USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 915 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 37 ASN : amide:sc= -0.597 K(o=-4.9,f=-9.1!) USER MOD Set 1.2: A 60 MET CE :methyl -178:sc= -4.34 (180deg=-4.02) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -52:sc= -0.424 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -160:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.71 K(o=-1.7,f=-5.9!) USER MOD Single : A 45 SER OG : rot 79:sc= 0.133 USER MOD Single : A 46 LYS NZ :NH3+ -146:sc= 0.65 (180deg=-0.00138) USER MOD Single : A 47 THR OG1 : rot 20:sc= 0.134 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0742 USER MOD Single : A 57 MET CE :methyl -138:sc= -2.56 (180deg=-4.96!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -6.05! C(o=-6!,f=-4.5!) USER MOD Single : A 70 LYS NZ :NH3+ 137:sc= 0.195 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 73 HIS : no HE2:sc= -5.35! C(o=-5.4!,f=-5.8!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -153:sc= -0.391 (180deg=-2.35!) USER MOD Single : A 82 THR OG1 : rot 82:sc= 0.225 USER MOD Single : A 84 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.099) USER MOD Single : A 85 SER OG : rot 117:sc= -0.594 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 96 GLN : amide:sc=-0.00462 X(o=-0.0046,f=-0.022) USER MOD Single : A 101 TYR OH : rot -113:sc= 0.225 USER MOD Single : A 104 LYS NZ :NH3+ -147:sc= 0.15 (180deg=-0.11) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.0556 X(o=-0.056,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 -0.598 3.833 -0.966 1.00 53.50 N ATOM 36 CA ARG A 3 -1.602 4.825 -0.598 1.00 22.11 C ATOM 37 C ARG A 3 -2.175 4.530 0.785 1.00 15.30 C ATOM 38 O ARG A 3 -2.020 3.429 1.311 1.00 5.33 O ATOM 39 CB ARG A 3 -2.727 4.851 -1.634 1.00 14.44 C ATOM 40 CG ARG A 3 -3.611 6.084 -1.541 1.00 14.40 C ATOM 41 CD ARG A 3 -4.926 5.776 -0.841 1.00 4.32 C ATOM 42 NE ARG A 3 -6.028 5.628 -1.787 1.00 13.42 N ATOM 43 CZ ARG A 3 -7.237 5.197 -1.445 1.00 31.51 C ATOM 44 NH1 ARG A 3 -7.497 4.872 -0.186 1.00 12.11 N ATOM 45 NH2 ARG A 3 -8.189 5.089 -2.363 1.00 62.12 N ATOM 0 HA ARG A 3 -1.120 5.802 -0.572 1.00 22.11 H new ATOM 0 HB2 ARG A 3 -2.292 4.801 -2.632 1.00 14.44 H new ATOM 0 HB3 ARG A 3 -3.344 3.961 -1.510 1.00 14.44 H new ATOM 0 HG2 ARG A 3 -3.085 6.870 -0.999 1.00 14.40 H new ATOM 0 HG3 ARG A 3 -3.811 6.466 -2.542 1.00 14.40 H new ATOM 0 HD2 ARG A 3 -4.821 4.860 -0.260 1.00 4.32 H new ATOM 0 HD3 ARG A 3 -5.158 6.575 -0.137 1.00 4.32 H new ATOM 0 HE ARG A 3 -5.860 5.869 -2.764 1.00 13.42 H new ATOM 0 HH11 ARG A 3 -6.768 4.953 0.523 1.00 12.11 H new ATOM 0 HH12 ARG A 3 -8.426 4.541 0.074 1.00 12.11 H new ATOM 0 HH21 ARG A 3 -7.993 5.337 -3.333 1.00 62.12 H new ATOM 0 HH22 ARG A 3 -9.117 4.758 -2.099 1.00 62.12 H new ATOM 59 N GLY A 4 -2.840 5.523 1.369 1.00 42.44 N ATOM 60 CA GLY A 4 -3.426 5.351 2.685 1.00 2.00 C ATOM 61 C GLY A 4 -3.877 6.663 3.295 1.00 2.32 C ATOM 62 O GLY A 4 -3.675 7.728 2.711 1.00 14.52 O ATOM 0 H GLY A 4 -2.983 6.443 0.954 1.00 42.44 H new ATOM 0 HA2 GLY A 4 -4.278 4.675 2.614 1.00 2.00 H new ATOM 0 HA3 GLY A 4 -2.698 4.879 3.345 1.00 2.00 H new ATOM 66 N ILE A 5 -4.490 6.587 4.472 1.00 43.14 N ATOM 67 CA ILE A 5 -4.971 7.778 5.160 1.00 2.33 C ATOM 68 C ILE A 5 -3.821 8.540 5.810 1.00 45.12 C ATOM 69 O ILE A 5 -2.860 7.941 6.295 1.00 53.34 O ATOM 70 CB ILE A 5 -6.011 7.423 6.239 1.00 2.34 C ATOM 71 CG1 ILE A 5 -7.180 6.656 5.619 1.00 52.11 C ATOM 72 CG2 ILE A 5 -6.506 8.684 6.933 1.00 64.30 C ATOM 73 CD1 ILE A 5 -8.267 6.306 6.611 1.00 72.33 C ATOM 0 H ILE A 5 -4.665 5.713 4.968 1.00 43.14 H new ATOM 0 HA ILE A 5 -5.442 8.409 4.406 1.00 2.33 H new ATOM 0 HB ILE A 5 -5.536 6.784 6.984 1.00 2.34 H new ATOM 0 HG12 ILE A 5 -7.611 7.254 4.816 1.00 52.11 H new ATOM 0 HG13 ILE A 5 -6.803 5.739 5.167 1.00 52.11 H new ATOM 0 HG21 ILE A 5 -7.240 8.417 7.693 1.00 64.30 H new ATOM 0 HG22 ILE A 5 -5.666 9.194 7.404 1.00 64.30 H new ATOM 0 HG23 ILE A 5 -6.967 9.346 6.200 1.00 64.30 H new ATOM 0 HD11 ILE A 5 -9.063 5.763 6.102 1.00 72.33 H new ATOM 0 HD12 ILE A 5 -7.851 5.682 7.402 1.00 72.33 H new ATOM 0 HD13 ILE A 5 -8.671 7.220 7.045 1.00 72.33 H new ATOM 85 N VAL A 6 -3.925 9.865 5.818 1.00 52.34 N ATOM 86 CA VAL A 6 -2.895 10.710 6.410 1.00 33.05 C ATOM 87 C VAL A 6 -3.498 11.697 7.404 1.00 74.40 C ATOM 88 O VAL A 6 -4.088 12.704 7.013 1.00 3.23 O ATOM 89 CB VAL A 6 -2.122 11.492 5.332 1.00 3.14 C ATOM 90 CG1 VAL A 6 -1.101 12.419 5.974 1.00 24.14 C ATOM 91 CG2 VAL A 6 -1.448 10.535 4.361 1.00 74.05 C ATOM 0 H VAL A 6 -4.713 10.377 5.421 1.00 52.34 H new ATOM 0 HA VAL A 6 -2.205 10.048 6.933 1.00 33.05 H new ATOM 0 HB VAL A 6 -2.831 12.103 4.772 1.00 3.14 H new ATOM 0 HG11 VAL A 6 -0.564 12.963 5.197 1.00 24.14 H new ATOM 0 HG12 VAL A 6 -1.612 13.127 6.626 1.00 24.14 H new ATOM 0 HG13 VAL A 6 -0.394 11.832 6.560 1.00 24.14 H new ATOM 0 HG21 VAL A 6 -0.906 11.105 3.606 1.00 74.05 H new ATOM 0 HG22 VAL A 6 -0.751 9.897 4.904 1.00 74.05 H new ATOM 0 HG23 VAL A 6 -2.203 9.917 3.876 1.00 74.05 H new ATOM 101 N TRP A 7 -3.347 11.400 8.690 1.00 44.05 N ATOM 102 CA TRP A 7 -3.876 12.262 9.740 1.00 33.12 C ATOM 103 C TRP A 7 -2.775 13.131 10.338 1.00 54.01 C ATOM 104 O TRP A 7 -1.751 12.625 10.796 1.00 30.40 O ATOM 105 CB TRP A 7 -4.531 11.420 10.837 1.00 3.30 C ATOM 106 CG TRP A 7 -5.849 10.836 10.430 1.00 34.30 C ATOM 107 CD1 TRP A 7 -6.457 10.953 9.213 1.00 52.23 C ATOM 108 CD2 TRP A 7 -6.723 10.044 11.242 1.00 11.13 C ATOM 109 NE1 TRP A 7 -7.656 10.282 9.219 1.00 14.34 N ATOM 110 CE2 TRP A 7 -7.842 9.715 10.452 1.00 12.34 C ATOM 111 CE3 TRP A 7 -6.668 9.579 12.559 1.00 53.30 C ATOM 112 CZ2 TRP A 7 -8.895 8.945 10.938 1.00 14.02 C ATOM 113 CZ3 TRP A 7 -7.715 8.815 13.040 1.00 45.13 C ATOM 114 CH2 TRP A 7 -8.815 8.503 12.231 1.00 55.41 C ATOM 0 H TRP A 7 -2.863 10.569 9.030 1.00 44.05 H new ATOM 0 HA TRP A 7 -4.627 12.915 9.296 1.00 33.12 H new ATOM 0 HB2 TRP A 7 -3.855 10.612 11.118 1.00 3.30 H new ATOM 0 HB3 TRP A 7 -4.674 12.038 11.723 1.00 3.30 H new ATOM 0 HD1 TRP A 7 -6.054 11.494 8.369 1.00 52.23 H new ATOM 0 HE1 TRP A 7 -8.303 10.217 8.433 1.00 14.34 H new ATOM 0 HE3 TRP A 7 -5.823 9.812 13.190 1.00 53.30 H new ATOM 0 HZ2 TRP A 7 -9.745 8.705 10.317 1.00 14.02 H new ATOM 0 HZ3 TRP A 7 -7.684 8.453 14.057 1.00 45.13 H new ATOM 0 HH2 TRP A 7 -9.616 7.902 12.635 1.00 55.41 H new ATOM 125 N VAL A 8 -2.993 14.442 10.331 1.00 41.44 N ATOM 126 CA VAL A 8 -2.019 15.382 10.874 1.00 71.14 C ATOM 127 C VAL A 8 -2.684 16.380 11.814 1.00 11.42 C ATOM 128 O VAL A 8 -3.497 17.203 11.391 1.00 64.33 O ATOM 129 CB VAL A 8 -1.297 16.152 9.752 1.00 3.13 C ATOM 130 CG1 VAL A 8 -0.114 16.927 10.313 1.00 11.30 C ATOM 131 CG2 VAL A 8 -0.848 15.199 8.655 1.00 21.32 C ATOM 0 H VAL A 8 -3.835 14.878 9.955 1.00 41.44 H new ATOM 0 HA VAL A 8 -1.288 14.795 11.430 1.00 71.14 H new ATOM 0 HB VAL A 8 -1.996 16.866 9.317 1.00 3.13 H new ATOM 0 HG11 VAL A 8 0.384 17.465 9.506 1.00 11.30 H new ATOM 0 HG12 VAL A 8 -0.466 17.638 11.060 1.00 11.30 H new ATOM 0 HG13 VAL A 8 0.589 16.234 10.775 1.00 11.30 H new ATOM 0 HG21 VAL A 8 -0.340 15.760 7.871 1.00 21.32 H new ATOM 0 HG22 VAL A 8 -0.165 14.459 9.073 1.00 21.32 H new ATOM 0 HG23 VAL A 8 -1.717 14.693 8.234 1.00 21.32 H new ATOM 141 N VAL A 9 -2.333 16.304 13.094 1.00 34.41 N ATOM 142 CA VAL A 9 -2.895 17.202 14.096 1.00 61.11 C ATOM 143 C VAL A 9 -1.910 18.308 14.456 1.00 4.01 C ATOM 144 O VAL A 9 -0.888 18.059 15.096 1.00 2.12 O ATOM 145 CB VAL A 9 -3.286 16.440 15.376 1.00 4.45 C ATOM 146 CG1 VAL A 9 -2.085 15.700 15.945 1.00 22.10 C ATOM 147 CG2 VAL A 9 -3.870 17.395 16.406 1.00 10.43 C ATOM 0 H VAL A 9 -1.662 15.630 13.461 1.00 34.41 H new ATOM 0 HA VAL A 9 -3.790 17.645 13.659 1.00 61.11 H new ATOM 0 HB VAL A 9 -4.049 15.704 15.121 1.00 4.45 H new ATOM 0 HG11 VAL A 9 -2.381 15.168 16.849 1.00 22.10 H new ATOM 0 HG12 VAL A 9 -1.715 14.987 15.209 1.00 22.10 H new ATOM 0 HG13 VAL A 9 -1.298 16.415 16.186 1.00 22.10 H new ATOM 0 HG21 VAL A 9 -4.141 16.840 17.304 1.00 10.43 H new ATOM 0 HG22 VAL A 9 -3.130 18.155 16.658 1.00 10.43 H new ATOM 0 HG23 VAL A 9 -4.758 17.875 15.995 1.00 10.43 H new ATOM 157 N ASP A 10 -2.224 19.530 14.041 1.00 5.34 N ATOM 158 CA ASP A 10 -1.367 20.676 14.322 1.00 45.54 C ATOM 159 C ASP A 10 -2.157 21.979 14.239 1.00 24.21 C ATOM 160 O ASP A 10 -3.188 22.050 13.570 1.00 22.42 O ATOM 161 CB ASP A 10 -0.193 20.715 13.341 1.00 21.55 C ATOM 162 CG ASP A 10 -0.644 20.895 11.905 1.00 3.23 C ATOM 163 OD1 ASP A 10 -0.913 22.048 11.509 1.00 13.22 O ATOM 164 OD2 ASP A 10 -0.728 19.883 11.178 1.00 44.53 O ATOM 0 H ASP A 10 -3.065 19.753 13.509 1.00 5.34 H new ATOM 0 HA ASP A 10 -0.981 20.569 15.336 1.00 45.54 H new ATOM 0 HB2 ASP A 10 0.477 21.530 13.613 1.00 21.55 H new ATOM 0 HB3 ASP A 10 0.379 19.791 13.426 1.00 21.55 H new ATOM 169 N ASP A 11 -1.667 23.006 14.924 1.00 43.31 N ATOM 170 CA ASP A 11 -2.327 24.307 14.928 1.00 22.33 C ATOM 171 C ASP A 11 -1.533 25.322 14.112 1.00 22.12 C ATOM 172 O ASP A 11 -0.792 26.135 14.665 1.00 22.35 O ATOM 173 CB ASP A 11 -2.500 24.810 16.362 1.00 21.33 C ATOM 174 CG ASP A 11 -3.914 24.621 16.876 1.00 62.55 C ATOM 175 OD1 ASP A 11 -4.268 23.477 17.229 1.00 31.31 O ATOM 176 OD2 ASP A 11 -4.666 25.616 16.923 1.00 54.31 O ATOM 0 H ASP A 11 -0.815 22.963 15.484 1.00 43.31 H new ATOM 0 HA ASP A 11 -3.310 24.190 14.471 1.00 22.33 H new ATOM 0 HB2 ASP A 11 -1.806 24.282 17.015 1.00 21.33 H new ATOM 0 HB3 ASP A 11 -2.239 25.867 16.407 1.00 21.33 H new ATOM 181 N ASP A 12 -1.692 25.268 12.795 1.00 51.45 N ATOM 182 CA ASP A 12 -0.990 26.183 11.902 1.00 52.23 C ATOM 183 C ASP A 12 -1.361 25.914 10.447 1.00 51.03 C ATOM 184 O ASP A 12 -0.933 24.920 9.860 1.00 0.03 O ATOM 185 CB ASP A 12 0.522 26.052 12.088 1.00 22.32 C ATOM 186 CG ASP A 12 1.110 27.204 12.878 1.00 5.22 C ATOM 187 OD1 ASP A 12 1.096 28.343 12.366 1.00 12.54 O ATOM 188 OD2 ASP A 12 1.585 26.967 14.009 1.00 52.04 O ATOM 0 H ASP A 12 -2.301 24.600 12.321 1.00 51.45 H new ATOM 0 HA ASP A 12 -1.292 27.200 12.153 1.00 52.23 H new ATOM 0 HB2 ASP A 12 0.742 25.115 12.599 1.00 22.32 H new ATOM 0 HB3 ASP A 12 1.002 26.003 11.111 1.00 22.32 H new ATOM 193 N SER A 13 -2.161 26.806 9.870 1.00 23.24 N ATOM 194 CA SER A 13 -2.594 26.662 8.485 1.00 24.03 C ATOM 195 C SER A 13 -1.393 26.552 7.550 1.00 74.32 C ATOM 196 O SER A 13 -1.490 25.982 6.463 1.00 61.11 O ATOM 197 CB SER A 13 -3.466 27.850 8.076 1.00 75.33 C ATOM 198 OG SER A 13 -2.674 28.931 7.617 1.00 63.02 O ATOM 0 H SER A 13 -2.522 27.636 10.341 1.00 23.24 H new ATOM 0 HA SER A 13 -3.180 25.746 8.406 1.00 24.03 H new ATOM 0 HB2 SER A 13 -4.158 27.544 7.292 1.00 75.33 H new ATOM 0 HB3 SER A 13 -4.069 28.172 8.925 1.00 75.33 H new ATOM 0 HG SER A 13 -3.256 29.677 7.360 1.00 63.02 H new ATOM 204 N SER A 14 -0.263 27.102 7.981 1.00 64.52 N ATOM 205 CA SER A 14 0.956 27.069 7.181 1.00 4.13 C ATOM 206 C SER A 14 1.435 25.635 6.978 1.00 73.31 C ATOM 207 O SER A 14 1.971 25.291 5.924 1.00 41.40 O ATOM 208 CB SER A 14 2.055 27.894 7.854 1.00 11.51 C ATOM 209 OG SER A 14 2.687 28.757 6.924 1.00 60.31 O ATOM 0 H SER A 14 -0.166 27.576 8.879 1.00 64.52 H new ATOM 0 HA SER A 14 0.732 27.500 6.205 1.00 4.13 H new ATOM 0 HB2 SER A 14 1.627 28.481 8.667 1.00 11.51 H new ATOM 0 HB3 SER A 14 2.795 27.227 8.297 1.00 11.51 H new ATOM 0 HG SER A 14 3.384 29.274 7.379 1.00 60.31 H new ATOM 215 N ILE A 15 1.236 24.802 7.994 1.00 24.01 N ATOM 216 CA ILE A 15 1.646 23.405 7.927 1.00 20.33 C ATOM 217 C ILE A 15 0.558 22.542 7.297 1.00 52.42 C ATOM 218 O ILE A 15 0.846 21.526 6.664 1.00 54.41 O ATOM 219 CB ILE A 15 1.981 22.849 9.324 1.00 61.11 C ATOM 220 CG1 ILE A 15 2.864 23.835 10.091 1.00 45.01 C ATOM 221 CG2 ILE A 15 2.667 21.496 9.205 1.00 4.30 C ATOM 222 CD1 ILE A 15 4.131 24.211 9.354 1.00 53.42 C ATOM 0 H ILE A 15 0.794 25.070 8.873 1.00 24.01 H new ATOM 0 HA ILE A 15 2.541 23.369 7.306 1.00 20.33 H new ATOM 0 HB ILE A 15 1.052 22.716 9.878 1.00 61.11 H new ATOM 0 HG12 ILE A 15 2.291 24.739 10.297 1.00 45.01 H new ATOM 0 HG13 ILE A 15 3.129 23.399 11.054 1.00 45.01 H new ATOM 0 HG21 ILE A 15 2.897 21.116 10.200 1.00 4.30 H new ATOM 0 HG22 ILE A 15 2.006 20.796 8.694 1.00 4.30 H new ATOM 0 HG23 ILE A 15 3.590 21.605 8.636 1.00 4.30 H new ATOM 0 HD11 ILE A 15 4.708 24.913 9.957 1.00 53.42 H new ATOM 0 HD12 ILE A 15 4.725 23.316 9.171 1.00 53.42 H new ATOM 0 HD13 ILE A 15 3.874 24.676 8.402 1.00 53.42 H new ATOM 234 N ARG A 16 -0.693 22.956 7.473 1.00 70.51 N ATOM 235 CA ARG A 16 -1.825 22.221 6.921 1.00 50.24 C ATOM 236 C ARG A 16 -1.888 22.379 5.404 1.00 2.02 C ATOM 237 O ARG A 16 -2.020 21.397 4.673 1.00 14.43 O ATOM 238 CB ARG A 16 -3.132 22.708 7.549 1.00 2.34 C ATOM 239 CG ARG A 16 -3.122 22.685 9.069 1.00 33.01 C ATOM 240 CD ARG A 16 -4.062 21.622 9.616 1.00 73.12 C ATOM 241 NE ARG A 16 -4.706 22.046 10.856 1.00 12.21 N ATOM 242 CZ ARG A 16 -5.745 22.873 10.899 1.00 3.43 C ATOM 243 NH1 ARG A 16 -6.254 23.362 9.777 