 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -0.357 -7.793 7.833 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -1.999 -8.210 7.288 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -0.688 -8.020 6.099 1.00 0.01 H new ATOM 963 N PRO A 62 -1.884 -8.156 2.970 1.00 0.02 N ATOM 964 CA PRO A 62 -2.601 -9.237 2.234 1.00 0.01 C ATOM 965 C PRO A 62 -3.168 -10.262 3.231 1.00 0.00 C ATOM 966 O PRO A 62 -2.829 -10.245 4.398 1.00 0.02 O ATOM 967 CB PRO A 62 -1.485 -9.842 1.370 1.00 1.47 C ATOM 968 CG PRO A 62 -0.136 -9.420 1.983 1.00 1.29 C ATOM 969 CD PRO A 62 -0.392 -8.247 2.952 1.00 0.82 C ATOM 0 HA PRO A 62 -3.453 -8.896 1.646 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.569 -10.928 1.342 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.564 -9.490 0.341 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.320 -10.257 2.512 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.560 -9.121 1.200 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.014 -8.445 3.944 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.066 -7.323 2.599 1.00 0.82 H new ATOM 977 N GLN A 63 -4.025 -11.150 2.795 1.00 0.02 N ATOM 978 CA GLN A 63 -4.600 -12.156 3.737 1.00 0.00 C ATOM 979 C GLN A 63 -3.481 -12.896 4.474 1.00 0.00 C ATOM 980 O GLN A 63 -2.464 -13.222 3.896 1.00 0.02 O ATOM 981 CB GLN A 63 -5.432 -13.167 2.939 1.00 1.27 C ATOM 982 CG GLN A 63 -6.245 -14.052 3.891 1.00 1.67 C ATOM 983 CD GLN A 63 -5.328 -15.087 4.546 1.00 2.43 C ATOM 984 OE1 GLN A 63 -4.656 -15.835 3.866 1.00 4.25 O ATOM 985 NE2 GLN A 63 -5.274 -15.163 5.850 1.00 3.04 N ATOM 0 H GLN A 63 -4.350 -11.222 1.831 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.226 -11.644 4.468 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.102 -12.641 2.258 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -4.776 -13.786 2.326 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -6.721 -13.438 4.656 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -7.043 -14.554 3.344 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -5.839 -14.534 6.421 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -4.667 -15.851 6.296 1.00 3.04 H new ATOM 994 N GLY A 64 -3.653 -13.176 5.746 1.00 0.02 N ATOM 995 CA GLY A 64 -2.584 -13.907 6.487 1.00 0.01 C ATOM 996 C GLY A 64 -2.661 -13.604 7.987 1.00 0.02 C ATOM 997 O GLY A 64 -3.534 -12.902 8.458 1.00 0.02 O ATOM 0 H GLY A 64 -4.478 -12.932 6.294 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.688 -14.979 6.322 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.606 -13.619 6.102 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.737 -14.136 8.743 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.718 -13.901 10.222 1.00 0.02 C ATOM 1003 C GLU A 65 -0.422 -13.184 10.593 1.00 0.02 C ATOM 1004 O GLU A 65 0.661 -13.605 10.240 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.778 -15.258 10.937 1.00 0.77 C ATOM 1006 CG GLU A 65 -1.552 -15.085 12.445 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.529 -14.047 13.004 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -2.280 -12.866 12.822 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -3.509 -14.452 13.608 1.00 0.96 O ATOM 0 H GLU A 65 -0.984 -14.731 8.397 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.570 -13.290 10.520 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.747 -15.726 10.760 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -1.022 -15.926 10.525 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -1.691 -16.039 12.954 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -0.526 -14.770 12.634 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.539 -12.107 11.325 1.00 0.02 N ATOM 1017 CA TYR A 66 0.657 -11.333 11.767 1.00 0.02 C ATOM 1018 C TYR A 66 0.656 -11.316 13.308 1.00 0.02 C ATOM 1019 O TYR A 66 -0.042 -10.520 13.909 1.00 0.02 O ATOM 1020 CB TYR A 66 0.527 -9.909 11.225 1.00 0.01 C ATOM 1021 CG TYR A 66 0.523 -9.970 9.715 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.624 -10.404 9.039 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.666 -9.608 8.992 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.627 -10.474 7.641 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.663 -9.680 7.594 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.516 -10.114 6.919 1.00 0.02 C ATOM 1027 OH TYR A 66 0.512 -10.185 5.541 1.00 0.01 O ATOM 0 H TYR A 66 -1.431 -11.725 11.641 1.00 0.02 H new ATOM 0 HA TYR A 66 1.584 -11.775 11.402 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.391 -9.448 11.588 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.354 -9.293 11.577 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.506 -10.685 9.596 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.551 -9.273 9.513 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.512 -10.806 7.119 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.545 -9.401 7.037 1.00 0.02 H new ATOM 0 HH TYR A 66 1.384 -9.899 5.196 1.00 0.01 H new ATOM 1037 N PRO A 67 1.392 -12.201 13.960 1.00 0.01 N ATOM 1038 CA PRO A 67 1.383 -12.243 15.449 1.00 0.02 C ATOM 1039 C PRO A 67 2.044 -11.023 16.108 1.00 0.02 C ATOM 1040 O PRO A 67 2.023 -10.890 17.315 1.00 0.02 O ATOM 1041 CB PRO A 67 2.156 -13.544 15.762 1.00 0.02 C ATOM 1042 CG PRO A 67 2.729 -14.105 14.443 1.00 0.02 C ATOM 1043 CD PRO A 67 2.262 -13.206 13.281 1.00 0.01 C ATOM 0 HA PRO A 67 0.369 -12.222 15.848 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.961 -13.345 16.470 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.495 -14.274 16.228 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.818 -14.133 14.485 1.00 0.02 H new ATOM 0 HG3 PRO A 67 2.390 -15.129 14.289 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.103 -12.734 12.773 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.713 -13.772 12.529 1.00 0.01 H new ATOM 1051 N GLU A 68 2.610 -10.120 15.352 1.00 0.01 N ATOM 1052 CA GLU A 68 3.236 -8.921 15.982 1.00 0.01 C ATOM 1053 C GLU A 68 3.286 -7.810 14.934 1.00 0.03 C ATOM 1054 O GLU A 68 3.266 -8.051 13.743 1.00 0.02 O ATOM 1055 CB GLU A 68 4.668 -9.244 16.432 1.00 0.69 C ATOM 1056 CG GLU A 68 4.645 -10.252 17.582 1.00 1.09 C ATOM 1057 CD GLU A 68 6.025 -10.313 18.238 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.906 -9.598 17.790 1.00 2.02 O ATOM 1059 OE2 GLU A 68 6.178 -11.076 19.178 1.00 1.55 O ATOM 0 H GLU A 68 2.666 -10.159 14.334 1.00 0.01 H new ATOM 0 HA GLU A 68 2.654 -8.615 16.851 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.237 -9.649 15.595 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.172 -8.331 16.749 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.894 -9.963 18.317 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.364 -11.237 17.210 1.00 1.09 H new ATOM 1066 N TYR A 69 3.302 -6.586 15.383 1.00 0.02 N ATOM 1067 CA TYR A 69 3.286 -5.445 14.430 1.00 0.02 C ATOM 1068 C TYR A 69 4.505 -5.469 13.504 1.00 0.01 C ATOM 1069 O TYR A 69 4.413 -5.146 12.339 1.00 0.01 O ATOM 1070 CB TYR A 69 3.202 -4.120 15.200 1.00 0.02 C ATOM 1071 CG TYR A 69 4.456 -3.903 16.014 1.00 0.02 C ATOM 1072 CD1 TYR A 69 4.536 -4.396 17.322 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.533 -3.198 15.465 1.00 0.02 C ATOM 1074 CE1 TYR A 69 5.693 -4.185 18.080 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.692 -2.987 16.223 1.00 0.02 C ATOM 1076 CZ TYR A 69 6.772 -3.480 17.531 1.00 0.02 C ATOM 1077 OH TYR A 69 7.913 -3.272 18.279 1.00 0.01 O ATOM 0 H TYR A 69 3.325 -6.328 16.370 1.00 0.02 H new ATOM 0 HA TYR A 69 2.403 -5.539 13.798 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.067 -3.294 14.502 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.332 -4.128 15.856 1.00 0.02 H new ATOM 0 HD1 TYR A 69 3.704 -4.939 17.746 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.471 -2.816 14.457 1.00 0.02 H new ATOM 0 HE1 TYR A 69 5.754 -4.566 19.089 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.524 -2.444 15.799 1.00 0.02 H new ATOM 0 HH TYR A 69 8.564 -2.767 17.749 1.00 0.01 H new ATOM 1087 N GLN A 70 5.648 -5.847 14.009 1.00 0.01 N ATOM 1088 CA GLN A 70 6.872 -5.895 13.157 1.00 0.02 C ATOM 1089 C GLN A 70 6.675 -6.873 11.989 1.00 0.01 C ATOM 1090 O GLN A 70 7.310 -6.769 10.958 1.00 0.02 O ATOM 1091 CB GLN A 70 8.054 -6.369 14.005 1.00 0.01 C ATOM 1092 CG GLN A 70 8.235 -5.434 15.200 1.00 0.01 C ATOM 1093 CD GLN A 70 9.458 -5.870 16.008 1.00 0.02 C ATOM 1094 OE1 GLN A 70 10.214 -5.044 16.481 1.00 0.01 O ATOM 1095 NE2 GLN A 70 9.684 -7.142 16.189 1.00 0.02 N ATOM 0 H GLN A 70 5.788 -6.126 14.980 1.00 0.01 H new ATOM 0 HA GLN A 70 7.064 -4.898 12.759 1.00 0.02 H new ATOM 0 HB2 GLN A 70 7.881 -7.388 14.351 1.00 0.01 H new ATOM 0 HB3 GLN A 70 8.963 -6.386 13.403 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.360 -4.407 14.856 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.345 -5.453 15.829 1.00 0.01 H new ATOM 0 HE21 GLN A 70 9.049 -7.834 15.792 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.496 -7.444 16.728 1.00 0.02 H new ATOM 1104 N ARG A 71 5.787 -7.819 12.151 1.00 0.01 N ATOM 1105 CA ARG A 71 5.534 -8.801 11.057 1.00 0.02 C ATOM 1106 C ARG A 71 4.818 -8.080 9.917 1.00 0.01 C ATOM 1107 O ARG A 71 4.784 -8.530 8.790 1.00 0.02 O ATOM 1108 CB ARG A 71 4.666 -9.951 11.579 1.00 0.34 C ATOM 1109 CG ARG A 71 4.677 -11.118 10.576 1.00 0.72 C ATOM 1110 CD ARG A 71 5.966 -11.962 10.728 1.00 1.04 C ATOM 1111 NE ARG A 71 6.573 -12.219 9.381 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.844 -12.625 8.371 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.580 -12.901 8.537 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.389 -12.776 7.195 1.00 3.42 N ATOM 0 H ARG A 71 5.227 -7.953 12.993 1.00 0.01 H new ATOM 0 HA ARG A 71 6.477 -9.215 10.700 1.00 0.02 H new ATOM 0 HB2 ARG A 71 5.039 -10.289 12.546 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.644 -9.604 11.735 1.00 0.34 H new ATOM 0 HG2 ARG A 71 3.803 -11.749 10.736 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.609 -10.730 9.560 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.680 -11.439 11.364 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.736 -12.908 11.219 1.00 1.04 H new ATOM 0 HE ARG A 71 7.574 -12.075 9.248 1.00 1.67 H new ATOM 0 HH11 ARG A 71 4.153 -12.801 9.458 1.00 2.54 H new ATOM 0 HH12 ARG A 71 4.019 -13.217 7.746 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.381 -12.578 7.063 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.823 -13.092 6.407 1.00 3.42 H new ATOM 1128 N TRP A 72 4.246 -6.947 10.226 1.00 0.02 N ATOM 1129 CA TRP A 72 3.511 -6.138 9.211 1.00 0.01 C ATOM 1130 C TRP A 72 4.384 -4.919 8.884 1.00 0.01 C ATOM 1131 O TRP A 72 3.969 -3.982 8.235 1.00 0.02 O ATOM 1132 CB TRP A 72 2.148 -5.755 9.839 1.00 0.02 C ATOM 1133 CG TRP A 72 1.682 -4.392 9.432 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.387 -4.009 8.172 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.430 -3.236 10.283 1.00 0.02 C ATOM 1136 NE1 TRP A 72 0.973 -2.692 8.195 1.00 0.02 N ATOM 1137 CE2 TRP A 72 0.984 -2.171 9.472 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.547 -3.013 11.667 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.664 -0.925 10.013 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.225 -1.762 12.216 1.00 0.02 C ATOM 1141 CH2 TRP A 72 0.785 -0.719 11.389 1.00 0.02 C ATOM 0 H TRP A 72 4.258 -6.540 11.161 1.00 0.02 H new ATOM 0 HA TRP A 72 3.317 -6.671 8.280 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.399 -6.492 9.547 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.230 -5.796 10.925 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.462 -4.630 7.291 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.693 -2.167 7.367 1.00 0.02 H new ATOM 0 HE3 TRP A 72 1.887 -3.810 12.312 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.325 -0.125 9.372 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.317 -1.602 13.280 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.540 0.243 11.815 1.00 0.02 H new ATOM 1152 N MET A 73 5.605 -4.953 9.344 1.00 0.02 N ATOM 1153 CA MET A 73 6.558 -3.836 9.096 1.00 0.02 C ATOM 1154 C MET A 73 6.007 -2.529 9.677 1.00 0.01 C ATOM 1155 O MET A 73 6.391 -1.445 9.283 1.00 0.02 O ATOM 1156 CB MET A 73 6.803 -3.672 7.589 1.00 0.02 C ATOM 1157 CG MET A 73 7.265 -5.004 6.979 1.00 0.01 C ATOM 1158 SD MET A 73 5.822 -6.010 6.556 1.00 0.01 S ATOM 1159 CE MET A 73 6.617 -7.625 6.730 1.00 0.01 C ATOM 0 H MET A 73 5.988 -5.723 9.892 1.00 0.02 H new ATOM 0 HA MET A 73 7.503 -4.071 9.586 1.00 0.02 H new ATOM 0 HB2 MET A 73 5.889 -3.337 7.099 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.557 -2.904 7.417 1.00 0.02 H new ATOM 0 HG2 MET A 73 7.866 -4.819 6.088 1.00 0.01 H new ATOM 0 HG3 MET A 73 7.899 -5.539 7.686 1.00 0.01 H new ATOM 0 HE1 MET A 73 5.890 -8.412 6.528 1.00 0.01 H new ATOM 0 HE2 MET A 73 7.442 -7.703 6.022 1.00 0.01 H new ATOM 0 HE3 MET A 73 6.998 -7.735 7.745 1.00 0.01 H new ATOM 1169 N GLY A 74 5.108 -2.634 10.621 1.00 0.02 N ATOM 1170 CA GLY A 74 4.531 -1.410 11.238 1.00 0.02 C ATOM 1171 C GLY A 74 5.657 -0.598 11.869 1.00 0.01 C ATOM 1172 O GLY A 74 6.593 -1.144 12.417 1.00 0.01 O ATOM 0 H GLY A 74 4.751 -3.516 10.989 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.014 -0.816 10.485 1.00 0.02 H new ATOM 0 HA3 GLY A 74 3.792 -1.680 11.993 1.00 0.02 H new ATOM 1176 N LEU A 75 5.560 0.702 11.832 1.00 0.02 N ATOM 1177 CA LEU A 75 6.616 1.536 12.471 1.00 0.02 C ATOM 1178 C LEU A 75 6.358 1.529 13.986 1.00 0.01 C ATOM 1179 O LEU A 75 7.267 1.596 14.788 1.00 0.02 O ATOM 1180 CB LEU A 75 6.556 2.967 11.898 1.00 0.55 C ATOM 1181 CG LEU A 75 7.961 3.579 11.828 1.00 0.58 C ATOM 1182 CD1 LEU A 75 7.881 4.965 11.180 1.00 0.98 C ATOM 1183 CD2 LEU A 75 8.541 3.708 13.243 1.00 0.42 C ATOM 0 H LEU A 75 4.801 1.220 11.390 1.00 0.02 H new ATOM 0 HA LEU A 75 7.612 1.141 12.269 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.112 2.948 10.903 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.913 3.588 12.522 1.00 0.55 H new ATOM 0 HG LEU A 75 8.607 2.934 11.232 1.00 0.58 H new ATOM 0 HD11 LEU A 75 8.879 5.401 11.130 1.00 0.98 H new ATOM 0 HD12 LEU A 75 7.474 4.873 10.173 1.00 