USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 955 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 72 HIS :FLIP no HE2:sc= -2.98! C(o=-5.4!,f=-3.3!) USER MOD Set 1.2: A 123 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -145:sc=-0.00649 (180deg=-0.343) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.617 X(o=-0.62,f=-0.57) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -4.07! C(o=-6.2!,f=-4.1!) USER MOD Single : A 54 GLN : amide:sc= -2.41 X(o=-2.4,f=-2.6) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl -117:sc= -0.0905 (180deg=-0.572) USER MOD Single : A 75 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.4) USER MOD Single : A 92 HIS : no HE2:sc= -2.47 K(o=-2.5,f=-8.6!) USER MOD Single : A 99 GLN : amide:sc= -3.32! C(o=-3.3!,f=-8!) USER MOD Single : A 102 CYS SG : rot -75:sc=-0.00593 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 63:sc= 0.708 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.0343 F(o=-0.96,f=-0.034) USER MOD Single : A 113 ASN : amide:sc= -1.13! X(o=-1.1!,f=-0.74) USER MOD Single : A 121 THR OG1 : rot 11:sc= -0.912! USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 75.922 25.011 -21.729 1.00 1.00 N ATOM 2 CA MET A 1 76.356 23.628 -22.085 1.00 1.00 C ATOM 3 C MET A 1 75.191 22.672 -21.850 1.00 1.00 C ATOM 4 O MET A 1 74.197 23.037 -21.224 1.00 1.00 O ATOM 5 CB MET A 1 77.540 23.211 -21.200 1.00 1.00 C ATOM 6 CG MET A 1 78.651 24.269 -21.248 1.00 1.00 C ATOM 7 SD MET A 1 79.130 24.589 -22.964 1.00 1.00 S ATOM 8 CE MET A 1 80.361 25.871 -22.616 1.00 1.00 C ATOM 0 H1 MET A 1 76.375 25.693 -22.371 1.00 1.00 H new ATOM 0 H2 MET A 1 74.888 25.084 -21.819 1.00 1.00 H new ATOM 0 H3 MET A 1 76.200 25.221 -20.749 1.00 1.00 H new ATOM 0 HA MET A 1 76.662 23.597 -23.131 1.00 1.00 H new ATOM 0 HB2 MET A 1 77.203 23.077 -20.172 1.00 1.00 H new ATOM 0 HB3 MET A 1 77.931 22.250 -21.535 1.00 1.00 H new ATOM 0 HG2 MET A 1 78.306 25.191 -20.780 1.00 1.00 H new ATOM 0 HG3 MET A 1 79.515 23.927 -20.679 1.00 1.00 H new ATOM 0 HE1 MET A 1 80.796 26.222 -23.552 1.00 1.00 H new ATOM 0 HE2 MET A 1 79.882 26.705 -22.103 1.00 1.00 H new ATOM 0 HE3 MET A 1 81.147 25.459 -21.983 1.00 1.00 H new ATOM 18 N SER A 2 75.312 21.444 -22.355 1.00 1.00 N ATOM 19 CA SER A 2 74.268 20.427 -22.201 1.00 1.00 C ATOM 20 C SER A 2 74.710 19.350 -21.209 1.00 1.00 C ATOM 21 O SER A 2 74.046 18.324 -21.063 1.00 1.00 O ATOM 22 CB SER A 2 73.969 19.776 -23.553 1.00 1.00 C ATOM 23 OG SER A 2 73.553 20.776 -24.475 1.00 1.00 O ATOM 0 H SER A 2 76.128 21.127 -22.878 1.00 1.00 H new ATOM 0 HA SER A 2 73.369 20.913 -21.822 1.00 1.00 H new ATOM 0 HB2 SER A 2 74.856 19.266 -23.928 1.00 1.00 H new ATOM 0 HB3 SER A 2 73.191 19.021 -23.442 1.00 1.00 H new ATOM 0 HG SER A 2 73.362 20.362 -25.343 1.00 1.00 H new ATOM 29 N ASP A 3 75.833 19.585 -20.530 1.00 1.00 N ATOM 30 CA ASP A 3 76.348 18.622 -19.554 1.00 1.00 C ATOM 31 C ASP A 3 77.765 19.014 -19.117 1.00 1.00 C ATOM 32 O ASP A 3 78.744 18.644 -19.767 1.00 1.00 O ATOM 33 CB ASP A 3 76.354 17.196 -20.166 1.00 1.00 C ATOM 34 CG ASP A 3 75.201 16.357 -19.611 1.00 1.00 C ATOM 35 OD1 ASP A 3 75.266 15.996 -18.447 1.00 1.00 O ATOM 36 OD2 ASP A 3 74.275 16.086 -20.358 1.00 1.00 O ATOM 0 H ASP A 3 76.400 20.426 -20.636 1.00 1.00 H new ATOM 0 HA ASP A 3 75.698 18.629 -18.679 1.00 1.00 H new ATOM 0 HB2 ASP A 3 76.272 17.262 -21.251 1.00 1.00 H new ATOM 0 HB3 ASP A 3 77.303 16.706 -19.947 1.00 1.00 H new ATOM 41 N PHE A 4 77.871 19.755 -18.012 1.00 1.00 N ATOM 42 CA PHE A 4 79.178 20.178 -17.500 1.00 1.00 C ATOM 43 C PHE A 4 79.127 20.327 -15.978 1.00 1.00 C ATOM 44 O PHE A 4 78.110 20.742 -15.421 1.00 1.00 O ATOM 45 CB PHE A 4 79.585 21.509 -18.133 1.00 1.00 C ATOM 46 CG PHE A 4 80.998 21.846 -17.723 1.00 1.00 C ATOM 47 CD1 PHE A 4 82.077 21.219 -18.359 1.00 1.00 C ATOM 48 CD2 PHE A 4 81.233 22.784 -16.711 1.00 1.00 C ATOM 49 CE1 PHE A 4 83.388 21.526 -17.981 1.00 1.00 C ATOM 50 CE2 PHE A 4 82.546 23.092 -16.333 1.00 1.00 C ATOM 51 CZ PHE A 4 83.623 22.463 -16.968 1.00 1.00 C ATOM 0 H PHE A 4 77.076 20.073 -17.458 1.00 1.00 H new ATOM 0 HA PHE A 4 79.915 19.418 -17.759 1.00 1.00 H new ATOM 0 HB2 PHE A 4 79.515 21.445 -19.219 1.00 1.00 H new ATOM 0 HB3 PHE A 4 78.904 22.299 -17.816 1.00 1.00 H new ATOM 0 HD1 PHE A 4 81.896 20.498 -19.142 1.00 1.00 H new ATOM 0 HD2 PHE A 4 80.402 23.270 -16.222 1.00 1.00 H new ATOM 0 HE1 PHE A 4 84.219 21.040 -18.471 1.00 1.00 H new ATOM 0 HE2 PHE A 4 82.727 23.815 -15.551 1.00 1.00 H new ATOM 0 HZ PHE A 4 84.635 22.701 -16.676 1.00 1.00 H new ATOM 61 N ASP A 5 80.230 19.986 -15.306 1.00 1.00 N ATOM 62 CA ASP A 5 80.296 20.090 -13.846 1.00 1.00 C ATOM 63 C ASP A 5 81.744 20.299 -13.395 1.00 1.00 C ATOM 64 O ASP A 5 82.675 19.820 -14.040 1.00 1.00 O ATOM 65 CB ASP A 5 79.741 18.809 -13.218 1.00 1.00 C ATOM 66 CG ASP A 5 78.285 18.616 -13.629 1.00 1.00 C ATOM 67 OD1 ASP A 5 77.468 19.439 -13.246 1.00 1.00 O ATOM 68 OD2 ASP A 5 78.008 17.651 -14.322 1.00 1.00 O ATOM 0 H ASP A 5 81.083 19.638 -15.745 1.00 1.00 H new ATOM 0 HA ASP A 5 79.700 20.944 -13.523 1.00 1.00 H new ATOM 0 HB2 ASP A 5 80.334 17.952 -13.536 1.00 1.00 H new ATOM 0 HB3 ASP A 5 79.817 18.864 -12.132 1.00 1.00 H new ATOM 73 N THR A 6 81.933 21.010 -12.281 1.00 1.00 N ATOM 74 CA THR A 6 83.282 21.257 -11.771 1.00 1.00 C ATOM 75 C THR A 6 83.886 19.953 -11.253 1.00 1.00 C ATOM 76 O THR A 6 83.232 18.941 -11.250 1.00 1.00 O ATOM 77 CB THR A 6 83.258 22.335 -10.668 1.00 1.00 C ATOM 78 OG1 THR A 6 82.476 23.436 -11.109 1.00 1.00 O ATOM 79 CG2 THR A 6 84.677 22.820 -10.349 1.00 1.00 C ATOM 0 H THR A 6 81.183 21.418 -11.724 1.00 1.00 H new ATOM 0 HA THR A 6 83.906 21.629 -12.583 1.00 1.00 H new ATOM 0 HB THR A 6 82.827 21.902 -9.766 1.00 1.00 H new ATOM 0 HG1 THR A 6 82.456 24.123 -10.411 1.00 1.00 H new ATOM 0 HG21 THR A 6 84.635 23.580 -9.569 1.00 1.00 H new ATOM 0 HG22 THR A 6 85.280 21.980 -10.005 1.00 1.00 H new ATOM 0 HG23 THR A 6 85.126 23.246 -11.246 1.00 1.00 H new ATOM 87 N GLU A 7 85.143 19.996 -10.864 1.00 1.00 N ATOM 88 CA GLU A 7 85.867 18.810 -10.388 1.00 1.00 C ATOM 89 C GLU A 7 85.200 18.248 -9.140 1.00 1.00 C ATOM 90 O GLU A 7 84.866 17.072 -9.068 1.00 1.00 O ATOM 91 CB GLU A 7 87.313 19.204 -10.062 1.00 1.00 C ATOM 92 CG GLU A 7 88.133 17.958 -9.713 1.00 1.00 C ATOM 93 CD GLU A 7 89.599 18.340 -9.530 1.00 1.00 C ATOM 94 OE1 GLU A 7 90.140 18.979 -10.417 1.00 1.00 O ATOM 95 OE2 GLU A 7 90.159 17.989 -8.503 1.00 1.00 O ATOM 0 H GLU A 7 85.702 20.849 -10.865 1.00 1.00 H new ATOM 0 HA GLU A 7 85.854 18.046 -11.166 1.00 1.00 H new ATOM 0 HB2 GLU A 7 87.760 19.716 -10.915 1.00 1.00 H new ATOM 0 HB3 GLU A 7 87.328 19.904 -9.227 1.00 1.00 H new ATOM 0 HG2 GLU A 7 87.749 17.503 -8.800 1.00 1.00 H new ATOM 0 HG3 GLU A 7 88.037 17.215 -10.504 1.00 1.00 H new ATOM 102 N ARG A 8 85.057 19.097 -8.144 1.00 1.00 N ATOM 103 CA ARG A 8 84.464 18.637 -6.892 1.00 1.00 C ATOM 104 C ARG A 8 83.136 17.927 -7.232 1.00 1.00 C ATOM 105 O ARG A 8 82.947 16.769 -6.942 1.00 1.00 O ATOM 106 CB ARG A 8 84.186 19.846 -5.976 1.00 1.00 C ATOM 107 CG ARG A 8 84.121 19.393 -4.509 1.00 1.00 C ATOM 108 CD ARG A 8 83.400 20.451 -3.652 1.00 1.00 C ATOM 109 NE ARG A 8 81.970 20.149 -3.573 1.00 1.00 N ATOM 110 CZ ARG A 8 81.080 20.725 -4.385 1.00 1.00 C ATOM 111 NH1 ARG A 8 81.465 21.589 -5.285 1.00 1.00 N ATOM 112 NH2 ARG A 8 79.815 20.422 -4.275 1.00 1.00 N ATOM 0 H ARG A 8 85.331 20.079 -8.166 1.00 1.00 H new ATOM 0 HA ARG A 8 85.140 17.955 -6.376 1.00 1.00 H new ATOM 0 HB2 ARG A 8 84.970 20.594 -6.100 1.00 1.00 H new ATOM 0 HB3 ARG A 8 83.246 20.319 -6.261 1.00 1.00 H new ATOM 0 HG2 ARG A 8 83.597 18.440 -4.439 1.00 1.00 H new ATOM 0 HG3 ARG A 8 85.129 19.231 -4.127 1.00 1.00 H new ATOM 0 HD2 ARG A 8 83.830 20.473 -2.651 1.00 1.00 H new ATOM 0 HD3 ARG A 8 83.547 21.441 -4.084 1.00 1.00 H new ATOM 0 HE ARG A 8 81.644 19.479 -2.877 1.00 1.00 H new ATOM 0 HH11 ARG A 8 82.453 21.829 -5.372 1.00 1.00 H new ATOM 0 HH12 ARG A 8 80.778 22.024 -5.901 1.00 1.00 H new ATOM 0 HH21 ARG A 8 79.511 19.749 -3.572 1.00 1.00 H new ATOM 0 HH22 ARG A 8 79.130 20.859 -4.892 1.00 1.00 H new ATOM 126 N VAL A 9 82.273 18.672 -7.880 1.00 1.00 N ATOM 127 CA VAL A 9 80.959 18.134 -8.286 1.00 1.00 C ATOM 128 C VAL A 9 81.120 17.021 -9.344 1.00 1.00 C ATOM 129 O VAL A 9 80.521 15.970 -9.224 1.00 1.00 O ATOM 130 CB VAL A 9 79.989 19.233 -8.753 1.00 1.00 C ATOM 131 CG1 VAL A 9 79.147 19.719 -7.560 1.00 1.00 C ATOM 132 CG2 VAL A 9 80.779 20.404 -9.318 1.00 1.00 C ATOM 0 H VAL A 9 82.436 19.644 -8.144 1.00 1.00 H new ATOM 0 HA VAL A 9 80.507 17.689 -7.399 1.00 1.00 H new ATOM 0 HB VAL A 9 79.333 18.829 -9.524 1.00 1.00 H new ATOM 0 HG11 VAL A 9 78.460 20.498 -7.892 1.00 1.00 H new ATOM 0 HG12 VAL A 9 78.578 18.884 -7.152 1.00 1.00 H new ATOM 0 HG13 VAL A 9 79.805 20.121 -6.790 1.00 1.00 H new ATOM 0 HG21 VAL A 9 80.091 21.182 -9.648 1.00 1.00 H new ATOM 0 HG22 VAL A 9 81.437 20.805 -8.547 1.00 1.00 H new ATOM 0 HG23 VAL A 9 81.377 20.065 -10.164 1.00 1.00 H new ATOM 142 N SER A 10 81.933 17.266 -10.359 1.00 1.00 N ATOM 143 CA SER A 10 82.137 16.235 -11.404 1.00 1.00 C ATOM 144 C SER A 10 82.778 15.003 -10.756 1.00 1.00 C ATOM 145 O SER A 10 82.271 13.897 -10.852 1.00 1.00 O ATOM 146 CB SER A 10 83.026 16.729 -12.557 1.00 1.00 C ATOM 147 OG SER A 10 83.120 15.708 -13.542 1.00 1.00 O ATOM 0 H SER A 10 82.453 18.133 -10.494 1.00 1.00 H new ATOM 0 HA SER A 10 81.164 15.994 -11.832 1.00 1.00 H new ATOM 0 HB2 SER A 10 82.606 17.635 -12.994 1.00 1.00 H new ATOM 0 HB3 SER A 10 84.018 16.984 -12.184 1.00 1.00 H new ATOM 0 HG SER A 10 83.684 16.017 -14.281 1.00 1.00 H new ATOM 153 N ARG A 11 83.937 15.183 -10.163 1.00 1.00 N ATOM 154 CA ARG A 11 84.645 14.060 -9.554 1.00 1.00 C ATOM 155 C ARG A 11 83.860 13.507 -8.346 1.00 1.00 C ATOM 156 O ARG A 11 83.606 12.318 -8.260 1.00 1.00 O ATOM 157 CB ARG A 11 86.036 14.508 -9.101 1.00 1.00 C ATOM 158 CG ARG A 11 86.868 13.274 -8.755 1.00 1.00 C ATOM 159 CD ARG A 11 88.143 13.691 -8.028 1.00 1.00 C ATOM 160 NE ARG A 11 89.040 14.410 -8.923 1.00 1.00 N ATOM 161 CZ ARG A 11 90.322 14.562 -8.612 1.00 1.00 C ATOM 162 NH1 ARG A 11 90.781 14.040 -7.509 1.00 1.00 N ATOM 163 NH2 ARG A 11 91.119 15.224 -9.405 1.00 1.00 N ATOM 0 H ARG A 11 84.412 16.082 -10.085 1.00 1.00 H new ATOM 0 HA ARG A 11 84.740 13.269 -10.298 1.00 1.00 H new ATOM 0 HB2 ARG A 11 86.523 15.081 -9.890 1.00 1.00 H new ATOM 0 HB3 ARG A 11 85.957 15.164 -8.234 1.00 1.00 H new ATOM 0 HG2 ARG A 11 86.287 12.598 -8.128 1.00 1.00 H new ATOM 0 HG3 ARG A 11 87.120 12.728 -9.664 1.00 1.00 H new ATOM 0 HD2 ARG A 11 87.891 14.322 -7.176 1.00 1.00 H new ATOM 0 HD3 ARG A 11 88.647 12.809 -7.633 1.00 1.00 H new ATOM 0 HE ARG A 11 88.681 14.799 -9.795 1.00 1.00 H new ATOM 0 HH11 ARG A 11 90.157 13.520 -6.893 1.00 1.00 H new ATOM 0 HH12 ARG A 11 91.764 14.152 -7.262 1.00 1.00 H new ATOM 0 HH21 ARG A 11 90.758 15.628 -10.269 1.00 1.00 H new ATOM 0 HH22 ARG A 11 92.103 15.337 -9.161 1.00 1.00 H new ATOM 177 N ALA A 12 83.541 14.374 -7.388 1.00 1.00 N ATOM 178 CA ALA A 12 82.854 13.866 -6.174 1.00 1.00 C ATOM 179 C ALA A 12 81.680 13.009 -6.621 1.00 1.00 C ATOM 180 O ALA A 12 81.558 11.852 -6.260 1.00 1.00 O ATOM 181 CB ALA A 12 82.294 14.966 -5.265 1.00 1.00 C ATOM 0 H ALA A 12 83.727 15.377 -7.408 1.00 1.00 H new ATOM 0 HA ALA A 12 83.600 13.317 -5.600 1.00 1.00 H new ATOM 0 HB1 ALA A 12 81.808 14.512 -4.401 1.00 1.00 H new ATOM 0 HB2 ALA A 12 83.107 15.608 -4.928 1.00 1.00 H new ATOM 0 HB3 ALA A 12 81.568 15.561 -5.819 1.00 1.00 H new ATOM 187 N VAL A 13 80.866 13.599 -7.456 1.00 1.00 N ATOM 188 CA VAL A 13 79.738 12.837 -7.965 1.00 1.00 C ATOM 189 C VAL A 13 80.302 11.635 -8.712 1.00 1.00 C ATOM 190 O VAL A 13 79.883 10.531 -8.483 1.00 1.00 O ATOM 191 CB VAL A 13 78.747 13.608 -8.848 1.00 1.00 C ATOM 192 CG1 VAL A 13 78.352 14.940 -8.177 1.00 1.00 C ATOM 193 CG2 VAL A 13 79.342 13.834 -10.241 1.00 1.00 C ATOM 0 H VAL A 13 80.947 14.559 -7.791 1.00 1.00 H new ATOM 0 HA VAL A 13 79.135 12.551 -7.103 1.00 1.00 H new ATOM 0 HB VAL A 13 77.840 13.015 -8.965 1.00 1.00 H new ATOM 0 HG11 VAL A 13 77.649 15.475 -8.816 1.00 1.00 H new ATOM 0 HG12 VAL A 13 77.885 14.737 -7.213 1.00 1.00 H new ATOM 0 HG13 VAL A 13 79.243 15.550 -8.027 1.00 1.00 H new ATOM 0 HG21 VAL A 13 78.629 14.382 -10.857 1.00 1.00 H new ATOM 0 HG22 VAL A 13 80.264 14.410 -10.154 1.00 1.00 H new ATOM 0 HG23 VAL A 13 79.558 12.872 -10.705 1.00 1.00 H new ATOM 203 N ALA A 14 81.289 11.819 -9.582 1.00 1.00 N ATOM 204 CA ALA A 14 81.801 10.634 -10.267 1.00 1.00 C ATOM 205 C ALA A 14 82.260 9.601 -9.237 1.00 1.00 C ATOM 206 O ALA A 14 81.740 8.513 -9.210 1.00 1.00 O ATOM 207 CB ALA A 14 82.969 10.978 -11.196 1.00 1.00 C ATOM 0 H ALA A 14 81.727 12.709 -9.820 1.00 1.00 H new ATOM 0 HA ALA A 14 80.993 10.226 -10.874 1.00 1.00 H new ATOM 0 HB1 ALA A 14 83.322 10.071 -11.687 1.00 1.00 H new ATOM 0 HB2 ALA A 14 82.637 11.693 -11.949 1.00 1.00 H new ATOM 0 HB3 ALA A 14 83.780 11.415 -10.614 1.00 1.00 H new ATOM 213 N ALA A 15 83.253 9.949 -8.426 1.00 1.00 N ATOM 214 CA ALA A 15 83.791 9.011 -7.427 1.00 1.00 C ATOM 215 C ALA A 15 82.660 8.478 -6.543 1.00 1.00 C ATOM 216 O ALA A 15 82.466 7.279 -6.409 1.00 1.00 O ATOM 217 CB ALA A 15 84.823 9.722 -6.547 1.00 1.00 C ATOM 0 H ALA A 15 83.704 10.864 -8.434 1.00 1.00 H new ATOM 0 HA ALA A 15 84.265 8.180 -7.949 1.00 1.00 H new ATOM 0 HB1 ALA A 15 85.217 9.022 -5.810 1.00 1.00 H new ATOM 0 HB2 ALA A 15 85.639 10.091 -7.169 1.00 1.00 H new ATOM 0 HB3 ALA A 15 84.349 10.559 -6.035 1.00 1.00 H new ATOM 223 N ALA A 16 81.947 9.399 -5.926 1.00 1.00 N ATOM 224 CA ALA A 16 80.844 9.015 -5.041 1.00 1.00 C ATOM 225 C ALA A 16 79.765 8.262 -5.864 1.00 1.00 C ATOM 226 O ALA A 16 79.365 7.148 -5.534 1.00 1.00 O ATOM 227 CB ALA A 16 80.262 10.279 -4.368 1.00 1.00 C ATOM 0 H ALA A 16 82.100 10.404 -6.012 1.00 1.00 H new ATOM 0 HA ALA A 16 81.202 8.348 -4.257 1.00 1.00 H new ATOM 0 HB1 ALA A 16 79.441 9.995 -3.709 1.00 1.00 H new ATOM 0 HB2 ALA A 16 81.040 10.773 -3.786 1.00 1.00 H new ATOM 0 HB3 ALA A 16 79.893 10.962 -5.134 1.00 1.00 H new ATOM 233 N LEU A 17 79.299 8.929 -6.901 1.00 1.00 N ATOM 234 CA LEU A 17 78.230 8.333 -7.740 1.00 1.00 C ATOM 235 C LEU A 17 78.729 6.980 -8.266 1.00 1.00 C ATOM 236 O LEU A 17 78.066 5.957 -8.088 1.00 1.00 O ATOM 237 CB LEU A 17 77.781 9.220 -8.917 1.00 1.00 C ATOM 238 CG LEU A 17 76.398 8.789 -9.434 1.00 1.00 C ATOM 239 CD1 LEU A 17 75.939 9.789 -10.500 1.00 1.00 C ATOM 240 CD2 LEU A 17 76.451 7.377 -10.049 1.00 1.00 C ATOM 0 H LEU A 17 79.617 9.853 -7.192 1.00 1.00 H new ATOM 0 HA LEU A 17 77.349 8.221 -7.108 1.00 1.00 H new ATOM 0 HB2 LEU A 17 77.746 10.262 -8.599 1.00 1.00 H new ATOM 0 HB3 LEU A 17 78.511 9.157 -9.724 1.00 1.00 H new ATOM 0 HG LEU A 17 75.699 8.771 -8.598 1.00 1.00 H new ATOM 0 HD11 LEU A 17 74.959 9.496 -10.876 1.00 1.00 H new ATOM 0 HD12 LEU A 17 75.876 10.785 -10.062 1.00 1.00 H new ATOM 0 HD13 LEU A 17 76.655 9.799 -11.322 1.00 1.00 H new ATOM 0 HD21 LEU A 17 75.460 7.098 -10.406 1.00 1.00 H new ATOM 0 HD22 LEU A 17 77.153 7.370 -10.883 1.00 1.00 H new ATOM 0 HD23 LEU A 17 76.778 6.663 -9.293 1.00 1.00 H new ATOM 252 N VAL A 18 79.911 6.960 -8.885 1.00 1.00 N ATOM 253 CA VAL A 18 80.446 5.692 -9.390 1.00 1.00 C ATOM 254 C VAL A 18 80.836 4.789 -8.216 1.00 1.00 C ATOM 255 O VAL A 18 80.350 3.665 -8.105 1.00 1.00 O ATOM 256 CB VAL A 18 81.638 5.914 -10.365 1.00 1.00 C ATOM 257 CG1 VAL A 18 81.323 7.074 -11.358 1.00 1.00 C ATOM 258 CG2 VAL A 18 82.951 6.210 -9.602 1.00 1.00 C ATOM 0 H VAL A 18 80.500 7.777 -9.046 1.00 1.00 H new ATOM 0 HA VAL A 18 79.666 5.195 -9.966 1.00 1.00 H new ATOM 0 HB VAL A 18 81.777 4.991 -10.927 1.00 1.00 H new ATOM 0 HG11 VAL A 18 82.168 7.215 -12.032 1.00 1.00 H new ATOM 0 HG12 VAL A 18 80.434 6.826 -11.937 1.00 1.00 H new ATOM 0 HG13 VAL A 18 81.147 7.993 -10.799 1.00 1.00 H new ATOM 0 HG21 VAL A 18 83.761 6.359 -10.316 1.00 1.00 H new ATOM 0 HG22 VAL A 18 82.827 7.110 -9.000 1.00 1.00 H new ATOM 0 HG23 VAL A 18 83.191 5.369 -8.951 1.00 1.00 H new ATOM 268 N GLY A 19 81.727 5.275 -7.357 1.00 1.00 N ATOM 269 CA GLY A 19 82.189 4.514 -6.216 1.00 1.00 C ATOM 270 C GLY A 19 81.036 4.151 -5.298 1.00 1.00 C ATOM 271 O GLY A 19 79.872 4.405 -5.612 1.00 1.00 O ATOM 0 H GLY A 19 82.143 6.203 -7.437 1.00 1.00 H new ATOM 0 HA2 GLY A 19 82.686 3.606 -6.558 1.00 1.00 H new ATOM 0 HA3 GLY A 19 82.929 5.094 -5.664 1.00 1.00 H new ATOM 275 N PRO A 20 81.332 3.537 -4.192 1.00 1.00 N ATOM 276 CA PRO A 20 80.308 3.099 -3.227 1.00 1.00 C ATOM 277 C PRO A 20 79.872 4.212 -2.272 1.00 1.00 C ATOM 278 O PRO A 20 78.775 4.162 -1.743 1.00 1.00 O ATOM 279 CB PRO A 20 80.984 1.928 -2.491 1.00 1.00 C ATOM 280 CG PRO A 20 82.471 2.130 -2.656 1.00 1.00 C ATOM 281 CD PRO A 20 82.686 3.226 -3.712 1.00 1.00 C ATOM 0 HA PRO A 20 79.378 2.810 -3.717 1.00 1.00 H new ATOM 0 HB2 PRO A 20 80.707 1.919 -1.437 1.00 1.00 H new ATOM 0 HB3 PRO A 20 80.672 0.972 -2.911 1.00 1.00 H new ATOM 0 HG2 PRO A 20 82.924 2.420 -1.708 1.00 1.00 H new ATOM 0 HG3 PRO A 20 82.950 1.202 -2.967 1.00 1.00 H new ATOM 0 HD2 PRO A 20 83.167 4.104 -3.282 1.00 1.00 H new ATOM 0 HD3 PRO A 20 83.325 2.877 -4.523 1.00 1.00 H new ATOM 289 N GLY A 21 80.759 5.179 -2.025 1.00 1.00 N ATOM 290 CA GLY A 21 80.436 6.250 -1.064 1.00 1.00 C ATOM 291 C GLY A 21 79.179 7.022 -1.483 1.00 1.00 C ATOM 292 O GLY A 21 78.212 7.110 -0.729 1.00 1.00 O ATOM 0 H GLY A 21 81.680 5.248 -2.459 1.00 1.00 H new ATOM 0 HA2 GLY A 21 80.286 5.819 -0.074 1.00 1.00 H new ATOM 0 HA3 GLY A 21 81.278 6.938 -0.988 1.00 1.00 H new ATOM 296 N GLY A 22 79.218 7.602 -2.665 1.00 1.00 N ATOM 297 CA GLY A 22 78.063 8.397 -3.121 1.00 1.00 C ATOM 298 C GLY A 22 76.866 7.502 -3.062 1.00 1.00 C ATOM 299 O GLY A 22 75.842 7.831 -2.474 1.00 1.00 O ATOM 0 H GLY A 22 80.000 7.551 -3.318 1.00 1.00 H new ATOM 0 HA2 GLY A 22 77.922 9.272 -2.486 1.00 1.00 H new ATOM 0 HA3 GLY A 22 78.222 8.762 -4.136 1.00 1.00 H new ATOM 303 N VAL A 23 77.008 6.356 -3.666 1.00 1.00 N ATOM 304 CA VAL A 23 75.928 5.403 -3.651 1.00 1.00 C ATOM 305 C VAL A 23 75.606 5.044 -2.190 1.00 1.00 C ATOM 306 O VAL A 23 74.463 4.732 -1.864 1.00 1.00 O ATOM 307 CB VAL A 23 76.272 4.155 -4.469 1.00 1.00 C ATOM 308 CG1 VAL A 23 75.061 3.223 -4.471 1.00 1.00 C ATOM 309 CG2 VAL A 23 76.592 4.561 -5.916 1.00 1.00 C ATOM 0 H VAL A 23 77.845 6.060 -4.168 1.00 1.00 H new ATOM 0 HA VAL A 23 75.048 5.848 -4.117 1.00 1.00 H new ATOM 0 HB VAL A 23 77.136 3.654 -4.032 1.00 1.00 H new ATOM 0 HG11 VAL A 23 75.291 2.329 -5.050 1.00 1.00 H new ATOM 0 HG12 VAL A 23 74.818 2.939 -3.447 1.00 1.00 H new ATOM 0 HG13 VAL A 23 74.209 3.735 -4.917 1.00 1.00 H new ATOM 0 HG21 VAL A 23 76.837 3.672 -6.498 1.00 1.00 H new ATOM 0 HG22 VAL A 23 75.725 5.055 -6.355 1.00 1.00 H new ATOM 0 HG23 VAL A 23 77.441 5.244 -5.923 1.00 1.00 H new ATOM 319 N ALA A 24 76.634 5.066 -1.319 1.00 1.00 N ATOM 320 CA ALA A 24 76.384 4.704 0.081 1.00 1.00 C ATOM 321 C ALA A 24 75.319 5.619 0.694 1.00 1.00 C ATOM 322 O ALA A 24 74.267 5.134 1.092 1.00 1.00 O ATOM 323 CB ALA A 24 77.653 4.796 0.945 1.00 1.00 C ATOM 0 H ALA A 24 77.596 5.317 -1.547 1.00 1.00 H new ATOM 0 HA ALA A 24 76.040 3.670 0.072 1.00 1.00 H new ATOM 0 HB1 ALA A 24 77.415 4.518 1.972 1.00 1.00 H new ATOM 0 HB2 ALA A 24 78.411 4.118 0.552 1.00 1.00 H new ATOM 0 HB3 ALA A 24 78.034 5.817 0.924 1.00 1.00 H new ATOM 329 N LEU A 25 75.577 6.931 0.796 1.00 1.00 N ATOM 330 CA LEU A 25 74.595 7.820 1.415 1.00 1.00 C ATOM 331 C LEU A 25 73.309 7.885 0.613 1.00 1.00 C ATOM 332 O LEU A 25 72.221 7.874 1.187 1.00 1.00 O ATOM 333 CB LEU A 25 75.176 9.241 1.577 1.00 1.00 C ATOM 334 CG LEU A 25 76.070 9.598 0.361 1.00 1.00 C ATOM 335 CD1 LEU A 25 75.834 11.052 -0.064 1.00 1.00 C ATOM 336 CD2 LEU A 25 77.547 9.413 0.732 1.00 1.00 C ATOM 0 H LEU A 25 76.430 7.385 0.468 1.00 1.00 H new ATOM 0 HA LEU A 25 74.363 7.408 2.397 1.00 1.00 H new ATOM 0 HB2 LEU A 25 74.366 9.965 1.666 1.00 1.00 H new ATOM 0 HB3 LEU A 25 75.759 9.300 2.496 1.00 1.00 H new ATOM 0 HG LEU A 25 75.813 8.937 -0.467 1.00 1.00 H new ATOM 0 HD11 LEU A 25 76.468 11.289 -0.918 1.00 1.00 H new ATOM 0 HD12 LEU A 25 74.788 11.185 -0.340 1.00 1.00 H new ATOM 0 HD13 LEU A 25 76.078 11.717 0.764 1.00 1.00 H new ATOM 0 HD21 LEU A 25 78.172 9.665 -0.125 1.00 1.00 H new ATOM 0 HD22 LEU A 25 77.797 10.067 1.568 1.00 1.00 H new ATOM 0 HD23 LEU A 25 77.723 8.376 1.017 1.00 1.00 H new ATOM 348 N VAL A 26 73.415 7.987 -0.705 1.00 1.00 N ATOM 349 CA VAL A 26 72.207 8.097 -1.496 1.00 1.00 C ATOM 350 C VAL A 26 71.328 6.879 -1.278 1.00 1.00 C ATOM 351 O VAL A 26 70.177 7.013 -0.864 1.00 1.00 O ATOM 352 CB VAL A 26 72.598 8.210 -2.967 1.00 1.00 C ATOM 353 CG1 VAL A 26 71.341 8.218 -3.836 1.00 1.00 C ATOM 354 CG2 VAL A 26 73.377 9.511 -3.168 1.00 1.00 C ATOM 0 H VAL A 26 74.290 7.996 -1.229 1.00 1.00 H new ATOM 0 HA VAL A 26 71.645 8.981 -1.195 1.00 1.00 H new ATOM 0 HB VAL A 26 73.217 7.360 -3.254 1.00 1.00 H new ATOM 0 HG11 VAL A 26 71.625 8.299 -4.885 1.00 1.00 H new ATOM 0 HG12 VAL A 26 70.785 7.293 -3.680 1.00 1.00 H new ATOM 0 HG13 VAL A 26 70.715 9.068 -3.563 1.00 1.00 H new ATOM 0 HG21 VAL A 26 73.663 9.605 -4.215 1.00 1.00 H new ATOM 0 HG22 VAL A 26 72.751 10.357 -2.885 1.00 1.00 H new ATOM 0 HG23 VAL A 26 74.273 9.499 -2.547 1.00 1.00 H new ATOM 364 N VAL A 27 71.837 5.691 -1.584 1.00 1.00 N ATOM 365 CA VAL A 27 71.048 4.476 -1.440 1.00 1.00 C ATOM 366 C VAL A 27 70.579 4.292 0.004 1.00 1.00 C ATOM 367 O VAL A 27 69.490 3.769 0.250 1.00 1.00 O ATOM 368 CB VAL A 27 71.900 3.270 -1.912 1.00 1.00 C ATOM 369 CG1 VAL A 27 72.722 2.690 -0.752 1.00 1.00 C ATOM 370 CG2 VAL A 27 70.994 2.177 -2.496 1.00 1.00 C ATOM 0 H VAL A 27 72.785 5.545 -1.931 1.00 1.00 H new ATOM 0 HA VAL A 27 70.152 4.549 -2.057 1.00 1.00 H new ATOM 0 HB VAL A 27 72.585 3.623 -2.682 1.00 1.00 H new ATOM 0 HG11 VAL A 27 73.311 1.845 -1.110 1.00 1.00 H new ATOM 0 HG12 VAL A 27 73.390 3.457 -0.360 1.00 1.00 H new ATOM 0 HG13 VAL A 27 72.050 2.355 0.038 1.00 1.00 H new ATOM 0 HG21 VAL A 27 71.604 1.335 -2.824 1.00 1.00 H new ATOM 0 HG22 VAL A 27 70.292 1.841 -1.733 1.00 1.00 H new ATOM 0 HG23 VAL A 27 70.442 2.578 -3.346 1.00 1.00 H new ATOM 380 N LYS A 28 71.419 4.702 0.943 1.00 1.00 N ATOM 381 CA LYS A 28 71.077 4.559 2.355 1.00 1.00 C ATOM 382 C LYS A 28 69.908 5.472 2.686 1.00 1.00 C ATOM 383 O LYS A 28 68.880 5.031 3.197 1.00 1.00 O ATOM 384 CB LYS A 28 72.293 4.923 3.211 1.00 1.00 C ATOM 385 CG LYS A 28 72.007 4.651 4.687 1.00 1.00 C ATOM 386 CD LYS A 28 73.288 4.873 5.504 1.00 1.00 C ATOM 387 CE LYS A 28 73.600 6.370 5.610 1.00 1.00 C ATOM 388 NZ LYS A 28 74.594 6.586 6.700 1.00 1.00 N ATOM 0 H LYS A 28 72.327 5.129 0.761 1.00 1.00 H new ATOM 0 HA LYS A 28 70.792 3.528 2.564 1.00 1.00 H new ATOM 0 HB2 LYS A 28 73.159 4.344 2.889 1.00 1.00 H new ATOM 0 HB3 LYS A 28 72.543 5.975 3.070 1.00 1.00 H new ATOM 0 HG2 LYS A 28 71.216 5.311 5.043 1.00 1.00 H new ATOM 0 HG3 LYS A 28 71.652 3.629 4.818 1.00 1.00 H new ATOM 0 HD2 LYS A 28 73.170 4.448 6.501 1.00 1.00 H new ATOM 0 HD3 LYS A 28 74.122 4.353 5.033 1.00 1.00 H new ATOM 0 HE2 LYS A 28 73.994 6.740 4.663 1.00 1.00 H new ATOM 0 HE3 LYS A 28 72.688 6.930 5.816 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 74.810 7.600 6.777 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 74.201 6.246 7.601 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 75.466 6.062 6.484 1.00 1.00 H new ATOM 402 N VAL A 29 70.093 6.749 2.398 1.00 1.00 N ATOM 403 CA VAL A 29 69.051 7.722 2.689 1.00 1.00 C ATOM 404 C VAL A 29 67.801 7.398 1.891 1.00 1.00 C ATOM 405 O VAL A 29 66.700 7.387 2.445 1.00 1.00 O ATOM 406 CB VAL A 29 69.503 9.163 2.401 1.00 1.00 C ATOM 407 CG1 VAL A 29 68.281 10.097 2.417 1.00 1.00 C ATOM 408 CG2 VAL A 29 70.479 9.613 3.491 1.00 1.00 C ATOM 0 H VAL A 29 70.937 7.132 1.972 1.00 1.00 H new ATOM 0 HA VAL A 29 68.833 7.658 3.755 1.00 1.00 H new ATOM 0 HB VAL A 29 69.987 9.202 1.425 1.00 1.00 H new ATOM 0 HG11 VAL A 29 68.601 11.119 2.213 1.00 1.00 H new ATOM 0 HG12 VAL A 29 67.571 9.780 1.653 1.00 1.00 H new ATOM 0 HG13 VAL A 29 67.804 10.055 3.396 1.00 1.00 H new ATOM 0 HG21 VAL A 29 70.802 10.635 3.291 1.00 1.00 H new ATOM 0 HG22 VAL A 29 69.984 9.573 4.462 1.00 1.00 H new ATOM 0 HG23 