1.00 13.22 N ATOM 244 NH2 ARG A 16 -6.276 23.213 12.067 1.00 61.21 N ATOM 0 H ARG A 16 -0.948 23.796 7.993 1.00 70.51 H new ATOM 0 HA ARG A 16 -1.689 21.165 7.154 1.00 50.24 H new ATOM 0 HB2 ARG A 16 -3.331 23.725 7.211 1.00 2.34 H new ATOM 0 HB3 ARG A 16 -3.952 22.086 7.190 1.00 2.34 H new ATOM 0 HG2 ARG A 16 -2.109 22.495 9.424 1.00 33.01 H new ATOM 0 HG3 ARG A 16 -3.415 23.663 9.451 1.00 33.01 H new ATOM 0 HD2 ARG A 16 -4.824 21.394 8.871 1.00 73.12 H new ATOM 0 HD3 ARG A 16 -3.505 20.702 9.793 1.00 73.12 H new ATOM 0 HE ARG A 16 -4.338 21.688 11.737 1.00 12.21 H new ATOM 0 HH11 ARG A 16 -5.848 23.104 8.878 1.00 13.22 H new ATOM 0 HH12 ARG A 16 -7.052 23.997 9.813 1.00 13.22 H new ATOM 0 HH21 ARG A 16 -5.886 22.839 12.932 1.00 61.21 H new ATOM 0 HH22 ARG A 16 -7.074 23.848 12.099 1.00 61.21 H new ATOM 258 N TRP A 17 -1.792 23.619 4.940 1.00 54.44 N ATOM 259 CA TRP A 17 -1.839 23.906 3.510 1.00 20.41 C ATOM 260 C TRP A 17 -0.819 23.062 2.753 1.00 54.14 C ATOM 261 O TRP A 17 -1.179 22.271 1.880 1.00 1.33 O ATOM 262 CB TRP A 17 -1.578 25.391 3.258 1.00 53.52 C ATOM 263 CG TRP A 17 -1.198 25.696 1.840 1.00 33.43 C ATOM 264 CD1 TRP A 17 -2.021 25.682 0.750 1.00 10.33 C ATOM 265 CD2 TRP A 17 0.101 26.056 1.360 1.00 25.00 C ATOM 266 NE1 TRP A 17 -1.311 26.013 -0.379 1.00 21.23 N ATOM 267 CE2 TRP A 17 -0.007 26.248 -0.031 1.00 61.54 C ATOM 268 CE3 TRP A 17 1.346 26.238 1.970 1.00 74.41 C ATOM 269 CZ2 TRP A 17 1.082 26.610 -0.820 1.00 21.04 C ATOM 270 CZ3 TRP A 17 2.425 26.597 1.186 1.00 5.02 C ATOM 271 CH2 TRP A 17 2.288 26.781 -0.196 1.00 62.12 C ATOM 0 H TRP A 17 -1.681 24.442 5.532 1.00 54.44 H new ATOM 0 HA TRP A 17 -2.835 23.653 3.146 1.00 20.41 H new ATOM 0 HB2 TRP A 17 -2.472 25.959 3.517 1.00 53.52 H new ATOM 0 HB3 TRP A 17 -0.782 25.730 3.921 1.00 53.52 H new ATOM 0 HD1 TRP A 17 -3.075 25.446 0.772 1.00 10.33 H new ATOM 0 HE1 TRP A 17 -1.693 26.074 -1.323 1.00 21.23 H new ATOM 0 HE3 TRP A 17 1.462 26.100 3.035 1.00 74.41 H new ATOM 0 HZ2 TRP A 17 0.979 26.751 -1.886 1.00 21.04 H new ATOM 0 HZ3 TRP A 17 3.392 26.738 1.647 1.00 5.02 H new ATOM 0 HH2 TRP A 17 3.151 27.063 -0.781 1.00 62.12 H new ATOM 282 N VAL A 18 0.454 23.235 3.091 1.00 3.42 N ATOM 283 CA VAL A 18 1.526 22.489 2.443 1.00 30.34 C ATOM 284 C VAL A 18 1.204 20.999 2.391 1.00 3.33 C ATOM 285 O VAL A 18 1.447 20.335 1.382 1.00 12.45 O ATOM 286 CB VAL A 18 2.868 22.688 3.172 1.00 65.43 C ATOM 287 CG1 VAL A 18 3.452 24.055 2.851 1.00 4.15 C ATOM 288 CG2 VAL A 18 2.691 22.513 4.672 1.00 30.44 C ATOM 0 H VAL A 18 0.769 23.886 3.811 1.00 3.42 H new ATOM 0 HA VAL A 18 1.612 22.875 1.427 1.00 30.34 H new ATOM 0 HB VAL A 18 3.568 21.929 2.822 1.00 65.43 H new ATOM 0 HG11 VAL A 18 4.400 24.178 3.375 1.00 4.15 H new ATOM 0 HG12 VAL A 18 3.618 24.137 1.777 1.00 4.15 H new ATOM 0 HG13 VAL A 18 2.757 24.832 3.171 1.00 4.15 H new ATOM 0 HG21 VAL A 18 3.649 22.657 5.171 1.00 30.44 H new ATOM 0 HG22 VAL A 18 1.975 23.247 5.042 1.00 30.44 H new ATOM 0 HG23 VAL A 18 2.321 21.509 4.880 1.00 30.44 H new ATOM 298 N LEU A 19 0.657 20.480 3.484 1.00 34.42 N ATOM 299 CA LEU A 19 0.300 19.067 3.564 1.00 42.21 C ATOM 300 C LEU A 19 -0.740 18.708 2.508 1.00 62.44 C ATOM 301 O LEU A 19 -0.514 17.830 1.675 1.00 52.21 O ATOM 302 CB LEU A 19 -0.235 18.734 4.957 1.00 32.15 C ATOM 303 CG LEU A 19 0.783 18.176 5.952 1.00 24.11 C ATOM 304 CD1 LEU A 19 0.135 17.949 7.309 1.00 5.32 C ATOM 305 CD2 LEU A 19 1.390 16.883 5.426 1.00 52.21 C ATOM 0 H LEU A 19 0.451 21.015 4.327 1.00 34.42 H new ATOM 0 HA LEU A 19 1.199 18.479 3.377 1.00 42.21 H new ATOM 0 HB2 LEU A 19 -0.671 19.638 5.382 1.00 32.15 H new ATOM 0 HB3 LEU A 19 -1.043 18.010 4.850 1.00 32.15 H new ATOM 0 HG LEU A 19 1.583 18.907 6.072 1.00 24.11 H new ATOM 0 HD11 LEU A 19 0.875 17.552 8.004 1.00 5.32 H new ATOM 0 HD12 LEU A 19 -0.250 18.894 7.691 1.00 5.32 H new ATOM 0 HD13 LEU A 19 -0.685 17.238 7.206 1.00 5.32 H new ATOM 0 HD21 LEU A 19 2.112 16.500 6.147 1.00 52.21 H new ATOM 0 HD22 LEU A 19 0.601 16.146 5.276 1.00 52.21 H new ATOM 0 HD23 LEU A 19 1.892 17.076 4.478 1.00 52.21 H new ATOM 317 N GLU A 20 -1.878 19.393 2.548 1.00 51.13 N ATOM 318 CA GLU A 20 -2.952 19.146 1.593 1.00 42.04 C ATOM 319 C GLU A 20 -2.430 19.204 0.160 1.00 43.21 C ATOM 320 O GLU A 20 -2.770 18.361 -0.671 1.00 5.25 O ATOM 321 CB GLU A 20 -4.076 20.168 1.779 1.00 24.43 C ATOM 322 CG GLU A 20 -5.315 19.867 0.954 1.00 71.44 C ATOM 323 CD GLU A 20 -6.049 21.122 0.524 1.00 12.14 C ATOM 324 OE1 GLU A 20 -6.518 21.866 1.411 1.00 54.53 O ATOM 325 OE2 GLU A 20 -6.155 21.360 -0.697 1.00 3.22 O ATOM 0 H GLU A 20 -2.080 20.123 3.231 1.00 51.13 H new ATOM 0 HA GLU A 20 -3.345 18.146 1.779 1.00 42.04 H new ATOM 0 HB2 GLU A 20 -4.352 20.204 2.833 1.00 24.43 H new ATOM 0 HB3 GLU A 20 -3.704 21.157 1.512 1.00 24.43 H new ATOM 0 HG2 GLU A 20 -5.029 19.297 0.070 1.00 71.44 H new ATOM 0 HG3 GLU A 20 -5.989 19.237 1.534 1.00 71.44 H new ATOM 332 N ARG A 21 -1.602 20.205 -0.122 1.00 13.31 N ATOM 333 CA ARG A 21 -1.034 20.375 -1.454 1.00 14.31 C ATOM 334 C ARG A 21 -0.262 19.130 -1.878 1.00 63.14 C ATOM 335 O ARG A 21 -0.121 18.850 -3.069 1.00 1.45 O ATOM 336 CB ARG A 21 -0.113 21.596 -1.487 1.00 10.03 C ATOM 337 CG ARG A 21 -0.849 22.918 -1.343 1.00 4.33 C ATOM 338 CD ARG A 21 -0.968 23.637 -2.677 1.00 54.43 C ATOM 339 NE ARG A 21 -2.347 24.017 -2.973 1.00 33.03 N ATOM 340 CZ ARG A 21 -2.693 24.793 -3.994 1.00 13.35 C ATOM 341 NH1 ARG A 21 -1.766 25.269 -4.813 1.00 2.54 N ATOM 342 NH2 ARG A 21 -3.970 25.094 -4.197 1.00 45.21 N ATOM 0 H ARG A 21 -1.310 20.910 0.554 1.00 13.31 H new ATOM 0 HA ARG A 21 -1.854 20.529 -2.155 1.00 14.31 H new ATOM 0 HB2 ARG A 21 0.620 21.509 -0.685 1.00 10.03 H new ATOM 0 HB3 ARG A 21 0.440 21.598 -2.426 1.00 10.03 H new ATOM 0 HG2 ARG A 21 -1.844 22.739 -0.935 1.00 4.33 H new ATOM 0 HG3 ARG A 21 -0.322 23.554 -0.632 1.00 4.33 H new ATOM 0 HD2 ARG A 21 -0.341 24.528 -2.666 1.00 54.43 H new ATOM 0 HD3 ARG A 21 -0.591 22.992 -3.471 1.00 54.43 H new ATOM 0 HE ARG A 21 -3.085 23.667 -2.362 1.00 33.03 H new ATOM 0 HH11 ARG A 21 -0.784 25.040 -4.660 1.00 2.54 H new ATOM 0 HH12 ARG A 21 -2.035 25.865 -5.596 1.00 2.54 H new ATOM 0 HH21 ARG A 21 -4.686 24.729 -3.569 1.00 45.21 H new ATOM 0 HH22 ARG A 21 -4.235 25.690 -4.981 1.00 45.21 H new ATOM 356 N ALA A 22 0.237 18.386 -0.897 1.00 3.15 N ATOM 357 CA ALA A 22 0.994 17.170 -1.168 1.00 42.41 C ATOM 358 C ALA A 22 0.071 15.961 -1.275 1.00 0.30 C ATOM 359 O ALA A 22 0.039 15.280 -2.301 1.00 3.22 O ATOM 360 CB ALA A 22 2.038 16.946 -0.084 1.00 62.54 C ATOM 0 H ALA A 22 0.131 18.604 0.094 1.00 3.15 H new ATOM 0 HA ALA A 22 1.501 17.292 -2.125 1.00 42.41 H new ATOM 0 HB1 ALA A 22 2.596 16.035 -0.299 1.00 62.54 H new ATOM 0 HB2 ALA A 22 2.723 17.793 -0.058 1.00 62.54 H new ATOM 0 HB3 ALA A 22 1.544 16.849 0.883 1.00 62.54 H new ATOM 366 N LEU A 23 -0.678 15.699 -0.210 1.00 14.31 N ATOM 367 CA LEU A 23 -1.603 14.571 -0.184 1.00 23.13 C ATOM 368 C LEU A 23 -2.613 14.668 -1.323 1.00 25.43 C ATOM 369 O LEU A 23 -2.722 13.761 -2.147 1.00 65.34 O ATOM 370 CB LEU A 23 -2.334 14.517 1.159 1.00 74.34 C ATOM 371 CG LEU A 23 -1.473 14.740 2.402 1.00 0.11 C ATOM 372 CD1 LEU A 23 -2.307 14.585 3.664 1.00 13.41 C ATOM 373 CD2 LEU A 23 -0.297 13.775 2.416 1.00 23.24 C ATOM 0 H LEU A 23 -0.663 16.252 0.647 1.00 14.31 H new ATOM 0 HA LEU A 23 -1.025 13.656 -0.313 1.00 23.13 H new ATOM 0 HB2 LEU A 23 -3.124 15.267 1.150 1.00 74.34 H new ATOM 0 HB3 LEU A 23 -2.819 13.545 1.247 1.00 74.34 H new ATOM 0 HG LEU A 23 -1.082 15.757 2.372 1.00 0.11 H new ATOM 0 HD11 LEU A 23 -1.677 14.747 4.539 1.00 13.41 H new ATOM 0 HD12 LEU A 23 -3.115 15.316 3.658 1.00 13.41 H new ATOM 0 HD13 LEU A 23 -2.727 13.580 3.701 1.00 13.41 H new ATOM 0 HD21 LEU A 23 0.305 13.948 3.308 1.00 23.24 H new ATOM 0 HD22 LEU A 23 -0.668 12.750 2.422 1.00 23.24 H new ATOM 0 HD23 LEU A 23 0.315 13.935 1.528 1.00 23.24 H new ATOM 385 N ALA A 24 -3.347 15.774 -1.363 1.00 14.23 N ATOM 386 CA ALA A 24 -4.345 15.991 -2.403 1.00 11.40 C ATOM 387 C ALA A 24 -3.732 15.844 -3.791 1.00 43.53 C ATOM 388 O ALA A 24 -4.429 15.549 -4.761 1.00 11.42 O ATOM 389 CB ALA A 24 -4.980 17.365 -2.247 1.00 3.41 C ATOM 0 H ALA A 24 -3.270 16.534 -0.687 1.00 14.23 H new ATOM 0 HA ALA A 24 -5.119 15.231 -2.294 1.00 11.40 H new ATOM 0 HB1 ALA A 24 -5.723 17.513 -3.030 1.00 3.41 H new ATOM 0 HB2 ALA A 24 -5.462 17.435 -1.272 1.00 3.41 H new ATOM 0 HB3 ALA A 24 -4.210 18.133 -2.327 1.00 3.41 H new ATOM 395 N GLY A 25 -2.421 16.053 -3.880 1.00 14.24 N ATOM 396 CA GLY A 25 -1.737 15.940 -5.154 1.00 45.20 C ATOM 397 C GLY A 25 -1.320 14.516 -5.464 1.00 51.11 C ATOM 398 O GLY A 25 -1.452 14.057 -6.598 1.00 61.31 O ATOM 0 H GLY A 25 -1.822 16.298 -3.092 1.00 14.24 H new ATOM 0 HA2 GLY A 25 -2.390 16.305 -5.947 1.00 45.20 H new ATOM 0 HA3 GLY A 25 -0.855 16.580 -5.147 1.00 45.20 H new ATOM 402 N ALA A 26 -0.814 13.816 -4.454 1.00 73.11 N ATOM 403 CA ALA A 26 -0.377 12.436 -4.624 1.00 74.25 C ATOM 404 C ALA A 26 -1.547 11.468 -4.479 1.00 23.22 C ATOM 405 O ALA A 26 -1.373 10.252 -4.557 1.00 44.52 O ATOM 406 CB ALA A 26 0.716 12.101 -3.621 1.00 31.42 C ATOM 0 H ALA A 26 -0.697 14.182 -3.509 1.00 73.11 H new ATOM 0 HA ALA A 26 0.026 12.330 -5.631 1.00 74.25 H new ATOM 0 HB1 ALA A 26 1.033 11.067 -3.760 1.00 31.42 H new ATOM 0 HB2 ALA A 26 1.567 12.765 -3.775 1.00 31.42 H new ATOM 0 HB3 ALA A 26 0.333 12.230 -2.609 1.00 31.42 H new ATOM 412 N GLY A 27 -2.739 12.015 -4.266 1.00 15.45 N ATOM 413 CA GLY A 27 -3.920 11.185 -4.111 1.00 41.44 C ATOM 414 C GLY A 27 -4.128 10.733 -2.680 1.00 4.03 C ATOM 415 O GLY A 27 -5.133 10.097 -2.361 1.00 72.23 O ATOM 0 H GLY A 27 -2.909 13.018 -4.198 1.00 15.45 H new ATOM 0 HA2 GLY A 27 -4.797 11.740 -4.444 1.00 41.44 H new ATOM 0 HA3 GLY A 27 -3.833 10.310 -4.756 1.00 41.44 H new ATOM 419 N LEU A 28 -3.175 11.060 -1.814 1.00 23.43 N ATOM 420 CA LEU A 28 -3.257 10.681 -0.407 1.00 43.21 C ATOM 421 C LEU A 28 -4.371 11.447 0.299 1.00 71.03 C ATOM 422 O LEU A 28 -4.556 12.644 0.074 1.00 32.34 O ATOM 423 CB LEU A 28 -1.921 10.944 0.291 1.00 61.44 C ATOM 424 CG LEU A 28 -0.671 10.479 -0.457 1.00 5.01 C ATOM 425 CD1 LEU A 28 0.575 11.120 0.136 1.00 72.30 C ATOM 426 CD2 LEU A 28 -0.561 8.962 -0.421 1.00 24.31 C ATOM 0 H LEU A 28 -2.337 11.586 -2.061 1.00 23.43 H new ATOM 0 HA LEU A 28 -3.484 9.616 -0.356 1.00 43.21 H new ATOM 0 HB2 LEU A 28 -1.834 12.015 0.473 1.00 61.44 H new ATOM 0 HB3 LEU A 28 -1.940 10.455 1.265 1.00 61.44 H new ATOM 0 HG LEU A 28 -0.756 10.792 -1.498 1.00 5.01 H new ATOM 0 HD11 LEU A 28 1.455 10.778 -0.409 1.00 72.30 H new ATOM 0 HD12 LEU A 28 0.499 12.204 0.057 1.00 72.30 H new ATOM 0 HD13 LEU A 28 0.665 10.838 1.185 1.00 72.30 H new ATOM 0 HD21 LEU A 28 0.334 8.649 -0.958 1.00 24.31 H new ATOM 0 HD22 LEU A 28 -0.499 8.626 0.614 1.00 24.31 H new ATOM 0 HD23 LEU A 28 -1.440 8.522 -0.893 1.00 24.31 H new ATOM 438 N THR A 29 -5.111 10.750 1.155 1.00 30.52 N ATOM 439 CA THR A 29 -6.206 11.363 1.895 1.00 14.21 C ATOM 440 C THR A 29 -5.688 12.399 2.886 1.00 31.24 C ATOM 441 O THR A 29 -4.858 12.091 3.742 1.00 5.42 O ATOM 442 CB THR A 29 -7.031 10.308 2.656 1.00 1.14 C ATOM 443 OG1 THR A 29 -7.494 9.301 1.750 1.00 53.00 O ATOM 444 CG2 THR A 29 -8.218 10.951 3.358 1.00 43.34 C ATOM 0 H THR A 29 -4.971 9.759 1.353 1.00 30.52 H new ATOM 0 HA THR A 29 -6.846 11.854 1.162 1.00 14.21 H new ATOM 0 HB THR A 29 -6.389 9.851 3.409 1.00 1.14 H new ATOM 0 HG1 THR A 29 -8.016 8.633 2.242 1.00 53.00 H new ATOM 0 HG21 THR A 29 -8.785 10.186 3.888 1.00 43.34 H new ATOM 0 HG22 THR A 29 -7.860 11.696 4.069 1.00 43.34 H new ATOM 0 HG23 THR A 29 -8.860 11.432 2.620 1.00 43.34 H new ATOM 452 N CYS A 30 -6.183 13.625 2.766 1.00 12.52 N ATOM 453 CA CYS A 30 -5.769 14.707 3.653 1.00 54.32 C ATOM 454 C CYS A 30 -6.821 14.962 4.728 1.00 70.42 C ATOM 455 O CYS A 30 -7.977 15.257 4.424 1.00 53.21 O ATOM 456 CB CYS A 30 -5.523 15.986 2.851 1.00 70.14 C ATOM 457 SG CYS A 30 -5.059 17.413 3.860 1.00 75.31 S ATOM 0 H CYS A 30 -6.871 13.895 2.064 1.00 12.52 H new ATOM 0 HA CYS A 30 -4.841 14.408 4.141 1.00 54.32 H new ATOM 0 HB2 CYS A 30 -4.735 15.799 2.122 1.00 70.14 H new ATOM 0 HB3 CYS A 30 -6.425 16.229 2.290 1.00 70.14 H new ATOM 0 HG CYS A 30 -5.921 17.564 4.821 1.00 75.31 H new ATOM 463 N THR A 31 -6.413 14.843 5.988 1.00 42.35 N ATOM 464 CA THR A 31 -7.320 15.057 7.108 1.00 3.31 C ATOM 465 C THR A 31 -6.605 15.734 8.272 1.00 31.13 C ATOM 466 O THR A 31 -5.425 15.483 8.521 1.00 35.35 O ATOM 467 CB THR A 31 -7.931 13.731 7.597 1.00 32.22 C ATOM 468 OG1 THR A 31 -8.692 13.125 6.546 1.00 64.11 O ATOM 469 CG2 THR A 31 -8.823 13.960 8.808 1.00 53.01 C ATOM 0 H THR A 31 -5.460 14.599 6.258 1.00 42.35 H new ATOM 0 HA THR A 31 -8.119 15.706 6.749 1.00 3.31 H new ATOM 0 HB THR A 31 -7.117 13.066 7.886 1.00 32.22 H new ATOM 0 HG1 THR A 31 -9.076 12.281 6.865 1.00 64.11 H new ATOM 0 HG21 THR A 31 -9.243 13.009 9.135 1.00 53.01 H new ATOM 0 HG22 THR A 31 -8.235 14.394 9.616 