0.98 H new ATOM 0 HD13 LEU A 75 7.233 5.608 11.776 1.00 0.98 H new ATOM 0 HD21 LEU A 75 9.539 4.143 13.189 1.00 0.42 H new ATOM 0 HD22 LEU A 75 7.897 4.351 13.843 1.00 0.42 H new ATOM 0 HD23 LEU A 75 8.600 2.722 13.703 1.00 0.42 H new ATOM 1195 N ASN A 76 5.115 1.413 14.374 1.00 0.01 N ATOM 1196 CA ASN A 76 4.745 1.357 15.813 1.00 0.02 C ATOM 1197 C ASN A 76 3.387 0.655 15.886 1.00 0.02 C ATOM 1198 O ASN A 76 2.904 0.144 14.895 1.00 0.02 O ATOM 1199 CB ASN A 76 4.642 2.777 16.375 1.00 0.02 C ATOM 1200 CG ASN A 76 4.324 2.716 17.870 1.00 0.02 C ATOM 1201 OD1 ASN A 76 3.324 3.246 18.312 1.00 0.01 O ATOM 1202 ND2 ASN A 76 5.137 2.084 18.672 1.00 0.02 N ATOM 0 H ASN A 76 4.323 1.353 13.734 1.00 0.01 H new ATOM 0 HA ASN A 76 5.492 0.821 16.398 1.00 0.02 H new ATOM 0 HB2 ASN A 76 5.578 3.311 16.214 1.00 0.02 H new ATOM 0 HB3 ASN A 76 3.864 3.331 15.850 1.00 0.02 H new ATOM 0 HD21 ASN A 76 4.933 2.035 19.670 1.00 0.02 H new ATOM 0 HD22 ASN A 76 5.976 1.639 18.301 1.00 0.02 H new ATOM 1209 N ASP A 77 2.761 0.610 17.033 1.00 0.01 N ATOM 1210 CA ASP A 77 1.435 -0.081 17.131 1.00 0.01 C ATOM 1211 C ASP A 77 0.301 0.942 17.036 1.00 0.01 C ATOM 1212 O ASP A 77 -0.774 0.733 17.566 1.00 0.01 O ATOM 1213 CB ASP A 77 1.341 -0.801 18.478 1.00 0.01 C ATOM 1214 CG ASP A 77 1.659 0.180 19.607 1.00 0.01 C ATOM 1215 OD1 ASP A 77 1.813 1.355 19.317 1.00 0.01 O ATOM 1216 OD2 ASP A 77 1.742 -0.260 20.742 1.00 0.02 O ATOM 0 H ASP A 77 3.105 1.018 17.902 1.00 0.01 H new ATOM 0 HA ASP A 77 1.346 -0.797 16.314 1.00 0.01 H new ATOM 0 HB2 ASP A 77 0.341 -1.214 18.612 1.00 0.01 H new ATOM 0 HB3 ASP A 77 2.038 -1.639 18.503 1.00 0.01 H new ATOM 1221 N ARG A 78 0.525 2.052 16.376 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.546 3.090 16.273 1.00 0.01 C ATOM 1223 C ARG A 78 -1.316 2.936 14.962 1.00 0.02 C ATOM 1224 O ARG A 78 -0.754 2.996 13.887 1.00 0.02 O ATOM 1225 CB ARG A 78 0.084 4.483 16.346 1.00 0.43 C ATOM 1226 CG ARG A 78 -1.010 5.527 16.575 1.00 0.80 C ATOM 1227 CD ARG A 78 -0.385 6.922 16.615 1.00 1.00 C ATOM 1228 NE ARG A 78 0.821 6.901 17.489 1.00 1.30 N ATOM 1229 CZ ARG A 78 1.678 7.882 17.439 1.00 2.30 C ATOM 1230 NH1 ARG A 78 1.479 8.881 16.626 1.00 2.72 N ATOM 1231 NH2 ARG A 78 2.734 7.864 18.202 1.00 3.20 N ATOM 0 H ARG A 78 1.400 2.283 15.906 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.243 2.962 17.101 1.00 0.01 H new ATOM 0 HB2 ARG A 78 0.813 4.522 17.155 1.00 0.43 H new ATOM 0 HB3 ARG A 78 0.621 4.700 15.422 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -1.752 5.472 15.778 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -1.531 5.324 17.510 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -0.112 7.239 15.608 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -1.108 7.645 16.992 1.00 1.00 H new ATOM 0 HE ARG A 78 0.976 6.120 18.126 1.00 1.30 H new ATOM 0 HH11 ARG A 78 0.652 8.895 16.029 1.00 2.72 H new ATOM 0 HH12 ARG A 78 2.150 9.648 16.587 1.00 2.72 H new ATOM 0 HH21 ARG A 78 2.890 7.082 18.838 1.00 3.20 H new ATOM 0 HH22 ARG A 78 3.405 8.632 18.163 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.606 2.763 15.046 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.445 2.633 13.819 1.00 0.01 C ATOM 1247 C LEU A 79 -4.784 3.315 14.104 1.00 0.01 C ATOM 1248 O LEU A 79 -5.473 2.969 15.044 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.664 1.151 13.502 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.396 0.558 12.867 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.587 -0.953 12.700 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -2.118 1.211 11.492 1.00 2.61 C ATOM 0 H LEU A 79 -3.122 2.705 15.924 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.957 3.098 12.962 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.912 0.608 14.414 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.509 1.037 12.823 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.542 0.756 13.515 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.693 -1.385 12.250 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.759 -1.408 13.675 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.445 -1.142 12.055 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -1.216 0.778 11.059 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.962 1.032 10.827 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.979 2.284 11.620 1.00 2.61 H new ATOM 1264 N GLY A 80 -5.137 4.316 13.331 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.412 5.069 13.592 1.00 0.02 C ATOM 1266 C GLY A 80 -7.501 4.756 12.558 1.00 0.02 C ATOM 1267 O GLY A 80 -8.661 5.034 12.786 1.00 0.01 O ATOM 0 H GLY A 80 -4.599 4.646 12.530 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.779 4.821 14.588 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -6.206 6.139 13.585 1.00 0.02 H new ATOM 1271 N SER A 81 -7.168 4.185 11.432 1.00 0.01 N ATOM 1272 CA SER A 81 -8.234 3.881 10.428 1.00 0.01 C ATOM 1273 C SER A 81 -7.789 2.746 9.514 1.00 0.02 C ATOM 1274 O SER A 81 -6.613 2.495 9.329 1.00 0.01 O ATOM 1275 CB SER A 81 -8.515 5.124 9.586 1.00 0.01 C ATOM 1276 OG SER A 81 -8.867 6.195 10.442 1.00 0.01 O ATOM 0 H SER A 81 -6.221 3.919 11.164 1.00 0.01 H new ATOM 0 HA SER A 81 -9.139 3.581 10.957 1.00 0.01 H new ATOM 0 HB2 SER A 81 -7.635 5.386 8.998 1.00 0.01 H new ATOM 0 HB3 SER A 81 -9.322 4.926 8.881 1.00 0.01 H new ATOM 0 HG SER A 81 -9.828 6.373 10.365 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.740 2.059 8.935 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.406 0.933 8.014 1.00 0.01 C ATOM 1284 C CYS A 82 -9.421 0.892 6.871 1.00 0.01 C ATOM 1285 O CYS A 82 -10.581 1.207 7.044 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.443 -0.392 8.778 1.00 0.01 C ATOM 1287 SG CYS A 82 -10.006 -0.525 9.679 1.00 0.02 S ATOM 0 H CYS A 82 -9.737 2.231 9.062 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.405 1.085 7.609 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -8.338 -1.227 8.085 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.605 -0.447 9.472 1.00 0.01 H new ATOM 0 HG CYS A 82 -10.945 0.074 9.009 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.992 0.495 5.704 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.923 0.418 4.533 1.00 0.01 C ATOM 1295 C ARG A 83 -9.690 -0.901 3.804 1.00 0.01 C ATOM 1296 O ARG A 83 -8.571 -1.347 3.641 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.620 1.561 3.562 1.00 0.01 C ATOM 1298 CG ARG A 83 -10.024 2.895 4.190 1.00 0.01 C ATOM 1299 CD ARG A 83 -9.819 4.017 3.170 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.490 3.856 2.519 1.00 0.01 N ATOM 1301 CZ ARG A 83 -8.223 4.499 1.414 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -9.127 5.275 0.876 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -7.055 4.364 0.842 1.00 0.01 N ATOM 0 H ARG A 83 -8.030 0.218 5.506 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.953 0.488 4.883 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.558 1.571 3.317 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -10.161 1.410 2.628 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -11.067 2.861 4.505 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -9.427 3.086 5.082 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -10.609 3.990 2.420 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -9.880 4.987 3.663 1.00 0.01 H new ATOM 0 HE ARG A 83 -7.788 3.244 2.936 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -10.040 5.378 1.319 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -8.919 5.778 0.013 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -6.350 3.756 1.259 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -6.849 4.867 -0.021 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.740 -1.532 3.355 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.574 -2.817 2.634 1.00 0.01 C ATOM 1319 C ALA A 84 -10.115 -2.514 1.212 1.00 0.01 C ATOM 1320 O ALA A 84 -10.695 -1.707 0.513 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.908 -3.563 2.580 1.00 0.43 C ATOM 0 H ALA A 84 -11.703 -1.211 3.458 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.841 -3.437 3.151 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.777 -4.506 2.049 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.254 -3.763 3.594 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.645 -2.953 2.059 1.00 0.43 H new ATOM 1327 N VAL A 85 -9.086 -3.176 0.779 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.583 -2.962 -0.604 1.00 0.01 C ATOM 1329 C VAL A 85 -9.260 -3.979 -1.527 1.00 0.01 C ATOM 1330 O VAL A 85 -9.217 -5.171 -1.290 1.00 0.01 O ATOM 1331 CB VAL A 85 -7.068 -3.137 -0.632 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.542 -2.804 -2.025 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.424 -2.194 0.388 1.00 1.12 C ATOM 0 H VAL A 85 -8.566 -3.862 1.326 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.816 -1.952 -0.942 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.820 -4.169 -0.384 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.459 -2.929 -2.045 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.998 -3.472 -2.755 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.792 -1.772 -2.271 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -5.341 -2.320 0.367 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.674 -1.163 0.139 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.797 -2.427 1.385 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.893 -3.520 -2.571 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.585 -4.455 -3.504 1.00 0.01 C ATOM 1345 C HIS A 86 -9.611 -4.869 -4.603 1.00 0.01 C ATOM 1346 O HIS A 86 -8.894 -4.061 -5.155 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.787 -3.743 -4.130 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.538 -2.994 -3.063 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -13.208 -3.644 -2.039 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -12.732 -1.652 -2.847 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -13.770 -2.701 -1.260 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.510 -1.470 -1.707 1.00 1.71 N ATOM 0 H HIS A 86 -9.961 -2.533 -2.820 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.926 -5.337 -2.963 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.452 -3.054 -4.905 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.443 -4.469 -4.610 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -12.341 -0.859 -3.467 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -14.359 -2.914 -0.381 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -13.816 -0.586 -1.300 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.589 -6.139 -4.919 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.673 -6.656 -5.981 1.00 0.01 C ATOM 1362 C LEU A 87 -9.462 -6.828 -7.277 1.00 0.01 C ATOM 1363 O LEU A 87 -10.573 -7.318 -7.272 1.00 0.01 O ATOM 1364 CB LEU A 87 -8.112 -8.019 -5.540 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.840 -8.009 -4.032 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.187 -9.330 -3.628 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.904 -6.847 -3.679 1.00 1.34 C ATOM 0 H LEU A 87 -10.175 -6.849 -4.480 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.853 -5.956 -6.140 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.821 -8.810 -5.785 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -7.192 -8.236 -6.083 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.781 -7.885 -3.496 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -6.992 -9.326 -2.556 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.855 -10.156 -3.873 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.248 -9.451 -4.167 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.715 -6.846 -2.606 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.961 -6.964 -4.214 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.370 -5.904 -3.967 1.00 1.34 H new ATOM 1379 N SER A 88 -8.883 -6.452 -8.393 1.00 0.01 N ATOM 1380 CA SER A 88 -9.567 -6.610 -9.712 1.00 0.01 C ATOM 1381 C SER A 88 -8.806 -7.645 -10.543 1.00 0.01 C ATOM 1382 O SER A 88 -7.626 -7.483 -10.779 1.00 0.01 O ATOM 1383 CB SER A 88 -9.571 -5.273 -10.453 1.00 0.81 C ATOM 1384 OG SER A 88 -10.450 -5.358 -11.567 1.00 1.08 O ATOM 0 H SER A 88 -7.953 -6.037 -8.444 1.00 0.01 H new ATOM 0 HA SER A 88 -10.595 -6.938 -9.555 1.00 0.01 H new ATOM 0 HB2 SER A 88 -9.889 -4.474 -9.784 1.00 0.81 H new ATOM 0 HB3 SER A 88 -8.563 -5.026 -10.788 1.00 0.81 H new ATOM 0 HG SER A 88 -10.457 -4.502 -12.044 1.00 1.08 H new ATOM 1390 N SER A 89 -9.449 -8.669 -11.042 1.00 0.01 N ATOM 1391 CA SER A 89 -8.725 -9.651 -11.912 1.00 0.01 C ATOM 1392 C SER A 89 -9.124 -9.323 -13.348 1.00 0.01 C ATOM 1393 O SER A 89 -9.539 -8.213 -13.613 1.00 0.01 O ATOM 1394 CB SER A 89 -9.157 -11.077 -11.566 1.00 0.43 C ATOM 1395 OG SER A 89 -8.635 -11.424 -10.292 1.00 1.26 O ATOM 0 H SER A 89 -10.437 -8.869 -10.888 1.00 0.01 H new ATOM 0 HA SER A 89 -7.646 -9.586 -11.771 1.00 0.01 H new ATOM 0 HB2 SER A 89 -10.245 -11.149 -11.559 1.00 0.43 H new ATOM 0 HB3 SER A 89 -8.796 -11.773 -12.323 1.00 0.43 H new ATOM 0 HG SER A 89 -8.910 -12.336 -10.063 1.00 1.26 H new ATOM 1401 N GLY A 90 -9.063 -10.248 -14.277 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.504 -9.924 -15.671 1.00 0.00 C ATOM 1403 C GLY A 90 -8.560 -10.494 -16.732 1.00 0.00 C ATOM 1404 O GLY A 90 -9.000 -11.118 -17.677 1.00 0.01 O ATOM 0 H GLY A 90 -8.731 -11.202 -14.133 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.507 -10.319 -15.832 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.565 -8.842 -15.787 1.00 0.00 H new ATOM 1408 N GLY A 91 -7.270 -10.309 -16.607 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.373 -10.879 -17.647 1.00 0.00 C ATOM 1410 C GLY A 91 -4.898 -10.545 -17.393 1.00 0.00 C ATOM 1411 O GLY A 91 -4.244 -11.200 -16.605 1.00 0.01 O ATOM 0 H GLY A 91 -6.812 -9.802 -15.850 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.498 -11.961 -17.677 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.666 -10.497 -18.625 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.361 -9.554 -18.067 