VAL A 29 71.346 8.953 3.498 1.00 1.00 H new ATOM 418 N CYS A 30 67.946 7.145 0.595 1.00 1.00 N ATOM 419 CA CYS A 30 66.773 6.852 -0.199 1.00 1.00 C ATOM 420 C CYS A 30 66.159 5.518 0.212 1.00 1.00 C ATOM 421 O CYS A 30 65.000 5.473 0.623 1.00 1.00 O ATOM 422 CB CYS A 30 67.174 6.828 -1.689 1.00 1.00 C ATOM 423 SG CYS A 30 65.829 7.487 -2.709 1.00 1.00 S ATOM 0 H CYS A 30 68.833 7.138 0.092 1.00 1.00 H new ATOM 0 HA CYS A 30 66.022 7.625 -0.034 1.00 1.00 H new ATOM 0 HB2 CYS A 30 68.078 7.419 -1.840 1.00 1.00 H new ATOM 0 HB3 CYS A 30 67.406 5.808 -1.995 1.00 1.00 H new ATOM 0 HG CYS A 30 66.181 7.463 -3.960 1.00 1.00 H new ATOM 428 N ALA A 31 66.896 4.419 0.052 1.00 1.00 N ATOM 429 CA ALA A 31 66.357 3.102 0.353 1.00 1.00 C ATOM 430 C ALA A 31 65.949 3.001 1.799 1.00 1.00 C ATOM 431 O ALA A 31 64.836 2.577 2.111 1.00 1.00 O ATOM 432 CB ALA A 31 67.424 2.034 0.035 1.00 1.00 C ATOM 0 H ALA A 31 67.860 4.418 -0.282 1.00 1.00 H new ATOM 0 HA ALA A 31 65.471 2.938 -0.260 1.00 1.00 H new ATOM 0 HB1 ALA A 31 67.026 1.044 0.259 1.00 1.00 H new ATOM 0 HB2 ALA A 31 67.690 2.088 -1.021 1.00 1.00 H new ATOM 0 HB3 ALA A 31 68.311 2.214 0.642 1.00 1.00 H new ATOM 438 N GLY A 32 66.865 3.361 2.682 1.00 1.00 N ATOM 439 CA GLY A 32 66.600 3.280 4.097 1.00 1.00 C ATOM 440 C GLY A 32 66.888 1.876 4.595 1.00 1.00 C ATOM 441 O GLY A 32 65.958 1.099 4.820 1.00 1.00 O ATOM 0 H GLY A 32 67.792 3.710 2.440 1.00 1.00 H new ATOM 0 HA2 GLY A 32 67.218 4.000 4.634 1.00 1.00 H new ATOM 0 HA3 GLY A 32 65.561 3.540 4.297 1.00 1.00 H new ATOM 445 N LEU A 33 68.189 1.552 4.724 1.00 1.00 N ATOM 446 CA LEU A 33 68.670 0.233 5.177 1.00 1.00 C ATOM 447 C LEU A 33 68.802 -0.741 3.980 1.00 1.00 C ATOM 448 O LEU A 33 67.796 -1.283 3.521 1.00 1.00 O ATOM 449 CB LEU A 33 67.753 -0.373 6.286 1.00 1.00 C ATOM 450 CG LEU A 33 68.531 -0.575 7.593 1.00 1.00 C ATOM 451 CD1 LEU A 33 68.892 0.784 8.214 1.00 1.00 C ATOM 452 CD2 LEU A 33 67.650 -1.351 8.570 1.00 1.00 C ATOM 0 H LEU A 33 68.943 2.206 4.514 1.00 1.00 H new ATOM 0 HA LEU A 33 69.656 0.379 5.617 1.00 1.00 H new ATOM 0 HB2 LEU A 33 66.904 0.288 6.462 1.00 1.00 H new ATOM 0 HB3 LEU A 33 67.349 -1.327 5.948 1.00 1.00 H new ATOM 0 HG LEU A 33 69.449 -1.124 7.385 1.00 1.00 H new ATOM 0 HD11 LEU A 33 69.444 0.626 9.141 1.00 1.00 H new ATOM 0 HD12 LEU A 33 69.509 1.350 7.517 1.00 1.00 H new ATOM 0 HD13 LEU A 33 67.979 1.341 8.426 1.00 1.00 H new ATOM 0 HD21 LEU A 33 68.190 -1.503 9.505 1.00 1.00 H new ATOM 0 HD22 LEU A 33 66.738 -0.787 8.765 1.00 1.00 H new ATOM 0 HD23 LEU A 33 67.393 -2.318 8.138 1.00 1.00 H new ATOM 464 N PRO A 34 70.003 -0.964 3.446 1.00 1.00 N ATOM 465 CA PRO A 34 70.191 -1.874 2.266 1.00 1.00 C ATOM 466 C PRO A 34 70.007 -3.373 2.570 1.00 1.00 C ATOM 467 O PRO A 34 69.593 -4.128 1.690 1.00 1.00 O ATOM 468 CB PRO A 34 71.625 -1.569 1.792 1.00 1.00 C ATOM 469 CG PRO A 34 72.347 -1.086 3.008 1.00 1.00 C ATOM 470 CD PRO A 34 71.302 -0.390 3.889 1.00 1.00 C ATOM 0 HA PRO A 34 69.426 -1.685 1.513 1.00 1.00 H new ATOM 0 HB2 PRO A 34 72.101 -2.459 1.379 1.00 1.00 H new ATOM 0 HB3 PRO A 34 71.627 -0.813 1.007 1.00 1.00 H new ATOM 0 HG2 PRO A 34 72.810 -1.917 3.539 1.00 1.00 H new ATOM 0 HG3 PRO A 34 73.146 -0.396 2.736 1.00 1.00 H new ATOM 0 HD2 PRO A 34 71.482 -0.583 4.947 1.00 1.00 H new ATOM 0 HD3 PRO A 34 71.325 0.691 3.754 1.00 1.00 H new ATOM 478 N GLY A 35 70.337 -3.820 3.789 1.00 1.00 N ATOM 479 CA GLY A 35 70.196 -5.258 4.071 1.00 1.00 C ATOM 480 C GLY A 35 68.742 -5.671 3.833 1.00 1.00 C ATOM 481 O GLY A 35 68.459 -6.507 2.975 1.00 1.00 O ATOM 0 H GLY A 35 70.684 -3.247 4.558 1.00 1.00 H new ATOM 0 HA2 GLY A 35 70.861 -5.835 3.429 1.00 1.00 H new ATOM 0 HA3 GLY A 35 70.484 -5.470 5.101 1.00 1.00 H new ATOM 485 N VAL A 36 67.823 -5.040 4.558 1.00 1.00 N ATOM 486 CA VAL A 36 66.394 -5.310 4.375 1.00 1.00 C ATOM 487 C VAL A 36 65.880 -4.287 3.384 1.00 1.00 C ATOM 488 O VAL A 36 66.593 -3.324 3.131 1.00 1.00 O ATOM 489 CB VAL A 36 65.622 -5.198 5.696 1.00 1.00 C ATOM 490 CG1 VAL A 36 65.784 -3.792 6.270 1.00 1.00 C ATOM 491 CG2 VAL A 36 64.133 -5.480 5.444 1.00 1.00 C ATOM 0 H VAL A 36 68.036 -4.344 5.272 1.00 1.00 H new ATOM 0 HA VAL A 36 66.250 -6.328 4.013 1.00 1.00 H new ATOM 0 HB VAL A 36 66.016 -5.925 6.407 1.00 1.00 H new ATOM 0 HG11 VAL A 36 65.234 -3.716 7.208 1.00 1.00 H new ATOM 0 HG12 VAL A 36 66.840 -3.592 6.451 1.00 1.00 H new ATOM 0 HG13 VAL A 36 65.393 -3.062 5.561 1.00 1.00 H new ATOM 0 HG21 VAL A 36 63.584 -5.401 6.382 1.00 1.00 H new ATOM 0 HG22 VAL A 36 63.741 -4.754 4.731 1.00 1.00 H new ATOM 0 HG23 VAL A 36 64.016 -6.485 5.039 1.00 1.00 H new ATOM 501 N ILE A 37 64.671 -4.506 2.835 1.00 1.00 N ATOM 502 CA ILE A 37 64.037 -3.605 1.853 1.00 1.00 C ATOM 503 C ILE A 37 63.870 -4.319 0.510 1.00 1.00 C ATOM 504 O ILE A 37 64.843 -4.772 -0.091 1.00 1.00 O ATOM 505 CB ILE A 37 64.808 -2.283 1.633 1.00 1.00 C ATOM 506 CG1 ILE A 37 63.870 -1.252 0.987 1.00 1.00 C ATOM 507 CG2 ILE A 37 66.023 -2.505 0.706 1.00 1.00 C ATOM 508 CD1 ILE A 37 62.804 -0.776 1.990 1.00 1.00 C ATOM 0 H ILE A 37 64.101 -5.321 3.062 1.00 1.00 H new ATOM 0 HA ILE A 37 63.066 -3.342 2.273 1.00 1.00 H new ATOM 0 HB ILE A 37 65.162 -1.923 2.599 1.00 1.00 H new ATOM 0 HG12 ILE A 37 64.449 -0.399 0.633 1.00 1.00 H new ATOM 0 HG13 ILE A 37 63.385 -1.691 0.115 1.00 1.00 H new ATOM 0 HG21 ILE A 37 66.550 -1.562 0.565 1.00 1.00 H new ATOM 0 HG22 ILE A 37 66.697 -3.234 1.157 1.00 1.00 H new ATOM 0 HG23 ILE A 37 65.681 -2.877 -0.260 1.00 1.00 H new ATOM 0 HD11 ILE A 37 62.152 -0.047 1.509 1.00 1.00 H new ATOM 0 HD12 ILE A 37 62.212 -1.628 2.323 1.00 1.00 H new ATOM 0 HD13 ILE A 37 63.292 -0.316 2.849 1.00 1.00 H new ATOM 520 N HIS A 38 62.626 -4.412 0.037 1.00 1.00 N ATOM 521 CA HIS A 38 62.343 -5.063 -1.244 1.00 1.00 C ATOM 522 C HIS A 38 61.212 -4.309 -1.952 1.00 1.00 C ATOM 523 O HIS A 38 60.209 -3.964 -1.327 1.00 1.00 O ATOM 524 CB HIS A 38 61.926 -6.532 -1.018 1.00 1.00 C ATOM 525 CG HIS A 38 62.534 -7.043 0.259 1.00 1.00 C ATOM 526 ND1 HIS A 38 61.842 -7.014 1.459 1.00 1.00 N ATOM 527 CD2 HIS A 38 63.761 -7.586 0.548 1.00 1.00 C ATOM 528 CE1 HIS A 38 62.648 -7.526 2.407 1.00 1.00 C ATOM 529 NE2 HIS A 38 63.831 -7.890 1.905 1.00 1.00 N ATOM 0 H HIS A 38 61.803 -4.048 0.518 1.00 1.00 H new ATOM 0 HA HIS A 38 63.242 -5.046 -1.861 1.00 1.00 H new ATOM 0 HB2 HIS A 38 60.840 -6.608 -0.970 1.00 1.00 H new ATOM 0 HB3 HIS A 38 62.252 -7.146 -1.858 1.00 1.00 H new ATOM 0 HD2 HIS A 38 64.552 -7.752 -0.168 1.00 1.00 H new ATOM 0 HE1 HIS A 38 62.372 -7.630 3.446 1.00 1.00 H new ATOM 0 HE2 HIS A 38 64.617 -8.302 2.408 1.00 1.00 H new ATOM 537 N THR A 39 61.368 -4.071 -3.253 1.00 1.00 N ATOM 538 CA THR A 39 60.341 -3.371 -4.034 1.00 1.00 C ATOM 539 C THR A 39 59.696 -4.348 -5.027 1.00 1.00 C ATOM 540 O THR A 39 60.359 -4.796 -5.963 1.00 1.00 O ATOM 541 CB THR A 39 60.977 -2.206 -4.799 1.00 1.00 C ATOM 542 OG1 THR A 39 61.818 -1.468 -3.923 1.00 1.00 O ATOM 543 CG2 THR A 39 59.878 -1.290 -5.342 1.00 1.00 C ATOM 0 H THR A 39 62.190 -4.349 -3.789 1.00 1.00 H new ATOM 0 HA THR A 39 59.578 -2.983 -3.359 1.00 1.00 H new ATOM 0 HB THR A 39 61.567 -2.596 -5.628 1.00 1.00 H new ATOM 0 HG1 THR A 39 62.227 -0.723 -4.412 1.00 1.00 H new ATOM 0 HG21 THR A 39 60.331 -0.461 -5.886 1.00 1.00 H new ATOM 0 HG22 THR A 39 59.232 -1.855 -6.014 1.00 1.00 H new ATOM 0 HG23 THR A 39 59.287 -0.900 -4.513 1.00 1.00 H new ATOM 551 N PRO A 40 58.439 -4.716 -4.849 1.00 1.00 N ATOM 552 CA PRO A 40 57.770 -5.685 -5.764 1.00 1.00 C ATOM 553 C PRO A 40 58.078 -5.417 -7.244 1.00 1.00 C ATOM 554 O PRO A 40 58.967 -6.032 -7.823 1.00 1.00 O ATOM 555 CB PRO A 40 56.271 -5.519 -5.438 1.00 1.00 C ATOM 556 CG PRO A 40 56.233 -5.057 -4.015 1.00 1.00 C ATOM 557 CD PRO A 40 57.522 -4.257 -3.782 1.00 1.00 C ATOM 0 HA PRO A 40 58.123 -6.705 -5.612 1.00 1.00 H new ATOM 0 HB2 PRO A 40 55.801 -4.793 -6.101 1.00 1.00 H new ATOM 0 HB3 PRO A 40 55.734 -6.459 -5.562 1.00 1.00 H new ATOM 0 HG2 PRO A 40 55.354 -4.439 -3.831 1.00 1.00 H new ATOM 0 HG3 PRO A 40 56.174 -5.905 -3.333 1.00 1.00 H new ATOM 0 HD2 PRO A 40 57.341 -3.184 -3.848 1.00 1.00 H new ATOM 0 HD3 PRO A 40 57.936 -4.450 -2.792 1.00 1.00 H new ATOM 565 N ALA A 41 57.302 -4.535 -7.849 1.00 1.00 N ATOM 566 CA ALA A 41 57.434 -4.204 -9.265 1.00 1.00 C ATOM 567 C ALA A 41 58.737 -3.487 -9.543 1.00 1.00 C ATOM 568 O ALA A 41 58.985 -2.404 -9.017 1.00 1.00 O ATOM 569 CB ALA A 41 56.272 -3.301 -9.698 1.00 1.00 C ATOM 0 H ALA A 41 56.558 -4.024 -7.374 1.00 1.00 H new ATOM 0 HA ALA A 41 57.419 -5.137 -9.828 1.00 1.00 H new ATOM 0 HB1 ALA A 41 56.375 -3.057 -10.755 1.00 1.00 H new ATOM 0 HB2 ALA A 41 55.328 -3.821 -9.536 1.00 1.00 H new ATOM 0 HB3 ALA A 41 56.286 -2.383 -9.111 1.00 1.00 H new ATOM 575 N ARG A 42 59.558 -4.080 -10.398 1.00 1.00 N ATOM 576 CA ARG A 42 60.819 -3.472 -10.767 1.00 1.00 C ATOM 577 C ARG A 42 61.488 -4.286 -11.865 1.00 1.00 C ATOM 578 O ARG A 42 61.000 -5.349 -12.252 1.00 1.00 O ATOM 579 CB ARG A 42 61.746 -3.378 -9.555 1.00 1.00 C ATOM 580 CG ARG A 42 61.912 -4.766 -8.932 1.00 1.00 C ATOM 581 CD ARG A 42 62.905 -4.707 -7.759 1.00 1.00 C ATOM 582 NE ARG A 42 64.273 -4.878 -8.254 1.00 1.00 N ATOM 583 CZ ARG A 42 65.156 -5.688 -7.657 1.00 1.00 C ATOM 584 NH1 ARG A 42 64.842 -6.331 -6.562 1.00 1.00 N ATOM 585 NH2 ARG A 42 66.348 -5.829 -8.167 1.00 1.00 N ATOM 0 H ARG A 42 59.371 -4.977 -10.845 1.00 1.00 H new ATOM 0 HA ARG A 42 60.622 -2.465 -11.135 1.00 1.00 H new ATOM 0 HB2 ARG A 42 62.717 -2.984 -9.856 1.00 1.00 H new ATOM 0 HB3 ARG A 42 61.334 -2.685 -8.821 1.00 1.00 H new ATOM 0 HG2 ARG A 42 60.947 -5.134 -8.583 1.00 1.00 H new ATOM 0 HG3 ARG A 42 62.268 -5.470 -9.684 1.00 1.00 H new ATOM 0 HD2 ARG A 42 62.813 -3.752 -7.241 1.00 1.00 H new ATOM 0 HD3 ARG A 42 62.671 -5.487 -7.034 1.00 1.00 H new ATOM 0 HE ARG A 42 64.563 -4.361 -9.084 1.00 1.00 H new ATOM 0 HH11 ARG A 42 63.915 -6.218 -6.153 1.00 1.00 H new ATOM 0 HH12 ARG A 42 65.525 -6.945 -6.118 1.00 1.00 H new ATOM 0 HH21 ARG A 42 66.603 -5.324 -9.016 1.00 1.00 H new ATOM 0 HH22 ARG A 42 67.026 -6.445 -7.717 1.00 1.00 H new ATOM 599 N ARG A 43 62.604 -3.777 -12.353 1.00 1.00 N ATOM 600 CA ARG A 43 63.312 -4.492 -13.407 1.00 1.00 C ATOM 601 C ARG A 43 63.639 -5.890 -12.874 1.00 1.00 C ATOM 602 O ARG A 43 63.494 -6.880 -13.592 1.00 1.00 O ATOM 603 CB ARG A 43 64.592 -3.742 -13.815 1.00 1.00 C ATOM 604 CG ARG A 43 65.386 -4.550 -14.887 1.00 1.00 C ATOM 605 CD ARG A 43 65.298 -3.878 -16.262 1.00 1.00 C ATOM 606 NE ARG A 43 66.085 -4.637 -17.229 1.00 1.00 N ATOM 607 CZ ARG A 43 65.650 -5.802 -17.704 1.00 1.00 C ATOM 608 NH1 ARG A 43 64.505 -6.281 -17.303 1.00 1.00 N ATOM 609 NH2 ARG A 43 66.371 -6.472 -18.562 1.00 1.00 N ATOM 0 H ARG A 43 63.032 -2.901 -12.052 1.00 1.00 H new ATOM 0 HA ARG A 43 62.692 -4.564 -14.300 1.00 1.00 H new ATOM 0 HB2 ARG A 43 64.334 -2.760 -14.210 1.00 1.00 H new ATOM 0 HB3 ARG A 43 65.218 -3.578 -12.938 1.00 1.00 H new ATOM 0 HG2 ARG A 43 66.430 -4.632 -14.585 1.00 1.00 H new ATOM 0 HG3 ARG A 43 64.991 -5.564 -14.949 1.00 1.00 H new ATOM 0 HD2 ARG A 43 64.259 -3.824 -16.586 1.00 1.00 H new ATOM 0 HD3 ARG A 43 65.666 -2.854 -16.202 1.00 1.00 H new ATOM 0 HE ARG A 43 66.982 -4.269 -17.546 1.00 1.00 H new ATOM 0 HH11 ARG A 43 63.944 -5.763 -16.626 1.00 1.00 H new ATOM 0 HH12 ARG A 43 64.170 -7.174 -17.666 1.00 1.00 H new ATOM 0 HH21 ARG A 43 67.271 -6.103 -18.870 1.00 1.00 H new ATOM 0 HH22 ARG A 43 66.035 -7.364 -18.924 1.00 1.00 H new ATOM 623 N GLY A 44 64.097 -5.969 -11.623 1.00 1.00 N ATOM 624 CA GLY A 44 64.461 -7.250 -11.012 1.00 1.00 C ATOM 625 C GLY A 44 65.917 -7.240 -10.567 1.00 1.00 C ATOM 626 O GLY A 44 66.302 -8.000 -9.674 1.00 1.00 O ATOM 0 H GLY A 44 64.225 -5.162 -11.013 1.00 1.00 H new ATOM 0 HA2 GLY A 44 63.815 -7.447 -10.156 1.00 1.00 H new ATOM 0 HA3 GLY A 44 64.299 -8.058 -11.726 1.00 1.00 H new ATOM 630 N PHE A 45 66.722 -6.351 -11.153 1.00 1.00 N ATOM 631 CA PHE A 45 68.128 -6.216 -10.774 1.00 1.00 C ATOM 632 C PHE A 45 68.571 -4.764 -11.005 1.00 1.00 C ATOM 633 O PHE A 45 68.002 -4.097 -11.847 1.00 1.00 O ATOM 634 CB PHE A 45 69.006 -7.190 -11.578 1.00 1.00 C ATOM 