1.00 53.01 H new ATOM 0 HG23 THR A 31 -9.631 14.641 8.541 1.00 53.01 H new ATOM 477 N THR A 32 -7.327 16.594 8.984 1.00 3.04 N ATOM 478 CA THR A 32 -6.761 17.308 10.122 1.00 34.55 C ATOM 479 C THR A 32 -7.837 17.646 11.149 1.00 63.24 C ATOM 480 O THR A 32 -9.013 17.338 10.954 1.00 0.25 O ATOM 481 CB THR A 32 -6.063 18.607 9.680 1.00 1.21 C ATOM 482 OG1 THR A 32 -6.982 19.437 8.962 1.00 52.35 O ATOM 483 CG2 THR A 32 -4.856 18.302 8.805 1.00 14.42 C ATOM 0 H THR A 32 -8.305 16.813 8.793 1.00 3.04 H new ATOM 0 HA THR A 32 -6.024 16.645 10.576 1.00 34.55 H new ATOM 0 HB THR A 32 -5.721 19.132 10.572 1.00 1.21 H new ATOM 0 HG1 THR A 32 -6.484 20.086 8.422 1.00 52.35 H new ATOM 0 HG21 THR A 32 -4.379 19.235 8.505 1.00 14.42 H new ATOM 0 HG22 THR A 32 -4.145 17.695 9.365 1.00 14.42 H new ATOM 0 HG23 THR A 32 -5.178 17.757 7.917 1.00 14.42 H new ATOM 491 N PHE A 33 -7.426 18.281 12.241 1.00 14.32 N ATOM 492 CA PHE A 33 -8.356 18.661 13.299 1.00 45.51 C ATOM 493 C PHE A 33 -7.862 19.903 14.036 1.00 22.33 C ATOM 494 O PHE A 33 -8.324 21.014 13.780 1.00 31.10 O ATOM 495 CB PHE A 33 -8.538 17.507 14.286 1.00 21.30 C ATOM 496 CG PHE A 33 -9.038 16.244 13.645 1.00 34.24 C ATOM 497 CD1 PHE A 33 -10.384 16.083 13.358 1.00 14.25 C ATOM 498 CD2 PHE A 33 -8.163 15.217 13.331 1.00 41.04 C ATOM 499 CE1 PHE A 33 -10.848 14.922 12.769 1.00 53.44 C ATOM 500 CE2 PHE A 33 -8.621 14.054 12.740 1.00 1.33 C ATOM 501 CZ PHE A 33 -9.965 13.906 12.460 1.00 13.21 C ATOM 0 H PHE A 33 -6.456 18.543 12.417 1.00 14.32 H new ATOM 0 HA PHE A 33 -9.317 18.891 12.839 1.00 45.51 H new ATOM 0 HB2 PHE A 33 -7.585 17.304 14.775 1.00 21.30 H new ATOM 0 HB3 PHE A 33 -9.238 17.812 15.064 1.00 21.30 H new ATOM 0 HD1 PHE A 33 -11.079 16.874 13.597 1.00 14.25 H new ATOM 0 HD2 PHE A 33 -7.111 15.326 13.550 1.00 41.04 H new ATOM 0 HE1 PHE A 33 -11.900 14.809 12.551 1.00 53.44 H new ATOM 0 HE2 PHE A 33 -7.928 13.262 12.498 1.00 1.33 H new ATOM 0 HZ PHE A 33 -10.325 12.997 12.000 1.00 13.21 H new ATOM 511 N GLU A 34 -6.920 19.704 14.953 1.00 33.45 N ATOM 512 CA GLU A 34 -6.365 20.806 15.729 1.00 0.42 C ATOM 513 C GLU A 34 -5.453 20.287 16.837 1.00 14.24 C ATOM 514 O GLU A 34 -4.265 20.603 16.877 1.00 71.22 O ATOM 515 CB GLU A 34 -7.489 21.652 16.332 1.00 22.32 C ATOM 516 CG GLU A 34 -7.520 23.081 15.816 1.00 23.51 C ATOM 517 CD GLU A 34 -8.862 23.457 15.221 1.00 75.24 C ATOM 518 OE1 GLU A 34 -9.874 23.391 15.951 1.00 42.25 O ATOM 519 OE2 GLU A 34 -8.902 23.816 14.026 1.00 53.45 O ATOM 0 H GLU A 34 -6.526 18.790 15.176 1.00 33.45 H new ATOM 0 HA GLU A 34 -5.773 21.427 15.057 1.00 0.42 H new ATOM 0 HB2 GLU A 34 -8.446 21.176 16.117 1.00 22.32 H new ATOM 0 HB3 GLU A 34 -7.378 21.669 17.416 1.00 22.32 H new ATOM 0 HG2 GLU A 34 -7.285 23.763 16.633 1.00 23.51 H new ATOM 0 HG3 GLU A 34 -6.744 23.208 15.061 1.00 23.51 H new ATOM 526 N ASN A 35 -6.020 19.489 17.737 1.00 53.44 N ATOM 527 CA ASN A 35 -5.260 18.927 18.847 1.00 61.13 C ATOM 528 C ASN A 35 -5.518 17.429 18.980 1.00 55.23 C ATOM 529 O ASN A 35 -6.556 16.927 18.549 1.00 3.11 O ATOM 530 CB ASN A 35 -5.623 19.637 20.153 1.00 74.44 C ATOM 531 CG ASN A 35 -7.002 19.252 20.655 1.00 4.12 C ATOM 532 OD1 ASN A 35 -7.831 18.746 19.899 1.00 14.44 O ATOM 533 ND2 ASN A 35 -7.252 19.491 21.937 1.00 4.43 N ATOM 0 H ASN A 35 -7.003 19.217 17.719 1.00 53.44 H new ATOM 0 HA ASN A 35 -4.200 19.078 18.642 1.00 61.13 H new ATOM 0 HB2 ASN A 35 -4.881 19.394 20.914 1.00 74.44 H new ATOM 0 HB3 ASN A 35 -5.582 20.716 20.001 1.00 74.44 H new ATOM 0 HD21 ASN A 35 -8.162 19.253 22.332 1.00 4.43 H new ATOM 0 HD22 ASN A 35 -6.534 19.912 22.527 1.00 4.43 H new ATOM 540 N GLY A 36 -4.567 16.721 19.580 1.00 22.31 N ATOM 541 CA GLY A 36 -4.711 15.288 19.760 1.00 65.12 C ATOM 542 C GLY A 36 -6.082 14.903 20.279 1.00 42.31 C ATOM 543 O GLY A 36 -6.614 13.852 19.925 1.00 10.05 O ATOM 0 H GLY A 36 -3.699 17.114 19.945 1.00 22.31 H new ATOM 0 HA2 GLY A 36 -4.532 14.786 18.809 1.00 65.12 H new ATOM 0 HA3 GLY A 36 -3.950 14.934 20.456 1.00 65.12 H new ATOM 547 N ASN A 37 -6.655 15.757 21.122 1.00 65.43 N ATOM 548 CA ASN A 37 -7.972 15.499 21.692 1.00 3.25 C ATOM 549 C ASN A 37 -8.998 15.236 20.595 1.00 72.11 C ATOM 550 O ASN A 37 -9.787 14.296 20.683 1.00 71.33 O ATOM 551 CB ASN A 37 -8.419 16.684 22.551 1.00 41.21 C ATOM 552 CG ASN A 37 -9.206 16.249 23.772 1.00 50.11 C ATOM 553 OD1 ASN A 37 -8.927 15.207 24.365 1.00 74.22 O ATOM 554 ND2 ASN A 37 -10.196 17.048 24.153 1.00 2.22 N ATOM 0 H ASN A 37 -6.228 16.632 21.425 1.00 65.43 H new ATOM 0 HA ASN A 37 -7.902 14.610 22.319 1.00 3.25 H new ATOM 0 HB2 ASN A 37 -7.543 17.249 22.869 1.00 41.21 H new ATOM 0 HB3 ASN A 37 -9.030 17.356 21.948 1.00 41.21 H new ATOM 0 HD21 ASN A 37 -10.761 16.807 24.968 1.00 2.22 H new ATOM 0 HD22 ASN A 37 -10.392 17.902 23.631 1.00 2.22 H new ATOM 561 N GLU A 38 -8.980 16.073 19.562 1.00 32.22 N ATOM 562 CA GLU A 38 -9.910 15.930 18.448 1.00 62.12 C ATOM 563 C GLU A 38 -9.662 14.625 17.696 1.00 1.14 C ATOM 564 O GLU A 38 -10.590 13.858 17.438 1.00 2.34 O ATOM 565 CB GLU A 38 -9.778 17.116 17.490 1.00 74.21 C ATOM 566 CG GLU A 38 -10.487 18.370 17.973 1.00 73.11 C ATOM 567 CD GLU A 38 -11.948 18.407 17.567 1.00 1.33 C ATOM 568 OE1 GLU A 38 -12.520 17.328 17.309 1.00 14.20 O ATOM 569 OE2 GLU A 38 -12.518 19.517 17.508 1.00 34.15 O ATOM 0 H GLU A 38 -8.332 16.856 19.474 1.00 32.22 H new ATOM 0 HA GLU A 38 -10.922 15.909 18.853 1.00 62.12 H new ATOM 0 HB2 GLU A 38 -8.721 17.339 17.345 1.00 74.21 H new ATOM 0 HB3 GLU A 38 -10.180 16.833 16.517 1.00 74.21 H new ATOM 0 HG2 GLU A 38 -10.414 18.429 19.059 1.00 73.11 H new ATOM 0 HG3 GLU A 38 -9.980 19.247 17.571 1.00 73.11 H new ATOM 576 N VAL A 39 -8.403 14.380 17.347 1.00 1.03 N ATOM 577 CA VAL A 39 -8.031 13.169 16.626 1.00 35.40 C ATOM 578 C VAL A 39 -8.601 11.928 17.306 1.00 44.25 C ATOM 579 O VAL A 39 -8.898 10.929 16.650 1.00 73.13 O ATOM 580 CB VAL A 39 -6.502 13.026 16.519 1.00 24.32 C ATOM 581 CG1 VAL A 39 -6.122 11.596 16.165 1.00 31.14 C ATOM 582 CG2 VAL A 39 -5.946 14.003 15.494 1.00 30.21 C ATOM 0 H VAL A 39 -7.623 15.005 17.552 1.00 1.03 H new ATOM 0 HA VAL A 39 -8.450 13.256 15.624 1.00 35.40 H new ATOM 0 HB VAL A 39 -6.064 13.263 17.489 1.00 24.32 H new ATOM 0 HG11 VAL A 39 -5.037 11.515 16.094 1.00 31.14 H new ATOM 0 HG12 VAL A 39 -6.486 10.920 16.939 1.00 31.14 H new ATOM 0 HG13 VAL A 39 -6.570 11.327 15.208 1.00 31.14 H new ATOM 0 HG21 VAL A 39 -4.864 13.888 15.431 1.00 30.21 H new ATOM 0 HG22 VAL A 39 -6.389 13.799 14.519 1.00 30.21 H new ATOM 0 HG23 VAL A 39 -6.186 15.023 15.796 1.00 30.21 H new ATOM 592 N LEU A 40 -8.750 11.999 18.624 1.00 60.44 N ATOM 593 CA LEU A 40 -9.285 10.881 19.394 1.00 64.12 C ATOM 594 C LEU A 40 -10.635 10.435 18.841 1.00 3.23 C ATOM 595 O LEU A 40 -10.853 9.251 18.589 1.00 63.31 O ATOM 596 CB LEU A 40 -9.427 11.272 20.866 1.00 51.13 C ATOM 597 CG LEU A 40 -8.160 11.786 21.549 1.00 4.24 C ATOM 598 CD1 LEU A 40 -8.246 11.586 23.054 1.00 12.14 C ATOM 599 CD2 LEU A 40 -6.930 11.089 20.987 1.00 62.34 C ATOM 0 H LEU A 40 -8.508 12.818 19.182 1.00 60.44 H new ATOM 0 HA LEU A 40 -8.587 10.048 19.312 1.00 64.12 H new ATOM 0 HB2 LEU A 40 -10.195 12.041 20.944 1.00 51.13 H new ATOM 0 HB3 LEU A 40 -9.787 10.404 21.419 1.00 51.13 H new ATOM 0 HG LEU A 40 -8.071 12.854 21.349 1.00 4.24 H new ATOM 0 HD11 LEU A 40 -7.335 11.958 23.523 1.00 12.14 H new ATOM 0 HD12 LEU A 40 -9.105 12.132 23.445 1.00 12.14 H new ATOM 0 HD13 LEU A 40 -8.360 10.525 23.274 1.00 12.14 H new ATOM 0 HD21 LEU A 40 -6.038 11.468 21.485 1.00 62.34 H new ATOM 0 HD22 LEU A 40 -7.011 10.015 21.156 1.00 62.34 H new ATOM 0 HD23 LEU A 40 -6.858 11.284 19.917 1.00 62.34 H new ATOM 611 N ALA A 41 -11.537 11.393 18.654 1.00 61.11 N ATOM 612 CA ALA A 41 -12.864 11.100 18.127 1.00 20.31 C ATOM 613 C ALA A 41 -12.779 10.227 16.879 1.00 1.33 C ATOM 614 O ALA A 41 -13.594 9.327 16.684 1.00 72.45 O ATOM 615 CB ALA A 41 -13.607 12.391 17.821 1.00 54.43 C ATOM 0 H ALA A 41 -11.373 12.378 18.860 1.00 61.11 H new ATOM 0 HA ALA A 41 -13.416 10.548 18.887 1.00 20.31 H new ATOM 0 HB1 ALA A 41 -14.596 12.157 17.428 1.00 54.43 H new ATOM 0 HB2 ALA A 41 -13.709 12.978 18.734 1.00 54.43 H new ATOM 0 HB3 ALA A 41 -13.049 12.965 17.081 1.00 54.43 H new ATOM 621 N ALA A 42 -11.787 10.501 16.038 1.00 53.20 N ATOM 622 CA ALA A 42 -11.595 9.740 14.810 1.00 54.13 C ATOM 623 C ALA A 42 -10.799 8.467 15.072 1.00 65.32 C ATOM 624 O ALA A 42 -10.995 7.451 14.404 1.00 64.35 O ATOM 625 CB ALA A 42 -10.898 10.595 13.762 1.00 1.54 C ATOM 0 H ALA A 42 -11.104 11.244 16.185 1.00 53.20 H new ATOM 0 HA ALA A 42 -12.576 9.452 14.433 1.00 54.13 H new ATOM 0 HB1 ALA A 42 -10.761 10.013 12.850 1.00 1.54 H new ATOM 0 HB2 ALA A 42 -11.507 11.473 13.545 1.00 1.54 H new ATOM 0 HB3 ALA A 42 -9.926 10.912 14.139 1.00 1.54 H new ATOM 631 N LEU A 43 -9.899 8.528 16.047 1.00 22.32 N ATOM 632 CA LEU A 43 -9.071 7.379 16.397 1.00 21.24 C ATOM 633 C LEU A 43 -9.934 6.163 16.719 1.00 53.22 C ATOM 634 O LEU A 43 -9.784 5.104 16.110 1.00 53.42 O ATOM 635 CB LEU A 43 -8.177 7.714 17.593 1.00 55.52 C ATOM 636 CG LEU A 43 -6.855 8.410 17.268 1.00 12.40 C ATOM 637 CD1 LEU A 43 -6.198 8.927 18.538 1.00 0.33 C ATOM 638 CD2 LEU A 43 -5.921 7.463 16.530 1.00 71.23 C ATOM 0 H LEU A 43 -9.724 9.361 16.609 1.00 22.32 H new ATOM 0 HA LEU A 43 -8.444 7.140 15.538 1.00 21.24 H new ATOM 0 HB2 LEU A 43 -8.741 8.349 18.276 1.00 55.52 H new ATOM 0 HB3 LEU A 43 -7.956 6.789 18.127 1.00 55.52 H new ATOM 0 HG LEU A 43 -7.064 9.261 16.619 1.00 12.40 H new ATOM 0 HD11 LEU A 43 -5.258 9.419 18.287 1.00 0.33 H new ATOM 0 HD12 LEU A 43 -6.862 9.640 19.027 1.00 0.33 H new ATOM 0 HD13 LEU A 43 -6.002 8.093 19.212 1.00 0.33 H new ATOM 0 HD21 LEU A 43 -4.985 7.975 16.307 1.00 71.23 H new ATOM 0 HD22 LEU A 43 -5.718 6.592 17.154 1.00 71.23 H new ATOM 0 HD23 LEU A 43 -6.389 7.142 15.600 1.00 71.23 H new ATOM 650 N ALA A 44 -10.840 6.324 17.678 1.00 1.02 N ATOM 651 CA ALA A 44 -11.730 5.241 18.077 1.00 14.34 C ATOM 652 C ALA A 44 -12.494 4.688 16.879 1.00 51.41 C ATOM 653 O ALA A 44 -12.689 3.479 16.759 1.00 23.10 O ATOM 654 CB ALA A 44 -12.700 5.722 19.147 1.00 4.40 C ATOM 0 H ALA A 44 -10.977 7.194 18.193 1.00 1.02 H new ATOM 0 HA ALA A 44 -11.121 4.437 18.489 1.00 14.34 H new ATOM 0 HB1 ALA A 44 -13.359 4.903 19.436 1.00 4.40 H new ATOM 0 HB2 ALA A 44 -12.141 6.062 20.019 1.00 4.40 H new ATOM 0 HB3 ALA A 44 -13.296 6.546 18.754 1.00 4.40 H new ATOM 660 N SER A 45 -12.925 5.582 15.994 1.00 32.03 N ATOM 661 CA SER A 45 -13.672 5.183 14.807 1.00 41.31 C ATOM 662 C SER A 45 -12.788 4.389 13.851 1.00 61.35 C ATOM 663 O SER A 45 -13.192 3.347 13.333 1.00 41.34 O ATOM 664 CB SER A 45 -14.235 6.415 14.095 1.00 4.10 C ATOM 665 OG SER A 45 -14.504 7.458 15.016 1.00 64.10 O ATOM 0 H SER A 45 -12.770 6.587 16.077 1.00 32.03 H new ATOM 0 HA SER A 45 -14.498 4.546 15.124 1.00 41.31 H new ATOM 0 HB2 SER A 45 -13.524 6.762 13.345 1.00 4.10 H new ATOM 0 HB3 SER A 45 -15.150 6.147 13.567 1.00 4.10 H new ATOM 0 HG SER A 45 -13.669 7.917 15.243 1.00 64.10 H new ATOM 671 N LYS A 46 -11.578 4.888 13.620 1.00 32.24 N ATOM 672 CA LYS A 46 -10.634 4.226 12.728 1.00 50.12 C ATOM 673 C LYS A 46 -9.226 4.780 12.918 1.00 4.01 C ATOM 674 O LYS A 46 -9.041 5.850 13.500 1.00 62.32 O ATOM 675 CB LYS A 46 -11.070 4.401 11.271 1.00 24.42 C ATOM 676 CG LYS A 46 -10.721 3.217 10.386 1.00 62.30 C ATOM 677 CD LYS A 46 -10.165 3.667 9.045 1.00 14.33 C ATOM 678 CE LYS A 46 -8.644 3.655 9.039 1.00 35.05 C ATOM 679 NZ LYS A 46 -8.102 2.282 8.843 1.00 43.33 N ATOM 0 H LYS A 46 -11.228 5.750 14.039 1.00 32.24 H new ATOM 0 HA LYS A 46 -10.624 3.164 12.973 1.00 50.12 H new ATOM 0 HB2 LYS A 46 -12.148 4.562 11.240 1.00 24.42 H new ATOM 0 HB3 LYS A 46 -10.602 5.298 10.865 1.00 24.42 H new ATOM 0 HG2 LYS A 46 -9.989 2.587 10.891 1.00 62.30 H new ATOM 0 HG3 LYS A 46 -11.610 2.607 10.226 1.00 62.30 H new ATOM 0 HD2 LYS A 46 -10.538 3.012 8.257 1.00 14.33 H new ATOM 0 HD3 LYS A 46 -10.523 4.672 8.820 1.00 14.33 H new ATOM 0 HE2 LYS A 46 -8.279 4.307 8.245 1.00 35.05 H new ATOM 0 HE3 LYS A 46 -8.274 4.061 9.980 1.00 35.05 H new ATOM 0 HZ1 LYS A 46 -7.217 2.178 9.380 1.00 43.33 H new ATOM 0 HZ2 LYS A 46 -8.795 1.584 9.180 1.00 43.33 H new ATOM 0 HZ3 LYS A 46 -7.915 2.124 7.832 1.00 43.33 H new ATOM 693 N THR A 47 -8.234 4.046 12.423 1.00 42.12 N ATOM 694 CA THR A 47 -6.842 4.464 12.538 1.00 14.11 C ATOM 695 C THR A 47 -6.126 4.367 11.196 1.00 71.30 C ATOM 696 O THR A 47 -6.140 3.330 10.532 1.00 42.25 O ATOM 697 CB THR A 47 -6.084 3.614 13.575 1.00 74.53 C ATOM 698 OG1 THR A 47 -5.975 2.262 13.114 1.00 14.10 O ATOM 699 CG2 THR A 47 -6.794 3.640 14.920 1.00 51.41 C ATOM 0 H THR A 47 -8.369 3.159 11.938 1.00 42.12 H new ATOM 0 HA THR A 47 -6.850 5.503 12.867 1.00 14.11 H new ATOM 0 HB THR A 47 -5.087 4.037 13.700 1.00 74.53 H new ATOM 0 HG1 THR A 47 -6.113 2.235 12.144 1.00 14.10 H new ATOM 0 HG21 THR A 47 -6.240 3.033 15.636 1.00 51.41 H new ATOM 0 HG22 THR