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.911 -9.198 -17.883 1.00 2.31 C ATOM 1417 C GLN A 92 -2.763 -7.744 -17.424 1.00 1.91 C ATOM 1418 O GLN A 92 -3.165 -6.815 -18.095 1.00 2.31 O ATOM 1419 CB GLN A 92 -2.183 -9.416 -19.212 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.730 -8.955 -19.083 1.00 2.86 C ATOM 1421 CD GLN A 92 0.061 -9.415 -20.309 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -0.354 -9.197 -21.430 1.00 3.99 O ATOM 1423 NE2 GLN A 92 1.190 -10.044 -20.144 1.00 4.43 N ATOM 0 H GLN A 92 -4.864 -8.974 -18.739 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.474 -9.834 -17.113 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.218 -10.470 -19.489 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.682 -8.861 -20.007 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.688 -7.869 -18.996 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -0.286 -9.365 -18.176 1.00 2.86 H new ATOM 0 HE21 GLN A 92 1.539 -10.227 -19.203 1.00 4.43 H new ATOM 0 HE22 GLN A 92 1.725 -10.353 -20.956 1.00 4.43 H new ATOM 1432 N ALA A 93 -2.179 -7.562 -16.267 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.989 -6.182 -15.736 1.00 0.01 C ATOM 1434 C ALA A 93 -0.804 -5.527 -16.454 1.00 0.01 C ATOM 1435 O ALA A 93 0.258 -6.106 -16.573 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.702 -6.242 -14.233 1.00 2.99 C ATOM 0 H ALA A 93 -1.827 -8.309 -15.669 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.894 -5.598 -15.906 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.564 -5.232 -13.848 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.541 -6.714 -13.721 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.797 -6.824 -14.058 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.984 -4.324 -16.937 1.00 0.00 N ATOM 1443 CA LYS A 94 0.116 -3.608 -17.661 1.00 0.01 C ATOM 1444 C LYS A 94 0.247 -2.193 -17.091 1.00 0.01 C ATOM 1445 O LYS A 94 -0.739 -1.553 -16.781 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.255 -3.551 -19.145 1.00 2.49 C ATOM 1447 CG LYS A 94 0.905 -2.955 -19.949 1.00 3.43 C ATOM 1448 CD LYS A 94 0.716 -3.274 -21.437 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.624 -2.710 -21.921 1.00 5.23 C ATOM 1450 NZ LYS A 94 -1.726 -3.622 -21.505 1.00 6.36 N ATOM 0 H LYS A 94 -1.855 -3.800 -16.861 1.00 0.00 H new ATOM 0 HA LYS A 94 1.068 -4.125 -17.539 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.486 -4.552 -19.510 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -1.152 -2.947 -19.282 1.00 2.49 H new ATOM 0 HG2 LYS A 94 0.947 -1.876 -19.800 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.852 -3.363 -19.597 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.533 -2.845 -22.017 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.746 -4.352 -21.594 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -0.784 -1.715 -21.504 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -0.615 -2.604 -23.006 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -2.396 -3.738 -22.292 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -1.331 -4.549 -21.247 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -2.222 -3.216 -20.685 1.00 6.36 H new ATOM 1464 N ILE A 95 1.459 -1.704 -16.934 1.00 0.00 N ATOM 1465 CA ILE A 95 1.655 -0.328 -16.362 1.00 0.01 C ATOM 1466 C ILE A 95 2.577 0.493 -17.269 1.00 0.01 C ATOM 1467 O ILE A 95 3.546 -0.002 -17.815 1.00 0.01 O ATOM 1468 CB ILE A 95 2.279 -0.460 -14.965 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.777 0.916 -14.471 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.448 -1.447 -15.023 1.00 0.36 C ATOM 1471 CD1 ILE A 95 2.794 0.946 -12.939 1.00 1.09 C ATOM 0 H ILE A 95 2.318 -2.197 -17.177 1.00 0.00 H new ATOM 0 HA ILE A 95 0.694 0.182 -16.293 1.00 0.01 H new ATOM 0 HB ILE A 95 1.525 -0.828 -14.269 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.777 1.111 -14.858 1.00 0.30 H new ATOM 0 HG13 ILE A 95 2.129 1.705 -14.852 1.00 0.30 H new ATOM 0 HG21 ILE A 95 3.893 -1.543 -14.033 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.086 -2.421 -15.354 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.198 -1.081 -15.724 1.00 0.36 H new ATOM 0 HD11 ILE A 95 3.146 1.920 -12.598 1.00 1.09 H new ATOM 0 HD12 ILE A 95 1.787 0.772 -12.560 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.461 0.168 -12.567 1.00 1.09 H new ATOM 1483 N GLN A 96 2.297 1.771 -17.382 1.00 0.01 N ATOM 1484 CA GLN A 96 3.157 2.692 -18.190 1.00 0.01 C ATOM 1485 C GLN A 96 3.643 3.815 -17.266 1.00 0.01 C ATOM 1486 O GLN A 96 2.863 4.379 -16.524 1.00 0.00 O ATOM 1487 CB GLN A 96 2.361 3.273 -19.361 1.00 0.53 C ATOM 1488 CG GLN A 96 0.951 3.627 -18.906 1.00 0.82 C ATOM 1489 CD GLN A 96 0.223 4.350 -20.040 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -0.959 4.154 -20.241 1.00 1.75 O ATOM 1491 NE2 GLN A 96 0.882 5.188 -20.793 1.00 2.05 N ATOM 0 H GLN A 96 1.495 2.221 -16.940 1.00 0.01 H new ATOM 0 HA GLN A 96 4.007 2.149 -18.603 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.861 4.161 -19.747 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.319 2.551 -20.177 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.408 2.724 -18.627 1.00 0.82 H new ATOM 0 HG3 GLN A 96 0.990 4.261 -18.020 1.00 0.82 H new ATOM 0 HE21 GLN A 96 1.874 5.353 -20.625 1.00 2.05 H new ATOM 0 HE22 GLN A 96 0.405 5.678 -21.550 1.00 2.05 H new ATOM 1500 N VAL A 97 4.912 4.153 -17.293 1.00 0.01 N ATOM 1501 CA VAL A 97 5.429 5.249 -16.400 1.00 0.01 C ATOM 1502 C VAL A 97 6.115 6.324 -17.247 1.00 0.01 C ATOM 1503 O VAL A 97 6.691 6.043 -18.281 1.00 0.01 O ATOM 1504 CB VAL A 97 6.439 4.664 -15.407 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.734 3.664 -14.488 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.555 3.950 -16.174 1.00 1.03 C ATOM 0 H VAL A 97 5.614 3.719 -17.893 1.00 0.01 H new ATOM 0 HA VAL A 97 4.596 5.694 -15.856 1.00 0.01 H new ATOM 0 HB VAL A 97 6.865 5.469 -14.809 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.453 3.249 -13.782 1.00 1.10 H new ATOM 0 HG12 VAL A 97 4.939 4.171 -13.940 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.306 2.859 -15.086 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.273 3.534 -15.468 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.128 3.146 -16.773 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.060 4.661 -16.828 1.00 1.03 H new ATOM 1516 N PHE A 98 6.030 7.565 -16.818 1.00 0.01 N ATOM 1517 CA PHE A 98 6.645 8.693 -17.595 1.00 0.01 C ATOM 1518 C PHE A 98 7.724 9.401 -16.767 1.00 0.01 C ATOM 1519 O PHE A 98 7.609 9.576 -15.570 1.00 0.01 O ATOM 1520 CB PHE A 98 5.554 9.700 -17.959 1.00 0.25 C ATOM 1521 CG PHE A 98 4.598 9.076 -18.951 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.720 8.069 -18.534 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.580 9.513 -20.283 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.827 7.497 -19.447 1.00 0.56 C ATOM 1525 CE2 PHE A 98 3.685 8.941 -21.195 1.00 0.73 C ATOM 1526 CZ PHE A 98 2.809 7.933 -20.776 1.00 0.69 C ATOM 0 H PHE A 98 5.558 7.846 -15.958 1.00 0.01 H new ATOM 0 HA PHE A 98 7.106 8.287 -18.495 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.015 10.007 -17.063 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.001 10.598 -18.385 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.732 7.733 -17.508 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.256 10.291 -20.605 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.151 6.718 -19.125 1.00 0.56 H new ATOM 0 HE2 PHE A 98 3.671 9.277 -22.221 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.119 7.491 -21.479 1.00 0.69 H new ATOM 1536 N GLU A 99 8.790 9.771 -17.422 1.00 0.01 N ATOM 1537 CA GLU A 99 9.928 10.433 -16.718 1.00 0.01 C ATOM 1538 C GLU A 99 9.534 11.815 -16.175 1.00 0.01 C ATOM 1539 O GLU A 99 10.081 12.263 -15.187 1.00 0.01 O ATOM 1540 CB GLU A 99 11.102 10.588 -17.688 1.00 0.01 C ATOM 1541 CG GLU A 99 12.350 11.029 -16.920 1.00 0.01 C ATOM 1542 CD GLU A 99 13.569 10.952 -17.842 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.542 10.152 -18.763 1.00 0.01 O ATOM 1544 OE2 GLU A 99 14.510 11.695 -17.612 1.00 0.02 O ATOM 0 H GLU A 99 8.924 9.642 -18.425 1.00 0.01 H new ATOM 0 HA GLU A 99 10.211 9.806 -15.873 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.292 9.644 -18.198 1.00 0.01 H new ATOM 0 HB3 GLU A 99 10.857 11.322 -18.456 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.223 12.047 -16.552 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.499 10.391 -16.049 1.00 0.01 H new ATOM 1551 N LYS A 100 8.608 12.503 -16.807 1.00 0.01 N ATOM 1552 CA LYS A 100 8.204 13.870 -16.315 1.00 0.01 C ATOM 1553 C LYS A 100 6.734 13.875 -15.887 1.00 0.01 C ATOM 1554 O LYS A 100 6.005 12.929 -16.108 1.00 0.01 O ATOM 1555 CB LYS A 100 8.406 14.901 -17.430 1.00 0.94 C ATOM 1556 CG LYS A 100 9.893 14.989 -17.778 1.00 1.63 C ATOM 1557 CD LYS A 100 10.100 16.038 -18.874 1.00 2.19 C ATOM 1558 CE LYS A 100 11.598 16.245 -19.109 1.00 2.84 C ATOM 1559 NZ LYS A 100 12.159 15.066 -19.827 1.00 3.18 N ATOM 0 H LYS A 100 8.114 12.181 -17.640 1.00 0.01 H new ATOM 0 HA LYS A 100 8.825 14.125 -15.456 1.00 0.01 H new ATOM 0 HB2 LYS A 100 7.831 14.617 -18.311 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.038 15.876 -17.110 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.470 15.255 -16.892 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.256 14.018 -18.116 1.00 1.63 H new ATOM 0 HD2 LYS A 100 9.618 15.715 -19.797 1.00 2.19 H new ATOM 0 HD3 LYS A 100 9.634 16.979 -18.583 1.00 2.19 H new ATOM 0 HE2 LYS A 100 11.763 17.151 -19.692 1.00 2.84 H new ATOM 0 HE3 LYS A 100 12.110 16.381 -18.157 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 12.968 14.688 -19.294 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 11.428 14.332 -19.913 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 12.473 15.354 -20.776 1.00 3.18 H new ATOM 1573 N GLY A 101 6.307 14.938 -15.259 1.00 0.01 N ATOM 1574 CA GLY A 101 4.895 15.033 -14.785 1.00 0.01 C ATOM 1575 C GLY A 101 3.930 15.161 -15.969 1.00 0.00 C ATOM 1576 O GLY A 101 4.316 15.463 -17.080 1.00 0.01 O ATOM 0 H GLY A 101 6.883 15.754 -15.052 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.643 14.149 -14.199 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.785 15.894 -14.126 1.00 0.01 H new ATOM 1580 N ASP A 102 2.666 14.955 -15.711 1.00 0.01 N ATOM 1581 CA ASP A 102 1.625 15.082 -16.776 1.00 0.00 C ATOM 1582 C ASP A 102 1.925 14.166 -17.964 1.00 0.00 C ATOM 1583 O ASP A 102 1.687 14.507 -19.106 1.00 0.01 O ATOM 1584 CB ASP A 102 1.564 16.534 -17.254 1.00 0.01 C ATOM 1585 CG ASP A 102 1.462 17.465 -16.043 1.00 0.01 C ATOM 1586 OD1 ASP A 102 0.551 17.280 -15.253 1.00 0.01 O ATOM 1587 OD2 ASP A 102 2.297 18.347 -15.927 1.00 0.01 O ATOM 0 H ASP A 102 2.304 14.700 -14.792 1.00 0.01 H new ATOM 0 HA ASP A 102 0.666 14.784 -16.353 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.453 16.774 -17.837 1.00 0.01 H new ATOM 0 HB3 ASP A 102 0.705 16.677 -17.910 1.00 0.01 H new ATOM 1592 N PHE A 103 2.410 12.988 -17.692 1.00 0.01 N ATOM 1593 CA PHE A 103 2.692 12.011 -18.781 1.00 0.01 C ATOM 1594 C PHE A 103 3.570 12.626 -19.873 1.00 0.00 C ATOM 1595 O PHE A 103 3.233 12.590 -21.040 1.00 0.01 O ATOM 1596 CB PHE A 103 1.367 11.556 -19.401 1.00 0.01 C ATOM 1597 CG PHE A 103 0.347 11.326 -18.307 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.599 10.383 -17.303 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.855 12.050 -18.299 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.346 10.165 -16.292 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.799 11.830 -17.288 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.544 10.888 -16.285 1.00 0.01 C ATOM 0 H PHE A 103 2.626 12.656 -16.752 1.00 0.01 H new ATOM 0 HA PHE A 103 3.227 11.165 -18.350 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.003 12.310 -20.099 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.517 10.639 -19.971 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.523 9.823 -17.308 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -1.052 12.777 -19.073 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -0.150 9.438 -15.517 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.724 12.387 -17.282 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.272 10.719 -15.505 1.00 0.01 H new ATOM 1612 N ASN A 104 4.706 13.163 -19.511 1.00 0.00 N ATOM 1613 CA ASN A 104 5.636 13.754 -20.526 1.00 0.01 C ATOM 1614 C ASN A 104 7.030 13.168 -20.295 1.00 0.01 C ATOM 1615 O ASN A 104 7.291 12.553 -19.279 1.00 0.01 O ATOM 1616 CB ASN A 104 5.691 15.275 -20.360 1.00 1.68 C ATOM 1617 CG ASN A 104 6.740 15.856 -21.309 1.00 2.31 C ATOM 1618 OD1 ASN A 104 7.521 16.704 -20.923 1.00 3.15 O ATOM 1619 ND2 ASN A 104 6.795 15.429 -22.541 1.00 2.38 N ATOM 0 H ASN A 104 5.034 13.219 -18.547 1.00 0.00 H new ATOM 0 HA ASN A 104 5.286 13.522 -21.532 1.00 0.01 H new ATOM 0 HB2 ASN A 104 4.714 15.710 -20.571 1.00 1.68 H new ATOM 0 HB3 ASN A 104 5.937 15.530 -19.329 1.00 1.68 H new ATOM 0 HD21 ASN A 104 7.494 15.807 -23.181 1.00 2.38 H new ATOM 0 HD22 ASN A 104 6.139 14.717 -22.864 1.00 2.38 H new ATOM 1626 N GLY A 105 7.929 13.336 -21.231 1.00 0.01 N ATOM 1627 CA GLY A 105 9.305 12.779 -21.060 1.00 0.01 C ATOM 1628 C GLY A 105 9.372 11.385 -21.681 1.00 0.01 C ATOM 1629 O GLY A 105 8.504 10.991 -22.434 1.00 0.01 O ATOM 0 H GLY A 105 7.770 13.835 -22.106 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.036 13.435 -21.533 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.560 12.730 -20.001 1.00 0.01 H new ATOM 1633 N GLN A 106 10.383 10.626 -21.363 1.00 0.01 N ATOM 1634 CA GLN A 106 10.483 9.253 -21.927 1.00 0.01 C ATOM 1635 C GLN A 106 9.478 8.357 -21.203 1.00 0.01 C ATOM 1636 O GLN A 106 9.217 8.515 -20.027 1.00 0.01 O ATOM 1637 CB GLN A 106 11.900 8.717 -21.713 1.00 0.01 C ATOM 1638 CG GLN A 106 12.019 7.322 -22.330 1.00 0.01 C ATOM 1639 CD GLN A 106 13.451 6.814 -22.167 1.00 0.01 C ATOM 1640 OE1 GLN A 106 14.157 7.229 -21.269 1.00 0.01 O ATOM 1641 NE2 GLN A 106 13.914 5.926 -23.002 1.00 0.01 N ATOM 0 H GLN A 106 11.142 10.897 -20.738 1.00 0.01 H new ATOM 0 HA GLN A 106 10.266 9.268 -22.995 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.627 9.390 -22.168 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.127 8.675 -20.648 1.00 0.01 H new ATOM 0 HG2 GLN A 106 11.322 6.638 -21.846 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.752 7.356 -23.386 1.00 0.01 H new ATOM 0 HE21 GLN A 106 13.322 5.577 -23.756 1.00 0.01 H new ATOM 0 HE22 GLN A 106 14.868 5.580 -22.901 1.00 0.01 H new ATOM 1650 N MET A 107 8.897 7.428 -21.918 1.00 0.01 N ATOM 1651 CA MET A 107 7.883 6.508 -21.312 1.00 0.01 C ATOM 1652 C MET A 107 8.394 5.069 -21.358 1.00 0.01 C ATOM 1653 O MET A 107 9.001 4.638 -22.319 1.00 0.01 O ATOM 1654 CB MET A 107 6.581 6.601 -22.118 1.00 0.00 C ATOM 1655 CG MET A 107 5.530 5.653 -21.533 1.00 0.01 C ATOM 1656 SD MET A 107 3.987 5.823 -22.462 1.00 0.01 S ATOM 1657 CE MET A 107 4.348 4.591 -23.736 1.00 0.01 C ATOM 0 H MET A 107 9.083 7.265 -22.907 1.00 0.01 H new ATOM 0 HA MET A 107 7.707 6.796 -20.276 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.207 7.625 -22.103 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.771 6.347 -23.161 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.885 4.624 -21.581 1.00 0.01 H new ATOM 0 HG3 MET A 107 5.362 5.883 -20.481 1.00 0.01 H new ATOM 0 HE1 MET A 107 3.511 4.530 -24.431 1.00 0.01 H new ATOM 0 HE2 MET A 107 5.249 4.880 -24.277 1.00 0.01 H new ATOM 0 HE3 MET A 107 4.502 3.619 -23.268 1.00 0.01 H new ATOM 1667 N TYR A 108 8.118 4.317 -20.323 1.00 0.01 N ATOM 1668 CA TYR A 108 8.536 2.883 -20.266 1.00 0.00 C ATOM 1669 C TYR A 108 7.316 2.052 -19.845 1.00 0.01 C ATOM 1670 O TYR A 108 6.574 2.421 -18.956 1.00 0.01 O ATOM 1671 CB TYR A 108 9.660 2.710 -19.236 1.00 0.54 C ATOM 1672 CG TYR A 108 10.986 3.089 -19.858 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.537 2.286 -20.864 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.665 4.237 -19.429 1.00 0.93 C ATOM 1675 CE1 TYR A 108 12.766 2.629 -21.439 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.893 4.581 -20.006 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.444 3.776 -21.010 1.00 1.82 C ATOM 1678 OH TYR A 108 14.657 4.112 -21.576 1.00 2.48 O ATOM 0 H TYR A 108 7.611 4.643 -19.500 1.00 0.01 H new ATOM 0 HA TYR A 108 8.903 2.556 -21.239 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.466 3.334 -18.363 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.692 1.677 -18.889 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.014 1.402 -21.196 1.00 1.24 H new ATOM 0 HD2 TYR A 108 11.241 4.857 -18.653 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.191 2.009 -22.214 1.00 1.76 H new ATOM 0 HE2 TYR A 108 13.415 5.467 -19.677 1.00 1.51 H new ATOM 0 HH TYR A 108 14.785 3.601 -22.403 1.00 2.48 H new ATOM 1688 N GLU A 109 7.093 0.947 -20.511 1.00 0.01 N ATOM 1689 CA GLU A 109 5.907 0.082 -20.206 1.00 0.01 C ATOM 1690 C GLU A 109 6.369 -1.314 -19.798 1.00 0.01 C ATOM 1691 O GLU A 109 7.239 -1.896 -20.415 1.00 0.01 O ATOM 1692 CB GLU A 109 5.044 -0.003 -21.467 1.00 0.01 C ATOM 1693 CG GLU A 109 3.711 -0.678 -21.139 1.00 0.01 C ATOM 1694 CD GLU A 109 2.754 -0.512 -22.320 1.00 0.00 C ATOM 1695 OE1 GLU A 109 2.841 -1.304 -23.243 1.00 0.00 O ATOM 1696 OE2 GLU A 109 1.952 0.407 -22.283 1.00 0.00 O ATOM 0 H GLU A 109 7.689 0.601 -21.263 1.00 0.01 H new ATOM 0 HA GLU A 109 5.333 0.508 -19.383 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.868 0.996 -21.866 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.567 -0.567 -22.239 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.868 -1.736 -20.930 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.278 -0.237 -20.241 1.00 0.01 H new ATOM 1703 N THR A 110 5.794 -1.859 -18.752 1.00 0.01 N ATOM 1704 CA THR A 110 6.209 -3.220 -18.304 1.00 0.00 C ATOM 1705 C THR A 110 5.037 -3.962 -17.646 1.00 0.01 C ATOM 1706 O THR A 110 4.131 -3.376 -17.080 1.00 0.01 O ATOM 1707 CB THR A 110 7.359 -3.103 -17.302 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.727 -4.398 -16.852 1.00 1.65 O ATOM 1709 CG2 THR A 110 6.917 -2.250 -16.113 1.00 1.69 C ATOM 0 H THR A 110 5.061 -1.421 -18.195 1.00 0.01 H new ATOM 0 HA THR A 110 6.533 -3.784 -19.179 1.00 0.00 H new ATOM 0 HB THR A 110 8.215 -2.631 -17.784 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.465 -4.324 -16.211 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.737 -2.167 -15.400 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.638 -1.256 -16.462 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.060 -2.718 -15.628 1.00 1.69 H new ATOM 1717 N THR A 111 5.072 -5.264 -17.740 1.00 0.00 N ATOM 1718 CA THR A 111 3.997 -6.124 -17.152 1.00 0.01 C ATOM 1719 C THR A 111 4.548 -6.891 -15.947 1.00 0.01 C ATOM 1720 O THR A 111 3.917 -7.805 -15.453 1.00 0.01 O ATOM 1721 CB THR A 111 3.521 -7.120 -18.212 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.434 -8.207 -18.280 1.00 0.01 O ATOM 1723 CG2 THR A 111 3.452 -6.423 -19.570 1.00 0.01 C ATOM 0 H THR A 111 5.816 -5.781 -18.209 1.00 0.00 H new ATOM 0 HA THR A 111 3.165 -5.498 -16.829 1.00 0.01 H new ATOM 0 HB THR A 111 2.532 -7.493 -17.946 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.130 -8.847 -18.957 1.00 0.01 H new ATOM 0 HG21 THR A 111 3.113 -7.132 -20.326 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.753 -5.588 -19.516 1.00 0.01 H new ATOM 0 HG23 THR A 111 4.441 -6.051 -19.839 1.00 0.01 H new ATOM 1731 N GLU A 112 5.733 -6.551 -15.492 1.00 0.01 N ATOM 1732 CA GLU A 112 6.350 -7.287 -14.337 1.00 0.01 C ATOM 1733 C GLU A 112 6.647 -6.338 -13.172 1.00 0.01 C ATOM 1734 O GLU A 112 6.711 -5.135 -13.330 1.00 0.01 O ATOM 1735 CB GLU A 112 7.661 -7.921 -14.803 1.00 0.85 C ATOM 1736 CG GLU A 112 7.379 -8.889 -15.952 1.00 1.61 C ATOM 1737 CD GLU A 112 8.696 -9.278 -16.626 1.00 2.51 C ATOM 1738 OE1 GLU A 112 9.616 -9.646 -15.914 1.00 3.07 O ATOM 1739 OE2 GLU A 112 8.761 -9.203 -17.842 1.00 3.21 O ATOM 0 H GLU A 112 6.301 -5.794 -15.871 1.00 0.01 H new ATOM 0 HA GLU A 112 5.649 -8.048 -13.994 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.356 -7.147 -15.128 1.00 0.85 H new ATOM 0 HB3 GLU A 112 8.136 -8.449 -13.976 1.00 0.85 H new ATOM 0 HG2 GLU A 112 6.874 -9.779 -15.576 1.00 1.61 H new ATOM 0 HG3 GLU A 112 6.710 -8.425 -16.677 1.00 1.61 H new ATOM 1746 N ASP A 113 6.856 -6.889 -12.007 1.00 0.01 N ATOM 1747 CA ASP A 113 7.185 -6.051 -10.818 1.00 0.01 C ATOM 1748 C ASP A 113 8.559 -5.419 -11.046 1.00 0.00 C ATOM 1749 O ASP A 113 9.376 -5.947 -11.775 1.00 0.01 O ATOM 1750 CB ASP A 113 7.238 -6.940 -9.573 1.00 0.01 C ATOM 1751 CG ASP A 113 7.935 -8.259 -9.917 1.00 0.01 C ATOM 1752 OD1 ASP A 113 7.370 -9.022 -10.685 1.00 0.00 O ATOM 1753 OD2 ASP A 113 9.020 -8.485 -9.405 1.00 0.00 O ATOM 0 H ASP A 113 6.813 -7.892 -11.827 1.00 0.01 H new ATOM 0 HA ASP A 113 6.430 -5.278 -10.677 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.774 -6.431 -8.772 1.00 0.01 H new ATOM 0 HB3 ASP A 113 6.229 -7.134 -9.208 1.00 0.01 H new ATOM 1758 N CYS A 114 8.829 -4.308 -10.401 1.00 0.01 N ATOM 1759 CA CYS A 114 10.165 -3.646 -10.539 1.00 0.01 C ATOM 1760 C CYS A 114 10.781 -3.485 -9.131 1.00 0.01 C ATOM 1761 O CYS A 114 10.299 -2.676 -8.358 1.00 0.01 O ATOM 1762 CB CYS A 114 9.965 -2.257 -11.146 1.00 0.01 C ATOM 1763 SG CYS A 114 11.516 -1.329 -11.051 1.00 0.01 S ATOM 0 H CYS A 114 8.176 -3.829 -9.781 1.00 0.01 H new ATOM 0 HA CYS A 114 10.819 -4.244 -11.174 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.644 -2.345 -12.184 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.177 -1.725 -10.613 1.00 0.01 H new ATOM 0 HG CYS A 114 12.234 -1.575 -12.107 1.00 0.01 H new ATOM 1769 N PRO A 115 11.835 -4.213 -8.780 1.00 0.01 N ATOM 1770 CA PRO A 115 12.447 -4.054 -7.428 1.00 0.01 C ATOM 1771 C PRO A 115 13.300 -2.784 -7.338 1.00 0.01 C ATOM 1772 O PRO A 115 13.391 -2.169 -6.294 1.00 0.01 O ATOM 1773 CB PRO A 115 13.307 -5.323 -7.309 1.00 0.01 C ATOM 1774 CG PRO A 115 13.521 -5.881 -8.729 1.00 0.01 C ATOM 1775 CD PRO A 115 12.479 -5.234 -9.663 1.00 0.01 C ATOM 0 HA PRO A 115 11.714 -3.947 -6.629 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.264 -5.093 -6.840 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.813 -6.062 -6.679 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.531 -5.661 -9.076 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.412 -6.966 -8.732 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.946 -4.778 -10.536 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.758 -5.963 -10.032 1.00 0.01 H new ATOM 1783 N SER A 116 13.929 -2.392 -8.416 1.00 0.01 N ATOM 1784 CA SER A 116 14.782 -1.165 -8.394 1.00 0.02 C ATOM 1785 C SER A 116 14.562 -0.397 -9.696 1.00 0.01 C ATOM 1786 O SER A 116 14.987 -0.805 -10.760 1.00 0.00 O ATOM 1787 CB SER A 116 16.251 -1.570 -8.270 1.00 0.01 C ATOM 1788 OG SER A 116 16.491 -2.067 -6.960 1.00 0.01 O ATOM 0 H SER A 116 13.888 -2.871 -9.315 1.00 0.01 H new ATOM 0 HA SER A 116 14.516 -0.535 -7.545 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.494 -2.332 -9.011 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.895 -0.713 -8.470 1.00 0.01 H new ATOM 0 HG SER A 116 17.432 -2.329 -6.877 1.00 0.01 H new ATOM 1794 N ILE A 117 13.864 0.700 -9.609 1.00 0.01 N ATOM 1795 CA ILE A 117 13.558 1.508 -10.820 1.00 0.01 C ATOM 1796 C ILE A 117 14.834 2.074 -11.439 1.00 0.01 C ATOM 1797 O ILE A 117 14.960 2.131 -12.645 1.00 0.00 O ATOM 1798 CB ILE A 117 12.618 2.649 -10.420 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.229 2.068 -10.150 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.528 3.690 -11.542 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.342 3.129 -9.506 1.00 1.83 C ATOM 0 H ILE A 117 13.488 1.075 -8.738 1.00 0.01 H new ATOM 0 HA ILE A 117 13.082 0.871 -11.565 1.00 0.01 H new ATOM 0 HB ILE A 117 13.005 3.137 -9.526 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.781 1.723 -11.082 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.309 1.201 -9.495 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.856 4.493 -11.240 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.519 4.100 -11.738 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.145 3.218 -12.447 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.354 2.710 -9.316 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.787 3.452 -8.565 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.251 3.983 -10.177 1.00 1.83 H new ATOM 1813 N MET A 118 15.766 2.520 -10.640 1.00 0.02 N ATOM 1814 CA MET A 118 17.000 3.106 -11.228 1.00 0.01 C ATOM 1815 C MET A 118 17.795 2.025 -11.954 1.00 0.01 C ATOM 1816 O MET A 118 18.365 2.265 -12.995 1.00 0.02 O ATOM 1817 CB MET A 118 17.862 3.744 -10.135 1.00 0.24 C ATOM 1818 CG MET A 118 19.182 4.229 -10.738 1.00 0.63 C ATOM 1819 SD MET A 118 19.988 5.370 -9.589 1.00 1.20 S ATOM 1820 CE MET A 118 20.885 4.129 -8.625 1.00 1.34 C ATOM 0 H MET A 118 15.726 2.504 -9.621 1.00 0.02 H new ATOM 0 HA MET A 118 16.714 3.879 -11.941 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.330 4.579 -9.680 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.057 3.021 -9.343 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.835 3.380 -10.942 1.00 0.63 H new ATOM 0 HG3 MET A 118 18.998 4.725 -11.691 1.00 0.63 H new ATOM 0 HE1 MET A 118 21.462 4.623 -7.843 1.00 1.34 H new ATOM 0 HE2 MET A 118 20.175 3.438 -8.171 1.00 1.34 H new ATOM 0 HE3 MET A 118 21.559 3.577 -9.280 1.00 1.34 H new ATOM 1830 N GLU A 119 17.845 0.836 -11.435 1.00 0.01 N ATOM 1831 CA GLU A 119 18.614 -0.224 -12.134 1.00 0.02 C ATOM 1832 C GLU A 119 17.889 -0.626 -13.421 1.00 0.02 C ATOM 1833 O GLU A 119 18.505 -0.923 -14.424 1.00 0.01 O ATOM 1834 CB GLU A 119 18.748 -1.442 -11.211 1.00 0.30 C ATOM 1835 CG GLU A 119 19.415 -2.607 -11.962 1.00 0.99 C ATOM 1836 CD GLU A 119 18.370 -3.375 -12.778 1.00 1.69 C ATOM 1837 OE1 GLU A 119 17.349 -3.730 -12.213 1.00 2.07 O ATOM 1838 OE2 GLU A 119 18.612 -3.596 -13.953 1.00 2.11 O ATOM 0 H GLU A 119 17.392 0.553 -10.566 1.00 0.01 H new ATOM 0 HA GLU A 119 19.605 0.151 -12.388 1.00 0.02 H new ATOM 0 HB2 GLU A 119 19.339 -1.179 -10.334 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.764 -1.746 -10.853 1.00 0.30 H new ATOM 0 HG2 GLU A 119 20.194 -2.226 -12.622 1.00 0.99 H new ATOM 0 HG3 GLU A 119 19.898 -3.278 -11.252 1.00 0.99 H new ATOM 1845 N GLN A 120 16.585 -0.695 -13.380 1.00 0.00 N ATOM 1846 CA GLN A 120 15.816 -1.145 -14.579 1.00 0.01 C ATOM 1847 C GLN A 120 15.637 -0.028 -15.615 1.00 0.01 C ATOM 1848 O GLN A 120 15.805 -0.246 -16.799 1.00 0.01 O ATOM 1849 CB GLN A 120 14.436 -1.623 -14.124 1.00 0.52 C ATOM 1850 CG GLN A 120 13.756 -2.392 -15.261 1.00 1.07 C ATOM 1851 CD GLN A 120 12.321 -2.738 -14.856 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.991 -2.743 -13.686 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.448 -3.033 -15.782 1.00 2.08 N ATOM 0 H GLN A 120 16.017 -0.459 -12.566 1.00 0.00 H new ATOM 0 HA GLN A 120 16.380 -1.947 -15.054 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.533 -2.262 -13.246 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.823 -0.770 -13.831 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.754 -1.791 -16.170 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.312 -3.303 -15.482 1.00 1.07 H new ATOM 0 HE21 GLN A 120 11.725 -3.029 -16.764 1.00 2.08 H new ATOM 0 HE22 GLN A 120 10.490 -3.267 -15.523 1.00 2.08 H new ATOM 1862 N PHE A 121 15.221 1.142 -15.188 1.00 0.02 N ATOM 1863 CA PHE A 121 14.939 2.252 -16.163 1.00 0.01 C ATOM 1864 C PHE A 121 15.942 3.401 -16.052 1.00 0.01 C ATOM 1865 O PHE A 121 15.865 4.365 -16.788 1.00 0.01 O ATOM 1866 CB PHE A 121 13.529 2.780 -15.895 1.00 0.01 C ATOM 1867 CG PHE A 121 12.538 1.653 -16.080 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.232 1.201 -17.368 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.932 1.055 -14.967 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.321 0.153 -17.545 1.00 0.01 C ATOM 1871 CE2 PHE A 121 11.021 0.007 -15.144 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.716 -0.444 -16.433 1.00 0.01 C ATOM 0 H PHE A 121 15.064 1.379 -14.208 1.00 0.02 H new ATOM 0 HA PHE A 121 15.027 1.848 -17.172 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.462 