635 CG PHE A 45 68.931 -8.577 -10.966 1.00 1.00 C ATOM 636 CD1 PHE A 45 67.897 -9.452 -11.322 1.00 1.00 C ATOM 637 CD2 PHE A 45 69.901 -8.985 -10.037 1.00 1.00 C ATOM 638 CE1 PHE A 45 67.834 -10.731 -10.753 1.00 1.00 C ATOM 639 CE2 PHE A 45 69.835 -10.261 -9.466 1.00 1.00 C ATOM 640 CZ PHE A 45 68.801 -11.135 -9.824 1.00 1.00 C ATOM 0 H PHE A 45 66.423 -5.714 -11.892 1.00 1.00 H new ATOM 0 HA PHE A 45 68.244 -6.465 -9.719 1.00 1.00 H new ATOM 0 HB2 PHE A 45 68.673 -7.222 -12.615 1.00 1.00 H new ATOM 0 HB3 PHE A 45 70.039 -6.841 -11.585 1.00 1.00 H new ATOM 0 HD1 PHE A 45 67.148 -9.141 -12.035 1.00 1.00 H new ATOM 0 HD2 PHE A 45 70.700 -8.313 -9.762 1.00 1.00 H new ATOM 0 HE1 PHE A 45 67.038 -11.406 -11.031 1.00 1.00 H new ATOM 0 HE2 PHE A 45 70.581 -10.572 -8.750 1.00 1.00 H new ATOM 0 HZ PHE A 45 68.749 -12.120 -9.384 1.00 1.00 H new ATOM 650 N PHE A 46 69.589 -4.334 -10.242 1.00 1.00 N ATOM 651 CA PHE A 46 70.176 -2.965 -10.299 1.00 1.00 C ATOM 652 C PHE A 46 70.237 -2.351 -8.888 1.00 1.00 C ATOM 653 O PHE A 46 69.241 -1.815 -8.432 1.00 1.00 O ATOM 654 CB PHE A 46 69.394 -1.983 -11.226 1.00 1.00 C ATOM 655 CG PHE A 46 69.932 -2.018 -12.650 1.00 1.00 C ATOM 656 CD1 PHE A 46 71.255 -1.620 -12.890 1.00 1.00 C ATOM 657 CD2 PHE A 46 69.118 -2.413 -13.726 1.00 1.00 C ATOM 658 CE1 PHE A 46 71.765 -1.620 -14.194 1.00 1.00 C ATOM 659 CE2 PHE A 46 69.632 -2.411 -15.029 1.00 1.00 C ATOM 660 CZ PHE A 46 70.954 -2.015 -15.263 1.00 1.00 C ATOM 0 H PHE A 46 70.043 -4.932 -9.552 1.00 1.00 H new ATOM 0 HA PHE A 46 71.174 -3.093 -10.719 1.00 1.00 H new ATOM 0 HB2 PHE A 46 68.336 -2.246 -11.228 1.00 1.00 H new ATOM 0 HB3 PHE A 46 69.469 -0.970 -10.832 1.00 1.00 H new ATOM 0 HD1 PHE A 46 71.882 -1.313 -12.067 1.00 1.00 H new ATOM 0 HD2 PHE A 46 68.097 -2.718 -13.548 1.00 1.00 H new ATOM 0 HE1 PHE A 46 72.785 -1.315 -14.375 1.00 1.00 H new ATOM 0 HE2 PHE A 46 69.007 -2.716 -15.855 1.00 1.00 H new ATOM 0 HZ PHE A 46 71.348 -2.014 -16.269 1.00 1.00 H new ATOM 670 N ARG A 47 71.410 -2.465 -8.236 1.00 1.00 N ATOM 671 CA ARG A 47 71.691 -1.951 -6.867 1.00 1.00 C ATOM 672 C ARG A 47 71.844 -3.113 -5.900 1.00 1.00 C ATOM 673 O ARG A 47 71.433 -4.235 -6.196 1.00 1.00 O ATOM 674 CB ARG A 47 70.625 -0.976 -6.292 1.00 1.00 C ATOM 675 CG ARG A 47 70.913 0.477 -6.712 1.00 1.00 C ATOM 676 CD ARG A 47 70.587 0.701 -8.189 1.00 1.00 C ATOM 677 NE ARG A 47 69.162 0.521 -8.434 1.00 1.00 N ATOM 678 CZ ARG A 47 68.620 0.878 -9.591 1.00 1.00 C ATOM 679 NH1 ARG A 47 69.363 1.434 -10.509 1.00 1.00 N ATOM 680 NH2 ARG A 47 67.353 0.674 -9.816 1.00 1.00 N ATOM 0 H ARG A 47 72.217 -2.930 -8.653 1.00 1.00 H new ATOM 0 HA ARG A 47 72.611 -1.376 -6.970 1.00 1.00 H new ATOM 0 HB2 ARG A 47 69.635 -1.269 -6.642 1.00 1.00 H new ATOM 0 HB3 ARG A 47 70.613 -1.047 -5.204 1.00 1.00 H new ATOM 0 HG2 ARG A 47 70.323 1.159 -6.099 1.00 1.00 H new ATOM 0 HG3 ARG A 47 71.962 0.710 -6.529 1.00 1.00 H new ATOM 0 HD2 ARG A 47 70.888 1.706 -8.485 1.00 1.00 H new ATOM 0 HD3 ARG A 47 71.158 0.004 -8.802 1.00 1.00 H new ATOM 0 HE ARG A 47 68.573 0.115 -7.706 1.00 1.00 H new ATOM 0 HH11 ARG A 47 70.356 1.592 -10.335 1.00 1.00 H new ATOM 0 HH12 ARG A 47 68.951 1.710 -11.400 1.00 1.00 H new ATOM 0 HH21 ARG A 47 66.772 0.238 -9.100 1.00 1.00 H new ATOM 0 HH22 ARG A 47 66.942 0.951 -10.708 1.00 1.00 H new ATOM 694 N CYS A 48 72.478 -2.830 -4.757 1.00 1.00 N ATOM 695 CA CYS A 48 72.733 -3.846 -3.741 1.00 1.00 C ATOM 696 C CYS A 48 73.743 -4.846 -4.289 1.00 1.00 C ATOM 697 O CYS A 48 73.391 -5.978 -4.595 1.00 1.00 O ATOM 698 CB CYS A 48 71.424 -4.578 -3.336 1.00 1.00 C ATOM 699 SG CYS A 48 70.799 -3.948 -1.764 1.00 1.00 S ATOM 0 H CYS A 48 72.823 -1.901 -4.516 1.00 1.00 H new ATOM 0 HA CYS A 48 73.130 -3.362 -2.849 1.00 1.00 H new ATOM 0 HB2 CYS A 48 70.671 -4.443 -4.112 1.00 1.00 H new ATOM 0 HB3 CYS A 48 71.611 -5.649 -3.256 1.00 1.00 H new ATOM 0 HG CYS A 48 69.704 -4.575 -1.450 1.00 1.00 H new ATOM 704 N ASN A 49 75.001 -4.438 -4.440 1.00 1.00 N ATOM 705 CA ASN A 49 76.025 -5.326 -4.979 1.00 1.00 C ATOM 706 C ASN A 49 77.307 -5.195 -4.146 1.00 1.00 C ATOM 707 O ASN A 49 77.764 -4.076 -3.924 1.00 1.00 O ATOM 708 CB ASN A 49 76.323 -4.910 -6.416 1.00 1.00 C ATOM 709 CG ASN A 49 75.135 -5.241 -7.308 1.00 1.00 C ATOM 710 OD1 ASN A 49 74.183 -4.360 -7.461 1.00 1.00 O flip ATOM 711 ND2 ASN A 49 75.075 -6.331 -7.877 1.00 1.00 N flip ATOM 0 H ASN A 49 75.333 -3.504 -4.198 1.00 1.00 H new ATOM 0 HA ASN A 49 75.674 -6.358 -4.947 1.00 1.00 H new ATOM 0 HB2 ASN A 49 76.534 -3.841 -6.458 1.00 1.00 H new ATOM 0 HB3 ASN A 49 77.214 -5.425 -6.776 1.00 1.00 H new ATOM 0 HD21 ASN A 49 75.823 -7.013 -7.752 1.00 1.00 H new ATOM 0 HD22 ASN A 49 74.278 -6.552 -8.473 1.00 1.00 H new ATOM 718 N PRO A 50 77.899 -6.280 -3.681 1.00 1.00 N ATOM 719 CA PRO A 50 79.153 -6.211 -2.864 1.00 1.00 C ATOM 720 C PRO A 50 80.222 -5.280 -3.460 1.00 1.00 C ATOM 721 O PRO A 50 81.223 -5.744 -4.008 1.00 1.00 O ATOM 722 CB PRO A 50 79.653 -7.665 -2.842 1.00 1.00 C ATOM 723 CG PRO A 50 78.434 -8.510 -3.032 1.00 1.00 C ATOM 724 CD PRO A 50 77.448 -7.680 -3.861 1.00 1.00 C ATOM 0 HA PRO A 50 78.956 -5.796 -1.876 1.00 1.00 H new ATOM 0 HB2 PRO A 50 80.380 -7.842 -3.634 1.00 1.00 H new ATOM 0 HB3 PRO A 50 80.147 -7.896 -1.898 1.00 1.00 H new ATOM 0 HG2 PRO A 50 78.683 -9.440 -3.544 1.00 1.00 H new ATOM 0 HG3 PRO A 50 77.998 -8.782 -2.071 1.00 1.00 H new ATOM 0 HD2 PRO A 50 77.468 -7.972 -4.911 1.00 1.00 H new ATOM 0 HD3 PRO A 50 76.424 -7.815 -3.512 1.00 1.00 H new ATOM 732 N GLU A 51 80.026 -3.968 -3.349 1.00 1.00 N ATOM 733 CA GLU A 51 80.998 -3.015 -3.876 1.00 1.00 C ATOM 734 C GLU A 51 81.386 -3.366 -5.313 1.00 1.00 C ATOM 735 O GLU A 51 82.374 -2.850 -5.838 1.00 1.00 O ATOM 736 CB GLU A 51 82.247 -3.006 -2.984 1.00 1.00 C ATOM 737 CG GLU A 51 81.829 -3.163 -1.520 1.00 1.00 C ATOM 738 CD GLU A 51 80.772 -2.124 -1.161 1.00 1.00 C ATOM 739 OE1 GLU A 51 81.094 -0.947 -1.178 1.00 1.00 O ATOM 740 OE2 GLU A 51 79.657 -2.523 -0.870 1.00 1.00 O ATOM 0 H GLU A 51 79.212 -3.544 -2.904 1.00 1.00 H new ATOM 0 HA GLU A 51 80.544 -2.024 -3.879 1.00 1.00 H new ATOM 0 HB2 GLU A 51 82.918 -3.816 -3.271 1.00 1.00 H new ATOM 0 HB3 GLU A 51 82.797 -2.074 -3.119 1.00 1.00 H new ATOM 0 HG2 GLU A 51 81.436 -4.166 -1.352 1.00 1.00 H new ATOM 0 HG3 GLU A 51 82.698 -3.048 -0.872 1.00 1.00 H new ATOM 747 N ARG A 52 80.607 -4.249 -5.943 1.00 1.00 N ATOM 748 CA ARG A 52 80.880 -4.676 -7.325 1.00 1.00 C ATOM 749 C ARG A 52 79.749 -4.261 -8.254 1.00 1.00 C ATOM 750 O ARG A 52 78.663 -3.904 -7.798 1.00 1.00 O ATOM 751 CB ARG A 52 81.047 -6.192 -7.382 1.00 1.00 C ATOM 752 CG ARG A 52 79.742 -6.875 -6.952 1.00 1.00 C ATOM 753 CD ARG A 52 79.914 -8.393 -6.980 1.00 1.00 C ATOM 754 NE ARG A 52 81.235 -8.760 -6.464 1.00 1.00 N ATOM 755 CZ ARG A 52 81.411 -9.698 -5.530 1.00 1.00 C ATOM 756 NH1 ARG A 52 80.391 -10.338 -5.018 1.00 1.00 N ATOM 757 NH2 ARG A 52 82.618 -9.979 -5.125 1.00 1.00 N ATOM 0 H ARG A 52 79.785 -4.683 -5.524 1.00 1.00 H new ATOM 0 HA ARG A 52 81.801 -4.192 -7.652 1.00 1.00 H new ATOM 0 HB2 ARG A 52 81.313 -6.500 -8.393 1.00 1.00 H new ATOM 0 HB3 ARG A 52 81.863 -6.502 -6.729 1.00 1.00 H new ATOM 0 HG2 ARG A 52 79.465 -6.550 -5.949 1.00 1.00 H new ATOM 0 HG3 ARG A 52 78.931 -6.580 -7.618 1.00 1.00 H new ATOM 0 HD2 ARG A 52 79.137 -8.866 -6.380 1.00 1.00 H new ATOM 0 HD3 ARG A 52 79.798 -8.761 -7.999 1.00 1.00 H new ATOM 0 HE ARG A 52 82.055 -8.279 -6.834 1.00 1.00 H new ATOM 0 HH11 ARG A 52 79.444 -10.123 -5.332 1.00 1.00 H new ATOM 0 HH12 ARG A 52 80.542 -11.052 -4.305 1.00 1.00 H new ATOM 0 HH21 ARG A 52 83.417 -9.484 -5.521 1.00 1.00 H new ATOM 0 HH22 ARG A 52 82.763 -10.694 -4.412 1.00 1.00 H new ATOM 771 N ILE A 53 80.025 -4.254 -9.560 1.00 1.00 N ATOM 772 CA ILE A 53 79.038 -3.815 -10.537 1.00 1.00 C ATOM 773 C ILE A 53 77.847 -4.776 -10.751 1.00 1.00 C ATOM 774 O ILE A 53 77.964 -5.996 -10.816 1.00 1.00 O ATOM 775 CB ILE A 53 79.711 -3.569 -11.878 1.00 1.00 C ATOM 776 CG1 ILE A 53 78.709 -2.889 -12.813 1.00 1.00 C ATOM 777 CG2 ILE A 53 80.154 -4.905 -12.474 1.00 1.00 C ATOM 778 CD1 ILE A 53 79.414 -2.455 -14.097 1.00 1.00 C ATOM 0 H ILE A 53 80.917 -4.546 -9.959 1.00 1.00 H new ATOM 0 HA ILE A 53 78.618 -2.901 -10.117 1.00 1.00 H new ATOM 0 HB ILE A 53 80.584 -2.930 -11.749 1.00 1.00 H new ATOM 0 HG12 ILE A 53 77.894 -3.574 -13.048 1.00 1.00 H new ATOM 0 HG13 ILE A 53 78.266 -2.024 -12.320 1.00 1.00 H new ATOM 0 HG21 ILE A 53 80.637 -4.732 -13.436 1.00 1.00 H new ATOM 0 HG22 ILE A 53 80.857 -5.390 -11.797 1.00 1.00 H new ATOM 0 HG23 ILE A 53 79.284 -5.547 -12.615 1.00 1.00 H new ATOM 0 HD11 ILE A 53 78.697 -1.971 -14.760 1.00 1.00 H new ATOM 0 HD12 ILE A 53 80.213 -1.755 -13.854 1.00 1.00 H new ATOM 0 HD13 ILE A 53 79.835 -3.329 -14.594 1.00 1.00 H new ATOM 790 N GLN A 54 76.722 -4.100 -10.806 1.00 1.00 N ATOM 791 CA GLN A 54 75.425 -4.774 -10.982 1.00 1.00 C ATOM 792 C GLN A 54 75.262 -5.243 -12.438 1.00 1.00 C ATOM 793 O GLN A 54 74.677 -4.547 -13.264 1.00 1.00 O ATOM 794 CB GLN A 54 74.216 -3.936 -10.531 1.00 1.00 C ATOM 795 CG GLN A 54 73.091 -4.895 -10.078 1.00 1.00 C ATOM 796 CD GLN A 54 72.466 -5.562 -11.297 1.00 1.00 C ATOM 797 OE1 GLN A 54 72.351 -6.786 -11.339 1.00 1.00 O ATOM 798 NE2 GLN A 54 72.070 -4.831 -12.300 1.00 1.00 N ATOM 0 H GLN A 54 76.663 -3.084 -10.733 1.00 1.00 H new ATOM 0 HA GLN A 54 75.438 -5.640 -10.320 1.00 1.00 H new ATOM 0 HB2 GLN A 54 74.499 -3.273 -9.714 1.00 1.00 H new ATOM 0 HB3 GLN A 54 73.868 -3.304 -11.348 1.00 1.00 H new ATOM 0 HG2 GLN A 54 73.493 -5.651 -9.404 1.00 1.00 H new ATOM 0 HG3 GLN A 54 72.332 -4.344 -9.523 1.00 1.00 H new ATOM 0 HE21 GLN A 54 72.167 -3.816 -12.261 1.00 1.00 H new ATOM 0 HE22 GLN A 54 71.663 -5.273 -13.124 1.00 1.00 H new ATOM 807 N ILE A 55 75.761 -6.469 -12.719 1.00 1.00 N ATOM 808 CA ILE A 55 75.646 -7.100 -14.047 1.00 1.00 C ATOM 809 C ILE A 55 75.493 -8.625 -13.891 1.00 1.00 C ATOM 810 O ILE A 55 75.891 -9.182 -12.868 1.00 1.00 O ATOM 811 CB ILE A 55 76.891 -6.804 -14.920 1.00 1.00 C ATOM 812 CG1 ILE A 55 76.826 -5.371 -15.477 1.00 1.00 C ATOM 813 CG2 ILE A 55 76.977 -7.803 -16.091 1.00 1.00 C ATOM 814 CD1 ILE A 55 75.852 -5.270 -16.670 1.00 1.00 C ATOM 0 H ILE A 55 76.251 -7.043 -12.033 1.00 1.00 H new ATOM 0 HA ILE A 55 74.767 -6.683 -14.539 1.00 1.00 H new ATOM 0 HB ILE A 55 77.777 -6.907 -14.294 1.00 1.00 H new ATOM 0 HG12 ILE A 55 76.510 -4.688 -14.689 1.00 1.00 H new ATOM 0 HG13 ILE A 55 77.821 -5.056 -15.791 1.00 1.00 H new ATOM 0 HG21 ILE A 55 77.857 -7.581 -16.695 1.00 1.00 H new ATOM 0 HG22 ILE A 55 77.052 -8.817 -15.699 1.00 1.00 H new ATOM 0 HG23 ILE A 55 76.083 -7.718 -16.708 1.00 1.00 H new ATOM 0 HD11 ILE A 55 75.832 -4.244 -17.037 1.00 1.00 H new ATOM 0 HD12 ILE A 55 76.184 -5.935 -17.468 1.00 1.00 H new ATOM 0 HD13 ILE A 55 74.852 -5.560 -16.349 1.00 1.00 H new ATOM 826 N GLY A 56 74.915 -9.307 -14.898 1.00 1.00 N ATOM 827 CA GLY A 56 74.725 -10.768 -14.835 1.00 1.00 C ATOM 828 C GLY A 56 73.248 -11.132 -14.699 1.00 1.00 C ATOM 829 O GLY A 56 72.885 -12.310 -14.674 1.00 1.00 O ATOM 0 H GLY A 56 74.575 -8.875 -15.757 1.00 1.00 H new ATOM 0 HA2 GLY A 56 75.134 -11.229 -15.734 1.00 1.00 H new ATOM 0 HA3 GLY A 56 75.281 -11.173 -13.989 1.00 1.00 H new ATOM 833 N ASP A 57 72.405 -10.109 -14.613 1.00 1.00 N ATOM 834 CA ASP A 57 70.961 -10.322 -14.475 1.00 1.00 C ATOM 835 C ASP A 57 70.285 -10.459 -15.836 1.00 1.00 C ATOM 836 O ASP A 57 70.115 -9.484 -16.569 1.00 1.00 O ATOM 837 CB ASP A 57 70.330 -9.168 -13.709 1.00 1.00 C ATOM 838 CG ASP A 57 70.595 -7.854 -14.434 1.00 1.00 C ATOM 839 OD1 ASP A 57 71.753 -7.560 -14.679 1.00 1.00 O ATOM 840 OD2 ASP A 57 69.636 -7.167 -14.741 1.00 1.00 O ATOM 0 H ASP A 57 72.689 -9.130 -14.636 1.00 1.00 H new ATOM 0 HA ASP A 57 70.816 -11.251 -13.924 1.00 1.00 H new ATOM 0 HB2 ASP A 57 69.256 -9.329 -13.612 1.00 1.00 H new ATOM 0 HB3 ASP A 57 70.738 -9.125 -12.699 1.00 1.00 H new ATOM 845 N TRP A 58 69.938 -11.695 -16.159 1.00 1.00 N ATOM 846 CA TRP A 58 69.306 -12.016 -17.438 1.00 1.00 C ATOM 847 C TRP A 58 67.744 -11.914 -17.373 1.00 1.00 C ATOM 848 O TRP A 58 67.132 -11.676 -16.333 1.00 