A 47 -6.850 4.667 15.282 1.00 51.41 H new ATOM 0 HG23 THR A 47 -7.801 3.239 14.807 1.00 51.41 H new ATOM 707 N PRO A 48 -5.484 5.470 10.786 1.00 42.33 N ATOM 708 CA PRO A 48 -4.748 5.533 9.519 1.00 13.52 C ATOM 709 C PRO A 48 -3.481 4.686 9.542 1.00 70.21 C ATOM 710 O PRO A 48 -3.262 3.904 10.467 1.00 34.14 O ATOM 711 CB PRO A 48 -4.397 7.017 9.387 1.00 42.42 C ATOM 712 CG PRO A 48 -4.381 7.529 10.786 1.00 41.22 C ATOM 713 CD PRO A 48 -5.426 6.741 11.527 1.00 44.52 C ATOM 0 HA PRO A 48 -5.335 5.144 8.687 1.00 13.52 H new ATOM 0 HB2 PRO A 48 -3.429 7.153 8.905 1.00 42.42 H new ATOM 0 HB3 PRO A 48 -5.133 7.545 8.781 1.00 42.42 H new ATOM 0 HG2 PRO A 48 -3.398 7.397 11.239 1.00 41.22 H new ATOM 0 HG3 PRO A 48 -4.604 8.596 10.814 1.00 41.22 H new ATOM 0 HD2 PRO A 48 -5.148 6.586 12.570 1.00 44.52 H new ATOM 0 HD3 PRO A 48 -6.389 7.251 11.526 1.00 44.52 H new ATOM 721 N ASP A 49 -2.649 4.846 8.519 1.00 53.15 N ATOM 722 CA ASP A 49 -1.402 4.096 8.422 1.00 13.20 C ATOM 723 C ASP A 49 -0.262 4.847 9.103 1.00 15.31 C ATOM 724 O ASP A 49 0.825 4.303 9.297 1.00 12.51 O ATOM 725 CB ASP A 49 -1.053 3.833 6.956 1.00 4.35 C ATOM 726 CG ASP A 49 -1.038 2.355 6.621 1.00 23.10 C ATOM 727 OD1 ASP A 49 -0.358 1.590 7.338 1.00 55.20 O ATOM 728 OD2 ASP A 49 -1.706 1.962 5.642 1.00 10.41 O ATOM 0 H ASP A 49 -2.816 5.489 7.745 1.00 53.15 H new ATOM 0 HA ASP A 49 -1.540 3.142 8.931 1.00 13.20 H new ATOM 0 HB2 ASP A 49 -1.776 4.340 6.317 1.00 4.35 H new ATOM 0 HB3 ASP A 49 -0.076 4.263 6.735 1.00 4.35 H new ATOM 733 N VAL A 50 -0.518 6.101 9.463 1.00 14.01 N ATOM 734 CA VAL A 50 0.486 6.927 10.122 1.00 12.34 C ATOM 735 C VAL A 50 -0.093 8.279 10.524 1.00 45.50 C ATOM 736 O VAL A 50 -1.056 8.758 9.924 1.00 33.22 O ATOM 737 CB VAL A 50 1.710 7.154 9.215 1.00 31.34 C ATOM 738 CG1 VAL A 50 1.351 8.063 8.050 1.00 14.24 C ATOM 739 CG2 VAL A 50 2.867 7.732 10.017 1.00 74.33 C ATOM 0 H VAL A 50 -1.412 6.567 9.309 1.00 14.01 H new ATOM 0 HA VAL A 50 0.801 6.389 11.016 1.00 12.34 H new ATOM 0 HB VAL A 50 2.023 6.192 8.810 1.00 31.34 H new ATOM 0 HG11 VAL A 50 2.228 8.212 7.421 1.00 14.24 H new ATOM 0 HG12 VAL A 50 0.556 7.604 7.462 1.00 14.24 H new ATOM 0 HG13 VAL A 50 1.011 9.026 8.431 1.00 14.24 H new ATOM 0 HG21 VAL A 50 3.724 7.886 9.361 1.00 74.33 H new ATOM 0 HG22 VAL A 50 2.567 8.685 10.453 1.00 74.33 H new ATOM 0 HG23 VAL A 50 3.140 7.039 10.813 1.00 74.33 H new ATOM 749 N LEU A 51 0.502 8.892 11.542 1.00 51.12 N ATOM 750 CA LEU A 51 0.046 10.191 12.024 1.00 5.34 C ATOM 751 C LEU A 51 1.176 10.938 12.726 1.00 43.20 C ATOM 752 O LEU A 51 2.035 10.329 13.365 1.00 61.31 O ATOM 753 CB LEU A 51 -1.135 10.017 12.980 1.00 73.21 C ATOM 754 CG LEU A 51 -1.637 11.288 13.666 1.00 24.25 C ATOM 755 CD1 LEU A 51 -3.133 11.201 13.924 1.00 60.24 C ATOM 756 CD2 LEU A 51 -0.883 11.524 14.967 1.00 0.12 C ATOM 0 H LEU A 51 1.301 8.510 12.049 1.00 51.12 H new ATOM 0 HA LEU A 51 -0.275 10.778 11.163 1.00 5.34 H new ATOM 0 HB2 LEU A 51 -1.963 9.576 12.425 1.00 73.21 H new ATOM 0 HB3 LEU A 51 -0.850 9.301 13.751 1.00 73.21 H new ATOM 0 HG LEU A 51 -1.452 12.133 13.003 1.00 24.25 H new ATOM 0 HD11 LEU A 51 -3.472 12.115 14.413 1.00 60.24 H new ATOM 0 HD12 LEU A 51 -3.659 11.080 12.977 1.00 60.24 H new ATOM 0 HD13 LEU A 51 -3.342 10.346 14.567 1.00 60.24 H new ATOM 0 HD21 LEU A 51 -1.253 12.433 15.442 1.00 0.12 H new ATOM 0 HD22 LEU A 51 -1.036 10.677 15.635 1.00 0.12 H new ATOM 0 HD23 LEU A 51 0.181 11.632 14.756 1.00 0.12 H new ATOM 768 N LEU A 52 1.169 12.261 12.605 1.00 72.05 N ATOM 769 CA LEU A 52 2.192 13.092 13.229 1.00 11.50 C ATOM 770 C LEU A 52 1.624 13.847 14.427 1.00 20.20 C ATOM 771 O LEU A 52 0.790 14.739 14.273 1.00 60.01 O ATOM 772 CB LEU A 52 2.763 14.083 12.212 1.00 31.44 C ATOM 773 CG LEU A 52 3.174 13.496 10.862 1.00 62.43 C ATOM 774 CD1 LEU A 52 1.990 13.469 9.908 1.00 34.45 C ATOM 775 CD2 LEU A 52 4.325 14.291 10.263 1.00 62.32 C ATOM 0 H LEU A 52 0.466 12.781 12.080 1.00 72.05 H new ATOM 0 HA LEU A 52 2.991 12.439 13.579 1.00 11.50 H new ATOM 0 HB2 LEU A 52 2.020 14.861 12.036 1.00 31.44 H new ATOM 0 HB3 LEU A 52 3.633 14.567 12.655 1.00 31.44 H new ATOM 0 HG LEU A 52 3.510 12.471 11.021 1.00 62.43 H new ATOM 0 HD11 LEU A 52 2.302 13.048 8.952 1.00 34.45 H new ATOM 0 HD12 LEU A 52 1.195 12.856 10.332 1.00 34.45 H new ATOM 0 HD13 LEU A 52 1.623 14.484 9.755 1.00 34.45 H new ATOM 0 HD21 LEU A 52 4.604 13.859 9.302 1.00 62.32 H new ATOM 0 HD22 LEU A 52 4.016 15.326 10.119 1.00 62.32 H new ATOM 0 HD23 LEU A 52 5.180 14.258 10.938 1.00 62.32 H new ATOM 787 N SER A 53 2.083 13.484 15.620 1.00 23.33 N ATOM 788 CA SER A 53 1.620 14.125 16.845 1.00 11.02 C ATOM 789 C SER A 53 2.396 15.411 17.112 1.00 11.20 C ATOM 790 O SER A 53 3.471 15.628 16.553 1.00 24.42 O ATOM 791 CB SER A 53 1.767 13.171 18.032 1.00 4.55 C ATOM 792 OG SER A 53 2.867 12.296 17.850 1.00 74.00 O ATOM 0 H SER A 53 2.775 12.749 15.764 1.00 23.33 H new ATOM 0 HA SER A 53 0.567 14.376 16.719 1.00 11.02 H new ATOM 0 HB2 SER A 53 1.902 13.745 18.949 1.00 4.55 H new ATOM 0 HB3 SER A 53 0.852 12.590 18.151 1.00 4.55 H new ATOM 0 HG SER A 53 2.940 11.698 18.623 1.00 74.00 H new ATOM 798 N ASP A 54 1.842 16.261 17.970 1.00 43.45 N ATOM 799 CA ASP A 54 2.482 17.526 18.312 1.00 14.55 C ATOM 800 C ASP A 54 2.521 17.723 19.825 1.00 55.33 C ATOM 801 O ASP A 54 1.514 17.542 20.510 1.00 32.51 O ATOM 802 CB ASP A 54 1.742 18.691 17.653 1.00 40.51 C ATOM 803 CG ASP A 54 2.568 19.962 17.629 1.00 41.42 C ATOM 804 OD1 ASP A 54 3.665 19.968 18.226 1.00 51.04 O ATOM 805 OD2 ASP A 54 2.118 20.952 17.014 1.00 75.21 O ATOM 0 H ASP A 54 0.952 16.097 18.441 1.00 43.45 H new ATOM 0 HA ASP A 54 3.506 17.499 17.940 1.00 14.55 H new ATOM 0 HB2 ASP A 54 1.473 18.416 16.633 1.00 40.51 H new ATOM 0 HB3 ASP A 54 0.811 18.876 18.189 1.00 40.51 H new ATOM 810 N ILE A 55 3.689 18.094 20.338 1.00 15.50 N ATOM 811 CA ILE A 55 3.858 18.316 21.769 1.00 71.42 C ATOM 812 C ILE A 55 4.194 19.774 22.064 1.00 71.53 C ATOM 813 O ILE A 55 4.972 20.071 22.970 1.00 33.35 O ATOM 814 CB ILE A 55 4.966 17.417 22.350 1.00 52.50 C ATOM 815 CG1 ILE A 55 6.173 17.386 21.410 1.00 75.11 C ATOM 816 CG2 ILE A 55 4.437 16.011 22.589 1.00 53.20 C ATOM 817 CD1 ILE A 55 6.104 16.285 20.375 1.00 33.31 C ATOM 0 H ILE A 55 4.532 18.247 19.785 1.00 15.50 H new ATOM 0 HA ILE A 55 2.909 18.062 22.242 1.00 71.42 H new ATOM 0 HB ILE A 55 5.285 17.831 23.307 1.00 52.50 H new ATOM 0 HG12 ILE A 55 6.252 18.347 20.902 1.00 75.11 H new ATOM 0 HG13 ILE A 55 7.081 17.262 22.001 1.00 75.11 H new ATOM 0 HG21 ILE A 55 5.232 15.388 23.000 1.00 53.20 H new ATOM 0 HG22 ILE A 55 3.606 16.050 23.293 1.00 53.20 H new ATOM 0 HG23 ILE A 55 4.094 15.586 21.646 1.00 53.20 H new ATOM 0 HD11 ILE A 55 6.992 16.323 19.744 1.00 33.31 H new ATOM 0 HD12 ILE A 55 6.056 15.318 20.875 1.00 33.31 H new ATOM 0 HD13 ILE A 55 5.215 16.420 19.759 1.00 33.31 H new ATOM 829 N ARG A 56 3.601 20.679 21.293 1.00 40.33 N ATOM 830 CA ARG A 56 3.837 22.107 21.472 1.00 72.14 C ATOM 831 C ARG A 56 2.934 22.926 20.555 1.00 55.25 C ATOM 832 O ARG A 56 3.411 23.647 19.679 1.00 4.22 O ATOM 833 CB ARG A 56 5.303 22.442 21.193 1.00 42.10 C ATOM 834 CG ARG A 56 5.682 23.868 21.560 1.00 64.44 C ATOM 835 CD ARG A 56 5.552 24.112 23.055 1.00 62.41 C ATOM 836 NE ARG A 56 4.231 24.620 23.413 1.00 10.24 N ATOM 837 CZ ARG A 56 3.866 25.889 23.264 1.00 63.34 C ATOM 838 NH1 ARG A 56 4.719 26.773 22.764 1.00 21.43 N ATOM 839 NH2 ARG A 56 2.646 26.275 23.613 1.00 11.20 N ATOM 0 H ARG A 56 2.954 20.449 20.539 1.00 40.33 H new ATOM 0 HA ARG A 56 3.603 22.362 22.506 1.00 72.14 H new ATOM 0 HB2 ARG A 56 5.937 21.752 21.750 1.00 42.10 H new ATOM 0 HB3 ARG A 56 5.509 22.281 20.135 1.00 42.10 H new ATOM 0 HG2 ARG A 56 6.707 24.065 21.246 1.00 64.44 H new ATOM 0 HG3 ARG A 56 5.043 24.566 21.019 1.00 64.44 H new ATOM 0 HD2 ARG A 56 5.741 23.182 23.592 1.00 62.41 H new ATOM 0 HD3 ARG A 56 6.313 24.824 23.374 1.00 62.41 H new ATOM 0 HE ARG A 56 3.551 23.965 23.799 1.00 10.24 H new ATOM 0 HH11 ARG A 56 5.657 26.479 22.493 1.00 21.43 H new ATOM 0 HH12 ARG A 56 4.437 27.747 22.651 1.00 21.43 H new ATOM 0 HH21 ARG A 56 1.987 25.597 23.996 1.00 11.20 H new ATOM 0 HH22 ARG A 56 2.367 27.249 23.498 1.00 11.20 H new ATOM 853 N MET A 57 1.626 22.809 20.762 1.00 40.12 N ATOM 854 CA MET A 57 0.656 23.540 19.954 1.00 22.40 C ATOM 855 C MET A 57 -0.515 24.014 20.808 1.00 12.21 C ATOM 856 O MET A 57 -0.861 23.408 21.822 1.00 22.24 O ATOM 857 CB MET A 57 0.146 22.659 18.812 1.00 52.34 C ATOM 858 CG MET A 57 -0.183 21.238 19.240 1.00 43.24 C ATOM 859 SD MET A 57 -1.479 20.492 18.233 1.00 61.32 S ATOM 860 CE MET A 57 -1.635 18.889 19.016 1.00 35.25 C ATOM 0 H MET A 57 1.214 22.215 21.482 1.00 40.12 H new ATOM 0 HA MET A 57 1.154 24.414 19.535 1.00 22.40 H new ATOM 0 HB2 MET A 57 -0.746 23.116 18.382 1.00 52.34 H new ATOM 0 HB3 MET A 57 0.899 22.627 18.025 1.00 52.34 H new ATOM 0 HG2 MET A 57 0.717 20.626 19.178 1.00 43.24 H new ATOM 0 HG3 MET A 57 -0.496 21.240 20.284 1.00 43.24 H new ATOM 0 HE1 MET A 57 -1.736 18.119 18.251 1.00 35.25 H new ATOM 0 HE2 MET A 57 -0.748 18.690 19.617 1.00 35.25 H new ATOM 0 HE3 MET A 57 -2.516 18.881 19.657 1.00 35.25 H new ATOM 870 N PRO A 58 -1.142 25.124 20.391 1.00 44.33 N ATOM 871 CA PRO A 58 -2.284 25.704 21.104 1.00 42.25 C ATOM 872 C PRO A 58 -3.535 24.839 20.994 1.00 1.45 C ATOM 873 O PRO A 58 -4.455 25.154 20.240 1.00 22.44 O ATOM 874 CB PRO A 58 -2.498 27.046 20.398 1.00 30.23 C ATOM 875 CG PRO A 58 -1.938 26.849 19.032 1.00 42.30 C ATOM 876 CD PRO A 58 -0.783 25.899 19.191 1.00 75.35 C ATOM 0 HA PRO A 58 -2.094 25.795 22.173 1.00 42.25 H new ATOM 0 HB2 PRO A 58 -3.555 27.308 20.358 1.00 30.23 H new ATOM 0 HB3 PRO A 58 -1.988 27.855 20.922 1.00 30.23 H new ATOM 0 HG2 PRO A 58 -2.690 26.440 18.357 1.00 42.30 H new ATOM 0 HG3 PRO A 58 -1.608 27.796 18.605 1.00 42.30 H new ATOM 0 HD2 PRO A 58 -0.667 25.257 18.318 1.00 75.35 H new ATOM 0 HD3 PRO A 58 0.159 26.431 19.323 1.00 75.35 H new ATOM 884 N GLY A 59 -3.563 23.748 21.753 1.00 25.14 N ATOM 885 CA GLY A 59 -4.706 22.855 21.727 1.00 31.21 C ATOM 886 C GLY A 59 -4.786 21.978 22.961 1.00 2.43 C ATOM 887 O GLY A 59 -5.782 22.002 23.684 1.00 63.43 O ATOM 0 H GLY A 59 -2.814 23.467 22.386 1.00 25.14 H new ATOM 0 HA2 GLY A 59 -5.620 23.443 21.643 1.00 31.21 H new ATOM 0 HA3 GLY A 59 -4.650 22.224 20.840 1.00 31.21 H new ATOM 891 N MET A 60 -3.735 21.202 23.203 1.00 65.04 N ATOM 892 CA MET A 60 -3.690 20.313 24.358 1.00 15.41 C ATOM 893 C MET A 60 -2.271 19.811 24.604 1.00 74.45 C ATOM 894 O MET A 60 -1.560 20.328 25.464 1.00 5.52 O ATOM 895 CB MET A 60 -4.636 19.128 24.153 1.00 23.01 C ATOM 896 CG MET A 60 -4.486 18.042 25.206 1.00 1.13 C ATOM 897 SD MET A 60 -5.980 17.051 25.399 1.00 2.25 S ATOM 898 CE MET A 60 -5.739 15.822 24.119 1.00 25.24 C ATOM 0 H MET A 60 -2.903 21.171 22.614 1.00 65.04 H new ATOM 0 HA MET A 60 -4.012 20.878 25.233 1.00 15.41 H new ATOM 0 HB2 MET A 60 -5.664 19.489 24.159 1.00 23.01 H new ATOM 0 HB3 MET A 60 -4.456 18.696 23.169 1.00 23.01 H new ATOM 0 HG2 MET A 60 -3.655 17.391 24.935 1.00 1.13 H new ATOM 0 HG3 MET A 60 -4.233 18.501 26.162 1.00 1.13 H new ATOM 0 HE1 MET A 60 -6.600 15.154 24.089 1.00 25.24 H new ATOM 0 HE2 MET A 60 -5.630 16.318 23.154 1.00 25.24 H new ATOM 0 HE3 MET A 60 -4.840 15.245 24.334 1.00 25.24 H new ATOM 908 N ASP A 61 -1.867 18.800 23.843 1.00 60.53 N ATOM 909 CA ASP A 61 -0.532 18.227 23.977 1.00 13.54 C ATOM 910 C ASP A 61 -0.363 17.021 23.059 1.00 41.42 C ATOM 911 O ASP A 61 -1.257 16.689 22.282 1.00 35.05 O ATOM 912 CB ASP A 61 -0.273 17.819 25.428 1.00 12.45 C ATOM 913 CG ASP A 61 -1.470 17.137 26.061 1.00 54.42 C ATOM 914 OD1 ASP A 61 -1.879 16.070 25.558 1.00 42.12 O ATOM 915 OD2 ASP A 61 -2.000 17.672 27.058 1.00 23.52 O ATOM 0 H ASP A 61 -2.445 18.360 23.127 1.00 60.53 H new ATOM 0 HA ASP A 61 0.193 18.987 23.686 1.00 13.54 H new ATOM 0 HB2 ASP A 61 0.585 17.148 25.466 1.00 12.45 H new ATOM 0 HB3 ASP A 61 -0.013 18.703 26.010 1.00 12.45 H new ATOM 920 N GLY A 62 0.793 16.370 23.152 1.00 14.04 N ATOM 921 CA GLY A 62 1.059 15.209 22.324 1.00 71.05 C ATOM 922 C GLY A 62 1.076 13.920 23.120 1.00 22.52 C ATOM 923 O GLY A 62 0.855 12.839 22.572 1.00 65.14 O ATOM 0 H GLY A 62 1.550 16.626 23.786 1.00 14.04 H new ATOM 0 HA2 GLY A 62 0.300 15.141 21.545 1.00 71.05 H new ATOM 0 HA3 GLY A 62 2.019 15.336 21.824 1.00 71.05 H new ATOM 927 N LEU A 63 1.340 14.031 24.417 1.00 25.12 N ATOM 928 CA LEU A 63 1.388 12.864 25.291 1.00 34.04 C ATOM 929 C LEU A 63 0.020 12.194 25.379 1.00 23.40 C ATOM 930 O LEU A 63 -0.098 10.979 25.222 1.00 25.23 O ATOM 931 CB LEU A 63 1.861 13.268 26.689 1.00 73.11 C ATOM 932 CG LEU A 63 3.355 13.559 26.834 1.00 72.23 C ATOM 933 CD1 LEU A 63 3.664 14.085 28.227 1.00 73.12 C ATOM 934 CD2 LEU A 63 4.172 12.309 26.540 1.00 3.40 C ATOM 0 H LEU A 63 1.524 14.917 24.887 1.00 25.12 H new ATOM 0 HA LEU A 63 2.095 12.151 24.867 1.00 34.04 H new ATOM 0 HB2 LEU A 63 1.307 