3.178 -14.882 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.298 3.600 -16.575 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.699 1.661 -18.226 1.00 0.01 H new ATOM 0 HD2 PHE A 121 12.168 1.403 -13.972 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.085 -0.195 -18.540 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.554 -0.453 -14.286 1.00 0.01 H new ATOM 0 HZ PHE A 121 10.014 -1.253 -16.570 1.00 0.01 H new ATOM 1882 N HIS A 122 16.879 3.323 -15.152 1.00 0.01 N ATOM 1883 CA HIS A 122 17.868 4.427 -15.016 1.00 0.01 C ATOM 1884 C HIS A 122 17.145 5.723 -14.636 1.00 0.01 C ATOM 1885 O HIS A 122 17.544 6.800 -15.033 1.00 0.02 O ATOM 1886 CB HIS A 122 18.618 4.599 -16.344 1.00 0.01 C ATOM 1887 CG HIS A 122 18.842 3.247 -16.967 1.00 0.01 C ATOM 1888 ND1 HIS A 122 19.561 2.250 -16.327 1.00 0.01 N ATOM 1889 CD2 HIS A 122 18.446 2.711 -18.169 1.00 0.01 C ATOM 1890 CE1 HIS A 122 19.577 1.177 -17.138 1.00 0.00 C ATOM 1891 NE2 HIS A 122 18.912 1.404 -18.274 1.00 0.01 N ATOM 0 H HIS A 122 17.004 2.544 -14.505 1.00 0.01 H new ATOM 0 HA HIS A 122 18.585 4.187 -14.231 1.00 0.01 H new ATOM 0 HB2 HIS A 122 18.044 5.233 -17.020 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.573 5.097 -16.174 1.00 0.01 H new ATOM 0 HD2 HIS A 122 17.862 3.226 -18.918 1.00 0.01 H new ATOM 0 HE1 HIS A 122 20.068 0.245 -16.900 1.00 0.00 H new ATOM 0 HE2 HIS A 122 18.775 0.758 -19.051 1.00 0.01 H new ATOM 1899 N LEU A 123 16.082 5.625 -13.864 1.00 0.01 N ATOM 1900 CA LEU A 123 15.320 6.854 -13.442 1.00 0.01 C ATOM 1901 C LEU A 123 15.445 7.031 -11.928 1.00 0.02 C ATOM 1902 O LEU A 123 15.341 6.085 -11.172 1.00 0.01 O ATOM 1903 CB LEU A 123 13.840 6.702 -13.809 1.00 0.01 C ATOM 1904 CG LEU A 123 13.710 6.266 -15.269 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.233 6.027 -15.597 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.269 7.361 -16.190 1.00 0.01 C ATOM 0 H LEU A 123 15.708 4.746 -13.507 1.00 0.01 H new ATOM 0 HA LEU A 123 15.732 7.724 -13.954 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.368 5.967 -13.157 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.319 7.647 -13.654 1.00 0.01 H new ATOM 0 HG LEU A 123 14.273 5.346 -15.423 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.137 5.716 -16.637 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.838 5.246 -14.947 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.672 6.948 -15.440 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.174 7.046 -17.229 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.710 8.284 -16.038 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.320 7.531 -15.957 1.00 0.01 H new ATOM 1918 N ARG A 124 15.684 8.234 -11.476 1.00 0.01 N ATOM 1919 CA ARG A 124 15.834 8.468 -10.008 1.00 0.00 C ATOM 1920 C ARG A 124 14.480 8.799 -9.366 1.00 0.01 C ATOM 1921 O ARG A 124 14.306 8.665 -8.172 1.00 0.01 O ATOM 1922 CB ARG A 124 16.793 9.638 -9.778 1.00 1.67 C ATOM 1923 CG ARG A 124 16.371 10.824 -10.651 1.00 1.98 C ATOM 1924 CD ARG A 124 17.052 12.099 -10.148 1.00 2.92 C ATOM 1925 NE ARG A 124 18.532 11.927 -10.211 1.00 3.54 N ATOM 1926 CZ ARG A 124 19.315 12.966 -10.109 1.00 4.57 C ATOM 1927 NH1 ARG A 124 18.802 14.153 -9.939 1.00 5.25 N ATOM 1928 NH2 ARG A 124 20.609 12.818 -10.175 1.00 5.32 N ATOM 0 H ARG A 124 15.782 9.065 -12.059 1.00 0.01 H new ATOM 0 HA ARG A 124 16.227 7.559 -9.551 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.786 9.926 -8.727 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.813 9.339 -10.020 1.00 1.67 H new ATOM 0 HG2 ARG A 124 16.644 10.639 -11.690 1.00 1.98 H new ATOM 0 HG3 ARG A 124 15.288 10.943 -10.622 1.00 1.98 H new ATOM 0 HD2 ARG A 124 16.748 12.951 -10.756 1.00 2.92 H new ATOM 0 HD3 ARG A 124 16.742 12.310 -9.124 1.00 2.92 H new ATOM 0 HE ARG A 124 18.932 10.997 -10.334 1.00 3.54 H new ATOM 0 HH11 ARG A 124 17.790 14.268 -9.886 1.00 5.25 H new ATOM 0 HH12 ARG A 124 19.413 14.966 -9.859 1.00 5.25 H new ATOM 0 HH21 ARG A 124 21.010 11.889 -10.306 1.00 5.32 H new ATOM 0 HH22 ARG A 124 21.220 13.631 -10.095 1.00 5.32 H new ATOM 1942 N GLU A 125 13.523 9.252 -10.139 1.00 0.01 N ATOM 1943 CA GLU A 125 12.193 9.615 -9.555 1.00 0.01 C ATOM 1944 C GLU A 125 11.082 9.363 -10.578 1.00 0.01 C ATOM 1945 O GLU A 125 11.333 9.240 -11.761 1.00 0.01 O ATOM 1946 CB GLU A 125 12.191 11.101 -9.192 1.00 0.01 C ATOM 1947 CG GLU A 125 13.228 11.362 -8.098 1.00 0.01 C ATOM 1948 CD GLU A 125 13.020 12.763 -7.521 1.00 0.02 C ATOM 1949 OE1 GLU A 125 13.073 13.710 -8.288 1.00 0.02 O ATOM 1950 OE2 GLU A 125 12.808 12.865 -6.324 1.00 0.01 O ATOM 0 H GLU A 125 13.605 9.386 -11.147 1.00 0.01 H new ATOM 0 HA GLU A 125 12.019 9.005 -8.668 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.418 11.701 -10.073 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.201 11.401 -8.848 1.00 0.01 H new ATOM 0 HG2 GLU A 125 13.136 10.615 -7.309 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.234 11.271 -8.507 1.00 0.01 H new ATOM 1957 N ILE A 126 9.849 9.324 -10.129 1.00 0.01 N ATOM 1958 CA ILE A 126 8.692 9.119 -11.061 1.00 0.01 C ATOM 1959 C ILE A 126 7.667 10.218 -10.771 1.00 0.01 C ATOM 1960 O ILE A 126 7.294 10.427 -9.633 1.00 0.01 O ATOM 1961 CB ILE A 126 8.044 7.757 -10.792 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.111 6.644 -10.804 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.975 7.472 -11.853 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.821 6.546 -12.169 1.00 1.70 C ATOM 0 H ILE A 126 9.592 9.426 -9.147 1.00 0.01 H new ATOM 0 HA ILE A 126 9.029 9.155 -12.097 1.00 0.01 H new ATOM 0 HB ILE A 126 7.575 7.778 -9.808 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.848 6.838 -10.024 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.642 5.689 -10.569 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.517 6.502 -11.657 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.210 8.248 -11.817 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.436 7.463 -12.841 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.565 5.750 -12.136 1.00 1.70 H new ATOM 0 HD12 ILE A 126 9.088 6.326 -12.945 1.00 1.70 H new ATOM 0 HD13 ILE A 126 10.312 7.493 -12.392 1.00 1.70 H new ATOM 1976 N HIS A 127 7.247 10.959 -11.774 1.00 0.01 N ATOM 1977 CA HIS A 127 6.287 12.090 -11.527 1.00 0.01 C ATOM 1978 C HIS A 127 4.889 11.808 -12.084 1.00 0.01 C ATOM 1979 O HIS A 127 3.938 12.487 -11.751 1.00 0.01 O ATOM 1980 CB HIS A 127 6.837 13.369 -12.161 1.00 0.02 C ATOM 1981 CG HIS A 127 8.310 13.471 -11.877 1.00 0.01 C ATOM 1982 ND1 HIS A 127 9.211 12.508 -12.301 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.054 14.412 -11.207 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.434 12.885 -11.886 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.395 14.040 -11.213 1.00 0.02 N ATOM 0 H HIS A 127 7.525 10.831 -12.747 1.00 0.01 H new ATOM 0 HA HIS A 127 6.190 12.205 -10.447 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.662 13.359 -13.237 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.317 14.239 -11.761 1.00 0.02 H new ATOM 0 HD2 HIS A 127 8.658 15.305 -10.746 1.00 0.01 H new ATOM 0 HE1 HIS A 127 11.337 12.323 -12.074 1.00 0.01 H new ATOM 0 HE2 HIS A 127 11.179 14.540 -10.794 1.00 0.02 H new ATOM 1993 N SER A 128 4.739 10.806 -12.907 1.00 0.01 N ATOM 1994 CA SER A 128 3.385 10.484 -13.447 1.00 0.01 C ATOM 1995 C SER A 128 3.390 9.050 -13.982 1.00 0.01 C ATOM 1996 O SER A 128 4.422 8.520 -14.349 1.00 0.01 O ATOM 1997 CB SER A 128 3.042 11.453 -14.576 1.00 0.01 C ATOM 1998 OG SER A 128 1.755 11.140 -15.082 1.00 0.01 O ATOM 0 H SER A 128 5.492 10.198 -13.229 1.00 0.01 H new ATOM 0 HA SER A 128 2.640 10.578 -12.657 1.00 0.01 H new ATOM 0 HB2 SER A 128 3.062 12.479 -14.210 1.00 0.01 H new ATOM 0 HB3 SER A 128 3.785 11.383 -15.370 1.00 0.01 H new ATOM 0 HG SER A 128 1.830 10.865 -16.020 1.00 0.01 H new ATOM 2004 N CYS A 129 2.252 8.409 -14.018 1.00 0.01 N ATOM 2005 CA CYS A 129 2.206 7.005 -14.517 1.00 0.01 C ATOM 2006 C CYS A 129 0.750 6.563 -14.679 1.00 0.00 C ATOM 2007 O CYS A 129 -0.118 6.972 -13.929 1.00 0.01 O ATOM 2008 CB CYS A 129 2.912 6.082 -13.520 1.00 0.69 C ATOM 2009 SG CYS A 129 2.002 6.072 -11.956 1.00 1.22 S ATOM 0 H CYS A 129 1.355 8.796 -13.724 1.00 0.01 H new ATOM 0 HA CYS A 129 2.710 6.950 -15.482 1.00 0.01 H new ATOM 0 HB2 CYS A 129 2.973 5.071 -13.924 1.00 0.69 H new ATOM 0 HB3 CYS A 129 3.935 6.421 -13.356 1.00 0.69 H new ATOM 0 HG CYS A 129 0.792 6.503 -12.155 1.00 1.22 H new ATOM 2015 N LYS A 130 0.466 5.718 -15.647 1.00 0.01 N ATOM 2016 CA LYS A 130 -0.944 5.243 -15.843 1.00 0.01 C ATOM 2017 C LYS A 130 -0.989 3.722 -15.691 1.00 0.01 C ATOM 2018 O LYS A 130 -0.506 2.973 -16.517 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.460 5.639 -17.242 1.00 0.55 C ATOM 2020 CG LYS A 130 -0.818 6.954 -17.688 1.00 0.80 C ATOM 2021 CD LYS A 130 -1.384 7.346 -19.056 1.00 0.29 C ATOM 2022 CE LYS A 130 -1.013 8.795 -19.371 1.00 0.33 C ATOM 2023 NZ LYS A 130 -1.551 9.168 -20.709 1.00 1.41 N ATOM 0 H LYS A 130 1.146 5.339 -16.306 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.582 5.710 -15.093 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -1.229 4.851 -17.959 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -2.545 5.744 -17.222 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -1.020 7.738 -16.958 1.00 0.80 H new ATOM 0 HG3 LYS A 130 0.265 6.844 -17.746 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -0.990 6.684 -19.827 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -2.468 7.229 -19.059 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -1.417 9.459 -18.607 1.00 0.33 H new ATOM 0 HE3 LYS A 130 0.070 8.915 -19.357 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -1.298 10.154 -20.922 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -1.145 8.542 -21.433 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -2.586 9.069 -20.707 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.587 3.284 -14.624 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.738 1.829 -14.338 1.00 0.01 C ATOM 2039 C VAL A 131 -3.230 1.520 -14.465 1.00 0.01 C ATOM 2040 O VAL A 131 -4.045 2.207 -13.883 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.198 1.520 -12.913 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -0.126 2.548 -12.541 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -2.306 1.590 -11.851 1.00 0.01 C ATOM 0 H VAL A 131 -1.992 3.893 -13.913 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.169 1.208 -15.030 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.791 0.509 -12.933 1.00 0.01 H new ATOM 0 HG11 VAL A 131 0.254 2.333 -11.542 1.00 0.01 H new ATOM 0 HG12 VAL A 131 0.692 2.496 -13.259 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -0.560 3.548 -12.557 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.885 1.368 -10.871 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.738 2.591 -11.842 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -3.082 0.862 -12.086 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.299 -1.533 -7.264 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.821 -1.482 -7.532 1.00 0.01 C ATOM 2107 C TRP A 136 -0.150 -0.865 -6.297 1.00 0.01 C ATOM 2108 O TRP A 136 -0.703 0.032 -5.692 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.543 -0.600 -8.762 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.669 -1.402 -10.018 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.814 -1.573 -10.717 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.366 -2.135 -10.737 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.547 -2.362 -11.822 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -0.219 -2.736 -11.877 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.741 -2.335 -10.514 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.534 -3.508 -12.764 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.501 -3.112 -11.406 1.00 0.01 C ATOM 2118 CH2 TRP A 136 1.898 -3.696 -12.528 1.00 0.01 C ATOM 0 HA TRP A 136 -0.433 -2.482 -7.727 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.243 0.235 -8.784 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.458 -0.175 -8.694 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.778 -1.162 -10.456 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -2.247 -2.634 -12.512 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.215 -1.889 -9.652 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.065 -3.957 -13.627 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.556 -3.260 -11.225 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.487 -4.291 -13.210 1.00 0.01 H new ATOM 2129 N ILE A 137 1.036 -1.303 -5.913 1.00 0.01 N ATOM 2130 CA ILE A 137 1.714 -0.693 -4.717 1.00 0.00 C ATOM 2131 C ILE A 137 3.035 -0.059 -5.148 1.00 0.01 C ATOM 2132 O ILE A 137 3.831 -0.662 -5.834 1.00 0.01 O ATOM 2133 CB ILE A 137 2.045 -1.774 -3.681 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.815 -2.624 -3.359 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.542 -1.105 -2.397 1.00 1.37 C ATOM 2136 CD1 ILE A 137 1.272 -3.896 -2.627 1.00 1.69 C ATOM 0 H ILE A 137 1.557 -2.049 -6.373 1.00 0.01 H new ATOM 0 HA ILE A 137 1.041 0.050 -4.288 1.00 0.00 H new ATOM 0 HB ILE A 137 2.816 -2.424 -4.095 1.00 0.60 H new ATOM 0 HG12 ILE A 137 0.118 -2.061 -2.738 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.286 -2.885 -4.275 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.779 -1.869 -1.657 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.436 -0.520 -2.614 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.765 -0.448 -2.005 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.404 -4.512 -2.391 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.953 -4.458 -3.266 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.783 -3.621 -1.704 1.00 1.69 H new ATOM 2148 N PHE A 138 3.280 1.146 -4.710 1.00 0.01 N ATOM 2149 CA PHE A 138 4.560 1.852 -5.034 1.00 0.01 C ATOM 2150 C PHE A 138 5.344 1.948 -3.720 1.00 0.01 C ATOM 2151 O PHE A 138 4.760 2.168 -2.681 1.00 0.00 O ATOM 2152 CB PHE A 138 4.237 3.265 -5.566 1.00 1.11 C ATOM 2153 CG PHE A 138 4.123 3.286 -7.084 