1.00 O ATOM 849 CB TRP A 58 69.778 -13.393 -17.932 1.00 1.00 C ATOM 850 CG TRP A 58 71.070 -13.317 -18.725 1.00 1.00 C ATOM 851 CD1 TRP A 58 72.032 -12.369 -18.581 1.00 1.00 C ATOM 852 CD2 TRP A 58 71.566 -14.236 -19.758 1.00 1.00 C ATOM 853 NE1 TRP A 58 73.078 -12.651 -19.450 1.00 1.00 N ATOM 854 CE2 TRP A 58 72.837 -13.787 -20.197 1.00 1.00 C ATOM 855 CE3 TRP A 58 71.042 -15.403 -20.352 1.00 1.00 C ATOM 856 CZ2 TRP A 58 73.561 -14.470 -21.182 1.00 1.00 C ATOM 857 CZ3 TRP A 58 71.768 -16.089 -21.345 1.00 1.00 C ATOM 858 CH2 TRP A 58 73.024 -15.625 -21.757 1.00 1.00 C ATOM 0 H TRP A 58 70.083 -12.501 -15.551 1.00 1.00 H new ATOM 0 HA TRP A 58 69.621 -11.268 -18.166 1.00 1.00 H new ATOM 0 HB2 TRP A 58 69.920 -14.053 -17.076 1.00 1.00 H new ATOM 0 HB3 TRP A 58 69.001 -13.838 -18.553 1.00 1.00 H new ATOM 0 HD1 TRP A 58 71.990 -11.531 -17.901 1.00 1.00 H new ATOM 0 HE1 TRP A 58 73.924 -12.086 -19.527 1.00 1.00 H new ATOM 0 HE3 TRP A 58 70.076 -15.774 -20.043 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 74.528 -14.106 -21.495 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 71.353 -16.980 -21.792 1.00 1.00 H new ATOM 0 HH2 TRP A 58 73.576 -16.158 -22.517 1.00 1.00 H new ATOM 869 N ARG A 59 67.213 -12.030 -18.566 1.00 1.00 N ATOM 870 CA ARG A 59 65.746 -11.902 -18.794 1.00 1.00 C ATOM 871 C ARG A 59 64.934 -13.154 -18.376 1.00 1.00 C ATOM 872 O ARG A 59 64.072 -13.085 -17.497 1.00 1.00 O ATOM 873 CB ARG A 59 65.406 -11.571 -20.256 1.00 1.00 C ATOM 874 CG ARG A 59 66.404 -10.533 -20.843 1.00 1.00 C ATOM 875 CD ARG A 59 67.174 -11.157 -22.010 1.00 1.00 C ATOM 876 NE ARG A 59 67.642 -12.487 -21.641 1.00 1.00 N ATOM 877 CZ ARG A 59 68.421 -13.186 -22.451 1.00 1.00 C ATOM 878 NH1 ARG A 59 68.814 -12.666 -23.578 1.00 1.00 N ATOM 879 NH2 ARG A 59 68.795 -14.391 -22.117 1.00 1.00 N ATOM 0 H ARG A 59 67.754 -12.213 -19.411 1.00 1.00 H new ATOM 0 HA ARG A 59 65.454 -11.074 -18.149 1.00 1.00 H new ATOM 0 HB2 ARG A 59 65.431 -12.482 -20.854 1.00 1.00 H new ATOM 0 HB3 ARG A 59 64.391 -11.178 -20.316 1.00 1.00 H new ATOM 0 HG2 ARG A 59 65.865 -9.648 -21.182 1.00 1.00 H new ATOM 0 HG3 ARG A 59 67.099 -10.206 -20.070 1.00 1.00 H new ATOM 0 HD2 ARG A 59 66.532 -11.219 -22.889 1.00 1.00 H new ATOM 0 HD3 ARG A 59 68.021 -10.525 -22.277 1.00 1.00 H new ATOM 0 HE ARG A 59 67.365 -12.886 -20.744 1.00 1.00 H new ATOM 0 HH11 ARG A 59 68.521 -11.723 -23.834 1.00 1.00 H new ATOM 0 HH12 ARG A 59 69.414 -13.202 -24.205 1.00 1.00 H new ATOM 0 HH21 ARG A 59 68.487 -14.794 -21.232 1.00 1.00 H new ATOM 0 HH22 ARG A 59 69.395 -14.930 -22.741 1.00 1.00 H new ATOM 893 N TYR A 60 65.221 -14.269 -19.019 1.00 1.00 N ATOM 894 CA TYR A 60 64.544 -15.566 -18.773 1.00 1.00 C ATOM 895 C TYR A 60 65.242 -16.402 -17.710 1.00 1.00 C ATOM 896 O TYR A 60 64.738 -17.443 -17.242 1.00 1.00 O ATOM 897 CB TYR A 60 64.414 -16.373 -20.078 1.00 1.00 C ATOM 898 CG TYR A 60 63.165 -17.235 -20.026 1.00 1.00 C ATOM 899 CD1 TYR A 60 61.906 -16.645 -20.217 1.00 1.00 C ATOM 900 CD2 TYR A 60 63.261 -18.610 -19.778 1.00 1.00 C ATOM 901 CE1 TYR A 60 60.748 -17.431 -20.163 1.00 1.00 C ATOM 902 CE2 TYR A 60 62.100 -19.395 -19.722 1.00 1.00 C ATOM 903 CZ TYR A 60 60.843 -18.805 -19.915 1.00 1.00 C ATOM 904 OH TYR A 60 59.700 -19.578 -19.859 1.00 1.00 O ATOM 0 H TYR A 60 65.939 -14.320 -19.742 1.00 1.00 H new ATOM 0 HA TYR A 60 63.549 -15.328 -18.396 1.00 1.00 H new ATOM 0 HB2 TYR A 60 64.365 -15.697 -20.931 1.00 1.00 H new ATOM 0 HB3 TYR A 60 65.294 -17.000 -20.218 1.00 1.00 H new ATOM 0 HD1 TYR A 60 61.830 -15.584 -20.406 1.00 1.00 H new ATOM 0 HD2 TYR A 60 64.229 -19.066 -19.630 1.00 1.00 H new ATOM 0 HE1 TYR A 60 59.780 -16.976 -20.313 1.00 1.00 H new ATOM 0 HE2 TYR A 60 62.174 -20.455 -19.530 1.00 1.00 H new ATOM 0 HH TYR A 60 59.944 -20.510 -19.679 1.00 1.00 H new ATOM 914 N GLU A 61 66.403 -15.944 -17.325 1.00 1.00 N ATOM 915 CA GLU A 61 67.192 -16.622 -16.334 1.00 1.00 C ATOM 916 C GLU A 61 66.655 -16.331 -14.944 1.00 1.00 C ATOM 917 O GLU A 61 67.048 -16.965 -13.987 1.00 1.00 O ATOM 918 CB GLU A 61 68.642 -16.153 -16.461 1.00 1.00 C ATOM 919 CG GLU A 61 69.639 -17.291 -16.206 1.00 1.00 C ATOM 920 CD GLU A 61 71.002 -16.707 -15.832 1.00 1.00 C ATOM 921 OE1 GLU A 61 71.026 -15.756 -15.066 1.00 1.00 O ATOM 922 OE2 GLU A 61 71.999 -17.209 -16.323 1.00 1.00 O ATOM 0 H GLU A 61 66.827 -15.091 -17.690 1.00 1.00 H new ATOM 0 HA GLU A 61 67.142 -17.699 -16.492 1.00 1.00 H new ATOM 0 HB2 GLU A 61 68.805 -15.745 -17.459 1.00 1.00 H new ATOM 0 HB3 GLU A 61 68.825 -15.345 -15.752 1.00 1.00 H new ATOM 0 HG2 GLU A 61 69.275 -17.933 -15.404 1.00 1.00 H new ATOM 0 HG3 GLU A 61 69.731 -17.913 -17.096 1.00 1.00 H new ATOM 929 N VAL A 62 65.799 -15.328 -14.805 1.00 1.00 N ATOM 930 CA VAL A 62 65.315 -14.971 -13.470 1.00 1.00 C ATOM 931 C VAL A 62 64.866 -16.218 -12.755 1.00 1.00 C ATOM 932 O VAL A 62 65.320 -16.505 -11.677 1.00 1.00 O ATOM 933 CB VAL A 62 64.146 -13.975 -13.545 1.00 1.00 C ATOM 934 CG1 VAL A 62 64.678 -12.605 -13.967 1.00 1.00 C ATOM 935 CG2 VAL A 62 63.084 -14.457 -14.553 1.00 1.00 C ATOM 0 H VAL A 62 65.433 -14.761 -15.569 1.00 1.00 H new ATOM 0 HA VAL A 62 66.131 -14.496 -12.926 1.00 1.00 H new ATOM 0 HB VAL A 62 63.679 -13.903 -12.563 1.00 1.00 H new ATOM 0 HG11 VAL A 62 63.853 -11.895 -14.022 1.00 1.00 H new ATOM 0 HG12 VAL A 62 65.408 -12.257 -13.236 1.00 1.00 H new ATOM 0 HG13 VAL A 62 65.153 -12.685 -14.945 1.00 1.00 H new ATOM 0 HG21 VAL A 62 62.266 -13.738 -14.591 1.00 1.00 H new ATOM 0 HG22 VAL A 62 63.535 -14.546 -15.541 1.00 1.00 H new ATOM 0 HG23 VAL A 62 62.700 -15.428 -14.240 1.00 1.00 H new ATOM 945 N ALA A 63 63.969 -16.956 -13.333 1.00 1.00 N ATOM 946 CA ALA A 63 63.514 -18.164 -12.699 1.00 1.00 C ATOM 947 C ALA A 63 64.679 -19.138 -12.573 1.00 1.00 C ATOM 948 O ALA A 63 65.010 -19.607 -11.482 1.00 1.00 O ATOM 949 CB ALA A 63 62.415 -18.792 -13.560 1.00 1.00 C ATOM 0 H ALA A 63 63.538 -16.750 -14.234 1.00 1.00 H new ATOM 0 HA ALA A 63 63.123 -17.938 -11.707 1.00 1.00 H new ATOM 0 HB1 ALA A 63 62.063 -19.709 -13.088 1.00 1.00 H new ATOM 0 HB2 ALA A 63 61.585 -18.092 -13.658 1.00 1.00 H new ATOM 0 HB3 ALA A 63 62.814 -19.022 -14.548 1.00 1.00 H new ATOM 955 N HIS A 64 65.313 -19.416 -13.707 1.00 1.00 N ATOM 956 CA HIS A 64 66.439 -20.350 -13.711 1.00 1.00 C ATOM 957 C HIS A 64 67.460 -19.961 -12.618 1.00 1.00 C ATOM 958 O HIS A 64 67.729 -20.717 -11.686 1.00 1.00 O ATOM 959 CB HIS A 64 67.086 -20.334 -15.119 1.00 1.00 C ATOM 960 CG HIS A 64 67.211 -21.731 -15.674 1.00 1.00 C ATOM 961 ND1 HIS A 64 66.199 -22.323 -16.413 1.00 1.00 N ATOM 962 CD2 HIS A 64 68.218 -22.660 -15.604 1.00 1.00 C ATOM 963 CE1 HIS A 64 66.615 -23.555 -16.756 1.00 1.00 C ATOM 964 NE2 HIS A 64 67.840 -23.812 -16.288 1.00 1.00 N ATOM 0 H HIS A 64 65.076 -19.020 -14.617 1.00 1.00 H new ATOM 0 HA HIS A 64 66.093 -21.359 -13.488 1.00 1.00 H new ATOM 0 HB2 HIS A 64 66.484 -19.724 -15.793 1.00 1.00 H new ATOM 0 HB3 HIS A 64 68.071 -19.871 -15.065 1.00 1.00 H new ATOM 0 HD2 HIS A 64 69.160 -22.519 -15.096 1.00 1.00 H new ATOM 0 HE1 HIS A 64 66.030 -24.252 -17.339 1.00 1.00 H new ATOM 0 HE2 HIS A 64 68.382 -24.668 -16.406 1.00 1.00 H new ATOM 972 N ASP A 65 67.979 -18.761 -12.726 1.00 1.00 N ATOM 973 CA ASP A 65 68.936 -18.244 -11.755 1.00 1.00 C ATOM 974 C ASP A 65 68.255 -17.904 -10.418 1.00 1.00 C ATOM 975 O ASP A 65 68.642 -18.392 -9.339 1.00 1.00 O ATOM 976 CB ASP A 65 69.594 -16.993 -12.336 1.00 1.00 C ATOM 977 CG ASP A 65 70.836 -16.640 -11.551 1.00 1.00 C ATOM 978 OD1 ASP A 65 71.696 -17.501 -11.432 1.00 1.00 O ATOM 979 OD2 ASP A 65 70.915 -15.513 -11.092 1.00 1.00 O ATOM 0 H ASP A 65 67.757 -18.113 -13.482 1.00 1.00 H new ATOM 0 HA ASP A 65 69.685 -19.011 -11.557 1.00 1.00 H new ATOM 0 HB2 ASP A 65 69.852 -17.162 -13.381 1.00 1.00 H new ATOM 0 HB3 ASP A 65 68.891 -16.160 -12.312 1.00 1.00 H new ATOM 984 N GLY A 66 67.178 -17.142 -10.472 1.00 1.00 N ATOM 985 CA GLY A 66 66.421 -16.796 -9.276 1.00 1.00 C ATOM 986 C GLY A 66 65.690 -18.007 -8.724 1.00 1.00 C ATOM 987 O GLY A 66 64.648 -17.881 -8.089 1.00 1.00 O ATOM 0 H GLY A 66 66.804 -16.747 -11.335 1.00 1.00 H new ATOM 0 HA2 GLY A 66 67.095 -16.397 -8.518 1.00 1.00 H new ATOM 0 HA3 GLY A 66 65.704 -16.010 -9.510 1.00 1.00 H new ATOM 991 N ARG A 67 66.262 -19.171 -8.949 1.00 1.00 N ATOM 992 CA ARG A 67 65.730 -20.417 -8.434 1.00 1.00 C ATOM 993 C ARG A 67 66.106 -20.516 -6.963 1.00 1.00 C ATOM 994 O ARG A 67 65.951 -21.574 -6.354 1.00 1.00 O ATOM 995 CB ARG A 67 66.210 -21.664 -9.205 1.00 1.00 C ATOM 996 CG ARG A 67 65.245 -22.022 -10.372 1.00 1.00 C ATOM 997 CD ARG A 67 64.760 -23.466 -10.233 1.00 1.00 C ATOM 998 NE ARG A 67 65.887 -24.394 -10.246 1.00 1.00 N ATOM 999 CZ ARG A 67 65.745 -25.636 -10.700 1.00 1.00 C ATOM 1000 NH1 ARG A 67 64.575 -26.045 -11.112 1.00 1.00 N ATOM 1001 NH2 ARG A 67 66.765 -26.448 -10.724 1.00 1.00 N ATOM 0 H ARG A 67 67.115 -19.281 -9.498 1.00 1.00 H new ATOM 0 HA ARG A 67 64.648 -20.401 -8.565 1.00 1.00 H new ATOM 0 HB2 ARG A 67 67.210 -21.485 -9.601 1.00 1.00 H new ATOM 0 HB3 ARG A 67 66.284 -22.509 -8.521 1.00 1.00 H new ATOM 0 HG2 ARG A 67 64.393 -21.343 -10.370 1.00 1.00 H new ATOM 0 HG3 ARG A 67 65.754 -21.892 -11.327 1.00 1.00 H new ATOM 0 HD2 ARG A 67 64.201 -23.579 -9.304 1.00 1.00 H new ATOM 0 HD3 ARG A 67 64.077 -23.705 -11.048 1.00 1.00 H new ATOM 0 HE ARG A 67 66.796 -24.085 -9.902 1.00 1.00 H new ATOM 0 HH11 ARG A 67 63.775 -25.413 -11.085 1.00 1.00 H new ATOM 0 HH12 ARG A 67 64.461 -26.997 -11.461 1.00 1.00 H new ATOM 0 HH21 ARG A 67 67.677 -26.132 -10.394 1.00 1.00 H new ATOM 0 HH22 ARG A 67 66.651 -27.400 -11.073 1.00 1.00 H new ATOM 1015 N LEU A 68 66.662 -19.413 -6.414 1.00 1.00 N ATOM 1016 CA LEU A 68 67.107 -19.403 -4.999 1.00 1.00 C ATOM 1017 C LEU A 68 66.159 -20.280 -4.175 1.00 1.00 C ATOM 1018 O LEU A 68 66.533 -20.858 -3.159 1.00 1.00 O ATOM 1019 CB LEU A 68 67.147 -17.973 -4.379 1.00 1.00 C ATOM 1020 CG LEU A 68 65.729 -17.377 -4.221 1.00 1.00 C ATOM 1021 CD1 LEU A 68 65.814 -15.978 -3.587 1.00 1.00 C ATOM 1022 CD2 LEU A 68 65.066 -17.264 -5.592 1.00 1.00 C ATOM 0 H LEU A 68 66.812 -18.537 -6.914 1.00 1.00 H new ATOM 0 HA LEU A 68 68.126 -19.789 -4.978 1.00 1.00 H new ATOM 0 HB2 LEU A 68 67.636 -18.012 -3.405 1.00 1.00 H new ATOM 0 HB3 LEU A 68 67.748 -17.319 -5.011 1.00 1.00 H new ATOM 0 HG LEU A 68 65.140 -18.031 -3.578 1.00 1.00 H new ATOM 0 HD11 LEU A 68 64.811 -15.566 -3.479 1.00 1.00 H new ATOM 0 HD12 LEU A 68 66.283 -16.051 -2.606 1.00 1.00 H new ATOM 0 HD13 LEU A 68 66.408 -15.325 -4.226 1.00 1.00 H new ATOM 0 HD21 LEU A 68 64.067 -16.844 -5.479 1.00 1.00 H new ATOM 0 HD22 LEU A 68 65.663 -16.614 -6.232 1.00 1.00 H new ATOM 0 HD23 LEU A 68 64.995 -18.253 -6.044 1.00 1.00 H new ATOM 1034 N LEU A 69 64.918 -20.384 -4.629 1.00 1.00 N ATOM 1035 CA LEU A 69 63.963 -21.235 -3.898 1.00 1.00 C ATOM 1036 C LEU A 69 64.461 -22.688 -3.985 1.00 1.00 C ATOM 1037 O LEU A 69 64.864 -23.268 -2.979 1.00 1.00 O ATOM 1038 CB LEU A 69 62.562 -21.108 -4.542 1.00 1.00 C ATOM 1039 CG LEU A 69 61.650 -20.220 -3.678 1.00 1.00 C ATOM 1040 CD1 LEU A 69 60.516 -19.662 -4.537 1.00 1.00 C ATOM 1041 CD2 LEU A 69 61.054 -21.053 -2.536 1.00 1.00 C ATOM 0 H LEU A 69 64.551 -19.918 -5.459 1.00 1.00 H new ATOM 0 HA LEU A 69 63.892 -20.928 -2.854 1.00 1.00 H new ATOM 0 HB2 LEU A 69 62.652 -20.683 -5.542 1.00 1.00 H new ATOM 0 HB3 LEU A 69 62.116 -22.096 -4.655 1.00 1.00 H new ATOM 0 HG LEU A 69 62.235 -19.398 -3.265 1.00 1.00 H new ATOM 0 HD11 LEU A 69 59.871 -19.033 -3.924 1.00 1.00 H new ATOM 0 HD12 LEU A 69 60.934 -19.069 -5.351 1.00 1.00 H new ATOM 0 HD13 LEU A 69 59.934 -20.485 -4.950 1.00 1.00 H new ATOM 0 HD21 LEU A 69 60.408 -20.423 -1.925 1.00 1.00 H new ATOM 0 HD22 LEU A 69 60.471 -21.875 -2.951 1.00 1.00 H new ATOM 0 HD23 LEU A 69 61.859 -21.454 -1.920 1.00 1.00 H new ATOM 1053 N ALA A 70 64.481 -23.250 -5.198 1.00 1.00 N ATOM 1054 CA ALA A 70 65.014 -24.612 -5.334 1.00 1.00 C ATOM 1055 C ALA A 70 66.525 -24.451 -5.303 1.00 1.00 C ATOM 1056 O ALA A 70 67.163 -24.738 -4.294 1.00 1.00 O ATOM 1057 CB ALA A 70 64.557 -25.263 -6.645 1.00 1.00 C ATOM 0 H ALA A 