14.155 26.996 1.00 73.11 H new ATOM 0 HB3 LEU A 63 1.597 12.471 27.384 1.00 73.11 H new ATOM 0 HG LEU A 63 3.628 14.327 26.110 1.00 72.23 H new ATOM 0 HD11 LEU A 63 4.732 14.286 28.311 1.00 73.12 H new ATOM 0 HD12 LEU A 63 3.106 15.005 28.400 1.00 73.12 H new ATOM 0 HD13 LEU A 63 3.375 13.341 28.969 1.00 73.12 H new ATOM 0 HD21 LEU A 63 5.233 12.534 26.648 1.00 3.40 H new ATOM 0 HD22 LEU A 63 3.895 11.521 27.240 1.00 3.40 H new ATOM 0 HD23 LEU A 63 3.974 11.976 25.521 1.00 3.40 H new ATOM 946 N ALA A 64 -1.011 12.994 25.628 1.00 3.44 N ATOM 947 CA ALA A 64 -2.370 12.479 25.732 1.00 13.43 C ATOM 948 C ALA A 64 -2.778 11.746 24.459 1.00 33.12 C ATOM 949 O ALA A 64 -3.650 10.876 24.484 1.00 62.32 O ATOM 950 CB ALA A 64 -3.343 13.612 26.026 1.00 42.12 C ATOM 0 H ALA A 64 -0.931 14.002 25.762 1.00 3.44 H new ATOM 0 HA ALA A 64 -2.400 11.766 26.556 1.00 13.43 H new ATOM 0 HB1 ALA A 64 -4.354 13.213 26.101 1.00 42.12 H new ATOM 0 HB2 ALA A 64 -3.071 14.090 26.967 1.00 42.12 H new ATOM 0 HB3 ALA A 64 -3.301 14.346 25.221 1.00 42.12 H new ATOM 956 N LEU A 65 -2.144 12.102 23.348 1.00 53.54 N ATOM 957 CA LEU A 65 -2.442 11.478 22.063 1.00 1.22 C ATOM 958 C LEU A 65 -1.636 10.196 21.881 1.00 33.23 C ATOM 959 O LEU A 65 -2.164 9.177 21.433 1.00 23.35 O ATOM 960 CB LEU A 65 -2.141 12.449 20.920 1.00 15.21 C ATOM 961 CG LEU A 65 -2.737 12.088 19.559 1.00 43.14 C ATOM 962 CD1 LEU A 65 -4.255 12.159 19.604 1.00 11.31 C ATOM 963 CD2 LEU A 65 -2.190 13.008 18.477 1.00 61.24 C ATOM 0 H LEU A 65 -1.420 12.820 23.310 1.00 53.54 H new ATOM 0 HA LEU A 65 -3.502 11.225 22.047 1.00 1.22 H new ATOM 0 HB2 LEU A 65 -2.505 13.437 21.203 1.00 15.21 H new ATOM 0 HB3 LEU A 65 -1.059 12.527 20.811 1.00 15.21 H new ATOM 0 HG LEU A 65 -2.449 11.065 19.318 1.00 43.14 H new ATOM 0 HD11 LEU A 65 -4.661 11.899 18.626 1.00 11.31 H new ATOM 0 HD12 LEU A 65 -4.630 11.459 20.350 1.00 11.31 H new ATOM 0 HD13 LEU A 65 -4.564 13.170 19.868 1.00 11.31 H new ATOM 0 HD21 LEU A 65 -2.625 12.737 17.515 1.00 61.24 H new ATOM 0 HD22 LEU A 65 -2.447 14.041 18.713 1.00 61.24 H new ATOM 0 HD23 LEU A 65 -1.106 12.906 18.427 1.00 61.24 H new ATOM 975 N LEU A 66 -0.357 10.253 22.233 1.00 24.52 N ATOM 976 CA LEU A 66 0.522 9.095 22.111 1.00 25.32 C ATOM 977 C LEU A 66 0.110 7.993 23.082 1.00 73.11 C ATOM 978 O LEU A 66 0.359 6.812 22.840 1.00 75.41 O ATOM 979 CB LEU A 66 1.974 9.502 22.371 1.00 32.14 C ATOM 980 CG LEU A 66 3.028 8.422 22.126 1.00 42.14 C ATOM 981 CD1 LEU A 66 3.247 8.219 20.634 1.00 33.13 C ATOM 982 CD2 LEU A 66 4.336 8.787 22.813 1.00 12.21 C ATOM 0 H LEU A 66 0.095 11.088 22.605 1.00 24.52 H new ATOM 0 HA LEU A 66 0.435 8.710 21.095 1.00 25.32 H new ATOM 0 HB2 LEU A 66 2.208 10.360 21.741 1.00 32.14 H new ATOM 0 HB3 LEU A 66 2.057 9.835 23.406 1.00 32.14 H new ATOM 0 HG LEU A 66 2.666 7.486 22.551 1.00 42.14 H new ATOM 0 HD11 LEU A 66 4.000 7.447 20.479 1.00 33.13 H new ATOM 0 HD12 LEU A 66 2.311 7.912 20.167 1.00 33.13 H new ATOM 0 HD13 LEU A 66 3.587 9.153 20.186 1.00 33.13 H new ATOM 0 HD21 LEU A 66 5.074 8.007 22.628 1.00 12.21 H new ATOM 0 HD22 LEU A 66 4.702 9.735 22.418 1.00 12.21 H new ATOM 0 HD23 LEU A 66 4.169 8.881 23.886 1.00 12.21 H new ATOM 994 N LYS A 67 -0.525 8.387 24.181 1.00 64.10 N ATOM 995 CA LYS A 67 -0.976 7.434 25.188 1.00 72.23 C ATOM 996 C LYS A 67 -2.080 6.539 24.634 1.00 53.15 C ATOM 997 O LYS A 67 -2.336 5.457 25.160 1.00 71.52 O ATOM 998 CB LYS A 67 -1.479 8.173 26.430 1.00 72.41 C ATOM 999 CG LYS A 67 -0.446 8.271 27.539 1.00 32.32 C ATOM 1000 CD LYS A 67 -0.844 7.438 28.746 1.00 25.14 C ATOM 1001 CE LYS A 67 -1.741 8.221 29.693 1.00 61.34 C ATOM 1002 NZ LYS A 67 -1.840 7.570 31.029 1.00 44.34 N ATOM 0 H LYS A 67 -0.739 9.361 24.397 1.00 64.10 H new ATOM 0 HA LYS A 67 -0.128 6.807 25.464 1.00 72.23 H new ATOM 0 HB2 LYS A 67 -1.789 9.178 26.144 1.00 72.41 H new ATOM 0 HB3 LYS A 67 -2.363 7.663 26.813 1.00 72.41 H new ATOM 0 HG2 LYS A 67 0.522 7.935 27.167 1.00 32.32 H new ATOM 0 HG3 LYS A 67 -0.329 9.313 27.837 1.00 32.32 H new ATOM 0 HD2 LYS A 67 -1.362 6.538 28.414 1.00 25.14 H new ATOM 0 HD3 LYS A 67 0.051 7.113 29.276 1.00 25.14 H new ATOM 0 HE2 LYS A 67 -1.351 9.232 29.810 1.00 61.34 H new ATOM 0 HE3 LYS A 67 -2.737 8.312 29.259 1.00 61.34 H new ATOM 0 HZ1 LYS A 67 -2.460 8.134 31.645 1.00 44.34 H new ATOM 0 HZ2 LYS A 67 -2.236 6.614 30.921 1.00 44.34 H new ATOM 0 HZ3 LYS A 67 -0.893 7.506 31.455 1.00 44.34 H new ATOM 1016 N GLN A 68 -2.729 6.999 23.568 1.00 33.55 N ATOM 1017 CA GLN A 68 -3.805 6.238 22.943 1.00 11.35 C ATOM 1018 C GLN A 68 -3.250 5.242 21.931 1.00 75.22 C ATOM 1019 O GLN A 68 -3.556 4.050 21.987 1.00 2.21 O ATOM 1020 CB GLN A 68 -4.794 7.183 22.258 1.00 31.22 C ATOM 1021 CG GLN A 68 -6.028 7.482 23.094 1.00 53.12 C ATOM 1022 CD GLN A 68 -7.272 7.678 22.249 1.00 44.21 C ATOM 1023 OE1 GLN A 68 -7.434 7.044 21.206 1.00 41.00 O ATOM 1024 NE2 GLN A 68 -8.158 8.560 22.696 1.00 52.04 N ATOM 0 H GLN A 68 -2.529 7.893 23.120 1.00 33.55 H new ATOM 0 HA GLN A 68 -4.325 5.683 23.723 1.00 11.35 H new ATOM 0 HB2 GLN A 68 -4.287 8.120 22.025 1.00 31.22 H new ATOM 0 HB3 GLN A 68 -5.105 6.745 21.310 1.00 31.22 H new ATOM 0 HG2 GLN A 68 -6.195 6.664 23.795 1.00 53.12 H new ATOM 0 HG3 GLN A 68 -5.851 8.379 23.688 1.00 53.12 H new ATOM 0 HE21 GLN A 68 -7.983 9.063 23.566 1.00 52.04 H new ATOM 0 HE22 GLN A 68 -9.014 8.735 22.170 1.00 52.04 H new ATOM 1033 N ILE A 69 -2.435 5.737 21.006 1.00 11.42 N ATOM 1034 CA ILE A 69 -1.838 4.890 19.982 1.00 63.13 C ATOM 1035 C ILE A 69 -0.861 3.892 20.595 1.00 74.33 C ATOM 1036 O ILE A 69 -0.550 2.862 19.995 1.00 10.41 O ATOM 1037 CB ILE A 69 -1.100 5.726 18.919 1.00 32.02 C ATOM 1038 CG1 ILE A 69 -0.161 6.730 19.591 1.00 41.05 C ATOM 1039 CG2 ILE A 69 -2.098 6.444 18.023 1.00 35.41 C ATOM 1040 CD1 ILE A 69 0.798 7.397 18.629 1.00 31.31 C ATOM 0 H ILE A 69 -2.173 6.721 20.945 1.00 11.42 H new ATOM 0 HA ILE A 69 -2.655 4.349 19.504 1.00 63.13 H new ATOM 0 HB ILE A 69 -0.503 5.056 18.301 1.00 32.02 H new ATOM 0 HG12 ILE A 69 -0.756 7.496 20.088 1.00 41.05 H new ATOM 0 HG13 ILE A 69 0.411 6.219 20.365 1.00 41.05 H new ATOM 0 HG21 ILE A 69 -1.561 7.030 17.277 1.00 35.41 H new ATOM 0 HG22 ILE A 69 -2.730 5.711 17.522 1.00 35.41 H new ATOM 0 HG23 ILE A 69 -2.719 7.106 18.627 1.00 35.41 H new ATOM 0 HD11 ILE A 69 1.433 8.096 19.174 1.00 31.31 H new ATOM 0 HD12 ILE A 69 1.419 6.640 18.151 1.00 31.31 H new ATOM 0 HD13 ILE A 69 0.234 7.937 17.869 1.00 31.31 H new ATOM 1052 N LYS A 70 -0.382 4.202 21.795 1.00 72.25 N ATOM 1053 CA LYS A 70 0.557 3.331 22.492 1.00 13.43 C ATOM 1054 C LYS A 70 -0.180 2.224 23.240 1.00 41.43 C ATOM 1055 O LYS A 70 0.286 1.087 23.297 1.00 33.22 O ATOM 1056 CB LYS A 70 1.406 4.144 23.472 1.00 45.45 C ATOM 1057 CG LYS A 70 2.541 4.905 22.807 1.00 72.35 C ATOM 1058 CD LYS A 70 3.562 3.960 22.195 1.00 2.23 C ATOM 1059 CE LYS A 70 4.897 4.654 21.969 1.00 71.53 C ATOM 1060 NZ LYS A 70 5.559 4.187 20.719 1.00 50.30 N ATOM 0 H LYS A 70 -0.629 5.050 22.305 1.00 72.25 H new ATOM 0 HA LYS A 70 1.209 2.872 21.749 1.00 13.43 H new ATOM 0 HB2 LYS A 70 0.763 4.851 23.996 1.00 45.45 H new ATOM 0 HB3 LYS A 70 1.821 3.473 24.224 1.00 45.45 H new ATOM 0 HG2 LYS A 70 2.138 5.558 22.033 1.00 72.35 H new ATOM 0 HG3 LYS A 70 3.030 5.545 23.541 1.00 72.35 H new ATOM 0 HD2 LYS A 70 3.703 3.101 22.851 1.00 2.23 H new ATOM 0 HD3 LYS A 70 3.184 3.578 21.247 1.00 2.23 H new ATOM 0 HE2 LYS A 70 4.742 5.732 21.917 1.00 71.53 H new ATOM 0 HE3 LYS A 70 5.553 4.466 22.819 1.00 71.53 H new ATOM 0 HZ1 LYS A 70 5.954 5.003 20.210 1.00 50.30 H new ATOM 0 HZ2 LYS A 70 6.324 3.524 20.958 1.00 50.30 H new ATOM 0 HZ3 LYS A 70 4.861 3.707 20.115 1.00 50.30 H new ATOM 1074 N GLN A 71 -1.332 2.566 23.809 1.00 65.23 N ATOM 1075 CA GLN A 71 -2.132 1.600 24.551 1.00 20.55 C ATOM 1076 C GLN A 71 -3.109 0.878 23.629 1.00 51.31 C ATOM 1077 O GLN A 71 -3.115 -0.350 23.554 1.00 72.52 O ATOM 1078 CB GLN A 71 -2.896 2.297 25.678 1.00 11.21 C ATOM 1079 CG GLN A 71 -2.027 2.652 26.874 1.00 51.23 C ATOM 1080 CD GLN A 71 -2.544 2.057 28.168 1.00 15.25 C ATOM 1081 OE1 GLN A 71 -3.704 2.252 28.535 1.00 61.41 O ATOM 1082 NE2 GLN A 71 -1.685 1.327 28.870 1.00 73.35 N ATOM 0 H GLN A 71 -1.731 3.504 23.770 1.00 65.23 H new ATOM 0 HA GLN A 71 -1.456 0.862 24.982 1.00 20.55 H new ATOM 0 HB2 GLN A 71 -3.352 3.207 25.288 1.00 11.21 H new ATOM 0 HB3 GLN A 71 -3.708 1.650 26.009 1.00 11.21 H new ATOM 0 HG2 GLN A 71 -1.011 2.300 26.697 1.00 51.23 H new ATOM 0 HG3 GLN A 71 -1.976 3.736 26.972 1.00 51.23 H new ATOM 0 HE21 GLN A 71 -0.733 1.191 28.529 1.00 73.35 H new ATOM 0 HE22 GLN A 71 -1.977 0.902 29.750 1.00 73.35 H new ATOM 1091 N ARG A 72 -3.934 1.650 22.929 1.00 41.40 N ATOM 1092 CA ARG A 72 -4.917 1.085 22.012 1.00 24.25 C ATOM 1093 C ARG A 72 -4.256 0.113 21.039 1.00 30.22 C ATOM 1094 O ARG A 72 -4.682 -1.035 20.906 1.00 20.05 O ATOM 1095 CB ARG A 72 -5.623 2.199 21.237 1.00 23.41 C ATOM 1096 CG ARG A 72 -7.065 1.875 20.885 1.00 55.31 C ATOM 1097 CD ARG A 72 -7.928 3.127 20.866 1.00 14.25 C ATOM 1098 NE ARG A 72 -9.342 2.820 21.065 1.00 54.41 N ATOM 1099 CZ ARG A 72 -10.104 2.239 20.145 1.00 53.20 C ATOM 1100 NH1 ARG A 72 -9.591 1.903 18.970 1.00 42.43 N ATOM 1101 NH2 ARG A 72 -11.383 1.992 20.400 1.00 1.42 N ATOM 0 H ARG A 72 -3.941 2.669 22.979 1.00 41.40 H new ATOM 0 HA ARG A 72 -5.654 0.539 22.600 1.00 24.25 H new ATOM 0 HB2 ARG A 72 -5.599 3.114 21.829 1.00 23.41 H new ATOM 0 HB3 ARG A 72 -5.070 2.399 20.319 1.00 23.41 H new ATOM 0 HG2 ARG A 72 -7.103 1.391 19.909 1.00 55.31 H new ATOM 0 HG3 ARG A 72 -7.467 1.166 21.608 1.00 55.31 H new ATOM 0 HD2 ARG A 72 -7.592 3.811 21.646 1.00 14.25 H new ATOM 0 HD3 ARG A 72 -7.799 3.642 19.914 1.00 14.25 H new ATOM 0 HE ARG A 72 -9.768 3.065 21.959 1.00 54.41 H new ATOM 0 HH11 ARG A 72 -8.608 2.090 18.770 1.00 42.43 H new ATOM 0 HH12 ARG A 72 -10.179 1.457 18.266 1.00 42.43 H new ATOM 0 HH21 ARG A 72 -11.782 2.248 21.303 1.00 1.42 H new ATOM 0 HH22 ARG A 72 -11.967 1.546 19.693 1.00 1.42 H new ATOM 1115 N HIS A 73 -3.213 0.580 20.360 1.00 54.41 N ATOM 1116 CA HIS A 73 -2.494 -0.247 19.399 1.00 63.44 C ATOM 1117 C HIS A 73 -1.126 0.351 19.083 1.00 22.55 C ATOM 1118 O HIS A 73 -0.950 1.080 18.107 1.00 31.22 O ATOM 1119 CB HIS A 73 -3.307 -0.396 18.112 1.00 22.13 C ATOM 1120 CG HIS A 73 -4.189 0.779 17.822 1.00 33.33 C ATOM 1121 ND1 HIS A 73 -5.566 0.718 17.878 1.00 62.22 N ATOM 1122 CD2 HIS A 73 -3.884 2.051 17.474 1.00 32.34 C ATOM 1123 CE1 HIS A 73 -6.069 1.901 17.575 1.00 72.02 C ATOM 1124 NE2 HIS A 73 -5.070 2.728 17.326 1.00 23.23 N ATOM 0 H HIS A 73 -2.847 1.527 20.458 1.00 54.41 H new ATOM 0 HA HIS A 73 -2.347 -1.231 19.843 1.00 63.44 H new ATOM 0 HB2 HIS A 73 -2.624 -0.543 17.275 1.00 22.13 H new ATOM 0 HB3 HIS A 73 -3.922 -1.293 18.182 1.00 22.13 H new ATOM 0 HD1 HIS A 73 -6.110 -0.111 18.116 1.00 62.22 H new ATOM 0 HD2 HIS A 73 -2.893 2.458 17.338 1.00 32.34 H new ATOM 0 HE1 HIS A 73 -7.119 2.150 17.537 1.00 72.02 H new ATOM 1132 N PRO A 74 -0.133 0.036 19.929 1.00 11.50 N ATOM 1133 CA PRO A 74 1.236 0.532 19.761 1.00 1.44 C ATOM 1134 C PRO A 74 1.934 -0.089 18.556 1.00 2.43 C ATOM 1135 O PRO A 74 3.040 0.311 18.194 1.00 50.54 O ATOM 1136 CB PRO A 74 1.929 0.107 21.058 1.00 12.14 C ATOM 1137 CG PRO A 74 1.152 -1.072 21.533 1.00 22.24 C ATOM 1138 CD PRO A 74 -0.271 -0.827 21.114 1.00 62.45 C ATOM 0 HA PRO A 74 1.261 1.607 19.581 1.00 1.44 H new ATOM 0 HB2 PRO A 74 2.973 -0.151 20.883 1.00 12.14 H new ATOM 0 HB3 PRO A 74 1.919 0.911 21.794 1.00 12.14 H new ATOM 0 HG2 PRO A 74 1.535 -1.994 21.095 1.00 22.24 H new ATOM 0 HG3 PRO A 74 1.227 -1.179 22.615 1.00 22.24 H new ATOM 0 HD2 PRO A 74 -0.786 -1.758 20.876 1.00 62.45 H new ATOM 0 HD3 PRO A 74 -0.844 -0.339 21.902 1.00 62.45 H new ATOM 1146 N MET A 75 1.281 -1.068 17.940 1.00 72.03 N ATOM 1147 CA MET A 75 1.839 -1.743 16.774 1.00 42.13 C ATOM 1148 C MET A 75 1.757 -0.852 15.538 1.00 11.35 C ATOM 1149 O MET A 75 2.288 -1.190 14.480 1.00 43.10 O ATOM 1150 CB MET A 75 1.102 -3.059 16.518 1.00 51.33 C ATOM 1151 CG MET A 75 2.020 -4.268 16.458 1.00 25.55 C ATOM 1152 SD MET A 75 2.147 -4.964 14.800 1.00 43.33 S ATOM 1153 CE MET A 75 3.800 -5.652 14.846 1.00 4.53 C ATOM 0 H MET A 75 0.365 -1.412 18.228 1.00 72.03 H new ATOM 0 HA MET A 75 2.888 -1.956 16.977 1.00 42.13 H new ATOM 0 HB2 MET A 75 0.364 -3.212 17.306 1.00 51.33 H new ATOM 0 HB3 MET A 75 0.554 -2.982 15.579 1.00 51.33 H new ATOM 0 HG2 MET A 75 3.013 -3.982 16.805 1.00 25.55 H new ATOM 0 HG3 MET A 75 1.652 -5.033 17.141 1.00 25.55 H new ATOM 0 HE1 MET A 75 4.026 -6.120 13.888 1.00 4.53 H new ATOM 0 HE2 MET A 75 4.520 -4.857 15.041 1.00 4.53 H new ATOM 0 HE3 MET A 75 3.861 -6.399 15.638 1.00 4.53 H new ATOM 1163 N LEU A 76 1.088 0.287 15.680 1.00 51.22 N ATOM 1164 CA LEU A 76 0.936 1.227 14.575 1.00 52.32 C ATOM 1165 C LEU A 76 2.108 2.203 14.524 1.00 35.53 C ATOM 1166 O LEU A 76 2.511 2.779 15.534 1.00 2.05 O ATOM 1167 CB LEU A 76 -0.378 1.998 14.712 1.00 