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.696 2.158 -7.806 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.449 4.462 -7.770 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.602 2.214 -9.201 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.355 4.516 -9.166 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.932 3.391 -9.881 1.00 2.49 C ATOM 0 H PHE A 138 2.636 1.684 -4.130 1.00 0.01 H new ATOM 0 HA PHE A 138 5.136 1.324 -5.794 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.302 3.614 -5.127 1.00 1.11 H new ATOM 0 HB3 PHE A 138 5.016 3.959 -5.251 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.440 1.248 -7.284 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.775 5.332 -7.220 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.274 1.346 -9.754 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.609 5.426 -9.690 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.860 3.431 -10.958 1.00 2.49 H new ATOM 2168 N TYR A 139 6.651 1.786 -3.747 1.00 0.01 N ATOM 2169 CA TYR A 139 7.459 1.872 -2.480 1.00 0.01 C ATOM 2170 C TYR A 139 8.544 2.944 -2.630 1.00 0.01 C ATOM 2171 O TYR A 139 9.094 3.149 -3.700 1.00 0.01 O ATOM 2172 CB TYR A 139 8.111 0.516 -2.193 1.00 0.01 C ATOM 2173 CG TYR A 139 7.072 -0.578 -2.291 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.694 -1.070 -3.543 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.495 -1.107 -1.130 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.739 -2.088 -3.639 1.00 0.01 C ATOM 2177 CE2 TYR A 139 5.539 -2.126 -1.225 1.00 0.02 C ATOM 2178 CZ TYR A 139 5.161 -2.615 -2.480 1.00 0.02 C ATOM 2179 OH TYR A 139 4.220 -3.619 -2.574 1.00 0.00 O ATOM 0 H TYR A 139 7.193 1.598 -4.591 1.00 0.01 H new ATOM 0 HA TYR A 139 6.802 2.139 -1.652 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.917 0.331 -2.904 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.558 0.519 -1.199 1.00 0.01 H new ATOM 0 HD1 TYR A 139 7.140 -0.664 -4.439 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.787 -0.729 -0.161 1.00 0.01 H new ATOM 0 HE1 TYR A 139 5.448 -2.467 -4.608 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.094 -2.534 -0.330 1.00 0.02 H new ATOM 0 HH TYR A 139 3.909 -3.861 -1.677 1.00 0.00 H new ATOM 2189 N GLU A 140 8.814 3.663 -1.569 1.00 0.01 N ATOM 2190 CA GLU A 140 9.801 4.777 -1.630 1.00 0.02 C ATOM 2191 C GLU A 140 11.243 4.260 -1.693 1.00 0.01 C ATOM 2192 O GLU A 140 12.094 4.912 -2.266 1.00 0.01 O ATOM 2193 CB GLU A 140 9.623 5.617 -0.365 1.00 0.01 C ATOM 2194 CG GLU A 140 10.406 6.923 -0.499 1.00 0.02 C ATOM 2195 CD GLU A 140 10.015 7.865 0.640 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.850 8.217 0.718 1.00 0.02 O ATOM 2197 OE2 GLU A 140 10.887 8.215 1.419 1.00 0.01 O ATOM 0 H GLU A 140 8.386 3.521 -0.654 1.00 0.01 H new ATOM 0 HA GLU A 140 9.625 5.362 -2.533 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.566 5.830 -0.204 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.972 5.060 0.505 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.477 6.723 -0.470 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.195 7.390 -1.461 1.00 0.02 H new ATOM 2204 N LEU A 141 11.550 3.117 -1.114 1.00 0.01 N ATOM 2205 CA LEU A 141 12.963 2.603 -1.154 1.00 0.02 C ATOM 2206 C LEU A 141 12.995 1.288 -1.959 1.00 0.01 C ATOM 2207 O LEU A 141 11.994 0.600 -2.053 1.00 0.01 O ATOM 2208 CB LEU A 141 13.422 2.339 0.296 1.00 0.57 C ATOM 2209 CG LEU A 141 13.962 3.637 0.933 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.888 3.535 2.461 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.422 3.871 0.521 1.00 1.24 C ATOM 0 H LEU A 141 10.887 2.521 -0.618 1.00 0.01 H new ATOM 0 HA LEU A 141 13.624 3.329 -1.627 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.588 1.957 0.885 1.00 0.57 H new ATOM 0 HB3 LEU A 141 14.196 1.572 0.305 1.00 0.57 H new ATOM 0 HG LEU A 141 13.352 4.470 0.585 1.00 0.81 H new ATOM 0 HD11 LEU A 141 14.270 4.454 2.906 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.852 3.388 2.766 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.489 2.691 2.799 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.786 4.790 0.979 1.00 1.24 H new ATOM 0 HD22 LEU A 141 16.033 3.032 0.855 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.485 3.957 -0.564 1.00 1.24 H new ATOM 2223 N PRO A 142 14.131 0.933 -2.539 1.00 0.01 N ATOM 2224 CA PRO A 142 14.227 -0.320 -3.343 1.00 0.01 C ATOM 2225 C PRO A 142 13.821 -1.564 -2.546 1.00 0.01 C ATOM 2226 O PRO A 142 13.697 -1.549 -1.338 1.00 0.01 O ATOM 2227 CB PRO A 142 15.721 -0.364 -3.739 1.00 0.01 C ATOM 2228 CG PRO A 142 16.446 0.783 -3.012 1.00 0.02 C ATOM 2229 CD PRO A 142 15.385 1.740 -2.445 1.00 0.01 C ATOM 0 HA PRO A 142 13.550 -0.319 -4.197 1.00 0.01 H new ATOM 0 HB2 PRO A 142 16.159 -1.324 -3.465 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.831 -0.260 -4.818 1.00 0.01 H new ATOM 0 HG2 PRO A 142 17.071 0.390 -2.210 1.00 0.02 H new ATOM 0 HG3 PRO A 142 17.106 1.312 -3.700 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.606 2.026 -1.417 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.319 2.660 -3.025 1.00 0.01 H new ATOM 2237 N ASN A 143 13.635 -2.641 -3.256 1.00 0.01 N ATOM 2238 CA ASN A 143 13.258 -3.938 -2.628 1.00 0.01 C ATOM 2239 C ASN A 143 11.942 -3.824 -1.859 1.00 0.01 C ATOM 2240 O ASN A 143 11.707 -4.522 -0.892 1.00 0.01 O ATOM 2241 CB ASN A 143 14.364 -4.379 -1.669 1.00 0.23 C ATOM 2242 CG ASN A 143 14.091 -5.811 -1.203 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.915 -6.703 -2.008 1.00 0.75 O ATOM 2244 ND2 ASN A 143 14.049 -6.069 0.075 1.00 0.56 N ATOM 0 H ASN A 143 13.731 -2.677 -4.271 1.00 0.01 H new ATOM 0 HA ASN A 143 13.129 -4.674 -3.422 1.00 0.01 H new ATOM 0 HB2 ASN A 143 15.333 -4.325 -2.165 1.00 0.23 H new ATOM 0 HB3 ASN A 143 14.406 -3.707 -0.811 1.00 0.23 H new ATOM 0 HD21 ASN A 143 13.868 -7.020 0.398 1.00 0.56 H new ATOM 0 HD22 ASN A 143 14.197 -5.320 0.752 1.00 0.56 H new ATOM 2251 N TYR A 144 11.064 -2.971 -2.316 1.00 0.01 N ATOM 2252 CA TYR A 144 9.733 -2.820 -1.665 1.00 0.02 C ATOM 2253 C TYR A 144 9.882 -2.450 -0.184 1.00 0.01 C ATOM 2254 O TYR A 144 9.285 -3.065 0.676 1.00 0.01 O ATOM 2255 CB TYR A 144 8.960 -4.141 -1.806 1.00 0.01 C ATOM 2256 CG TYR A 144 9.328 -4.784 -3.127 1.00 0.01 C ATOM 2257 CD1 TYR A 144 9.068 -4.109 -4.328 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.943 -6.043 -3.154 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.420 -4.693 -5.551 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.296 -6.625 -4.378 1.00 0.01 C ATOM 2261 CZ TYR A 144 10.034 -5.950 -5.576 1.00 0.01 C ATOM 2262 OH TYR A 144 10.381 -6.525 -6.781 1.00 0.01 O ATOM 0 H TYR A 144 11.216 -2.366 -3.123 1.00 0.01 H new ATOM 0 HA TYR A 144 9.186 -2.014 -2.154 1.00 0.02 H new ATOM 0 HB2 TYR A 144 9.202 -4.810 -0.980 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.887 -3.957 -1.762 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.596 -3.138 -4.310 1.00 0.01 H new ATOM 0 HD2 TYR A 144 10.145 -6.565 -2.230 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.217 -4.173 -6.476 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.771 -7.595 -4.398 1.00 0.01 H new ATOM 0 HH TYR A 144 10.798 -7.397 -6.619 1.00 0.01 H new ATOM 2272 N ARG A 145 10.669 -1.440 0.111 1.00 0.02 N ATOM 2273 CA ARG A 145 10.863 -1.010 1.538 1.00 0.01 C ATOM 2274 C ARG A 145 10.513 0.475 1.684 1.00 0.01 C ATOM 2275 O ARG A 145 10.395 1.192 0.711 1.00 0.01 O ATOM 2276 CB ARG A 145 12.330 -1.201 1.934 1.00 0.01 C ATOM 2277 CG ARG A 145 12.742 -2.668 1.746 1.00 0.02 C ATOM 2278 CD ARG A 145 11.880 -3.586 2.626 1.00 0.01 C ATOM 2279 NE ARG A 145 11.572 -2.917 3.922 1.00 0.01 N ATOM 2280 CZ ARG A 145 10.602 -3.367 4.670 1.00 0.01 C ATOM 2281 NH1 ARG A 145 9.900 -4.396 4.278 1.00 0.02 N ATOM 2282 NH2 ARG A 145 10.335 -2.788 5.810 1.00 0.01 N ATOM 0 H ARG A 145 11.187 -0.893 -0.576 1.00 0.02 H new ATOM 0 HA ARG A 145 10.217 -1.610 2.179 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.965 -0.556 1.327 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.476 -0.905 2.973 1.00 0.01 H new ATOM 0 HG2 ARG A 145 12.633 -2.951 0.699 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.794 -2.792 2.002 1.00 0.02 H new ATOM 0 HD2 ARG A 145 10.954 -3.834 2.107 1.00 0.01 H new ATOM 0 HD3 ARG A 145 12.404 -4.524 2.808 1.00 0.01 H new ATOM 0 HE ARG A 145 12.118 -2.110 4.223 1.00 0.01 H new ATOM 0 HH11 ARG A 145 10.110 -4.847 3.388 1.00 0.02 H new ATOM 0 HH12 ARG A 145 9.142 -4.748 4.862 1.00 0.02 H new ATOM 0 HH21 ARG A 145 10.885 -1.985 6.115 1.00 0.01 H new ATOM 0 HH22 ARG A 145 9.577 -3.139 6.395 1.00 0.01 H new ATOM 2296 N GLY A 146 10.337 0.944 2.896 1.00 0.01 N ATOM 2297 CA GLY A 146 9.996 2.385 3.112 1.00 0.02 C ATOM 2298 C GLY A 146 8.478 2.590 3.074 1.00 0.01 C ATOM 2299 O GLY A 146 7.705 1.656 3.153 1.00 0.02 O ATOM 0 H GLY A 146 10.415 0.388 3.748 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.390 2.718 4.072 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.471 2.996 2.344 1.00 0.02 H new ATOM 2303 N ARG A 147 8.054 3.820 2.960 1.00 0.01 N ATOM 2304 CA ARG A 147 6.593 4.118 2.920 1.00 0.01 C ATOM 2305 C ARG A 147 6.023 3.604 1.603 1.00 0.01 C ATOM 2306 O ARG A 147 6.663 3.654 0.570 1.00 0.01 O ATOM 2307 CB ARG A 147 6.383 5.630 3.012 1.00 0.01 C ATOM 2308 CG ARG A 147 4.889 5.947 2.885 1.00 0.01 C ATOM 2309 CD ARG A 147 4.639 7.409 3.263 1.00 0.01 C ATOM 2310 NE ARG A 147 3.171 7.659 3.323 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.717 8.737 3.899 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.548 9.596 4.425 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.431 8.957 3.953 1.00 0.02 N ATOM 0 H ARG A 147 8.661 4.637 2.892 1.00 0.01 H new ATOM 0 HA ARG A 147 6.089 3.632 3.756 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.766 6.004 3.962 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.941 6.134 2.223 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.554 5.763 1.864 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.311 5.289 3.534 1.00 0.01 H new ATOM 0 HD2 ARG A 147 5.097 7.631 4.227 1.00 0.01 H new ATOM 0 HD3 ARG A 147 5.102 8.070 2.531 1.00 0.01 H new ATOM 0 HE ARG A 147 2.522 6.987 2.914 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.553 9.424 4.385 1.00 0.01 H new ATOM 0 HH12 ARG A 147 3.193 10.439 4.876 1.00 0.01 H new ATOM 0 HH21 ARG A 147 0.781 8.285 3.544 1.00 0.02 H new ATOM 0 HH22 ARG A 147 1.076 9.800 4.404 1.00 0.02 H new ATOM 2327 N GLN A 148 4.827 3.073 1.650 1.00 0.01 N ATOM 2328 CA GLN A 148 4.191 2.498 0.428 1.00 0.01 C ATOM 2329 C GLN A 148 2.974 3.338 0.023 1.00 0.01 C ATOM 2330 O GLN A 148 2.288 3.898 0.854 1.00 0.01 O ATOM 2331 CB GLN A 148 3.730 1.072 0.773 1.00 0.00 C ATOM 2332 CG GLN A 148 4.728 0.423 1.736 1.00 0.02 C ATOM 2333 CD GLN A 148 4.502 -1.089 1.765 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.494 -1.574 1.289 1.00 0.02 O ATOM 2335 NE2 GLN A 148 5.402 -1.859 2.309 1.00 0.01 N ATOM 0 H GLN A 148 4.258 3.013 2.495 1.00 0.01 H new ATOM 0 HA GLN A 148 4.900 2.492 -0.400 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.739 1.100 1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.648 0.476 -0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.748 0.643 1.421 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.607 0.838 2.736 1.00 0.02 H new ATOM 0 HE21 GLN A 148 6.248 -1.452 2.708 1.00 0.01 H new ATOM 0 HE22 GLN A 148 5.261 -2.869 2.335 1.00 0.01 H new ATOM 2344 N TYR A 149 2.696 3.407 -1.255 1.00 0.01 N ATOM 2345 CA TYR A 149 1.513 4.180 -1.750 1.00 0.01 C ATOM 2346 C TYR A 149 0.633 3.248 -2.585 1.00 0.01 C ATOM 2347 O TYR A 149 1.126 2.496 -3.402 1.00 0.01 O ATOM 2348 CB TYR A 149 1.984 5.359 -2.606 1.00 0.01 C ATOM 2349 CG TYR A 149 3.109 6.076 -1.898 1.00 0.01 C ATOM 2350 CD1 TYR A 149 2.823 6.955 -0.848 1.00 0.01 C ATOM 2351 CD2 TYR A 149 4.437 5.861 -2.289 1.00 0.01 C ATOM 2352 CE1 TYR A 149 3.863 7.620 -0.188 1.00 0.01 C ATOM 2353 CE2 TYR A 149 5.477 6.526 -1.630 1.00 0.01 C ATOM 2354 CZ TYR A 149 5.190 7.406 -0.579 1.00 0.01 C ATOM 2355 OH TYR A 149 6.215 8.061 0.072 1.00 0.01 O ATOM 0 H TYR A 149 3.245 2.955 -1.986 1.00 0.01 H new ATOM 0 HA TYR A 149 0.943 4.568 -0.906 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.321 5.004 -3.580 1.00 0.01 H new ATOM 0 HB3 TYR A 149 1.157 6.046 -2.786 1.00 0.01 H new ATOM 0 HD1 TYR A 149 1.799 7.121 -0.546 1.00 0.01 H new ATOM 0 HD2 TYR A 149 4.658 5.182 -3.099 1.00 0.01 H new ATOM 0 HE1 TYR A 149 3.642 8.298 0.623 1.00 0.01 H new ATOM 0 HE2 TYR A 149 6.501 6.361 -1.932 1.00 0.01 H new ATOM 0 HH TYR A 149 7.059 7.590 -0.090 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.658 3.261 -2.379 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.547 2.342 -3.157 1.00 0.01 C ATOM 2367 C LEU A 150 -2.124 3.084 -4.364 1.00 0.01 C ATOM 2368 O LEU A 150 -2.811 4.078 -4.229 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.684 1.881 -2.233 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.538 0.795 -2.928 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -2.938 -0.591 -2.669 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -4.967 0.825 -2.373 1.00 0.01 C ATOM 0 H LEU A 150 -1.135 3.864 -1.709 1.00 0.01 H new ATOM 0 HA LEU A 150 -0.983 1.481 -3.515 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.270 1.488 -1.305 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.312 2.731 -1.967 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.551 0.995 -3.999 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.546 -1.349 -3.162 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -1.923 -0.627 -3.064 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.918 -0.784 -1.596 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.565 0.058 -2.866 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -4.945 0.634 -1.300 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.409 1.804 -2.558 1.00 0.01 H new ATOM 2384 N LEU A 151 -1.855 2.590 -5.548 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.386 3.231 -6.788 1.00 0.01 C ATOM 2386 C LEU A 151 -3.617 2.449 -7.262 1.00 0.01 C ATOM 2387 O LEU A 151 -3.720 1.250 -7.060 