70 64.153 -22.812 -6.059 1.00 1.00 H new ATOM 0 HA ALA A 70 64.656 -25.265 -4.538 1.00 1.00 H new ATOM 0 HB1 ALA A 70 64.969 -26.270 -6.714 1.00 1.00 H new ATOM 0 HB2 ALA A 70 63.468 -25.314 -6.666 1.00 1.00 H new ATOM 0 HB3 ALA A 70 64.908 -24.668 -7.488 1.00 1.00 H new ATOM 1063 N ALA A 71 67.082 -23.965 -6.412 1.00 1.00 N ATOM 1064 CA ALA A 71 68.506 -23.706 -6.580 1.00 1.00 C ATOM 1065 C ALA A 71 69.136 -23.000 -5.391 1.00 1.00 C ATOM 1066 O ALA A 71 70.312 -22.647 -5.455 1.00 1.00 O ATOM 1067 CB ALA A 71 68.741 -22.880 -7.845 1.00 1.00 C ATOM 0 H ALA A 71 66.535 -23.735 -7.242 1.00 1.00 H new ATOM 0 HA ALA A 71 68.988 -24.680 -6.663 1.00 1.00 H new ATOM 0 HB1 ALA A 71 69.808 -22.691 -7.963 1.00 1.00 H new ATOM 0 HB2 ALA A 71 68.372 -23.428 -8.712 1.00 1.00 H new ATOM 0 HB3 ALA A 71 68.211 -21.931 -7.763 1.00 1.00 H new ATOM 1073 N HIS A 72 68.374 -22.774 -4.319 1.00 1.00 N ATOM 1074 CA HIS A 72 68.875 -22.093 -3.129 1.00 1.00 C ATOM 1075 C HIS A 72 70.374 -22.294 -2.946 1.00 1.00 C ATOM 1076 O HIS A 72 71.125 -21.323 -2.885 1.00 1.00 O ATOM 1077 CB HIS A 72 68.072 -22.651 -1.926 1.00 1.00 C ATOM 1078 CG HIS A 72 68.775 -23.838 -1.295 1.00 1.00 C ATOM 1079 ND1 HIS A 72 68.957 -25.140 -1.714 1.00 1.00 N flip ATOM 1080 CD2 HIS A 72 69.424 -23.745 -0.077 1.00 1.00 C flip ATOM 1081 CE1 HIS A 72 69.707 -25.836 -0.769 1.00 1.00 C flip ATOM 1082 NE2 HIS A 72 69.959 -24.948 0.197 1.00 1.00 N flip ATOM 0 H HIS A 72 67.396 -23.058 -4.254 1.00 1.00 H new ATOM 0 HA HIS A 72 68.737 -21.016 -3.220 1.00 1.00 H new ATOM 0 HB2 HIS A 72 67.938 -21.867 -1.181 1.00 1.00 H new ATOM 0 HB3 HIS A 72 67.077 -22.949 -2.257 1.00 1.00 H new ATOM 0 HD1 HIS A 72 68.597 -25.533 -2.584 1.00 1.00 H new ATOM 0 HD2 HIS A 72 69.489 -22.863 0.543 1.00 1.00 H new ATOM 0 HE1 HIS A 72 70.018 -26.870 -0.809 1.00 1.00 H new ATOM 1090 N MET A 73 70.814 -23.534 -2.909 1.00 1.00 N ATOM 1091 CA MET A 73 72.230 -23.791 -2.797 1.00 1.00 C ATOM 1092 C MET A 73 72.875 -23.555 -4.163 1.00 1.00 C ATOM 1093 O MET A 73 73.875 -22.849 -4.270 1.00 1.00 O ATOM 1094 CB MET A 73 72.476 -25.212 -2.291 1.00 1.00 C ATOM 1095 CG MET A 73 71.755 -26.245 -3.180 1.00 1.00 C ATOM 1096 SD MET A 73 72.923 -26.918 -4.389 1.00 1.00 S ATOM 1097 CE MET A 73 73.890 -27.947 -3.252 1.00 1.00 C ATOM 0 H MET A 73 70.223 -24.364 -2.954 1.00 1.00 H new ATOM 0 HA MET A 73 72.681 -23.114 -2.072 1.00 1.00 H new ATOM 0 HB2 MET A 73 73.546 -25.419 -2.281 1.00 1.00 H new ATOM 0 HB3 MET A 73 72.124 -25.302 -1.263 1.00 1.00 H new ATOM 0 HG2 MET A 73 71.347 -27.048 -2.566 1.00 1.00 H new ATOM 0 HG3 MET A 73 70.914 -25.777 -3.692 1.00 1.00 H new ATOM 0 HE1 MET A 73 74.919 -27.589 -3.223 1.00 1.00 H new ATOM 0 HE2 MET A 73 73.458 -27.890 -2.253 1.00 1.00 H new ATOM 0 HE3 MET A 73 73.875 -28.981 -3.595 1.00 1.00 H new ATOM 1107 N VAL A 74 72.339 -24.217 -5.197 1.00 1.00 N ATOM 1108 CA VAL A 74 72.933 -24.127 -6.529 1.00 1.00 C ATOM 1109 C VAL A 74 73.295 -22.673 -6.867 1.00 1.00 C ATOM 1110 O VAL A 74 74.379 -22.464 -7.411 1.00 1.00 O ATOM 1111 CB VAL A 74 72.000 -24.726 -7.585 1.00 1.00 C ATOM 1112 CG1 VAL A 74 72.539 -24.433 -8.983 1.00 1.00 C ATOM 1113 CG2 VAL A 74 71.891 -26.244 -7.400 1.00 1.00 C ATOM 0 H VAL A 74 71.511 -24.809 -5.136 1.00 1.00 H new ATOM 0 HA VAL A 74 73.854 -24.710 -6.531 1.00 1.00 H new ATOM 0 HB VAL A 74 71.014 -24.276 -7.468 1.00 1.00 H new ATOM 0 HG11 VAL A 74 71.870 -24.862 -9.728 1.00 1.00 H new ATOM 0 HG12 VAL A 74 72.602 -23.355 -9.130 1.00 1.00 H new ATOM 0 HG13 VAL A 74 73.531 -24.872 -9.090 1.00 1.00 H new ATOM 0 HG21 VAL A 74 71.224 -26.656 -8.158 1.00 1.00 H new ATOM 0 HG22 VAL A 74 72.878 -26.695 -7.501 1.00 1.00 H new ATOM 0 HG23 VAL A 74 71.493 -26.462 -6.409 1.00 1.00 H new ATOM 1123 N ASN A 75 72.451 -21.653 -6.554 1.00 1.00 N ATOM 1124 CA ASN A 75 72.768 -20.220 -6.828 1.00 1.00 C ATOM 1125 C ASN A 75 74.261 -19.897 -6.661 1.00 1.00 C ATOM 1126 O ASN A 75 74.766 -18.887 -7.146 1.00 1.00 O ATOM 1127 CB ASN A 75 71.945 -19.382 -5.830 1.00 1.00 C ATOM 1128 CG ASN A 75 71.571 -18.023 -6.411 1.00 1.00 C ATOM 1129 OD1 ASN A 75 72.116 -16.997 -5.998 1.00 1.00 O ATOM 1130 ND2 ASN A 75 70.660 -17.954 -7.339 1.00 1.00 N ATOM 0 H ASN A 75 71.543 -21.795 -6.111 1.00 1.00 H new ATOM 0 HA ASN A 75 72.519 -19.993 -7.865 1.00 1.00 H new ATOM 0 HB2 ASN A 75 71.039 -19.924 -5.559 1.00 1.00 H new ATOM 0 HB3 ASN A 75 72.518 -19.241 -4.913 1.00 1.00 H new ATOM 0 HD21 ASN A 75 70.395 -17.049 -7.727 1.00 1.00 H new ATOM 0 HD22 ASN A 75 70.212 -18.805 -7.678 1.00 1.00 H new ATOM 1137 N GLY A 76 74.926 -20.821 -6.033 1.00 1.00 N ATOM 1138 CA GLY A 76 76.373 -20.760 -5.841 1.00 1.00 C ATOM 1139 C GLY A 76 77.009 -20.319 -7.176 1.00 1.00 C ATOM 1140 O GLY A 76 78.132 -19.846 -7.223 1.00 1.00 O ATOM 0 H GLY A 76 74.490 -21.651 -5.631 1.00 1.00 H new ATOM 0 HA2 GLY A 76 76.624 -20.056 -5.048 1.00 1.00 H new ATOM 0 HA3 GLY A 76 76.759 -21.733 -5.537 1.00 1.00 H new ATOM 1144 N ILE A 77 76.244 -20.479 -8.260 1.00 1.00 N ATOM 1145 CA ILE A 77 76.709 -20.068 -9.581 1.00 1.00 C ATOM 1146 C ILE A 77 76.697 -18.533 -9.623 1.00 1.00 C ATOM 1147 O ILE A 77 77.674 -17.893 -9.929 1.00 1.00 O ATOM 1148 CB ILE A 77 75.813 -20.670 -10.692 1.00 1.00 C ATOM 1149 CG1 ILE A 77 74.374 -20.884 -10.180 1.00 1.00 C ATOM 1150 CG2 ILE A 77 76.384 -22.022 -11.145 1.00 1.00 C ATOM 1151 CD1 ILE A 77 73.404 -20.922 -11.368 1.00 1.00 C ATOM 0 H ILE A 77 75.309 -20.887 -8.246 1.00 1.00 H new ATOM 0 HA ILE A 77 77.719 -20.436 -9.760 1.00 1.00 H new ATOM 0 HB ILE A 77 75.794 -19.971 -11.528 1.00 1.00 H new ATOM 0 HG12 ILE A 77 74.312 -21.816 -9.618 1.00 1.00 H new ATOM 0 HG13 ILE A 77 74.097 -20.081 -9.497 1.00 1.00 H new ATOM 0 HG21 ILE A 77 75.750 -22.441 -11.926 1.00 1.00 H new ATOM 0 HG22 ILE A 77 77.392 -21.879 -11.533 1.00 1.00 H new ATOM 0 HG23 ILE A 77 76.415 -22.706 -10.297 1.00 1.00 H new ATOM 0 HD11 ILE A 77 72.388 -21.073 -11.003 1.00 1.00 H new ATOM 0 HD12 ILE A 77 73.458 -19.979 -11.912 1.00 1.00 H new ATOM 0 HD13 ILE A 77 73.676 -21.741 -12.034 1.00 1.00 H new ATOM 1163 N VAL A 78 75.529 -18.015 -9.318 1.00 1.00 N ATOM 1164 CA VAL A 78 75.309 -16.564 -9.337 1.00 1.00 C ATOM 1165 C VAL A 78 76.633 -15.906 -8.905 1.00 1.00 C ATOM 1166 O VAL A 78 77.056 -14.891 -9.458 1.00 1.00 O ATOM 1167 CB VAL A 78 74.187 -16.132 -8.405 1.00 1.00 C ATOM 1168 CG1 VAL A 78 74.195 -14.602 -8.289 1.00 1.00 C ATOM 1169 CG2 VAL A 78 72.876 -16.576 -9.012 1.00 1.00 C ATOM 0 H VAL A 78 74.711 -18.564 -9.053 1.00 1.00 H new ATOM 0 HA VAL A 78 75.008 -16.257 -10.339 1.00 1.00 H new ATOM 0 HB VAL A 78 74.318 -16.573 -7.417 1.00 1.00 H new ATOM 0 HG11 VAL A 78 73.394 -14.283 -7.622 1.00 1.00 H new ATOM 0 HG12 VAL A 78 75.153 -14.273 -7.888 1.00 1.00 H new ATOM 0 HG13 VAL A 78 74.044 -14.162 -9.275 1.00 1.00 H new ATOM 0 HG21 VAL A 78 72.054 -16.277 -8.361 1.00 1.00 H new ATOM 0 HG22 VAL A 78 72.752 -16.111 -9.990 1.00 1.00 H new ATOM 0 HG23 VAL A 78 72.875 -17.660 -9.123 1.00 1.00 H new ATOM 1179 N ILE A 79 77.308 -16.554 -7.945 1.00 1.00 N ATOM 1180 CA ILE A 79 78.613 -16.103 -7.468 1.00 1.00 C ATOM 1181 C ILE A 79 79.774 -16.872 -8.142 1.00 1.00 C ATOM 1182 O ILE A 79 80.812 -16.315 -8.406 1.00 1.00 O ATOM 1183 CB ILE A 79 78.695 -16.273 -5.943 1.00 1.00 C ATOM 1184 CG1 ILE A 79 78.477 -17.738 -5.586 1.00 1.00 C ATOM 1185 CG2 ILE A 79 77.627 -15.414 -5.260 1.00 1.00 C ATOM 1186 CD1 ILE A 79 78.514 -17.922 -4.073 1.00 1.00 C ATOM 0 H ILE A 79 76.965 -17.397 -7.484 1.00 1.00 H new ATOM 0 HA ILE A 79 78.716 -15.051 -7.732 1.00 1.00 H new ATOM 0 HB ILE A 79 79.679 -15.954 -5.599 1.00 1.00 H new ATOM 0 HG12 ILE A 79 77.518 -18.076 -5.978 1.00 1.00 H new ATOM 0 HG13 ILE A 79 79.247 -18.352 -6.053 1.00 1.00 H new ATOM 0 HG21 ILE A 79 77.694 -15.542 -4.180 1.00 1.00 H new ATOM 0 HG22 ILE A 79 77.787 -14.366 -5.512 1.00 1.00 H new ATOM 0 HG23 ILE A 79 76.639 -15.722 -5.602 1.00 1.00 H new ATOM 0 HD11 ILE A 79 78.357 -18.973 -3.830 1.00 1.00 H new ATOM 0 HD12 ILE A 79 79.484 -17.602 -3.691 1.00 1.00 H new ATOM 0 HD13 ILE A 79 77.728 -17.322 -3.614 1.00 1.00 H new ATOM 1198 N ALA A 80 79.590 -18.153 -8.443 1.00 1.00 N ATOM 1199 CA ALA A 80 80.653 -18.953 -9.096 1.00 1.00 C ATOM 1200 C ALA A 80 80.674 -18.815 -10.628 1.00 1.00 C ATOM 1201 O ALA A 80 81.575 -19.340 -11.284 1.00 1.00 O ATOM 1202 CB ALA A 80 80.583 -20.437 -8.692 1.00 1.00 C ATOM 0 H ALA A 80 78.730 -18.667 -8.253 1.00 1.00 H new ATOM 0 HA ALA A 80 81.590 -18.535 -8.730 1.00 1.00 H new ATOM 0 HB1 ALA A 80 81.379 -20.988 -9.192 1.00 1.00 H new ATOM 0 HB2 ALA A 80 80.703 -20.526 -7.612 1.00 1.00 H new ATOM 0 HB3 ALA A 80 79.617 -20.849 -8.985 1.00 1.00 H new ATOM 1208 N GLU A 81 79.653 -18.174 -11.202 1.00 1.00 N ATOM 1209 CA GLU A 81 79.541 -18.049 -12.645 1.00 1.00 C ATOM 1210 C GLU A 81 80.206 -16.791 -13.203 1.00 1.00 C ATOM 1211 O GLU A 81 81.284 -16.884 -13.793 1.00 1.00 O ATOM 1212 CB GLU A 81 78.044 -17.982 -12.969 1.00 1.00 C ATOM 1213 CG GLU A 81 77.804 -17.976 -14.480 1.00 1.00 C ATOM 1214 CD GLU A 81 76.304 -17.893 -14.746 1.00 1.00 C ATOM 1215 OE1 GLU A 81 75.547 -18.097 -13.809 1.00 1.00 O ATOM 1216 OE2 GLU A 81 75.934 -17.624 -15.875 1.00 1.00 O ATOM 0 H GLU A 81 78.893 -17.735 -10.682 1.00 1.00 H new ATOM 0 HA GLU A 81 80.047 -18.900 -13.100 1.00 1.00 H new ATOM 0 HB2 GLU A 81 77.534 -18.835 -12.521 1.00 1.00 H new ATOM 0 HB3 GLU A 81 77.613 -17.084 -12.526 1.00 1.00 H new ATOM 0 HG2 GLU A 81 78.315 -17.129 -14.939 1.00 1.00 H new ATOM 0 HG3 GLU A 81 78.216 -18.879 -14.930 1.00 1.00 H new ATOM 1223 N ASP A 82 79.583 -15.611 -13.043 1.00 1.00 N ATOM 1224 CA ASP A 82 80.153 -14.369 -13.568 1.00 1.00 C ATOM 1225 C ASP A 82 81.058 -13.639 -12.564 1.00 1.00 C ATOM 1226 O ASP A 82 81.803 -12.751 -12.946 1.00 1.00 O ATOM 1227 CB ASP A 82 79.010 -13.446 -14.008 1.00 1.00 C ATOM 1228 CG ASP A 82 78.180 -14.136 -15.091 1.00 1.00 C ATOM 1229 OD1 ASP A 82 77.298 -14.901 -14.736 1.00 1.00 O ATOM 1230 OD2 ASP A 82 78.430 -13.882 -16.258 1.00 1.00 O ATOM 0 H ASP A 82 78.693 -15.496 -12.558 1.00 1.00 H new ATOM 0 HA ASP A 82 80.788 -14.635 -14.413 1.00 1.00 H new ATOM 0 HB2 ASP A 82 78.379 -13.200 -13.154 1.00 1.00 H new ATOM 0 HB3 ASP A 82 79.413 -12.507 -14.388 1.00 1.00 H new ATOM 1235 N ALA A 83 80.964 -13.985 -11.279 1.00 1.00 N ATOM 1236 CA ALA A 83 81.773 -13.277 -10.283 1.00 1.00 C ATOM 1237 C ALA A 83 83.218 -13.142 -10.738 1.00 1.00 C ATOM 1238 O ALA A 83 83.824 -12.101 -10.545 1.00 1.00 O ATOM 1239 CB ALA A 83 81.767 -13.986 -8.952 1.00 1.00 C ATOM 0 H ALA A 83 80.361 -14.721 -10.912 1.00 1.00 H new ATOM 0 HA ALA A 83 81.323 -12.290 -10.173 1.00 1.00 H new ATOM 0 HB1 ALA A 83 82.378 -13.430 -8.241 1.00 1.00 H new ATOM 0 HB2 ALA A 83 80.745 -14.051 -8.579 1.00 1.00 H new ATOM 0 HB3 ALA A 83 82.174 -14.990 -9.073 1.00 1.00 H new ATOM 1245 N LEU A 84 83.769 -14.209 -11.311 1.00 1.00 N ATOM 1246 CA LEU A 84 85.170 -14.202 -11.756 1.00 1.00 C ATOM 1247 C LEU A 84 85.542 -12.843 -12.335 1.00 1.00 C ATOM 1248 O LEU A 84 86.595 -12.283 -12.034 1.00 1.00 O ATOM 1249 CB LEU A 84 85.374 -15.298 -12.834 1.00 1.00 C ATOM 1250 CG LEU A 84 86.655 -15.052 -13.677 1.00 1.00 C ATOM 1251 CD1 LEU A 84 87.906 -15.127 -12.799 1.00 1.00 C ATOM 1252 CD2 LEU A 84 86.753 -16.112 -14.774 1.00 1.00 C ATOM 0 H LEU A 84 83.276 -15.086 -11.480 1.00 1.00 H new ATOM 0 HA LEU A 84 85.811 -14.403 -10.898 1.00 1.00 H new ATOM 0 HB2 LEU A 84 85.439 -16.273 -12.352 1.00 1.00 H new ATOM 0 HB3 LEU A 84 84.506 -15.325 -13.493 1.00 1.00 H new ATOM 0 HG LEU A 84 86.592 -14.057 -14.118 1.00 1.00 H new ATOM 0 HD11 LEU A 84 88.791 -14.952 -13.411 1.00 1.00 H new ATOM 0 HD12 LEU A 84 87.849 -14.369 -12.018 1.00 1.00 H new ATOM 0 HD13 LEU A 84 87.971 -16.114 -12.342 1.00 1.00 H new ATOM 0 HD21 LEU A 84 87.652 -15.940 -15.366 1.00 1.00 H new ATOM 0 HD22 LEU A 84 86.801 -17.102 -14.320 1.00 1.00 H new ATOM 0 HD23 LEU A 84 85.876 -16.051 -15.419 1.00 1.00 H new ATOM 1264 N ILE A 85 84.661 -12.342 -13.175 1.00 1.00 N ATOM 1265 CA ILE A 85 84.896 -11.061 -13.817 1.00 1.00 C ATOM 1266 C ILE A 85 84.905 -9.935 -12.782 1.00 1.00 C ATOM 1267 O ILE A 85 85.685 -8.990 -12.905 1.00 1.00 