14.12 C ATOM 1168 CG LEU A 76 -1.303 1.972 13.494 1.00 24.43 C ATOM 1169 CD1 LEU A 76 -2.759 2.009 13.929 1.00 75.12 C ATOM 1170 CD2 LEU A 76 -0.992 3.135 12.564 1.00 63.34 C ATOM 0 H LEU A 76 0.642 0.582 16.549 1.00 51.22 H new ATOM 0 HA LEU A 76 0.921 0.657 13.646 1.00 52.32 H new ATOM 0 HB2 LEU A 76 -0.924 1.597 15.566 1.00 14.12 H new ATOM 0 HB3 LEU A 76 -0.144 3.037 14.943 1.00 14.12 H new ATOM 0 HG LEU A 76 -1.132 1.043 12.951 1.00 24.43 H new ATOM 0 HD11 LEU A 76 -3.402 1.990 13.049 1.00 75.12 H new ATOM 0 HD12 LEU A 76 -2.974 1.143 14.555 1.00 75.12 H new ATOM 0 HD13 LEU A 76 -2.946 2.921 14.496 1.00 75.12 H new ATOM 0 HD21 LEU A 76 -1.659 3.101 11.703 1.00 63.34 H new ATOM 0 HD22 LEU A 76 -1.135 4.075 13.097 1.00 63.34 H new ATOM 0 HD23 LEU A 76 0.041 3.063 12.225 1.00 63.34 H new ATOM 1182 N PRO A 77 2.667 2.394 13.320 1.00 14.43 N ATOM 1183 CA PRO A 77 3.798 3.302 13.108 1.00 21.04 C ATOM 1184 C PRO A 77 3.404 4.766 13.268 1.00 42.53 C ATOM 1185 O PRO A 77 2.480 5.246 12.611 1.00 42.33 O ATOM 1186 CB PRO A 77 4.218 3.015 11.665 1.00 55.04 C ATOM 1187 CG PRO A 77 2.986 2.494 11.009 1.00 54.24 C ATOM 1188 CD PRO A 77 2.237 1.741 12.073 1.00 72.52 C ATOM 0 HA PRO A 77 4.592 3.141 13.837 1.00 21.04 H new ATOM 0 HB2 PRO A 77 4.579 3.917 11.171 1.00 55.04 H new ATOM 0 HB3 PRO A 77 5.027 2.285 11.626 1.00 55.04 H new ATOM 0 HG2 PRO A 77 2.382 3.309 10.609 1.00 54.24 H new ATOM 0 HG3 PRO A 77 3.236 1.842 10.172 1.00 54.24 H new ATOM 0 HD2 PRO A 77 1.158 1.813 11.933 1.00 72.52 H new ATOM 0 HD3 PRO A 77 2.489 0.680 12.067 1.00 72.52 H new ATOM 1196 N VAL A 78 4.111 5.473 14.144 1.00 23.11 N ATOM 1197 CA VAL A 78 3.836 6.884 14.388 1.00 24.33 C ATOM 1198 C VAL A 78 5.114 7.712 14.322 1.00 44.23 C ATOM 1199 O VAL A 78 6.196 7.231 14.661 1.00 41.41 O ATOM 1200 CB VAL A 78 3.171 7.096 15.761 1.00 53.41 C ATOM 1201 CG1 VAL A 78 2.779 8.555 15.944 1.00 20.44 C ATOM 1202 CG2 VAL A 78 1.960 6.188 15.912 1.00 23.51 C ATOM 0 H VAL A 78 4.879 5.091 14.697 1.00 23.11 H new ATOM 0 HA VAL A 78 3.152 7.214 13.606 1.00 24.33 H new ATOM 0 HB VAL A 78 3.890 6.837 16.538 1.00 53.41 H new ATOM 0 HG11 VAL A 78 2.311 8.686 16.919 1.00 20.44 H new ATOM 0 HG12 VAL A 78 3.669 9.181 15.881 1.00 20.44 H new ATOM 0 HG13 VAL A 78 2.076 8.844 15.162 1.00 20.44 H new ATOM 0 HG21 VAL A 78 1.502 6.351 16.888 1.00 23.51 H new ATOM 0 HG22 VAL A 78 1.236 6.414 15.129 1.00 23.51 H new ATOM 0 HG23 VAL A 78 2.273 5.147 15.827 1.00 23.51 H new ATOM 1212 N ILE A 79 4.982 8.959 13.883 1.00 2.40 N ATOM 1213 CA ILE A 79 6.127 9.856 13.774 1.00 75.44 C ATOM 1214 C ILE A 79 5.938 11.097 14.639 1.00 33.44 C ATOM 1215 O ILE A 79 4.860 11.692 14.662 1.00 71.31 O ATOM 1216 CB ILE A 79 6.363 10.292 12.316 1.00 74.35 C ATOM 1217 CG1 ILE A 79 6.396 9.071 11.394 1.00 74.30 C ATOM 1218 CG2 ILE A 79 7.657 11.083 12.202 1.00 23.33 C ATOM 1219 CD1 ILE A 79 6.507 9.424 9.927 1.00 34.52 C ATOM 0 H ILE A 79 4.094 9.372 13.597 1.00 2.40 H new ATOM 0 HA ILE A 79 6.997 9.301 14.125 1.00 75.44 H new ATOM 0 HB ILE A 79 5.539 10.935 12.007 1.00 74.35 H new ATOM 0 HG12 ILE A 79 7.239 8.439 11.672 1.00 74.30 H new ATOM 0 HG13 ILE A 79 5.492 8.483 11.550 1.00 74.30 H new ATOM 0 HG21 ILE A 79 7.809 11.384 11.165 1.00 23.33 H new ATOM 0 HG22 ILE A 79 7.598 11.970 12.832 1.00 23.33 H new ATOM 0 HG23 ILE A 79 8.492 10.463 12.526 1.00 23.33 H new ATOM 0 HD11 ILE A 79 6.525 8.510 9.333 1.00 34.52 H new ATOM 0 HD12 ILE A 79 5.651 10.031 9.633 1.00 34.52 H new ATOM 0 HD13 ILE A 79 7.425 9.986 9.756 1.00 34.52 H new ATOM 1231 N ILE A 80 6.993 11.482 15.349 1.00 13.21 N ATOM 1232 CA ILE A 80 6.944 12.654 16.214 1.00 11.31 C ATOM 1233 C ILE A 80 7.274 13.925 15.438 1.00 75.34 C ATOM 1234 O ILE A 80 8.238 13.965 14.674 1.00 20.23 O ATOM 1235 CB ILE A 80 7.920 12.522 17.398 1.00 63.43 C ATOM 1236 CG1 ILE A 80 7.779 11.146 18.052 1.00 60.32 C ATOM 1237 CG2 ILE A 80 7.673 13.626 18.415 1.00 73.42 C ATOM 1238 CD1 ILE A 80 6.379 10.850 18.541 1.00 14.23 C ATOM 0 H ILE A 80 7.892 11.000 15.342 1.00 13.21 H new ATOM 0 HA ILE A 80 5.926 12.719 16.598 1.00 11.31 H new ATOM 0 HB ILE A 80 8.938 12.623 17.023 1.00 63.43 H new ATOM 0 HG12 ILE A 80 8.074 10.380 17.335 1.00 60.32 H new ATOM 0 HG13 ILE A 80 8.470 11.079 18.892 1.00 60.32 H new ATOM 0 HG21 ILE A 80 8.371 13.518 19.245 1.00 73.42 H new ATOM 0 HG22 ILE A 80 7.820 14.597 17.941 1.00 73.42 H new ATOM 0 HG23 ILE A 80 6.651 13.555 18.788 1.00 73.42 H new ATOM 0 HD11 ILE A 80 6.353 9.858 18.993 1.00 14.23 H new ATOM 0 HD12 ILE A 80 6.088 11.594 19.282 1.00 14.23 H new ATOM 0 HD13 ILE A 80 5.685 10.884 17.701 1.00 14.23 H new ATOM 1250 N MET A 81 6.467 14.961 15.639 1.00 14.25 N ATOM 1251 CA MET A 81 6.675 16.235 14.960 1.00 33.23 C ATOM 1252 C MET A 81 6.451 17.403 15.915 1.00 13.11 C ATOM 1253 O MET A 81 5.381 17.535 16.512 1.00 64.02 O ATOM 1254 CB MET A 81 5.736 16.356 13.759 1.00 73.34 C ATOM 1255 CG MET A 81 5.688 17.754 13.163 1.00 34.52 C ATOM 1256 SD MET A 81 5.022 17.772 11.488 1.00 55.33 S ATOM 1257 CE MET A 81 3.286 17.471 11.810 1.00 34.01 C ATOM 0 H MET A 81 5.663 14.944 16.266 1.00 14.25 H new ATOM 0 HA MET A 81 7.707 16.268 14.610 1.00 33.23 H new ATOM 0 HB2 MET A 81 6.052 15.652 12.989 1.00 73.34 H new ATOM 0 HB3 MET A 81 4.731 16.065 14.064 1.00 73.34 H new ATOM 0 HG2 MET A 81 5.078 18.395 13.799 1.00 34.52 H new ATOM 0 HG3 MET A 81 6.693 18.176 13.155 1.00 34.52 H new ATOM 0 HE1 MET A 81 2.833 16.989 10.943 1.00 34.01 H new ATOM 0 HE2 MET A 81 3.184 16.822 12.680 1.00 34.01 H new ATOM 0 HE3 MET A 81 2.782 18.418 12.003 1.00 34.01 H new ATOM 1267 N THR A 82 7.466 18.250 16.056 1.00 71.21 N ATOM 1268 CA THR A 82 7.380 19.406 16.939 1.00 21.12 C ATOM 1269 C THR A 82 8.639 20.261 16.849 1.00 12.05 C ATOM 1270 O THR A 82 9.491 20.039 15.990 1.00 4.13 O ATOM 1271 CB THR A 82 7.166 18.979 18.404 1.00 42.33 C ATOM 1272 OG1 THR A 82 6.757 20.106 19.187 1.00 34.33 O ATOM 1273 CG2 THR A 82 8.440 18.386 18.986 1.00 3.42 C ATOM 0 H THR A 82 8.358 18.157 15.569 1.00 71.21 H new ATOM 0 HA THR A 82 6.522 19.992 16.610 1.00 21.12 H new ATOM 0 HB THR A 82 6.386 18.218 18.428 1.00 42.33 H new ATOM 0 HG1 THR A 82 5.794 20.250 19.076 1.00 34.33 H new ATOM 0 HG21 THR A 82 8.265 18.092 20.021 1.00 3.42 H new ATOM 0 HG22 THR A 82 8.733 17.512 18.405 1.00 3.42 H new ATOM 0 HG23 THR A 82 9.237 19.129 18.950 1.00 3.42 H new ATOM 1281 N ALA A 83 8.749 21.239 17.743 1.00 61.13 N ATOM 1282 CA ALA A 83 9.906 22.126 17.766 1.00 72.34 C ATOM 1283 C ALA A 83 10.816 21.810 18.947 1.00 23.23 C ATOM 1284 O ALA A 83 10.660 20.782 19.607 1.00 13.14 O ATOM 1285 CB ALA A 83 9.456 23.578 17.817 1.00 41.32 C ATOM 0 H ALA A 83 8.051 21.437 18.460 1.00 61.13 H new ATOM 0 HA ALA A 83 10.475 21.965 16.850 1.00 72.34 H new ATOM 0 HB1 ALA A 83 10.330 24.229 17.834 1.00 41.32 H new ATOM 0 HB2 ALA A 83 8.853 23.803 16.938 1.00 41.32 H new ATOM 0 HB3 ALA A 83 8.863 23.744 18.716 1.00 41.32 H new ATOM 1291 N HIS A 84 11.769 22.699 19.209 1.00 51.31 N ATOM 1292 CA HIS A 84 12.705 22.515 20.312 1.00 63.31 C ATOM 1293 C HIS A 84 11.963 22.208 21.609 1.00 0.42 C ATOM 1294 O HIS A 84 12.499 21.552 22.502 1.00 32.10 O ATOM 1295 CB HIS A 84 13.571 23.763 20.488 1.00 33.23 C ATOM 1296 CG HIS A 84 12.804 25.044 20.377 1.00 55.30 C ATOM 1297 ND1 HIS A 84 13.075 26.004 19.425 1.00 62.23 N ATOM 1298 CD2 HIS A 84 11.766 25.521 21.104 1.00 5.34 C ATOM 1299 CE1 HIS A 84 12.240 27.016 19.572 1.00 13.43 C ATOM 1300 NE2 HIS A 84 11.435 26.748 20.585 1.00 52.34 N ATOM 0 H HIS A 84 11.913 23.554 18.672 1.00 51.31 H new ATOM 0 HA HIS A 84 13.348 21.668 20.073 1.00 63.31 H new ATOM 0 HB2 HIS A 84 14.057 23.723 21.463 1.00 33.23 H new ATOM 0 HB3 HIS A 84 14.361 23.756 19.737 1.00 33.23 H new ATOM 0 HD2 HIS A 84 11.287 25.028 21.937 1.00 5.34 H new ATOM 0 HE1 HIS A 84 12.219 27.911 18.967 1.00 13.43 H new ATOM 0 HE2 HIS A 84 10.689 27.354 20.926 1.00 52.34 H new ATOM 1308 N SER A 85 10.728 22.689 21.706 1.00 35.01 N ATOM 1309 CA SER A 85 9.914 22.470 22.896 1.00 15.41 C ATOM 1310 C SER A 85 9.549 20.996 23.042 1.00 41.13 C ATOM 1311 O SER A 85 9.045 20.375 22.106 1.00 21.50 O ATOM 1312 CB SER A 85 8.641 23.318 22.832 1.00 5.04 C ATOM 1313 OG SER A 85 8.297 23.818 24.113 1.00 72.51 O ATOM 0 H SER A 85 10.269 23.233 20.975 1.00 35.01 H new ATOM 0 HA SER A 85 10.499 22.769 23.766 1.00 15.41 H new ATOM 0 HB2 SER A 85 8.788 24.148 22.141 1.00 5.04 H new ATOM 0 HB3 SER A 85 7.820 22.718 22.440 1.00 5.04 H new ATOM 0 HG SER A 85 8.339 24.797 24.104 1.00 72.51 H new ATOM 1319 N ASP A 86 9.808 20.443 24.221 1.00 12.15 N ATOM 1320 CA ASP A 86 9.507 19.042 24.492 1.00 53.13 C ATOM 1321 C ASP A 86 10.327 18.126 23.588 1.00 15.05 C ATOM 1322 O ASP A 86 9.987 16.957 23.399 1.00 54.44 O ATOM 1323 CB ASP A 86 8.014 18.772 24.294 1.00 64.42 C ATOM 1324 CG ASP A 86 7.538 17.559 25.070 1.00 52.54 C ATOM 1325 OD1 ASP A 86 8.385 16.717 25.433 1.00 32.51 O ATOM 1326 OD2 ASP A 86 6.318 17.454 25.314 1.00 11.21 O ATOM 0 H ASP A 86 10.226 20.944 25.005 1.00 12.15 H new ATOM 0 HA ASP A 86 9.772 18.832 25.528 1.00 53.13 H new ATOM 0 HB2 ASP A 86 7.445 19.647 24.608 1.00 64.42 H new ATOM 0 HB3 ASP A 86 7.812 18.624 23.233 1.00 64.42 H new ATOM 1331 N LEU A 87 11.407 18.664 23.033 1.00 33.11 N ATOM 1332 CA LEU A 87 12.275 17.895 22.148 1.00 3.32 C ATOM 1333 C LEU A 87 12.850 16.681 22.870 1.00 61.42 C ATOM 1334 O LEU A 87 13.282 15.717 22.237 1.00 45.22 O ATOM 1335 CB LEU A 87 13.411 18.776 21.625 1.00 40.33 C ATOM 1336 CG LEU A 87 14.594 18.042 20.993 1.00 31.50 C ATOM 1337 CD1 LEU A 87 14.153 17.294 19.745 1.00 74.54 C ATOM 1338 CD2 LEU A 87 15.714 19.018 20.664 1.00 20.41 C ATOM 0 H LEU A 87 11.703 19.629 23.180 1.00 33.11 H new ATOM 0 HA LEU A 87 11.677 17.545 21.307 1.00 3.32 H new ATOM 0 HB2 LEU A 87 13.000 19.464 20.886 1.00 40.33 H new ATOM 0 HB3 LEU A 87 13.784 19.381 22.451 1.00 40.33 H new ATOM 0 HG LEU A 87 14.972 17.316 21.713 1.00 31.50 H new ATOM 0 HD11 LEU A 87 15.008 16.778 19.309 1.00 74.54 H new ATOM 0 HD12 LEU A 87 13.386 16.566 20.009 1.00 74.54 H new ATOM 0 HD13 LEU A 87 13.748 18.001 19.021 1.00 74.54 H new ATOM 0 HD21 LEU A 87 16.547 18.478 20.215 1.00 20.41 H new ATOM 0 HD22 LEU A 87 15.348 19.768 19.963 1.00 20.41 H new ATOM 0 HD23 LEU A 87 16.050 19.508 21.578 1.00 20.41 H new ATOM 1350 N ASP A 88 12.850 16.733 24.197 1.00 35.42 N ATOM 1351 CA ASP A 88 13.368 15.635 25.006 1.00 52.14 C ATOM 1352 C ASP A 88 12.666 14.326 24.658 1.00 65.31 C ATOM 1353 O ASP A 88 13.242 13.247 24.794 1.00 22.31 O ATOM 1354 CB ASP A 88 13.193 15.942 26.494 1.00 54.54 C ATOM 1355 CG ASP A 88 14.348 16.745 27.059 1.00 52.21 C ATOM 1356 OD1 ASP A 88 15.355 16.129 27.466 1.00 14.32 O ATOM 1357 OD2 ASP A 88 14.245 17.990 27.095 1.00 73.52 O ATOM 0 H ASP A 88 12.497 17.524 24.736 1.00 35.42 H new ATOM 0 HA ASP A 88 14.431 15.526 24.788 1.00 52.14 H new ATOM 0 HB2 ASP A 88 12.264 16.493 26.641 1.00 54.54 H new ATOM 0 HB3 ASP A 88 13.100 15.007 27.046 1.00 54.54 H new ATOM 1362 N ALA A 89 11.420 14.429 24.209 1.00 13.15 N ATOM 1363 CA ALA A 89 10.640 13.254 23.842 1.00 62.34 C ATOM 1364 C ALA A 89 11.205 12.590 22.590 1.00 53.42 C ATOM 1365 O ALA A 89 10.968 11.409 22.342 1.00 71.43 O ATOM 1366 CB ALA A 89 9.182 13.633 23.629 1.00 62.34 C ATOM 0 H ALA A 89 10.929 15.315 24.091 1.00 13.15 H new ATOM 0 HA ALA A 89 10.701 12.537 24.661 1.00 62.34 H new ATOM 0 HB1 ALA A 89 8.612 12.745 23.355 1.00 62.34 H new ATOM 0 HB2 ALA A 89 8.778 14.055 24.549 1.00 62.34 H new ATOM 0 HB3 ALA A 89 9.111 14.371 22.830 1.00 62.34 H new ATOM 1372 N ALA A 90 11.951 13.359 21.804 1.00 5.20 N ATOM 1373 CA ALA A 90 12.550 12.845 20.579 1.00 45.34 C ATOM 1374 C ALA A 90 13.398 11.609 20.858 1.00 20.24 C ATOM 1375 O ALA A 90 13.522 10.724 20.011 1.00 2.14 O ATOM 1376 CB ALA A 90 13.391 13.923 19.909 1.00 14.05 C ATOM 0 H ALA A 90 12.155 14.340 21.994 1.00 5.20 H new ATOM 0 HA ALA A 90 11.744 12.556 19.905 1.00 45.34 H new ATOM 0 HB1 ALA A 90 13.832 13.525 18.995 1.00 14.05 H new ATOM 0 HB2 ALA A 90 12.760 14.777 19.665 1.00 14.05 H new ATOM 0 HB3 ALA A 90 14.184 14.240 20.587 1.00 14.05 H new ATOM 1382 N VAL A 91 13.981 11.554 22.052 1.00 15.00 N ATOM 1383 CA VAL A 91 14.816 10.425 22.444 1.00 45.54 C ATOM 1384 C VAL A 91 13.970 9.267 22.959 1.00 73.04 C ATOM 1385 O VAL A 91 14.055 8.149 22.451 1.00 30.31 O ATOM 1386 CB VAL A 91 15.830 10.829 23.531 1.00 65.34 C ATOM 1387 CG1 VAL A 91 16.829 9.707 23.772 1.00 33.34 C ATOM 1388 CG2 VAL A 91 16.545 12.114 23.142 1.00 53.32 C ATOM 0 H VAL A 91 13.890 12.278 22.764 1.00 15.00 H new ATOM 0 HA VAL A 91 15.356 10.107 21.553 1.00 45.54 H new ATOM 0 HB VAL A 91 15.288 11.008 24.460 1.00 65.34 H new ATOM 0 HG11 VAL A 91 17.538 10.010 24.543 1.00 33.34 H new ATOM 0 HG12 VAL A 91 16.299 8.812 24.098 1.00 33.34 H new ATOM 0 HG13 VAL A 91 17.367 9.494 22.848 1.00 33.34 H new ATOM 0 HG21 VAL A 91 17.257 12.384 23.921 1.00 53.32 H new ATOM 0 HG22 VAL A 91 17.075 11.965 22.201 1.00 53.32 H new ATOM 0 HG23 