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.305 3.207 -7.880 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.331 4.372 -7.679 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.402 4.209 -6.345 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.686 4.384 -8.822 1.00 0.01 C ATOM 0 H LEU A 151 -1.283 1.760 -5.708 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.663 4.265 -6.583 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -0.765 2.261 -7.848 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -1.769 3.276 -8.864 1.00 0.01 H new ATOM 0 HG LEU A 151 -0.885 5.310 -7.672 1.00 0.01 H new ATOM 0 HD11 LEU A 151 1.094 5.040 -6.206 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.322 4.200 -5.531 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.957 3.271 -6.347 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.381 5.212 -8.682 1.00 0.01 H new ATOM 0 HD22 LEU A 151 1.238 3.444 -8.828 1.00 0.01 H new ATOM 0 HD23 LEU A 151 0.165 4.504 -9.772 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.552 3.119 -7.892 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.788 2.432 -8.387 1.00 0.01 C ATOM 2405 C ASP A 152 -5.754 2.365 -9.914 1.00 0.00 C ATOM 2406 O ASP A 152 -4.802 2.787 -10.541 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.017 3.228 -7.939 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.079 3.248 -6.410 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.126 3.711 -5.804 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -8.079 2.803 -5.871 1.00 2.27 O ATOM 0 H ASP A 152 -4.512 4.120 -8.086 1.00 0.01 H new ATOM 0 HA ASP A 152 -5.836 1.422 -7.981 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -6.965 4.246 -8.325 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -7.923 2.778 -8.345 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.786 1.842 -10.520 1.00 0.01 N ATOM 2416 CA LYS A 153 -6.811 1.753 -12.008 1.00 0.01 C ATOM 2417 C LYS A 153 -7.027 3.146 -12.598 1.00 0.01 C ATOM 2418 O LYS A 153 -7.688 3.304 -13.604 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.950 0.834 -12.459 1.00 0.38 C ATOM 2420 CG LYS A 153 -9.275 1.328 -11.875 1.00 0.71 C ATOM 2421 CD LYS A 153 -10.344 0.245 -12.044 1.00 0.72 C ATOM 2422 CE LYS A 153 -10.554 -0.050 -13.532 1.00 1.09 C ATOM 2423 NZ LYS A 153 -11.855 -0.751 -13.719 1.00 1.84 N ATOM 0 H LYS A 153 -7.612 1.473 -10.049 1.00 0.01 H new ATOM 0 HA LYS A 153 -5.861 1.347 -12.355 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -8.006 0.816 -13.547 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.756 -0.188 -12.133 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.151 1.570 -10.819 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -9.587 2.243 -12.378 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -10.040 -0.663 -11.523 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -11.281 0.573 -11.593 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -10.543 0.878 -14.103 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -9.739 -0.666 -13.910 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -11.999 -0.952 -14.729 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -11.848 -1.644 -13.186 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -12.628 -0.147 -13.373 1.00 1.84 H new ATOM 2437 N LYS A 154 -6.474 4.159 -11.977 1.00 0.00 N ATOM 2438 CA LYS A 154 -6.636 5.557 -12.491 1.00 0.01 C ATOM 2439 C LYS A 154 -5.287 6.059 -13.008 1.00 0.01 C ATOM 2440 O LYS A 154 -4.283 5.384 -12.902 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.108 6.464 -11.351 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.508 6.039 -10.901 1.00 0.48 C ATOM 2443 CD LYS A 154 -9.047 7.049 -9.885 1.00 0.97 C ATOM 2444 CE LYS A 154 -10.326 6.501 -9.251 1.00 1.44 C ATOM 2445 NZ LYS A 154 -10.011 5.258 -8.490 1.00 2.28 N ATOM 0 H LYS A 154 -5.913 4.078 -11.129 1.00 0.00 H new ATOM 0 HA LYS A 154 -7.370 5.570 -13.297 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -6.412 6.404 -10.514 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.121 7.503 -11.681 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.176 5.981 -11.761 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.472 5.044 -10.457 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.300 7.240 -9.115 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -9.250 8.001 -10.375 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -10.763 7.246 -8.586 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -11.066 6.290 -10.023 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -10.691 5.146 -7.711 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -10.074 4.437 -9.125 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -9.048 5.323 -8.102 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.258 7.242 -13.567 1.00 0.01 N ATOM 2460 CA GLU A 155 -3.978 7.803 -14.098 1.00 0.01 C ATOM 2461 C GLU A 155 -3.482 8.895 -13.154 1.00 0.01 C ATOM 2462 O GLU A 155 -4.203 9.817 -12.827 1.00 0.01 O ATOM 2463 CB GLU A 155 -4.231 8.405 -15.483 1.00 0.01 C ATOM 2464 CG GLU A 155 -5.049 7.424 -16.327 1.00 0.01 C ATOM 2465 CD GLU A 155 -4.988 7.841 -17.797 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -4.924 9.033 -18.053 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -5.006 6.962 -18.642 1.00 0.01 O ATOM 0 H GLU A 155 -6.071 7.847 -13.679 1.00 0.01 H new ATOM 0 HA GLU A 155 -3.229 7.014 -14.172 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -4.764 9.351 -15.388 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -3.283 8.622 -15.975 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -4.659 6.413 -16.208 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -6.084 7.409 -15.985 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.255 8.802 -12.710 1.00 0.00 N ATOM 2475 CA TYR A 156 -1.710 9.836 -11.784 1.00 0.01 C ATOM 2476 C TYR A 156 -0.885 10.835 -12.591 1.00 0.01 C ATOM 2477 O TYR A 156 0.136 10.495 -13.160 1.00 0.01 O ATOM 2478 CB TYR A 156 -0.843 9.148 -10.730 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.715 8.233 -9.903 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.130 7.003 -10.428 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.121 8.618 -8.618 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -2.950 6.160 -9.671 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -2.939 7.773 -7.860 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.354 6.544 -8.387 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.166 5.717 -7.642 1.00 0.01 O ATOM 0 H TYR A 156 -1.607 8.052 -12.950 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.518 10.369 -11.283 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.047 8.579 -11.210 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.364 9.891 -10.092 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.817 6.705 -11.418 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -1.802 9.567 -8.213 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.272 5.212 -10.077 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.250 8.069 -6.869 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.351 6.134 -6.775 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.356 12.051 -12.690 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.649 13.072 -13.514 1.00 0.01 C ATOM 2497 C ARG A 157 0.398 13.817 -12.694 1.00 0.00 C ATOM 2498 O ARG A 157 1.385 14.274 -13.236 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.676 14.074 -14.046 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.396 14.756 -12.872 1.00 0.01 C ATOM 2501 CD ARG A 157 -3.740 15.320 -13.344 1.00 0.00 C ATOM 2502 NE ARG A 157 -4.663 14.194 -13.659 1.00 0.01 N ATOM 2503 CZ ARG A 157 -5.942 14.414 -13.785 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -6.415 15.620 -13.634 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -6.749 13.426 -14.062 1.00 0.01 N ATOM 0 H ARG A 157 -2.205 12.381 -12.232 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.142 12.565 -14.335 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -1.181 14.822 -14.665 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -2.400 13.564 -14.681 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -2.555 14.040 -12.066 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -1.776 15.557 -12.469 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -4.173 15.955 -12.571 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -3.596 15.945 -14.225 1.00 0.00 H new ATOM 0 HE ARG A 157 -4.294 13.250 -13.776 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -5.784 16.392 -13.417 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -7.416 15.791 -13.733 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -6.379 12.483 -14.180 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -7.750 13.597 -14.161 1.00 0.01 H new ATOM 2519 N LYS A 158 0.220 13.939 -11.400 1.00 0.01 N ATOM 2520 CA LYS A 158 1.232 14.645 -10.554 1.00 0.01 C ATOM 2521 C LYS A 158 1.704 13.667 -9.467 1.00 0.01 C ATOM 2522 O LYS A 158 0.966 12.784 -9.081 1.00 0.01 O ATOM 2523 CB LYS A 158 0.562 15.859 -9.894 1.00 0.58 C ATOM 2524 CG LYS A 158 0.507 17.026 -10.885 1.00 0.97 C ATOM 2525 CD LYS A 158 -0.486 18.076 -10.382 1.00 1.44 C ATOM 2526 CE LYS A 158 -0.588 19.210 -11.401 1.00 2.13 C ATOM 2527 NZ LYS A 158 -1.757 20.074 -11.066 1.00 2.54 N ATOM 0 H LYS A 158 -0.587 13.578 -10.892 1.00 0.01 H new ATOM 0 HA LYS A 158 2.078 14.979 -11.155 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.445 15.598 -9.570 1.00 0.58 H new ATOM 0 HB3 LYS A 158 1.118 16.153 -9.003 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.496 17.470 -10.996 1.00 0.97 H new ATOM 0 HG3 LYS A 158 0.206 16.667 -11.869 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -1.465 17.622 -10.228 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -0.161 18.467 -9.418 1.00 1.44 H new ATOM 0 HE2 LYS A 158 0.328 19.801 -11.397 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -0.699 18.802 -12.406 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -1.828 20.846 -11.759 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -2.627 19.505 -11.091 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -1.632 20.473 -10.114 1.00 2.54 H new ATOM 2541 N PRO A 159 2.900 13.812 -8.948 1.00 0.01 N ATOM 2542 CA PRO A 159 3.368 12.889 -7.876 1.00 0.02 C ATOM 2543 C PRO A 159 2.480 13.006 -6.630 1.00 0.01 C ATOM 2544 O PRO A 159 2.149 12.020 -6.006 1.00 0.01 O ATOM 2545 CB PRO A 159 4.805 13.382 -7.623 1.00 0.41 C ATOM 2546 CG PRO A 159 4.964 14.749 -8.313 1.00 0.70 C ATOM 2547 CD PRO A 159 3.856 14.876 -9.368 1.00 0.28 C ATOM 0 HA PRO A 159 3.326 11.833 -8.143 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.996 13.470 -6.553 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.528 12.669 -8.018 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.891 15.556 -7.583 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.946 14.829 -8.779 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.396 15.864 -9.359 1.00 0.28 H new ATOM 0 HD3 PRO A 159 4.233 14.710 -10.377 1.00 0.28 H new ATOM 2555 N VAL A 160 2.101 14.186 -6.257 1.00 0.01 N ATOM 2556 CA VAL A 160 1.244 14.334 -5.048 1.00 0.02 C ATOM 2557 C VAL A 160 -0.083 13.597 -5.269 1.00 0.02 C ATOM 2558 O VAL A 160 -0.803 13.308 -4.334 1.00 0.02 O ATOM 2559 CB VAL A 160 0.978 15.819 -4.799 1.00 0.14 C ATOM 2560 CG1 VAL A 160 0.370 16.006 -3.409 1.00 0.86 C ATOM 2561 CG2 VAL A 160 2.294 16.595 -4.887 1.00 0.74 C ATOM 0 H VAL A 160 2.343 15.056 -6.731 1.00 0.01 H new ATOM 0 HA VAL A 160 1.750 13.907 -4.182 1.00 0.02 H new ATOM 0 HB VAL A 160 0.283 16.192 -5.551 1.00 0.14 H new ATOM 0 HG11 VAL A 160 0.181 17.065 -3.234 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -0.568 15.455 -3.345 1.00 0.86 H new ATOM 0 HG13 VAL A 160 1.063 15.631 -2.655 1.00 0.86 H new ATOM 0 HG21 VAL A 160 2.105 17.654 -4.710 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.989 16.220 -4.136 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.727 16.465 -5.879 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.424 13.302 -6.493 1.00 0.00 N ATOM 2572 CA ASP A 161 -1.716 12.606 -6.750 1.00 0.01 C ATOM 2573 C ASP A 161 -1.732 11.184 -6.157 1.00 0.01 C ATOM 2574 O ASP A 161 -2.792 10.625 -5.957 1.00 0.01 O ATOM 2575 CB ASP A 161 -1.950 12.517 -8.261 1.00 0.00 C ATOM 2576 CG ASP A 161 -3.387 12.071 -8.532 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -4.285 12.867 -8.309 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -3.566 10.942 -8.959 1.00 0.00 O ATOM 0 H ASP A 161 0.132 13.511 -7.322 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.506 13.183 -6.268 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.765 13.486 -8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -1.249 11.811 -8.707 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.587 10.597 -5.842 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.605 9.215 -5.227 1.00 0.01 C ATOM 2585 C TRP A 162 -0.389 9.307 -3.708 1.00 0.01 C ATOM 2586 O TRP A 162 -0.143 8.317 -3.049 1.00 0.01 O ATOM 2587 CB TRP A 162 0.422 8.261 -5.867 1.00 0.01 C ATOM 2588 CG TRP A 162 1.751 8.903 -6.086 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.454 9.597 -5.167 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.567 8.873 -7.291 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.647 10.010 -5.740 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.762 9.585 -7.047 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.381 8.305 -8.564 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.743 9.727 -8.030 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.366 8.446 -9.556 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.544 9.157 -9.288 1.00 0.01 C ATOM 0 H TRP A 162 0.338 11.004 -5.980 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.588 8.790 -5.427 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.547 7.387 -5.227 1.00 0.01 H new ATOM 0 HB3 TRP A 162 0.034 7.905 -6.821 1.00 0.01 H new ATOM 0 HD1 TRP A 162 2.140 9.797 -4.153 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.354 10.561 -5.254 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.476 