O ATOM 1268 CB ILE A 85 83.870 -10.778 -14.930 1.00 1.00 C ATOM 1269 CG1 ILE A 85 82.609 -10.114 -14.342 1.00 1.00 C ATOM 1270 CG2 ILE A 85 83.509 -12.092 -15.633 1.00 1.00 C ATOM 1271 CD1 ILE A 85 81.465 -10.167 -15.357 1.00 1.00 C ATOM 0 H ILE A 85 83.783 -12.795 -13.429 1.00 1.00 H new ATOM 0 HA ILE A 85 85.877 -11.106 -14.290 1.00 1.00 H new ATOM 0 HB ILE A 85 84.305 -10.092 -15.656 1.00 1.00 H new ATOM 0 HG12 ILE A 85 82.315 -10.623 -13.424 1.00 1.00 H new ATOM 0 HG13 ILE A 85 82.823 -9.078 -14.078 1.00 1.00 H new ATOM 0 HG21 ILE A 85 82.783 -11.895 -16.422 1.00 1.00 H new ATOM 0 HG22 ILE A 85 84.407 -12.531 -16.068 1.00 1.00 H new ATOM 0 HG23 ILE A 85 83.080 -12.786 -14.910 1.00 1.00 H new ATOM 0 HD11 ILE A 85 80.579 -9.695 -14.932 1.00 1.00 H new ATOM 0 HD12 ILE A 85 81.758 -9.638 -16.264 1.00 1.00 H new ATOM 0 HD13 ILE A 85 81.242 -11.206 -15.600 1.00 1.00 H new ATOM 1283 N ALA A 86 84.041 -10.023 -11.761 1.00 1.00 N ATOM 1284 CA ALA A 86 83.980 -8.987 -10.730 1.00 1.00 C ATOM 1285 C ALA A 86 84.920 -9.297 -9.560 1.00 1.00 C ATOM 1286 O ALA A 86 85.349 -8.399 -8.851 1.00 1.00 O ATOM 1287 CB ALA A 86 82.549 -8.881 -10.204 1.00 1.00 C ATOM 0 H ALA A 86 83.384 -10.792 -11.631 1.00 1.00 H new ATOM 0 HA ALA A 86 84.295 -8.046 -11.181 1.00 1.00 H new ATOM 0 HB1 ALA A 86 82.500 -8.110 -9.435 1.00 1.00 H new ATOM 0 HB2 ALA A 86 81.879 -8.620 -11.023 1.00 1.00 H new ATOM 0 HB3 ALA A 86 82.246 -9.837 -9.778 1.00 1.00 H new ATOM 1293 N GLU A 87 85.207 -10.577 -9.356 1.00 1.00 N ATOM 1294 CA GLU A 87 86.075 -11.013 -8.262 1.00 1.00 C ATOM 1295 C GLU A 87 87.403 -10.283 -8.342 1.00 1.00 C ATOM 1296 O GLU A 87 88.095 -10.097 -7.340 1.00 1.00 O ATOM 1297 CB GLU A 87 86.324 -12.523 -8.369 1.00 1.00 C ATOM 1298 CG GLU A 87 86.841 -13.057 -7.032 1.00 1.00 C ATOM 1299 CD GLU A 87 85.704 -13.106 -6.015 1.00 1.00 C ATOM 1300 OE1 GLU A 87 84.560 -13.101 -6.437 1.00 1.00 O ATOM 1301 OE2 GLU A 87 85.995 -13.151 -4.832 1.00 1.00 O ATOM 0 H GLU A 87 84.851 -11.337 -9.936 1.00 1.00 H new ATOM 0 HA GLU A 87 85.590 -10.789 -7.312 1.00 1.00 H new ATOM 0 HB2 GLU A 87 85.402 -13.035 -8.644 1.00 1.00 H new ATOM 0 HB3 GLU A 87 87.048 -12.727 -9.157 1.00 1.00 H new ATOM 0 HG2 GLU A 87 87.262 -14.053 -7.167 1.00 1.00 H new ATOM 0 HG3 GLU A 87 87.644 -12.419 -6.662 1.00 1.00 H new ATOM 1308 N ALA A 88 87.732 -9.851 -9.550 1.00 1.00 N ATOM 1309 CA ALA A 88 88.972 -9.110 -9.773 1.00 1.00 C ATOM 1310 C ALA A 88 88.801 -7.730 -9.175 1.00 1.00 C ATOM 1311 O ALA A 88 89.740 -6.953 -9.029 1.00 1.00 O ATOM 1312 CB ALA A 88 89.286 -9.011 -11.264 1.00 1.00 C ATOM 0 H ALA A 88 87.166 -9.997 -10.386 1.00 1.00 H new ATOM 0 HA ALA A 88 89.806 -9.628 -9.300 1.00 1.00 H new ATOM 0 HB1 ALA A 88 90.213 -8.455 -11.404 1.00 1.00 H new ATOM 0 HB2 ALA A 88 89.397 -10.012 -11.680 1.00 1.00 H new ATOM 0 HB3 ALA A 88 88.473 -8.494 -11.774 1.00 1.00 H new ATOM 1318 N VAL A 89 87.567 -7.493 -8.787 1.00 1.00 N ATOM 1319 CA VAL A 89 87.201 -6.254 -8.140 1.00 1.00 C ATOM 1320 C VAL A 89 87.319 -6.471 -6.645 1.00 1.00 C ATOM 1321 O VAL A 89 86.569 -5.900 -5.858 1.00 1.00 O ATOM 1322 CB VAL A 89 85.839 -5.706 -8.571 1.00 1.00 C ATOM 1323 CG1 VAL A 89 85.757 -4.222 -8.183 1.00 1.00 C ATOM 1324 CG2 VAL A 89 85.728 -5.813 -10.098 1.00 1.00 C ATOM 0 H VAL A 89 86.795 -8.148 -8.910 1.00 1.00 H new ATOM 0 HA VAL A 89 87.886 -5.467 -8.455 1.00 1.00 H new ATOM 0 HB VAL A 89 85.040 -6.269 -8.089 1.00 1.00 H new ATOM 0 HG11 VAL A 89 84.790 -3.820 -8.485 1.00 1.00 H new ATOM 0 HG12 VAL A 89 85.871 -4.121 -7.104 1.00 1.00 H new ATOM 0 HG13 VAL A 89 86.552 -3.670 -8.684 1.00 1.00 H new ATOM 0 HG21 VAL A 89 84.761 -5.426 -10.421 1.00 1.00 H new ATOM 0 HG22 VAL A 89 86.525 -5.232 -10.562 1.00 1.00 H new ATOM 0 HG23 VAL A 89 85.819 -6.857 -10.397 1.00 1.00 H new ATOM 1334 N GLY A 90 88.342 -7.278 -6.234 1.00 1.00 N ATOM 1335 CA GLY A 90 88.615 -7.522 -4.838 1.00 1.00 C ATOM 1336 C GLY A 90 88.834 -6.231 -4.064 1.00 1.00 C ATOM 1337 O GLY A 90 88.539 -6.231 -2.872 1.00 1.00 O ATOM 0 H GLY A 90 88.976 -7.758 -6.873 1.00 1.00 H new ATOM 0 HA2 GLY A 90 87.784 -8.072 -4.397 1.00 1.00 H new ATOM 0 HA3 GLY A 90 89.499 -8.153 -4.747 1.00 1.00 H new ATOM 1341 N PRO A 91 89.265 -5.114 -4.687 1.00 1.00 N ATOM 1342 CA PRO A 91 89.361 -3.781 -4.015 1.00 1.00 C ATOM 1343 C PRO A 91 88.277 -3.552 -2.947 1.00 1.00 C ATOM 1344 O PRO A 91 88.249 -2.499 -2.312 1.00 1.00 O ATOM 1345 CB PRO A 91 89.173 -2.778 -5.184 1.00 1.00 C ATOM 1346 CG PRO A 91 89.372 -3.572 -6.458 1.00 1.00 C ATOM 1347 CD PRO A 91 89.848 -4.963 -6.040 1.00 1.00 C ATOM 0 HA PRO A 91 90.303 -3.679 -3.476 1.00 1.00 H new ATOM 0 HB2 PRO A 91 88.180 -2.329 -5.156 1.00 1.00 H new ATOM 0 HB3 PRO A 91 89.893 -1.963 -5.117 1.00 1.00 H new ATOM 0 HG2 PRO A 91 88.442 -3.635 -7.024 1.00 1.00 H new ATOM 0 HG3 PRO A 91 90.106 -3.090 -7.104 1.00 1.00 H new ATOM 0 HD2 PRO A 91 89.492 -5.735 -6.723 1.00 1.00 H new ATOM 0 HD3 PRO A 91 90.936 -5.030 -6.022 1.00 1.00 H new ATOM 1355 N HIS A 92 87.413 -4.546 -2.724 1.00 1.00 N ATOM 1356 CA HIS A 92 86.395 -4.433 -1.725 1.00 1.00 C ATOM 1357 C HIS A 92 87.078 -3.969 -0.448 1.00 1.00 C ATOM 1358 O HIS A 92 86.482 -3.229 0.301 1.00 1.00 O ATOM 1359 CB HIS A 92 85.706 -5.811 -1.499 1.00 1.00 C ATOM 1360 CG HIS A 92 85.746 -6.191 -0.032 1.00 1.00 C ATOM 1361 ND1 HIS A 92 86.906 -6.652 0.572 1.00 1.00 N ATOM 1362 CD2 HIS A 92 84.812 -6.109 0.970 1.00 1.00 C ATOM 1363 CE1 HIS A 92 86.647 -6.820 1.879 1.00 1.00 C ATOM 1364 NE2 HIS A 92 85.383 -6.504 2.178 1.00 1.00 N ATOM 0 H HIS A 92 87.414 -5.431 -3.232 1.00 1.00 H new ATOM 0 HA HIS A 92 85.624 -3.726 -2.033 1.00 1.00 H new ATOM 0 HB2 HIS A 92 84.672 -5.768 -1.841 1.00 1.00 H new ATOM 0 HB3 HIS A 92 86.206 -6.576 -2.093 1.00 1.00 H new ATOM 0 HD1 HIS A 92 87.796 -6.831 0.107 1.00 1.00 H new ATOM 0 HD2 HIS A 92 83.789 -5.787 0.842 1.00 1.00 H new ATOM 0 HE1 HIS A 92 87.371 -7.168 2.600 1.00 1.00 H new ATOM 1372 N LEU A 93 88.332 -4.367 -0.187 1.00 1.00 N ATOM 1373 CA LEU A 93 89.014 -3.884 1.002 1.00 1.00 C ATOM 1374 C LEU A 93 89.084 -2.366 0.906 1.00 1.00 C ATOM 1375 O LEU A 93 88.653 -1.638 1.791 1.00 1.00 O ATOM 1376 CB LEU A 93 90.430 -4.486 1.014 1.00 1.00 C ATOM 1377 CG LEU A 93 91.328 -3.787 2.042 1.00 1.00 C ATOM 1378 CD1 LEU A 93 90.731 -3.934 3.440 1.00 1.00 C ATOM 1379 CD2 LEU A 93 92.709 -4.442 2.006 1.00 1.00 C ATOM 0 H LEU A 93 88.874 -5.004 -0.770 1.00 1.00 H new ATOM 0 HA LEU A 93 88.494 -4.170 1.916 1.00 1.00 H new ATOM 0 HB2 LEU A 93 90.372 -5.550 1.243 1.00 1.00 H new ATOM 0 HB3 LEU A 93 90.873 -4.397 0.022 1.00 1.00 H new ATOM 0 HG LEU A 93 91.407 -2.727 1.802 1.00 1.00 H new ATOM 0 HD11 LEU A 93 91.374 -3.435 4.165 1.00 1.00 H new ATOM 0 HD12 LEU A 93 89.740 -3.481 3.462 1.00 1.00 H new ATOM 0 HD13 LEU A 93 90.652 -4.991 3.693 1.00 1.00 H new ATOM 0 HD21 LEU A 93 93.361 -3.956 2.732 1.00 1.00 H new ATOM 0 HD22 LEU A 93 92.616 -5.500 2.252 1.00 1.00 H new ATOM 0 HD23 LEU A 93 93.135 -4.337 1.008 1.00 1.00 H new ATOM 1391 N ALA A 94 89.679 -1.884 -0.173 1.00 1.00 N ATOM 1392 CA ALA A 94 89.816 -0.439 -0.345 1.00 1.00 C ATOM 1393 C ALA A 94 88.441 0.189 -0.155 1.00 1.00 C ATOM 1394 O ALA A 94 88.267 1.070 0.674 1.00 1.00 O ATOM 1395 CB ALA A 94 90.367 -0.117 -1.735 1.00 1.00 C ATOM 0 H ALA A 94 90.067 -2.451 -0.927 1.00 1.00 H new ATOM 0 HA ALA A 94 90.515 -0.037 0.388 1.00 1.00 H new ATOM 0 HB1 ALA A 94 90.463 0.963 -1.847 1.00 1.00 H new ATOM 0 HB2 ALA A 94 91.345 -0.583 -1.856 1.00 1.00 H new ATOM 0 HB3 ALA A 94 89.686 -0.501 -2.494 1.00 1.00 H new ATOM 1401 N ARG A 95 87.455 -0.293 -0.904 1.00 1.00 N ATOM 1402 CA ARG A 95 86.076 0.203 -0.786 1.00 1.00 C ATOM 1403 C ARG A 95 85.492 -0.123 0.599 1.00 1.00 C ATOM 1404 O ARG A 95 84.652 0.605 1.142 1.00 1.00 O ATOM 1405 CB ARG A 95 85.210 -0.476 -1.844 1.00 1.00 C ATOM 1406 CG ARG A 95 85.814 -0.277 -3.243 1.00 1.00 C ATOM 1407 CD ARG A 95 86.068 1.210 -3.509 1.00 1.00 C ATOM 1408 NE ARG A 95 87.340 1.612 -2.911 1.00 1.00 N ATOM 1409 CZ ARG A 95 87.555 2.862 -2.508 1.00 1.00 C ATOM 1410 NH1 ARG A 95 86.629 3.768 -2.660 1.00 1.00 N ATOM 1411 NH2 ARG A 95 88.695 3.182 -1.959 1.00 1.00 N ATOM 0 H ARG A 95 87.579 -1.027 -1.601 1.00 1.00 H new ATOM 0 HA ARG A 95 86.086 1.284 -0.924 1.00 1.00 H new ATOM 0 HB2 ARG A 95 85.127 -1.541 -1.626 1.00 1.00 H new ATOM 0 HB3 ARG A 95 84.201 -0.065 -1.815 1.00 1.00 H new ATOM 0 HG2 ARG A 95 86.748 -0.832 -3.325 1.00 1.00 H new ATOM 0 HG3 ARG A 95 85.138 -0.678 -3.998 1.00 1.00 H new ATOM 0 HD2 ARG A 95 86.085 1.399 -4.582 1.00 1.00 H new ATOM 0 HD3 ARG A 95 85.256 1.807 -3.093 1.00 1.00 H new ATOM 0 HE ARG A 95 88.080 0.919 -2.800 1.00 1.00 H new ATOM 0 HH11 ARG A 95 85.737 3.519 -3.089 1.00 1.00 H new ATOM 0 HH12 ARG A 95 86.796 4.725 -2.350 1.00 1.00 H new ATOM 0 HH21 ARG A 95 89.420 2.474 -1.839 1.00 1.00 H new ATOM 0 HH22 ARG A 95 88.861 4.140 -1.650 1.00 1.00 H new ATOM 1425 N ALA A 96 85.921 -1.257 1.136 1.00 1.00 N ATOM 1426 CA ALA A 96 85.387 -1.721 2.451 1.00 1.00 C ATOM 1427 C ALA A 96 85.463 -0.525 3.360 1.00 1.00 C ATOM 1428 O ALA A 96 84.606 -0.286 4.161 1.00 1.00 O ATOM 1429 CB ALA A 96 86.165 -2.890 3.057 1.00 1.00 C ATOM 0 H ALA A 96 86.616 -1.871 0.712 1.00 1.00 H new ATOM 0 HA ALA A 96 84.373 -2.099 2.318 1.00 1.00 H new ATOM 0 HB1 ALA A 96 85.717 -3.170 4.011 1.00 1.00 H new ATOM 0 HB2 ALA A 96 86.131 -3.741 2.377 1.00 1.00 H new ATOM 0 HB3 ALA A 96 87.202 -2.593 3.216 1.00 1.00 H new ATOM 1435 N LEU A 97 86.549 0.176 3.180 1.00 1.00 N ATOM 1436 CA LEU A 97 86.842 1.397 3.967 1.00 1.00 C ATOM 1437 C LEU A 97 85.463 2.093 4.279 1.00 1.00 C ATOM 1438 O LEU A 97 85.228 2.672 5.361 1.00 1.00 O ATOM 1439 CB LEU A 97 87.736 2.297 3.100 1.00 1.00 C ATOM 1440 CG LEU A 97 87.968 3.702 3.706 1.00 1.00 C ATOM 1441 CD1 LEU A 97 86.784 4.653 3.394 1.00 1.00 C ATOM 1442 CD2 LEU A 97 88.202 3.618 5.222 1.00 1.00 C ATOM 0 H LEU A 97 87.267 -0.060 2.495 1.00 1.00 H new ATOM 0 HA LEU A 97 87.355 1.184 4.905 1.00 1.00 H new ATOM 0 HB2 LEU A 97 88.700 1.808 2.956 1.00 1.00 H new ATOM 0 HB3 LEU A 97 87.283 2.405 2.115 1.00 1.00 H new ATOM 0 HG LEU A 97 88.865 4.113 3.242 1.00 1.00 H new ATOM 0 HD11 LEU A 97 86.978 5.632 3.833 1.00 1.00 H new ATOM 0 HD12 LEU A 97 86.674 4.755 2.314 1.00 1.00 H new ATOM 0 HD13 LEU A 97 85.866 4.242 3.815 1.00 1.00 H new ATOM 0 HD21 LEU A 97 88.362 4.619 5.621 1.00 1.00 H new ATOM 0 HD22 LEU A 97 87.330 3.172 5.701 1.00 1.00 H new ATOM 0 HD23 LEU A 97 89.080 3.003 5.421 1.00 1.00 H new ATOM 1454 N GLY A 98 84.460 1.805 3.414 1.00 1.00 N ATOM 1455 CA GLY A 98 83.060 2.224 3.675 1.00 1.00 C ATOM 1456 C GLY A 98 82.272 1.143 4.471 1.00 1.00 C ATOM 1457 O GLY A 98 81.709 1.376 5.565 1.00 1.00 O ATOM 0 H GLY A 98 84.590 1.292 2.542 1.00 1.00 H new ATOM 0 HA2 GLY A 98 83.059 3.160 4.234 1.00 1.00 H new ATOM 0 HA3 GLY A 98 82.556 2.418 2.728 1.00 1.00 H new ATOM 1461 N GLN A 99 82.289 -0.076 3.934 1.00 1.00 N ATOM 1462 CA GLN A 99 81.654 -1.211 4.559 1.00 1.00 C ATOM 1463 C GLN A 99 82.565 -1.683 5.680 1.00 1.00 C ATOM 1464 O GLN A 99 82.341 -2.725 6.299 1.00 1.00 O ATOM 1465 CB GLN A 99 81.372 -2.324 3.533 1.00 1.00 C ATOM 1466 CG GLN A 99 79.947 -2.174 2.973 1.00 1.00 C ATOM 1467 CD GLN A 99 79.788 -0.836 2.257 1.00 1.00 C ATOM 1468 OE1 GLN A 99 79.938 0.221 2.869 1.00 1.00 O ATOM 1469 NE2 GLN A 99 79.483 -0.819 0.987 1.00 1.00 N ATOM 0 H GLN A 99 82.748 -0.294 3.050 1.00 1.00 H new ATOM 0 HA GLN A 99 80.684 -0.931 4.969 1.00 1.00 H new ATOM 0 HB2 GLN A 99 82.098 -2.274 2.721 1.00 1.00 H new ATOM 0 HB3 GLN A 99 81.486 -3.301 4.003 1.00 1.00 H new ATOM 0 HG2 GLN A 99 79.735 -2.990 2.282 1.00 1.00 H new ATOM 0 HG3 GLN A 99 79.222 -2.247 3.784 1.00 1.00 H new ATOM 0 HE21 GLN A 99 79.359 -1.696 0.481 1.00 1.00 H new ATOM 0 HE22 GLN A 99 79.369 0.071 0.502 1.00 1.00 H new ATOM 1478 N ILE A 100 83.604 -0.887 5.941 1.00 1.00 N ATOM 1479 CA ILE A 100 84.552 -1.194 6.986 1.00 1.00 C ATOM 1480 C ILE A 100 83.803 -1.207 8.262 1.00 1.00 C ATOM 1481 O ILE A 100 83.850 -2.184 8.999 1.00 1.00 O ATOM 1482 CB ILE A 100 85.693 -0.168 7.056 1.00 1.00 C ATOM 1483 CG1 ILE A 100 86.824 -0.707 7.964 1.00 1.00 C ATOM 1484 CG2 