VAL A 91 15.815 12.915 23.024 1.00 53.32 H new ATOM 1398 N SER A 92 13.152 9.542 23.970 1.00 50.54 N ATOM 1399 CA SER A 92 12.291 8.522 24.556 1.00 1.22 C ATOM 1400 C SER A 92 11.471 7.818 23.479 1.00 10.53 C ATOM 1401 O SER A 92 11.274 6.605 23.528 1.00 71.33 O ATOM 1402 CB SER A 92 11.359 9.147 25.596 1.00 40.41 C ATOM 1403 OG SER A 92 12.054 10.076 26.411 1.00 75.23 O ATOM 0 H SER A 92 13.068 10.463 24.400 1.00 50.54 H new ATOM 0 HA SER A 92 12.926 7.783 25.045 1.00 1.22 H new ATOM 0 HB2 SER A 92 10.531 9.647 25.093 1.00 40.41 H new ATOM 0 HB3 SER A 92 10.927 8.364 26.219 1.00 40.41 H new ATOM 0 HG SER A 92 11.436 10.463 27.066 1.00 75.23 H new ATOM 1409 N ALA A 93 10.995 8.591 22.508 1.00 63.53 N ATOM 1410 CA ALA A 93 10.198 8.042 21.417 1.00 3.43 C ATOM 1411 C ALA A 93 10.906 6.862 20.760 1.00 53.33 C ATOM 1412 O ALA A 93 10.322 5.791 20.592 1.00 2.14 O ATOM 1413 CB ALA A 93 9.900 9.122 20.387 1.00 34.25 C ATOM 0 H ALA A 93 11.147 9.598 22.454 1.00 63.53 H new ATOM 0 HA ALA A 93 9.257 7.681 21.832 1.00 3.43 H new ATOM 0 HB1 ALA A 93 9.304 8.699 19.578 1.00 34.25 H new ATOM 0 HB2 ALA A 93 9.346 9.933 20.860 1.00 34.25 H new ATOM 0 HB3 ALA A 93 10.836 9.509 19.984 1.00 34.25 H new ATOM 1419 N TYR A 94 12.165 7.066 20.388 1.00 74.20 N ATOM 1420 CA TYR A 94 12.950 6.019 19.745 1.00 4.24 C ATOM 1421 C TYR A 94 12.930 4.737 20.572 1.00 11.22 C ATOM 1422 O TYR A 94 12.710 3.648 20.042 1.00 11.45 O ATOM 1423 CB TYR A 94 14.393 6.486 19.544 1.00 10.30 C ATOM 1424 CG TYR A 94 14.554 7.488 18.423 1.00 63.55 C ATOM 1425 CD1 TYR A 94 13.971 7.268 17.180 1.00 3.54 C ATOM 1426 CD2 TYR A 94 15.290 8.652 18.604 1.00 23.24 C ATOM 1427 CE1 TYR A 94 14.116 8.180 16.152 1.00 24.05 C ATOM 1428 CE2 TYR A 94 15.439 9.569 17.583 1.00 45.52 C ATOM 1429 CZ TYR A 94 14.851 9.329 16.359 1.00 51.13 C ATOM 1430 OH TYR A 94 14.998 10.240 15.338 1.00 44.10 O ATOM 0 H TYR A 94 12.663 7.946 20.521 1.00 74.20 H new ATOM 0 HA TYR A 94 12.503 5.810 18.773 1.00 4.24 H new ATOM 0 HB2 TYR A 94 14.755 6.930 20.471 1.00 10.30 H new ATOM 0 HB3 TYR A 94 15.021 5.619 19.339 1.00 10.30 H new ATOM 0 HD1 TYR A 94 13.395 6.369 17.015 1.00 3.54 H new ATOM 0 HD2 TYR A 94 15.754 8.843 19.560 1.00 23.24 H new ATOM 0 HE1 TYR A 94 13.657 7.994 15.192 1.00 24.05 H new ATOM 0 HE2 TYR A 94 16.013 10.470 17.742 1.00 45.52 H new ATOM 0 HH TYR A 94 15.543 10.993 15.648 1.00 44.10 H new ATOM 1440 N GLN A 95 13.160 4.877 21.874 1.00 63.53 N ATOM 1441 CA GLN A 95 13.168 3.730 22.775 1.00 44.04 C ATOM 1442 C GLN A 95 11.764 3.158 22.941 1.00 43.15 C ATOM 1443 O GLN A 95 11.598 1.978 23.248 1.00 53.13 O ATOM 1444 CB GLN A 95 13.733 4.130 24.139 1.00 43.44 C ATOM 1445 CG GLN A 95 15.189 4.566 24.090 1.00 11.21 C ATOM 1446 CD GLN A 95 15.685 5.093 25.422 1.00 30.02 C ATOM 1447 OE1 GLN A 95 14.989 5.007 26.435 1.00 44.43 O ATOM 1448 NE2 GLN A 95 16.894 5.642 25.429 1.00 40.12 N ATOM 0 H GLN A 95 13.343 5.772 22.328 1.00 63.53 H new ATOM 0 HA GLN A 95 13.804 2.961 22.337 1.00 44.04 H new ATOM 0 HB2 GLN A 95 13.132 4.943 24.548 1.00 43.44 H new ATOM 0 HB3 GLN A 95 13.637 3.287 24.824 1.00 43.44 H new ATOM 0 HG2 GLN A 95 15.807 3.722 23.785 1.00 11.21 H new ATOM 0 HG3 GLN A 95 15.308 5.339 23.331 1.00 11.21 H new ATOM 0 HE21 GLN A 95 17.436 5.692 24.567 1.00 40.12 H new ATOM 0 HE22 GLN A 95 17.280 6.013 26.297 1.00 40.12 H new ATOM 1457 N GLN A 96 10.759 4.003 22.736 1.00 73.45 N ATOM 1458 CA GLN A 96 9.369 3.580 22.864 1.00 50.32 C ATOM 1459 C GLN A 96 8.884 2.907 21.584 1.00 24.32 C ATOM 1460 O GLN A 96 7.884 2.191 21.588 1.00 13.10 O ATOM 1461 CB GLN A 96 8.478 4.779 23.192 1.00 13.40 C ATOM 1462 CG GLN A 96 7.847 4.709 24.574 1.00 64.25 C ATOM 1463 CD GLN A 96 6.981 5.914 24.882 1.00 72.22 C ATOM 1464 OE1 GLN A 96 5.783 5.783 25.136 1.00 21.13 O ATOM 1465 NE2 GLN A 96 7.583 7.097 24.861 1.00 52.21 N ATOM 0 H GLN A 96 10.881 4.983 22.481 1.00 73.45 H new ATOM 0 HA GLN A 96 9.309 2.857 23.678 1.00 50.32 H new ATOM 0 HB2 GLN A 96 9.069 5.692 23.118 1.00 13.40 H new ATOM 0 HB3 GLN A 96 7.688 4.849 22.444 1.00 13.40 H new ATOM 0 HG2 GLN A 96 7.244 3.804 24.648 1.00 64.25 H new ATOM 0 HG3 GLN A 96 8.633 4.630 25.325 1.00 64.25 H new ATOM 0 HE21 GLN A 96 8.578 7.159 24.646 1.00 52.21 H new ATOM 0 HE22 GLN A 96 7.050 7.944 25.060 1.00 52.21 H new ATOM 1474 N GLY A 97 9.602 3.141 20.489 1.00 14.33 N ATOM 1475 CA GLY A 97 9.229 2.550 19.217 1.00 14.44 C ATOM 1476 C GLY A 97 8.868 3.593 18.178 1.00 72.55 C ATOM 1477 O GLY A 97 7.942 3.399 17.390 1.00 20.23 O ATOM 0 H GLY A 97 10.435 3.729 20.460 1.00 14.33 H new ATOM 0 HA2 GLY A 97 10.054 1.942 18.846 1.00 14.44 H new ATOM 0 HA3 GLY A 97 8.382 1.881 19.365 1.00 14.44 H new ATOM 1481 N ALA A 98 9.600 4.702 18.175 1.00 34.11 N ATOM 1482 CA ALA A 98 9.352 5.778 17.224 1.00 12.42 C ATOM 1483 C ALA A 98 9.898 5.428 15.844 1.00 1.42 C ATOM 1484 O ALA A 98 10.726 4.528 15.703 1.00 2.23 O ATOM 1485 CB ALA A 98 9.968 7.077 17.724 1.00 21.42 C ATOM 0 H ALA A 98 10.370 4.879 18.821 1.00 34.11 H new ATOM 0 HA ALA A 98 8.274 5.910 17.136 1.00 12.42 H new ATOM 0 HB1 ALA A 98 9.775 7.872 17.004 1.00 21.42 H new ATOM 0 HB2 ALA A 98 9.527 7.343 18.685 1.00 21.42 H new ATOM 0 HB3 ALA A 98 11.044 6.948 17.842 1.00 21.42 H new ATOM 1491 N PHE A 99 9.429 6.145 14.828 1.00 21.10 N ATOM 1492 CA PHE A 99 9.870 5.908 13.458 1.00 14.51 C ATOM 1493 C PHE A 99 10.898 6.952 13.030 1.00 75.33 C ATOM 1494 O PHE A 99 11.972 6.613 12.534 1.00 23.21 O ATOM 1495 CB PHE A 99 8.674 5.933 12.504 1.00 72.50 C ATOM 1496 CG PHE A 99 8.973 5.350 11.153 1.00 64.55 C ATOM 1497 CD1 PHE A 99 8.883 3.984 10.937 1.00 73.11 C ATOM 1498 CD2 PHE A 99 9.346 6.167 10.098 1.00 42.21 C ATOM 1499 CE1 PHE A 99 9.157 3.444 9.694 1.00 4.24 C ATOM 1500 CE2 PHE A 99 9.622 5.633 8.853 1.00 14.32 C ATOM 1501 CZ PHE A 99 9.528 4.270 8.652 1.00 43.15 C ATOM 0 H PHE A 99 8.744 6.894 14.927 1.00 21.10 H new ATOM 0 HA PHE A 99 10.338 4.924 13.418 1.00 14.51 H new ATOM 0 HB2 PHE A 99 7.849 5.382 12.954 1.00 72.50 H new ATOM 0 HB3 PHE A 99 8.339 6.963 12.380 1.00 72.50 H new ATOM 0 HD1 PHE A 99 8.595 3.333 11.750 1.00 73.11 H new ATOM 0 HD2 PHE A 99 9.422 7.234 10.250 1.00 42.21 H new ATOM 0 HE1 PHE A 99 9.081 2.378 9.539 1.00 4.24 H new ATOM 0 HE2 PHE A 99 9.911 6.281 8.039 1.00 14.32 H new ATOM 0 HZ PHE A 99 9.745 3.851 7.681 1.00 43.15 H new ATOM 1511 N ASP A 100 10.559 8.221 13.224 1.00 11.41 N ATOM 1512 CA ASP A 100 11.451 9.315 12.859 1.00 45.32 C ATOM 1513 C ASP A 100 10.943 10.641 13.416 1.00 54.11 C ATOM 1514 O ASP A 100 9.873 10.701 14.023 1.00 1.31 O ATOM 1515 CB ASP A 100 11.587 9.405 11.338 1.00 53.31 C ATOM 1516 CG ASP A 100 13.017 9.220 10.872 1.00 64.30 C ATOM 1517 OD1 ASP A 100 13.765 10.220 10.837 1.00 72.11 O ATOM 1518 OD2 ASP A 100 13.390 8.074 10.543 1.00 10.32 O ATOM 0 H ASP A 100 9.673 8.518 13.632 1.00 11.41 H new ATOM 0 HA ASP A 100 12.430 9.112 13.292 1.00 45.32 H new ATOM 0 HB2 ASP A 100 10.956 8.647 10.874 1.00 53.31 H new ATOM 0 HB3 ASP A 100 11.221 10.374 11.000 1.00 53.31 H new ATOM 1523 N TYR A 101 11.716 11.701 13.206 1.00 32.43 N ATOM 1524 CA TYR A 101 11.345 13.025 13.691 1.00 42.03 C ATOM 1525 C TYR A 101 11.218 14.012 12.534 1.00 35.03 C ATOM 1526 O TYR A 101 12.213 14.405 11.925 1.00 3.41 O ATOM 1527 CB TYR A 101 12.381 13.532 14.696 1.00 34.41 C ATOM 1528 CG TYR A 101 11.965 14.800 15.406 1.00 42.31 C ATOM 1529 CD1 TYR A 101 10.740 14.888 16.054 1.00 35.12 C ATOM 1530 CD2 TYR A 101 12.799 15.911 15.429 1.00 43.50 C ATOM 1531 CE1 TYR A 101 10.356 16.045 16.703 1.00 12.41 C ATOM 1532 CE2 TYR A 101 12.424 17.073 16.077 1.00 65.32 C ATOM 1533 CZ TYR A 101 11.202 17.135 16.712 1.00 73.11 C ATOM 1534 OH TYR A 101 10.824 18.289 17.358 1.00 13.34 O ATOM 0 H TYR A 101 12.603 11.669 12.703 1.00 32.43 H new ATOM 0 HA TYR A 101 10.377 12.945 14.186 1.00 42.03 H new ATOM 0 HB2 TYR A 101 12.567 12.755 15.437 1.00 34.41 H new ATOM 0 HB3 TYR A 101 13.323 13.709 14.177 1.00 34.41 H new ATOM 0 HD1 TYR A 101 10.076 14.036 16.050 1.00 35.12 H new ATOM 0 HD2 TYR A 101 13.757 15.866 14.932 1.00 43.50 H new ATOM 0 HE1 TYR A 101 9.399 16.096 17.201 1.00 12.41 H new ATOM 0 HE2 TYR A 101 13.085 17.927 16.086 1.00 65.32 H new ATOM 0 HH TYR A 101 10.687 19.002 16.700 1.00 13.34 H new ATOM 1544 N LEU A 102 9.985 14.409 12.237 1.00 21.14 N ATOM 1545 CA LEU A 102 9.725 15.351 11.154 1.00 14.05 C ATOM 1546 C LEU A 102 9.206 16.678 11.700 1.00 65.10 C ATOM 1547 O LEU A 102 8.015 16.982 11.634 1.00 62.34 O ATOM 1548 CB LEU A 102 8.713 14.761 10.171 1.00 74.21 C ATOM 1549 CG LEU A 102 8.611 15.458 8.814 1.00 60.54 C ATOM 1550 CD1 LEU A 102 9.956 15.441 8.103 1.00 35.10 C ATOM 1551 CD2 LEU A 102 7.543 14.797 7.954 1.00 41.22 C ATOM 0 H LEU A 102 9.150 14.093 12.731 1.00 21.14 H new ATOM 0 HA LEU A 102 10.664 15.536 10.632 1.00 14.05 H new ATOM 0 HB2 LEU A 102 8.969 13.715 10.001 1.00 74.21 H new ATOM 0 HB3 LEU A 102 7.729 14.777 10.640 1.00 74.21 H new ATOM 0 HG LEU A 102 8.324 16.496 8.981 1.00 60.54 H new ATOM 0 HD11 LEU A 102 9.864 15.941 7.139 1.00 35.10 H new ATOM 0 HD12 LEU A 102 10.696 15.960 8.712 1.00 35.10 H new ATOM 0 HD13 LEU A 102 10.272 14.410 7.948 1.00 35.10 H new ATOM 0 HD21 LEU A 102 7.484 15.306 6.992 1.00 41.22 H new ATOM 0 HD22 LEU A 102 7.800 13.750 7.795 1.00 41.22 H new ATOM 0 HD23 LEU A 102 6.579 14.861 8.458 1.00 41.22 H new ATOM 1563 N PRO A 103 10.121 17.489 12.251 1.00 45.32 N ATOM 1564 CA PRO A 103 9.781 18.798 12.816 1.00 52.42 C ATOM 1565 C PRO A 103 9.388 19.808 11.743 1.00 11.31 C ATOM 1566 O PRO A 103 9.887 19.761 10.618 1.00 14.14 O ATOM 1567 CB PRO A 103 11.074 19.232 13.511 1.00 50.24 C ATOM 1568 CG PRO A 103 12.155 18.506 12.787 1.00 32.10 C ATOM 1569 CD PRO A 103 11.559 17.192 12.364 1.00 62.41 C ATOM 0 HA PRO A 103 8.921 18.743 13.483 1.00 52.42 H new ATOM 0 HB2 PRO A 103 11.213 20.311 13.451 1.00 50.24 H new ATOM 0 HB3 PRO A 103 11.062 18.971 14.569 1.00 50.24 H new ATOM 0 HG2 PRO A 103 12.497 19.076 11.923 1.00 32.10 H new ATOM 0 HG3 PRO A 103 13.021 18.353 13.431 1.00 32.10 H new ATOM 0 HD2 PRO A 103 11.974 16.849 11.416 1.00 62.41 H new ATOM 0 HD3 PRO A 103 11.751 16.409 13.098 1.00 62.41 H new ATOM 1577 N LYS A 104 8.491 20.722 12.098 1.00 50.33 N ATOM 1578 CA LYS A 104 8.032 21.746 11.166 1.00 34.24 C ATOM 1579 C LYS A 104 8.752 23.068 11.412 1.00 62.42 C ATOM 1580 O LYS A 104 9.237 23.343 12.509 1.00 1.43 O ATOM 1581 CB LYS A 104 6.520 21.944 11.300 1.00 40.34 C ATOM 1582 CG LYS A 104 6.055 22.129 12.734 1.00 71.43 C ATOM 1583 CD LYS A 104 5.236 20.941 13.212 1.00 64.15 C ATOM 1584 CE LYS A 104 4.089 21.379 14.108 1.00 55.41 C ATOM 1585 NZ LYS A 104 4.576 22.035 15.353 1.00 63.01 N ATOM 0 H LYS A 104 8.067 20.775 13.024 1.00 50.33 H new ATOM 0 HA LYS A 104 8.261 21.411 10.154 1.00 34.24 H new ATOM 0 HB2 LYS A 104 6.223 22.815 10.716 1.00 40.34 H new ATOM 0 HB3 LYS A 104 6.010 21.082 10.870 1.00 40.34 H new ATOM 0 HG2 LYS A 104 6.920 22.261 13.384 1.00 71.43 H new ATOM 0 HG3 LYS A 104 5.458 23.038 12.810 1.00 71.43 H new ATOM 0 HD2 LYS A 104 4.841 20.400 12.352 1.00 64.15 H new ATOM 0 HD3 LYS A 104 5.880 20.249 13.755 1.00 64.15 H new ATOM 0 HE2 LYS A 104 3.445 22.069 13.562 1.00 55.41 H new ATOM 0 HE3 LYS A 104 3.480 20.513 14.368 1.00 55.41 H new ATOM 0 HZ1 LYS A 104 3.924 21.824 16.135 1.00 63.01 H new ATOM 0 HZ2 LYS A 104 5.524 21.676 15.586 1.00 63.01 H new ATOM 0 HZ3 LYS A 104 4.621 23.064 15.208 1.00 63.01 H new ATOM 1599 N PRO A 105 8.824 23.906 10.368 1.00 51.35 N ATOM 1600 CA PRO A 105 8.251 23.589 9.056 1.00 32.42 C ATOM 1601 C PRO A 105 9.016 22.479 8.343 1.00 75.12 C ATOM 1602 O PRO A 105 10.247 22.457 8.348 1.00 15.01 O ATOM 1603 CB PRO A 105 8.376 24.905 8.286 1.00 45.33 C ATOM 1604 CG PRO A 105 9.514 25.616 8.934 1.00 53.50 C ATOM 1605 CD PRO A 105 9.470 25.229 10.386 1.00 5.23 C ATOM 0 HA PRO A 105 7.227 23.223 9.136 1.00 32.42 H new ATOM 0 HB2 PRO A 105 8.571 24.728 7.228 1.00 45.33 H new ATOM 0 HB3 PRO A 105 7.458 25.489 8.348 1.00 45.33 H new ATOM 0 HG2 PRO A 105 10.463 25.328 8.482 1.00 53.50 H new ATOM 0 HG3 PRO A 105 9.419 26.695 8.815 1.00 53.50 H new ATOM 0 HD2 PRO A 105 10.469 25.182 10.820 1.00 5.23 H new ATOM 0 HD3 PRO A 105 8.900 25.947 10.976 1.00 5.23 H new ATOM 1613 N PHE A 106 8.279 21.559 7.729 1.00 33.11 N ATOM 1614 CA PHE A 106 8.888 20.445 7.011 1.00 1.33 C ATOM 1615 C PHE A 106 8.437 20.426 5.554 1.00 62.13 C ATOM 1616 O PHE A 106 7.414 21.013 5.201 1.00 33.45 O ATOM 1617 CB PHE A 106 8.530 19.119 7.685 1.00 11.34 C ATOM 1618 CG PHE A 106 7.112 18.688 7.444 1.00 72.34 C ATOM 1619 CD1 PHE A 106 6.785 17.926 6.333 1.00 41.41 C ATOM 1620 CD2 PHE A 106 6.105 19.044 8.327 1.00 62.33 C ATOM 1621 CE1 PHE A 106 5.481 17.527 6.108 1.00 41.24 C ATOM 1622 CE2 PHE A 106 4.800 18.647 8.107 1.00 54.22 C ATOM 1623 CZ PHE A 106 4.487 17.889 6.995 1.00 11.13 C ATOM 0 H PHE A 106 7.259 21.563 7.714 1.00 33.11 H new ATOM 0 HA PHE A 106 9.970 20.577 7.037 1.00 1.33 H new ATOM 0 HB2 PHE A 106 9.204 18.343 7.322 1.00 