7.757 -8.780 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.650 10.274 -7.818 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 3.215 8.004 -10.530 1.00 0.01 H new ATOM 0 HH2 TRP A 162 5.297 9.264 -10.055 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.544 10.477 -3.140 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.423 10.623 -1.653 1.00 0.01 C ATOM 2609 C GLY A 163 1.024 10.827 -1.189 1.00 0.01 C ATOM 2610 O GLY A 163 1.308 10.769 -0.009 1.00 0.01 O ATOM 0 H GLY A 163 -0.750 11.341 -3.642 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.027 11.469 -1.326 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -0.832 9.735 -1.171 1.00 0.01 H new ATOM 2614 N ALA A 164 1.942 11.054 -2.088 1.00 0.01 N ATOM 2615 CA ALA A 164 3.371 11.246 -1.672 1.00 0.02 C ATOM 2616 C ALA A 164 3.717 12.736 -1.642 1.00 0.01 C ATOM 2617 O ALA A 164 3.310 13.503 -2.490 1.00 0.02 O ATOM 2618 CB ALA A 164 4.283 10.575 -2.695 1.00 0.01 C ATOM 0 H ALA A 164 1.770 11.116 -3.092 1.00 0.01 H new ATOM 0 HA ALA A 164 3.508 10.812 -0.681 1.00 0.02 H new ATOM 0 HB1 ALA A 164 5.323 10.710 -2.399 1.00 0.01 H new ATOM 0 HB2 ALA A 164 4.055 9.510 -2.743 1.00 0.01 H new ATOM 0 HB3 ALA A 164 4.123 11.024 -3.675 1.00 0.01 H new ATOM 2624 N ALA A 165 4.479 13.141 -0.661 1.00 0.02 N ATOM 2625 CA ALA A 165 4.878 14.573 -0.552 1.00 0.01 C ATOM 2626 C ALA A 165 6.104 14.830 -1.429 1.00 0.02 C ATOM 2627 O ALA A 165 6.526 15.957 -1.600 1.00 0.01 O ATOM 2628 CB ALA A 165 5.221 14.909 0.902 1.00 0.59 C ATOM 0 H ALA A 165 4.844 12.536 0.074 1.00 0.02 H new ATOM 0 HA ALA A 165 4.050 15.199 -0.883 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.512 15.957 0.974 1.00 0.59 H new ATOM 0 HB2 ALA A 165 4.350 14.730 1.532 1.00 0.59 H new ATOM 0 HB3 ALA A 165 6.046 14.280 1.236 1.00 0.59 H new ATOM 2634 N SER A 166 6.679 13.796 -1.993 1.00 0.01 N ATOM 2635 CA SER A 166 7.881 13.973 -2.870 1.00 0.01 C ATOM 2636 C SER A 166 7.770 13.018 -4.075 1.00 0.02 C ATOM 2637 O SER A 166 7.188 11.957 -3.956 1.00 0.01 O ATOM 2638 CB SER A 166 9.138 13.630 -2.068 1.00 0.72 C ATOM 2639 OG SER A 166 9.223 12.220 -1.911 1.00 0.87 O ATOM 0 H SER A 166 6.366 12.831 -1.884 1.00 0.01 H new ATOM 0 HA SER A 166 7.937 15.003 -3.221 1.00 0.01 H new ATOM 0 HB2 SER A 166 10.024 14.005 -2.580 1.00 0.72 H new ATOM 0 HB3 SER A 166 9.105 14.115 -1.092 1.00 0.72 H new ATOM 0 HG SER A 166 10.028 11.996 -1.399 1.00 0.87 H new ATOM 2645 N PRO A 167 8.324 13.358 -5.227 1.00 0.02 N ATOM 2646 CA PRO A 167 8.247 12.444 -6.406 1.00 0.01 C ATOM 2647 C PRO A 167 9.196 11.249 -6.262 1.00 0.01 C ATOM 2648 O PRO A 167 9.515 10.578 -7.229 1.00 0.01 O ATOM 2649 CB PRO A 167 8.708 13.362 -7.549 1.00 0.38 C ATOM 2650 CG PRO A 167 9.505 14.513 -6.917 1.00 0.35 C ATOM 2651 CD PRO A 167 9.048 14.648 -5.455 1.00 0.22 C ATOM 0 HA PRO A 167 7.259 12.007 -6.548 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.325 12.811 -8.259 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.851 13.746 -8.103 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.575 14.310 -6.966 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.331 15.442 -7.460 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.891 14.767 -4.775 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.398 15.511 -5.310 1.00 0.22 H new ATOM 2659 N ALA A 168 9.676 10.993 -5.075 1.00 0.01 N ATOM 2660 CA ALA A 168 10.627 9.863 -4.903 1.00 0.01 C ATOM 2661 C ALA A 168 9.877 8.535 -4.780 1.00 0.01 C ATOM 2662 O ALA A 168 9.097 8.312 -3.878 1.00 0.02 O ATOM 2663 CB ALA A 168 11.455 10.090 -3.637 1.00 0.18 C ATOM 0 H ALA A 168 9.452 11.513 -4.226 1.00 0.01 H new ATOM 0 HA ALA A 168 11.276 9.818 -5.777 1.00 0.01 H new ATOM 0 HB1 ALA A 168 12.154 9.264 -3.506 1.00 0.18 H new ATOM 0 HB2 ALA A 168 12.010 11.024 -3.728 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.792 10.144 -2.774 1.00 0.18 H new ATOM 2669 N ILE A 169 10.166 7.659 -5.698 1.00 0.01 N ATOM 2670 CA ILE A 169 9.559 6.297 -5.731 1.00 0.01 C ATOM 2671 C ILE A 169 10.620 5.389 -6.362 1.00 0.01 C ATOM 2672 O ILE A 169 11.115 5.671 -7.435 1.00 0.01 O ATOM 2673 CB ILE A 169 8.262 6.352 -6.580 1.00 1.81 C ATOM 2674 CG1 ILE A 169 7.030 6.641 -5.673 1.00 2.75 C ATOM 2675 CG2 ILE A 169 8.047 5.029 -7.334 1.00 2.24 C ATOM 2676 CD1 ILE A 169 6.009 7.514 -6.419 1.00 3.99 C ATOM 0 H ILE A 169 10.824 7.837 -6.457 1.00 0.01 H new ATOM 0 HA ILE A 169 9.282 5.922 -4.746 1.00 0.01 H new ATOM 0 HB ILE A 169 8.370 7.158 -7.306 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.564 5.703 -5.371 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.352 7.145 -4.761 1.00 2.75 H new ATOM 0 HG21 ILE A 169 7.132 5.090 -7.923 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.893 4.846 -7.996 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.964 4.211 -6.618 1.00 2.24 H new ATOM 0 HD11 ILE A 169 5.154 7.707 -5.772 1.00 3.99 H new ATOM 0 HD12 ILE A 169 6.474 8.460 -6.698 1.00 3.99 H new ATOM 0 HD13 ILE A 169 5.674 6.995 -7.317 1.00 3.99 H new ATOM 2688 N GLN A 170 11.016 4.336 -5.681 1.00 0.01 N ATOM 2689 CA GLN A 170 12.100 3.449 -6.217 1.00 0.01 C ATOM 2690 C GLN A 170 11.598 2.056 -6.614 1.00 0.02 C ATOM 2691 O GLN A 170 12.314 1.337 -7.280 1.00 0.01 O ATOM 2692 CB GLN A 170 13.183 3.298 -5.147 1.00 2.62 C ATOM 2693 CG GLN A 170 13.707 4.683 -4.762 1.00 3.39 C ATOM 2694 CD GLN A 170 14.437 5.300 -5.956 1.00 4.36 C ATOM 2695 OE1 GLN A 170 15.349 4.708 -6.498 1.00 4.83 O ATOM 2696 NE2 GLN A 170 14.070 6.470 -6.395 1.00 5.17 N ATOM 0 H GLN A 170 10.635 4.054 -4.778 1.00 0.01 H new ATOM 0 HA GLN A 170 12.488 3.920 -7.120 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.777 2.793 -4.270 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.998 2.679 -5.522 1.00 2.62 H new ATOM 0 HG2 GLN A 170 12.881 5.324 -4.456 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.382 4.605 -3.910 1.00 3.39 H new ATOM 0 HE21 GLN A 170 13.304 6.968 -5.941 1.00 5.17 H new ATOM 0 HE22 GLN A 170 14.548 6.888 -7.193 1.00 5.17 H new ATOM 2705 N SER A 171 10.413 1.625 -6.254 1.00 0.01 N ATOM 2706 CA SER A 171 10.003 0.248 -6.686 1.00 0.01 C ATOM 2707 C SER A 171 8.477 0.135 -6.692 1.00 0.01 C ATOM 2708 O SER A 171 7.783 0.894 -6.045 1.00 0.01 O ATOM 2709 CB SER A 171 10.590 -0.788 -5.721 1.00 0.01 C ATOM 2710 OG SER A 171 9.665 -1.028 -4.669 1.00 0.02 O ATOM 0 H SER A 171 9.732 2.144 -5.700 1.00 0.01 H new ATOM 0 HA SER A 171 10.379 0.063 -7.692 1.00 0.01 H new ATOM 0 HB2 SER A 171 10.804 -1.716 -6.252 1.00 0.01 H new ATOM 0 HB3 SER A 171 11.535 -0.428 -5.314 1.00 0.01 H new ATOM 0 HG SER A 171 9.513 -1.992 -4.581 1.00 0.02 H new ATOM 2716 N PHE A 172 7.950 -0.830 -7.407 1.00 0.01 N ATOM 2717 CA PHE A 172 6.465 -1.009 -7.439 1.00 0.01 C ATOM 2718 C PHE A 172 6.115 -2.475 -7.704 1.00 0.01 C ATOM 2719 O PHE A 172 6.889 -3.216 -8.279 1.00 0.01 O ATOM 2720 CB PHE A 172 5.836 -0.112 -8.514 1.00 1.06 C ATOM 2721 CG PHE A 172 6.444 -0.388 -9.873 1.00 0.75 C ATOM 2722 CD1 PHE A 172 6.069 -1.529 -10.595 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.368 0.511 -10.420 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.622 -1.770 -11.859 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.917 0.271 -11.684 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.545 -0.869 -12.403 1.00 1.92 C ATOM 0 H PHE A 172 8.481 -1.498 -7.967 1.00 0.01 H new ATOM 0 HA PHE A 172 6.062 -0.720 -6.469 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.760 -0.282 -8.551 1.00 1.06 H new ATOM 0 HB3 PHE A 172 5.984 0.935 -8.251 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.354 -2.222 -10.177 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.657 1.391 -9.865 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.336 -2.651 -12.414 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.628 0.966 -12.105 1.00 2.02 H new ATOM 0 HZ PHE A 172 7.970 -1.055 -13.378 1.00 1.92 H new ATOM 2736 N ARG A 173 4.959 -2.907 -7.261 1.00 0.01 N ATOM 2737 CA ARG A 173 4.558 -4.336 -7.459 1.00 0.01 C ATOM 2738 C ARG A 173 3.053 -4.428 -7.716 1.00 0.01 C ATOM 2739 O ARG A 173 2.271 -3.647 -7.212 1.00 0.01 O ATOM 2740 CB ARG A 173 4.860 -5.134 -6.186 1.00 0.01 C ATOM 2741 CG ARG A 173 6.365 -5.226 -5.945 1.00 0.01 C ATOM 2742 CD ARG A 173 6.618 -6.079 -4.696 1.00 0.01 C ATOM 2743 NE ARG A 173 6.302 -5.286 -3.474 1.00 0.01 N ATOM 2744 CZ ARG A 173 6.151 -5.890 -2.328 1.00 0.01 C ATOM 2745 NH1 ARG A 173 6.266 -7.186 -2.255 1.00 0.01 N ATOM 2746 NH2 ARG A 173 5.885 -5.197 -1.256 1.00 0.01 N ATOM 0 H ARG A 173 4.275 -2.331 -6.770 1.00 0.01 H new ATOM 0 HA ARG A 173 5.113 -4.735 -8.308 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.379 -4.658 -5.331 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.439 -6.136 -6.272 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.859 -5.669 -6.810 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.787 -4.230 -5.813 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.003 -6.978 -4.727 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.658 -6.405 -4.671 1.00 0.01 H new ATOM 0 HE ARG A 173 6.204 -4.272 -3.534 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.474 -7.728 -3.094 1.00 0.01 H new ATOM 0 HH12 ARG A 173 6.148 -7.659 -1.359 1.00 0.01 H new ATOM 0 HH21 ARG A 173 5.795 -4.183 -1.314 1.00 0.01 H new ATOM 0 HH22 ARG A 173 5.767 -5.669 -0.360 1.00 0.01 H new ATOM 2760 N ARG A 174 2.643 -5.405 -8.480 1.00 0.01 N ATOM 2761 CA ARG A 174 1.190 -5.587 -8.756 1.00 0.01 C ATOM 2762 C ARG A 174 0.586 -6.446 -7.644 1.00 0.01 C ATOM 2763 O ARG A 174 1.196 -7.388 -7.181 1.00 0.01 O ATOM 2764 CB ARG A 174 0.996 -6.299 -10.098 1.00 0.01 C ATOM 2765 CG ARG A 174 1.938 -7.501 -10.185 1.00 0.01 C ATOM 2766 CD ARG A 174 1.637 -8.289 -11.460 1.00 0.01 C ATOM 2767 NE ARG A 174 1.642 -7.359 -12.626 1.00 0.01 N ATOM 2768 CZ ARG A 174 1.697 -7.833 -13.839 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.748 -9.120 -14.033 1.00 0.01 N ATOM 2770 NH2 ARG A 174 1.702 -7.020 -14.857 1.00 0.01 N ATOM 0 H ARG A 174 3.256 -6.087 -8.926 1.00 0.01 H new ATOM 0 HA ARG A 174 0.702 -4.613 -8.795 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -0.038 -6.627 -10.200 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.194 -5.609 -10.918 1.00 0.01 H new ATOM 0 HG2 ARG A 174 2.975 -7.165 -10.188 1.00 0.01 H new ATOM 0 HG3 ARG A 174 1.812 -8.140 -9.311 1.00 0.01 H new ATOM 0 HD2 ARG A 174 2.382 -9.072 -11.602 1.00 0.01 H new ATOM 0 HD3 ARG A 174 0.668 -8.781 -11.377 1.00 0.01 H new ATOM 0 HE ARG A 174 1.602 -6.351 -12.474 1.00 0.01 H new ATOM 0 HH11 ARG A 174 1.745 -9.756 -13.236 1.00 0.01 H new ATOM 0 HH12 ARG A 174 1.791 -9.491 -14.982 1.00 0.01 H new ATOM 0 HH21 ARG A 174 1.663 -6.012 -14.705 1.00 0.01 H new ATOM 0 HH22 ARG A 174 1.745 -7.391 -15.806 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.612 -6.140 -7.219 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.246 -6.966 -6.141 1.00 0.01 C ATOM 2786 C ILE A 175 -2.116 -8.053 -6.776 1.00 0.00 C ATOM 2787 O ILE A 175 -2.941 -7.782 -7.625 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.106 -6.092 -5.233 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.283 -4.880 -4.770 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.535 -6.913 -4.016 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.135 -3.924 -3.910 1.00 3.04 C ATOM 0 H ILE A 175 -1.176 -5.364 -7.565 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.459 -7.425 -5.543 1.00 0.01 H new ATOM 0 HB ILE A 175 -2.987 -5.747 -5.773 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.421 -5.220 -4.196 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -0.897 -4.346 -5.638 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -3.150 -6.297 -3.360 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -3.110 -7.779 -4.345 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.651 -7.249 -3.474 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.526 -3.076 -3.597 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -2.982 -3.566 -4.495 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.499 -4.454 -3.030 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.931 -9.287 -6.372 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.737 -10.410 -6.948 1.00 0.00 C ATOM 2805 C VAL A 176 -3.167 -11.365 -5.831 1.00 0.01 C ATOM 2806 O VAL A 176 -2.477 -11.539 -4.846 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.886 -11.184 -7.958 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.744 -10.363 -9.242 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -0.500 -11.443 -7.364 1.00 1.89 C ATOM 0 H VAL A 176 -1.252 -9.566 -5.664 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.618 -9.999 -7.440 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.368 -12.135 -8.186 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -1.138 -10.914 -9.961 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.731 -10.177 -9.666 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -1.262 -9.412 -9.015 1.00 1.88 H new ATOM 0 HG21 VAL A 176 0.107 -11.994 -8.083 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -0.018 -10.492 -7.136 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -0.600 -12.028 -6.449 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.302 -11.992 -5.982 1.00 0.01 N ATOM 2820 CA GLU A 177 -4.784 -12.943 -4.938 1.00 0.01 C ATOM 2821 C GLU A 177 -5.730 -13.963 -5.573 1.00 0.01 C ATOM 2822 O GLU A 177 -5.402 -14.603 -6.552 1.00 0.01 O ATOM 2823 CB GLU A 177 -5.523 -12.168 -3.843 1.00 2.15 C ATOM 2824 CG GLU A 177 -5.664 -13.042 -2.592 1.00 3.19 C ATOM 2825 CD GLU A 177 -6.252 -12.207 -1.452 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -7.466 -12.110 -1.378 1.00 4.77 O ATOM 2827 OE2 GLU A 177 -5.476 -11.680 -0.672 1.00 4.89 O ATOM 0 H GLU A 177 -4.919 -11.886 -6.787 1.00 0.01 H new ATOM 0 HA GLU A 177 -3.933 -13.464 -4.500 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -4.979 -11.255 -3.600 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -6.508 -11.867 -4.200 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -6.308 -13.896 -2.802 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -4.692 -13.440 -2.302 1.00 3.19 H new