11.34 H new ATOM 0 HB3 PHE A 106 8.696 19.210 8.758 1.00 11.34 H new ATOM 0 HD1 PHE A 106 7.558 17.641 5.635 1.00 41.41 H new ATOM 0 HD2 PHE A 106 6.343 19.638 9.197 1.00 62.33 H new ATOM 0 HE1 PHE A 106 5.240 16.933 5.239 1.00 41.24 H new ATOM 0 HE2 PHE A 106 4.025 18.929 8.804 1.00 54.22 H new ATOM 0 HZ PHE A 106 3.467 17.580 6.820 1.00 11.13 H new ATOM 1633 N ASP A 107 9.209 19.748 4.711 1.00 13.12 N ATOM 1634 CA ASP A 107 8.890 19.651 3.292 1.00 54.05 C ATOM 1635 C ASP A 107 8.011 18.435 3.014 1.00 52.41 C ATOM 1636 O ASP A 107 8.461 17.294 3.123 1.00 14.32 O ATOM 1637 CB ASP A 107 10.173 19.568 2.463 1.00 14.21 C ATOM 1638 CG ASP A 107 11.139 20.694 2.778 1.00 75.45 C ATOM 1639 OD1 ASP A 107 10.830 21.853 2.433 1.00 13.43 O ATOM 1640 OD2 ASP A 107 12.204 20.414 3.367 1.00 13.51 O ATOM 0 H ASP A 107 10.060 19.258 4.986 1.00 13.12 H new ATOM 0 HA ASP A 107 8.340 20.548 3.007 1.00 54.05 H new ATOM 0 HB2 ASP A 107 10.661 18.611 2.649 1.00 14.21 H new ATOM 0 HB3 ASP A 107 9.920 19.596 1.403 1.00 14.21 H new ATOM 1645 N ILE A 108 6.756 18.688 2.656 1.00 64.02 N ATOM 1646 CA ILE A 108 5.815 17.614 2.363 1.00 42.21 C ATOM 1647 C ILE A 108 6.397 16.634 1.350 1.00 41.21 C ATOM 1648 O ILE A 108 6.025 15.461 1.321 1.00 22.15 O ATOM 1649 CB ILE A 108 4.483 18.165 1.820 1.00 4.54 C ATOM 1650 CG1 ILE A 108 4.671 18.710 0.403 1.00 62.32 C ATOM 1651 CG2 ILE A 108 3.944 19.249 2.742 1.00 33.23 C ATOM 1652 CD1 ILE A 108 5.511 19.967 0.344 1.00 35.24 C ATOM 0 H ILE A 108 6.368 19.627 2.562 1.00 64.02 H new ATOM 0 HA ILE A 108 5.628 17.094 3.302 1.00 42.21 H new ATOM 0 HB ILE A 108 3.758 17.352 1.783 1.00 4.54 H new ATOM 0 HG12 ILE A 108 5.138 17.942 -0.214 1.00 62.32 H new ATOM 0 HG13 ILE A 108 3.693 18.916 -0.031 1.00 62.32 H new ATOM 0 HG21 ILE A 108 3.002 19.629 2.345 1.00 33.23 H new ATOM 0 HG22 ILE A 108 3.778 18.832 3.735 1.00 33.23 H new ATOM 0 HG23 ILE A 108 4.665 20.064 2.807 1.00 33.23 H new ATOM 0 HD11 ILE A 108 5.602 20.296 -0.691 1.00 35.24 H new ATOM 0 HD12 ILE A 108 5.035 20.751 0.933 1.00 35.24 H new ATOM 0 HD13 ILE A 108 6.502 19.761 0.747 1.00 35.24 H new ATOM 1664 N ASP A 109 7.313 17.123 0.521 1.00 21.12 N ATOM 1665 CA ASP A 109 7.950 16.290 -0.492 1.00 73.43 C ATOM 1666 C ASP A 109 8.655 15.098 0.148 1.00 14.03 C ATOM 1667 O ASP A 109 8.655 13.997 -0.401 1.00 44.12 O ATOM 1668 CB ASP A 109 8.950 17.113 -1.305 1.00 72.14 C ATOM 1669 CG ASP A 109 8.271 18.010 -2.321 1.00 54.32 C ATOM 1670 OD1 ASP A 109 7.388 18.798 -1.921 1.00 24.35 O ATOM 1671 OD2 ASP A 109 8.621 17.924 -3.517 1.00 53.42 O ATOM 0 H ASP A 109 7.631 18.092 0.531 1.00 21.12 H new ATOM 0 HA ASP A 109 7.173 15.915 -1.158 1.00 73.43 H new ATOM 0 HB2 ASP A 109 9.549 17.723 -0.629 1.00 72.14 H new ATOM 0 HB3 ASP A 109 9.636 16.440 -1.820 1.00 72.14 H new ATOM 1676 N GLU A 110 9.254 15.327 1.313 1.00 51.34 N ATOM 1677 CA GLU A 110 9.964 14.272 2.026 1.00 10.32 C ATOM 1678 C GLU A 110 9.010 13.480 2.916 1.00 42.12 C ATOM 1679 O GLU A 110 9.284 12.334 3.272 1.00 51.33 O ATOM 1680 CB GLU A 110 11.092 14.868 2.872 1.00 74.21 C ATOM 1681 CG GLU A 110 12.382 14.067 2.816 1.00 10.50 C ATOM 1682 CD GLU A 110 13.122 14.245 1.504 1.00 21.44 C ATOM 1683 OE1 GLU A 110 12.506 14.019 0.441 1.00 3.34 O ATOM 1684 OE2 GLU A 110 14.316 14.608 1.541 1.00 41.13 O ATOM 0 H GLU A 110 9.262 16.233 1.782 1.00 51.34 H new ATOM 0 HA GLU A 110 10.392 13.594 1.288 1.00 10.32 H new ATOM 0 HB2 GLU A 110 11.290 15.885 2.533 1.00 74.21 H new ATOM 0 HB3 GLU A 110 10.761 14.936 3.908 1.00 74.21 H new ATOM 0 HG2 GLU A 110 13.030 14.370 3.638 1.00 10.50 H new ATOM 0 HG3 GLU A 110 12.156 13.011 2.961 1.00 10.50 H new ATOM 1691 N ALA A 111 7.890 14.100 3.272 1.00 52.14 N ATOM 1692 CA ALA A 111 6.895 13.454 4.118 1.00 73.41 C ATOM 1693 C ALA A 111 6.070 12.446 3.324 1.00 12.21 C ATOM 1694 O ALA A 111 5.818 11.333 3.786 1.00 4.10 O ATOM 1695 CB ALA A 111 5.988 14.495 4.756 1.00 14.20 C ATOM 0 H ALA A 111 7.649 15.049 2.987 1.00 52.14 H new ATOM 0 HA ALA A 111 7.420 12.914 4.906 1.00 73.41 H new ATOM 0 HB1 ALA A 111 5.250 13.998 5.385 1.00 14.20 H new ATOM 0 HB2 ALA A 111 6.585 15.174 5.365 1.00 14.20 H new ATOM 0 HB3 ALA A 111 5.478 15.060 3.976 1.00 14.20 H new ATOM 1701 N VAL A 112 5.650 12.844 2.127 1.00 24.01 N ATOM 1702 CA VAL A 112 4.854 11.975 1.269 1.00 52.44 C ATOM 1703 C VAL A 112 5.503 10.604 1.120 1.00 1.13 C ATOM 1704 O VAL A 112 4.818 9.583 1.077 1.00 73.01 O ATOM 1705 CB VAL A 112 4.659 12.593 -0.129 1.00 3.01 C ATOM 1706 CG1 VAL A 112 3.906 11.633 -1.037 1.00 11.10 C ATOM 1707 CG2 VAL A 112 3.931 13.925 -0.026 1.00 22.32 C ATOM 0 H VAL A 112 5.848 13.762 1.730 1.00 24.01 H new ATOM 0 HA VAL A 112 3.881 11.863 1.748 1.00 52.44 H new ATOM 0 HB VAL A 112 5.640 12.775 -0.567 1.00 3.01 H new ATOM 0 HG11 VAL A 112 3.778 12.087 -2.020 1.00 11.10 H new ATOM 0 HG12 VAL A 112 4.472 10.707 -1.136 1.00 11.10 H new ATOM 0 HG13 VAL A 112 2.928 11.417 -0.607 1.00 11.10 H new ATOM 0 HG21 VAL A 112 3.802 14.347 -1.023 1.00 22.32 H new ATOM 0 HG22 VAL A 112 2.954 13.771 0.432 1.00 22.32 H new ATOM 0 HG23 VAL A 112 4.515 14.612 0.586 1.00 22.32 H new ATOM 1717 N ALA A 113 6.830 10.589 1.043 1.00 32.24 N ATOM 1718 CA ALA A 113 7.573 9.343 0.903 1.00 75.45 C ATOM 1719 C ALA A 113 7.802 8.684 2.259 1.00 73.24 C ATOM 1720 O ALA A 113 7.970 7.467 2.349 1.00 62.13 O ATOM 1721 CB ALA A 113 8.901 9.596 0.205 1.00 20.24 C ATOM 0 H ALA A 113 7.412 11.426 1.075 1.00 32.24 H new ATOM 0 HA ALA A 113 6.979 8.661 0.294 1.00 75.45 H new ATOM 0 HB1 ALA A 113 9.445 8.657 0.107 1.00 20.24 H new ATOM 0 HB2 ALA A 113 8.718 10.014 -0.785 1.00 20.24 H new ATOM 0 HB3 ALA A 113 9.492 10.299 0.792 1.00 20.24 H new ATOM 1727 N LEU A 114 7.808 9.494 3.311 1.00 13.22 N ATOM 1728 CA LEU A 114 8.017 8.990 4.664 1.00 61.31 C ATOM 1729 C LEU A 114 6.763 8.297 5.187 1.00 60.42 C ATOM 1730 O LEU A 114 6.842 7.385 6.010 1.00 24.30 O ATOM 1731 CB LEU A 114 8.410 10.133 5.601 1.00 52.42 C ATOM 1732 CG LEU A 114 8.365 9.821 7.097 1.00 52.11 C ATOM 1733 CD1 LEU A 114 9.552 8.960 7.498 1.00 4.24 C ATOM 1734 CD2 LEU A 114 8.337 11.107 7.910 1.00 50.33 C ATOM 0 H LEU A 114 7.671 10.503 3.254 1.00 13.22 H new ATOM 0 HA LEU A 114 8.826 8.261 4.632 1.00 61.31 H new ATOM 0 HB2 LEU A 114 9.421 10.453 5.347 1.00 52.42 H new ATOM 0 HB3 LEU A 114 7.750 10.978 5.407 1.00 52.42 H new ATOM 0 HG LEU A 114 7.451 9.264 7.305 1.00 52.11 H new ATOM 0 HD11 LEU A 114 9.503 8.748 8.566 1.00 4.24 H new ATOM 0 HD12 LEU A 114 9.527 8.024 6.941 1.00 4.24 H new ATOM 0 HD13 LEU A 114 10.478 9.490 7.275 1.00 4.24 H new ATOM 0 HD21 LEU A 114 8.305 10.865 8.972 1.00 50.33 H new ATOM 0 HD22 LEU A 114 9.232 11.691 7.698 1.00 50.33 H new ATOM 0 HD23 LEU A 114 7.454 11.687 7.643 1.00 50.33 H new ATOM 1746 N VAL A 115 5.605 8.734 4.702 1.00 43.14 N ATOM 1747 CA VAL A 115 4.334 8.154 5.117 1.00 20.22 C ATOM 1748 C VAL A 115 4.252 6.680 4.737 1.00 25.43 C ATOM 1749 O VAL A 115 3.827 5.846 5.536 1.00 73.12 O ATOM 1750 CB VAL A 115 3.143 8.901 4.488 1.00 4.41 C ATOM 1751 CG1 VAL A 115 1.833 8.222 4.853 1.00 34.52 C ATOM 1752 CG2 VAL A 115 3.138 10.358 4.926 1.00 50.20 C ATOM 0 H VAL A 115 5.521 9.488 4.021 1.00 43.14 H new ATOM 0 HA VAL A 115 4.282 8.251 6.201 1.00 20.22 H new ATOM 0 HB VAL A 115 3.249 8.871 3.404 1.00 4.41 H new ATOM 0 HG11 VAL A 115 1.003 8.764 4.399 1.00 34.52 H new ATOM 0 HG12 VAL A 115 1.840 7.196 4.485 1.00 34.52 H new ATOM 0 HG13 VAL A 115 1.715 8.218 5.937 1.00 34.52 H new ATOM 0 HG21 VAL A 115 2.290 10.871 4.473 1.00 50.20 H new ATOM 0 HG22 VAL A 115 3.056 10.411 6.012 1.00 50.20 H new ATOM 0 HG23 VAL A 115 4.064 10.837 4.608 1.00 50.20 H new ATOM 1762 N GLU A 116 4.664 6.366 3.513 1.00 62.02 N ATOM 1763 CA GLU A 116 4.637 4.991 3.027 1.00 1.32 C ATOM 1764 C GLU A 116 5.878 4.229 3.483 1.00 71.21 C ATOM 1765 O GLU A 116 5.892 2.998 3.500 1.00 74.25 O ATOM 1766 CB GLU A 116 4.543 4.968 1.500 1.00 10.12 C ATOM 1767 CG GLU A 116 5.608 5.805 0.812 1.00 65.31 C ATOM 1768 CD GLU A 116 6.200 5.113 -0.401 1.00 21.01 C ATOM 1769 OE1 GLU A 116 6.590 3.933 -0.278 1.00 64.14 O ATOM 1770 OE2 GLU A 116 6.273 5.751 -1.472 1.00 21.03 O ATOM 0 H GLU A 116 5.020 7.045 2.840 1.00 62.02 H new ATOM 0 HA GLU A 116 3.757 4.502 3.445 1.00 1.32 H new ATOM 0 HB2 GLU A 116 4.624 3.937 1.155 1.00 10.12 H new ATOM 0 HB3 GLU A 116 3.559 5.328 1.199 1.00 10.12 H new ATOM 0 HG2 GLU A 116 5.175 6.758 0.507 1.00 65.31 H new ATOM 0 HG3 GLU A 116 6.404 6.029 1.522 1.00 65.31 H new ATOM 1777 N ARG A 117 6.918 4.969 3.851 1.00 2.32 N ATOM 1778 CA ARG A 117 8.164 4.364 4.305 1.00 23.02 C ATOM 1779 C ARG A 117 7.893 3.256 5.319 1.00 51.12 C ATOM 1780 O ARG A 117 8.483 2.179 5.248 1.00 21.43 O ATOM 1781 CB ARG A 117 9.075 5.425 4.925 1.00 4.12 C ATOM 1782 CG ARG A 117 10.378 5.627 4.169 1.00 62.53 C ATOM 1783 CD ARG A 117 11.580 5.541 5.096 1.00 20.25 C ATOM 1784 NE ARG A 117 12.721 6.295 4.585 1.00 64.43 N ATOM 1785 CZ ARG A 117 13.523 5.851 3.623 1.00 4.11 C ATOM 1786 NH1 ARG A 117 13.310 4.665 3.072 1.00 74.54 N ATOM 1787 NH2 ARG A 117 14.542 6.595 3.211 1.00 53.41 N ATOM 0 H ARG A 117 6.923 5.989 3.844 1.00 2.32 H new ATOM 0 HA ARG A 117 8.663 3.927 3.440 1.00 23.02 H new ATOM 0 HB2 ARG A 117 8.538 6.373 4.967 1.00 4.12 H new ATOM 0 HB3 ARG A 117 9.301 5.141 5.953 1.00 4.12 H new ATOM 0 HG2 ARG A 117 10.466 4.873 3.386 1.00 62.53 H new ATOM 0 HG3 ARG A 117 10.367 6.599 3.676 1.00 62.53 H new ATOM 0 HD2 ARG A 117 11.306 5.921 6.080 1.00 20.25 H new ATOM 0 HD3 ARG A 117 11.864 4.497 5.225 1.00 20.25 H new ATOM 0 HE ARG A 117 12.913 7.212 4.988 1.00 64.43 H new ATOM 0 HH11 ARG A 117 12.528 4.090 3.386 1.00 74.54 H new ATOM 0 HH12 ARG A 117 13.928 4.327 2.334 1.00 74.54 H new ATOM 0 HH21 ARG A 117 14.710 7.508 3.633 1.00 53.41 H new ATOM 0 HH22 ARG A 117 15.157 6.253 2.473 1.00 53.41 H new ATOM 1801 N ALA A 118 6.996 3.530 6.261 1.00 65.20 N ATOM 1802 CA ALA A 118 6.646 2.556 7.288 1.00 51.43 C ATOM 1803 C ALA A 118 5.573 1.594 6.789 1.00 40.52 C ATOM 1804 O ALA A 118 5.598 0.405 7.105 1.00 74.41 O ATOM 1805 CB ALA A 118 6.176 3.266 8.549 1.00 22.21 C ATOM 0 H ALA A 118 6.499 4.418 6.334 1.00 65.20 H new ATOM 0 HA ALA A 118 7.538 1.974 7.522 1.00 51.43 H new ATOM 0 HB1 ALA A 118 5.918 2.527 9.308 1.00 22.21 H new ATOM 0 HB2 ALA A 118 6.973 3.908 8.924 1.00 22.21 H new ATOM 0 HB3 ALA A 118 5.300 3.872 8.320 1.00 22.21 H new ATOM 1811 N ILE A 119 4.633 2.117 6.009 1.00 53.20 N ATOM 1812 CA ILE A 119 3.552 1.304 5.467 1.00 74.24 C ATOM 1813 C ILE A 119 4.097 0.159 4.620 1.00 73.23 C ATOM 1814 O ILE A 119 3.440 -0.868 4.450 1.00 60.35 O ATOM 1815 CB ILE A 119 2.588 2.147 4.611 1.00 73.32 C ATOM 1816 CG1 ILE A 119 2.047 3.325 5.423 1.00 5.33 C ATOM 1817 CG2 ILE A 119 1.446 1.284 4.095 1.00 54.34 C ATOM 1818 CD1 ILE A 119 1.355 4.373 4.580 1.00 0.34 C ATOM 0 H ILE A 119 4.598 3.100 5.738 1.00 53.20 H new ATOM 0 HA ILE A 119 3.007 0.896 6.318 1.00 74.24 H new ATOM 0 HB ILE A 119 3.136 2.541 3.755 1.00 73.32 H new ATOM 0 HG12 ILE A 119 1.347 2.950 6.169 1.00 5.33 H new ATOM 0 HG13 ILE A 119 2.870 3.791 5.964 1.00 5.33 H new ATOM 0 HG21 ILE A 119 0.773 1.894 3.492 1.00 54.34 H new ATOM 0 HG22 ILE A 119 1.848 0.475 3.485 1.00 54.34 H new ATOM 0 HG23 ILE A 119 0.898 0.864 4.938 1.00 54.34 H new ATOM 0 HD11 ILE A 119 0.997 5.178 5.222 1.00 0.34 H new ATOM 0 HD12 ILE A 119 2.058 4.776 3.851 1.00 0.34 H new ATOM 0 HD13 ILE A 119 0.511 3.922 4.059 1.00 0.34 H new ATOM 1830 N SER A 120 5.303 0.342 4.092 1.00 12.41 N ATOM 1831 CA SER A 120 5.936 -0.674 3.261 1.00 64.41 C ATOM 1832 C SER A 120 6.513 -1.796 4.119 1.00 31.15 C ATOM 1833 O SER A 120 6.644 -2.934 3.668 1.00 23.31 O ATOM 1834 CB SER A 120 7.042 -0.050 2.408 1.00 3.21 C ATOM 1835 OG SER A 120 8.004 -1.019 2.030 1.00 21.52 O ATOM 0 H SER A 120 5.861 1.185 4.225 1.00 12.41 H new ATOM 0 HA SER A 120 5.175 -1.096 2.605 1.00 64.41 H new ATOM 0 HB2 SER A 120 6.607 0.402 1.517 1.00 3.21 H new ATOM 0 HB3 SER A 120 7.528 0.751 2.966 1.00 3.21 H new ATOM 0 HG SER A 120 8.699 -0.595 1.484 1.00 21.52 H new ATOM 1841 N HIS A 121 6.856 -1.466 5.361 1.00 74.23 N ATOM 1842 CA HIS A 121 7.418 -2.445 6.284 1.00 31.14 C ATOM 1843 C HIS A 121 6.337 -3.394 6.794 1.00 4.05 C ATOM 1844 O HIS A 121 6.606 -4.562 7.078 1.00 42.40 O ATOM 1845 CB HIS A 121 8.090 -1.739 7.462 1.00 3.01 C ATOM 1846 CG HIS A 121 8.822 -2.669 8.380 1.00 70.42 C ATOM 1847 ND1 HIS A 121 10.185 -2.867 8.320 1.00 23.43 N ATOM 1848 CD2 HIS A 121 8.372 -3.457 9.385 1.00 44.23 C ATOM 1849 CE1 HIS A 121 10.542 -3.738 9.248 1.00 45.33 C ATOM 1850 NE2 HIS A 121 9.461 -4.110 9.908 1.00 71.51 N ATOM 0 H HIS A 121 6.754 -0.529 5.750 1.00 74.23 H new ATOM 0 HA HIS A 121 8.165 -3.029 5.746 1.00 31.14 H new ATOM 0 HB2 HIS A 121 8.789 -0.996 7.079 1.00 3.01 H new ATOM 0 HB3 HIS A 121 7.333 -1.201 8.032 1.00 3.01 H new ATOM 0 HD2 HIS A 121 7.348 -3.554 9.714 1.00 44.23 H new ATOM 0 HE1 HIS A 121 11.547 -4.086 9.435 1.00 45.33 H new ATOM 0 HE2 HIS A 121 9.438 -4.775 10.681 1.00 71.51 H new