ILE A 100 85.201 1.178 7.616 1.00 1.00 C ATOM 1485 CD1 ILE A 100 87.769 -1.613 7.165 1.00 1.00 C ATOM 0 H ILE A 100 83.801 -0.024 5.434 1.00 1.00 H new ATOM 0 HA ILE A 100 85.017 -2.159 6.782 1.00 1.00 H new ATOM 0 HB ILE A 100 86.064 -0.010 6.043 1.00 1.00 H new ATOM 0 HG12 ILE A 100 87.383 0.125 8.391 1.00 1.00 H new ATOM 0 HG13 ILE A 100 86.395 -1.264 8.797 1.00 1.00 H new ATOM 0 HG21 ILE A 100 86.032 1.882 7.653 1.00 1.00 H new ATOM 0 HG22 ILE A 100 84.417 1.575 6.972 1.00 1.00 H new ATOM 0 HG23 ILE A 100 84.805 1.031 8.621 1.00 1.00 H new ATOM 0 HD11 ILE A 100 88.558 -1.983 7.820 1.00 1.00 H new ATOM 0 HD12 ILE A 100 87.209 -2.456 6.760 1.00 1.00 H new ATOM 0 HD13 ILE A 100 88.212 -1.045 6.347 1.00 1.00 H new ATOM 1497 N VAL A 101 83.058 -0.137 8.528 1.00 1.00 N ATOM 1498 CA VAL A 101 82.269 -0.142 9.750 1.00 1.00 C ATOM 1499 C VAL A 101 81.448 -1.423 9.728 1.00 1.00 C ATOM 1500 O VAL A 101 81.507 -2.231 10.648 1.00 1.00 O ATOM 1501 CB VAL A 101 81.348 1.089 9.817 1.00 1.00 C ATOM 1502 CG1 VAL A 101 80.383 0.943 10.994 1.00 1.00 C ATOM 1503 CG2 VAL A 101 82.193 2.349 10.027 1.00 1.00 C ATOM 0 H VAL A 101 82.985 0.700 7.949 1.00 1.00 H new ATOM 0 HA VAL A 101 82.914 -0.100 10.628 1.00 1.00 H new ATOM 0 HB VAL A 101 80.788 1.168 8.885 1.00 1.00 H new ATOM 0 HG11 VAL A 101 79.731 1.815 11.040 1.00 1.00 H new ATOM 0 HG12 VAL A 101 79.779 0.046 10.860 1.00 1.00 H new ATOM 0 HG13 VAL A 101 80.950 0.864 11.922 1.00 1.00 H new ATOM 0 HG21 VAL A 101 81.541 3.221 10.074 1.00 1.00 H new ATOM 0 HG22 VAL A 101 82.751 2.262 10.960 1.00 1.00 H new ATOM 0 HG23 VAL A 101 82.890 2.462 9.197 1.00 1.00 H new ATOM 1513 N CYS A 102 80.655 -1.601 8.679 1.00 1.00 N ATOM 1514 CA CYS A 102 79.821 -2.795 8.588 1.00 1.00 C ATOM 1515 C CYS A 102 80.665 -4.037 8.933 1.00 1.00 C ATOM 1516 O CYS A 102 80.137 -5.071 9.300 1.00 1.00 O ATOM 1517 CB CYS A 102 79.211 -2.886 7.160 1.00 1.00 C ATOM 1518 SG CYS A 102 79.582 -4.478 6.361 1.00 1.00 S ATOM 0 H CYS A 102 80.571 -0.952 7.896 1.00 1.00 H new ATOM 0 HA CYS A 102 78.999 -2.743 9.302 1.00 1.00 H new ATOM 0 HB2 CYS A 102 78.131 -2.752 7.218 1.00 1.00 H new ATOM 0 HB3 CYS A 102 79.600 -2.073 6.547 1.00 1.00 H new ATOM 0 HG CYS A 102 80.825 -4.494 5.982 1.00 1.00 H new ATOM 1523 N ARG A 103 81.985 -3.896 8.838 1.00 1.00 N ATOM 1524 CA ARG A 103 82.914 -4.990 9.175 1.00 1.00 C ATOM 1525 C ARG A 103 83.432 -4.941 10.625 1.00 1.00 C ATOM 1526 O ARG A 103 83.421 -5.940 11.339 1.00 1.00 O ATOM 1527 CB ARG A 103 84.106 -4.971 8.190 1.00 1.00 C ATOM 1528 CG ARG A 103 84.027 -6.154 7.226 1.00 1.00 C ATOM 1529 CD ARG A 103 85.105 -6.017 6.156 1.00 1.00 C ATOM 1530 NE ARG A 103 84.819 -4.859 5.314 1.00 1.00 N ATOM 1531 CZ ARG A 103 83.941 -4.941 4.318 1.00 1.00 C ATOM 1532 NH1 ARG A 103 83.316 -6.062 4.092 1.00 1.00 N ATOM 1533 NH2 ARG A 103 83.692 -3.899 3.577 1.00 1.00 N ATOM 0 H ARG A 103 82.443 -3.038 8.531 1.00 1.00 H new ATOM 0 HA ARG A 103 82.351 -5.919 9.086 1.00 1.00 H new ATOM 0 HB2 ARG A 103 84.106 -4.037 7.628 1.00 1.00 H new ATOM 0 HB3 ARG A 103 85.044 -5.009 8.745 1.00 1.00 H new ATOM 0 HG2 ARG A 103 84.158 -7.089 7.771 1.00 1.00 H new ATOM 0 HG3 ARG A 103 83.042 -6.192 6.761 1.00 1.00 H new ATOM 0 HD2 ARG A 103 86.083 -5.906 6.624 1.00 1.00 H new ATOM 0 HD3 ARG A 103 85.144 -6.920 5.547 1.00 1.00 H new ATOM 0 HE ARG A 103 85.298 -3.976 5.492 1.00 1.00 H new ATOM 0 HH11 ARG A 103 83.500 -6.876 4.679 1.00 1.00 H new ATOM 0 HH12 ARG A 103 82.643 -6.126 3.328 1.00 1.00 H new ATOM 0 HH21 ARG A 103 84.171 -3.017 3.760 1.00 1.00 H new ATOM 0 HH22 ARG A 103 83.018 -3.965 2.814 1.00 1.00 H new ATOM 1547 N TYR A 104 83.877 -3.761 11.014 1.00 1.00 N ATOM 1548 CA TYR A 104 84.424 -3.448 12.331 1.00 1.00 C ATOM 1549 C TYR A 104 83.413 -2.678 13.170 1.00 1.00 C ATOM 1550 O TYR A 104 83.802 -1.995 14.117 1.00 1.00 O ATOM 1551 CB TYR A 104 85.735 -2.669 12.218 1.00 1.00 C ATOM 1552 CG TYR A 104 86.285 -2.419 13.609 1.00 1.00 C ATOM 1553 CD1 TYR A 104 86.681 -3.497 14.415 1.00 1.00 C ATOM 1554 CD2 TYR A 104 86.389 -1.110 14.098 1.00 1.00 C ATOM 1555 CE1 TYR A 104 87.179 -3.265 15.704 1.00 1.00 C ATOM 1556 CE2 TYR A 104 86.889 -0.879 15.386 1.00 1.00 C ATOM 1557 CZ TYR A 104 87.282 -1.955 16.189 1.00 1.00 C ATOM 1558 OH TYR A 104 87.771 -1.726 17.459 1.00 1.00 O ATOM 0 H TYR A 104 83.869 -2.952 10.393 1.00 1.00 H new ATOM 0 HA TYR A 104 84.638 -4.392 12.832 1.00 1.00 H new ATOM 0 HB2 TYR A 104 86.456 -3.230 11.624 1.00 1.00 H new ATOM 0 HB3 TYR A 104 85.567 -1.722 11.704 1.00 1.00 H new ATOM 0 HD1 TYR A 104 86.602 -4.507 14.041 1.00 1.00 H new ATOM 0 HD2 TYR A 104 86.083 -0.278 13.481 1.00 1.00 H new ATOM 0 HE1 TYR A 104 87.483 -4.096 16.323 1.00 1.00 H new ATOM 0 HE2 TYR A 104 86.971 0.131 15.760 1.00 1.00 H new ATOM 0 HH TYR A 104 87.777 -0.763 17.638 1.00 1.00 H new ATOM 1568 N GLY A 105 82.125 -2.761 12.855 1.00 1.00 N ATOM 1569 CA GLY A 105 81.145 -2.030 13.641 1.00 1.00 C ATOM 1570 C GLY A 105 79.742 -2.531 13.365 1.00 1.00 C ATOM 1571 O GLY A 105 78.797 -2.145 14.056 1.00 1.00 O ATOM 0 H GLY A 105 81.745 -3.310 12.084 1.00 1.00 H new ATOM 0 HA2 GLY A 105 81.371 -2.138 14.702 1.00 1.00 H new ATOM 0 HA3 GLY A 105 81.207 -0.967 13.408 1.00 1.00 H new ATOM 1575 N ALA A 106 79.612 -3.407 12.361 1.00 1.00 N ATOM 1576 CA ALA A 106 78.323 -3.993 12.004 1.00 1.00 C ATOM 1577 C ALA A 106 77.399 -4.079 13.226 1.00 1.00 C ATOM 1578 O ALA A 106 77.708 -4.796 14.176 1.00 1.00 O ATOM 1579 CB ALA A 106 78.590 -5.412 11.450 1.00 1.00 C ATOM 0 H ALA A 106 80.390 -3.724 11.782 1.00 1.00 H new ATOM 0 HA ALA A 106 77.829 -3.369 11.260 1.00 1.00 H new ATOM 0 HB1 ALA A 106 77.644 -5.878 11.173 1.00 1.00 H new ATOM 0 HB2 ALA A 106 79.232 -5.345 10.572 1.00 1.00 H new ATOM 0 HB3 ALA A 106 79.082 -6.014 12.214 1.00 1.00 H new ATOM 1585 N THR A 107 76.254 -3.386 13.203 1.00 1.00 N ATOM 1586 CA THR A 107 75.306 -3.440 14.317 1.00 1.00 C ATOM 1587 C THR A 107 73.907 -3.590 13.731 1.00 1.00 C ATOM 1588 O THR A 107 73.180 -4.471 14.083 1.00 1.00 O ATOM 1589 CB THR A 107 75.402 -2.169 15.159 1.00 1.00 C ATOM 1590 OG1 THR A 107 76.771 -1.855 15.376 1.00 1.00 O ATOM 1591 CG2 THR A 107 74.709 -2.390 16.505 1.00 1.00 C ATOM 0 H THR A 107 75.965 -2.786 12.430 1.00 1.00 H new ATOM 0 HA THR A 107 75.533 -4.284 14.968 1.00 1.00 H new ATOM 0 HB THR A 107 74.915 -1.347 14.635 1.00 1.00 H new ATOM 0 HG1 THR A 107 77.204 -1.670 14.517 1.00 1.00 H new ATOM 0 HG21 THR A 107 74.779 -1.482 17.104 1.00 1.00 H new ATOM 0 HG22 THR A 107 73.660 -2.635 16.338 1.00 1.00 H new ATOM 0 HG23 THR A 107 75.194 -3.211 17.033 1.00 1.00 H new ATOM 1599 N VAL A 108 73.486 -2.664 12.903 1.00 1.00 N ATOM 1600 CA VAL A 108 72.158 -2.736 12.345 1.00 1.00 C ATOM 1601 C VAL A 108 72.103 -3.888 11.356 1.00 1.00 C ATOM 1602 O VAL A 108 71.307 -3.861 10.417 1.00 1.00 O ATOM 1603 CB VAL A 108 71.788 -1.423 11.660 1.00 1.00 C ATOM 1604 CG1 VAL A 108 71.746 -0.305 12.700 1.00 1.00 C ATOM 1605 CG2 VAL A 108 72.837 -1.098 10.597 1.00 1.00 C ATOM 0 H VAL A 108 74.037 -1.860 12.603 1.00 1.00 H new ATOM 0 HA VAL A 108 71.437 -2.906 13.145 1.00 1.00 H new ATOM 0 HB VAL A 108 70.809 -1.515 11.189 1.00 1.00 H new ATOM 0 HG11 VAL A 108 71.482 0.634 12.214 1.00 1.00 H new ATOM 0 HG12 VAL A 108 71.001 -0.542 13.460 1.00 1.00 H new ATOM 0 HG13 VAL A 108 72.725 -0.208 13.170 1.00 1.00 H new ATOM 0 HG21 VAL A 108 72.578 -0.161 10.104 1.00 1.00 H new ATOM 0 HG22 VAL A 108 73.815 -1.002 11.068 1.00 1.00 H new ATOM 0 HG23 VAL A 108 72.868 -1.900 9.859 1.00 1.00 H new ATOM 1615 N ILE A 109 72.930 -4.940 11.561 1.00 1.00 N ATOM 1616 CA ILE A 109 72.938 -6.112 10.680 1.00 1.00 C ATOM 1617 C ILE A 109 72.372 -7.348 11.425 1.00 1.00 C ATOM 1618 O ILE A 109 71.585 -8.102 10.854 1.00 1.00 O ATOM 1619 CB ILE A 109 74.387 -6.370 10.102 1.00 1.00 C ATOM 1620 CG1 ILE A 109 74.921 -7.786 10.472 1.00 1.00 C ATOM 1621 CG2 ILE A 109 75.389 -5.284 10.591 1.00 1.00 C ATOM 1622 CD1 ILE A 109 76.273 -8.053 9.796 1.00 1.00 C ATOM 0 H ILE A 109 73.597 -4.993 12.331 1.00 1.00 H new ATOM 0 HA ILE A 109 72.287 -5.920 9.827 1.00 1.00 H new ATOM 0 HB ILE A 109 74.304 -6.313 9.017 1.00 1.00 H new ATOM 0 HG12 ILE A 109 75.028 -7.868 11.554 1.00 1.00 H new ATOM 0 HG13 ILE A 109 74.200 -8.543 10.165 1.00 1.00 H new ATOM 0 HG21 ILE A 109 76.377 -5.488 10.177 1.00 1.00 H new ATOM 0 HG22 ILE A 109 75.052 -4.302 10.259 1.00 1.00 H new ATOM 0 HG23 ILE A 109 75.441 -5.301 11.680 1.00 1.00 H new ATOM 0 HD11 ILE A 109 76.626 -9.047 10.069 1.00 1.00 H new ATOM 0 HD12 ILE A 109 76.157 -7.994 8.714 1.00 1.00 H new ATOM 0 HD13 ILE A 109 76.998 -7.308 10.125 1.00 1.00 H new ATOM 1634 N PRO A 110 72.779 -7.600 12.670 1.00 1.00 N ATOM 1635 CA PRO A 110 72.317 -8.780 13.466 1.00 1.00 C ATOM 1636 C PRO A 110 70.823 -8.676 13.799 1.00 1.00 C ATOM 1637 O PRO A 110 70.142 -9.684 13.984 1.00 1.00 O ATOM 1638 CB PRO A 110 73.192 -8.740 14.744 1.00 1.00 C ATOM 1639 CG PRO A 110 74.328 -7.850 14.380 1.00 1.00 C ATOM 1640 CD PRO A 110 73.691 -6.813 13.487 1.00 1.00 C ATOM 0 HA PRO A 110 72.424 -9.719 12.923 1.00 1.00 H new ATOM 0 HB2 PRO A 110 72.636 -8.348 15.596 1.00 1.00 H new ATOM 0 HB3 PRO A 110 73.539 -9.736 15.021 1.00 1.00 H new ATOM 0 HG2 PRO A 110 74.781 -7.397 15.262 1.00 1.00 H new ATOM 0 HG3 PRO A 110 75.116 -8.396 13.862 1.00 1.00 H new ATOM 0 HD2 PRO A 110 73.163 -6.053 14.064 1.00 1.00 H new ATOM 0 HD3 PRO A 110 74.432 -6.294 12.879 1.00 1.00 H new ATOM 1648 N ASN A 111 70.326 -7.441 13.912 1.00 1.00 N ATOM 1649 CA ASN A 111 68.926 -7.239 14.252 1.00 1.00 C ATOM 1650 C ASN A 111 68.041 -7.700 13.098 1.00 1.00 C ATOM 1651 O ASN A 111 67.342 -8.708 13.220 1.00 1.00 O ATOM 1652 CB ASN A 111 68.686 -5.756 14.547 1.00 1.00 C ATOM 1653 CG ASN A 111 67.193 -5.481 14.672 1.00 1.00 C ATOM 1654 OD1 ASN A 111 66.513 -5.161 13.608 1.00 1.00 O flip ATOM 1655 ND2 ASN A 111 66.635 -5.569 15.765 1.00 1.00 N flip ATOM 0 H ASN A 111 70.864 -6.585 13.775 1.00 1.00 H new ATOM 0 HA ASN A 111 68.676 -7.824 15.137 1.00 1.00 H new ATOM 0 HB2 ASN A 111 69.194 -5.474 15.469 1.00 1.00 H new ATOM 0 HB3 ASN A 111 69.110 -5.146 13.750 1.00 1.00 H new ATOM 0 HD21 ASN A 111 67.174 -5.820 16.594 1.00 1.00 H new ATOM 0 HD22 ASN A 111 65.634 -5.391 15.842 1.00 1.00 H new ATOM 1662 N ILE A 112 68.074 -6.989 11.967 1.00 1.00 N ATOM 1663 CA ILE A 112 67.276 -7.369 10.808 1.00 1.00 C ATOM 1664 C ILE A 112 67.519 -8.827 10.488 1.00 1.00 C ATOM 1665 O ILE A 112 66.702 -9.516 9.905 1.00 1.00 O ATOM 1666 CB ILE A 112 67.731 -6.501 9.629 1.00 1.00 C ATOM 1667 CG1 ILE A 112 69.197 -6.821 9.273 1.00 1.00 C ATOM 1668 CG2 ILE A 112 67.642 -5.032 10.027 1.00 1.00 C ATOM 1669 CD1 ILE A 112 69.671 -5.911 8.135 1.00 1.00 C ATOM 0 H ILE A 112 68.643 -6.153 11.834 1.00 1.00 H new ATOM 0 HA ILE A 112 66.214 -7.224 11.004 1.00 1.00 H new ATOM 0 HB ILE A 112 67.091 -6.705 8.770 1.00 1.00 H new ATOM 0 HG12 ILE A 112 69.831 -6.682 10.149 1.00 1.00 H new ATOM 0 HG13 ILE A 112 69.288 -7.866 8.976 1.00 1.00 H new ATOM 0 HG21 ILE A 112 67.964 -4.409 9.193 1.00 1.00 H new ATOM 0 HG22 ILE A 112 66.612 -4.787 10.286 1.00 1.00 H new ATOM 0 HG23 ILE A 112 68.286 -4.848 10.887 1.00 1.00 H new ATOM 0 HD11 ILE A 112 70.707 -6.144 7.890 1.00 1.00 H new ATOM 0 HD12 ILE A 112 69.046 -6.071 7.257 1.00 1.00 H new ATOM 0 HD13 ILE A 112 69.597 -4.869 8.447 1.00 1.00 H new ATOM 1681 N ASN A 113 68.698 -9.225 10.844 1.00 1.00 N ATOM 1682 CA ASN A 113 69.119 -10.590 10.569 1.00 1.00 C ATOM 1683 C ASN A 113 68.145 -11.524 11.265 1.00 1.00 C ATOM 1684 O ASN A 113 67.595 -12.430 10.642 1.00 1.00 O ATOM 1685 CB ASN A 113 70.550 -10.888 11.000 1.00 1.00 C ATOM 1686 CG ASN A 113 70.785 -12.396 10.991 1.00 1.00 C ATOM 1687 OD1 ASN A 113 71.339 -12.939 10.036 1.00 1.00 O ATOM 1688 ND2 ASN A 113 70.364 -13.108 12.003 1.00 1.00 N ATOM 0 H ASN A 113 69.389 -8.645 11.320 1.00 1.00 H new ATOM 0 HA ASN A 113 69.110 -10.738 9.489 1.00 1.00 H new ATOM 0 HB2 ASN A 113 71.253 -10.396 10.327 1.00 1.00 H new ATOM 0 HB3 ASN A 113 70.731 -10.488 11.998 1.00 1.00 H new ATOM 0 HD21 ASN A 113 70.494 -14.120 12.004 1.00 1.00 H new ATOM 0 HD22 ASN A 113 69.905 -12.652 12.792 1.00 1.00 H new ATOM 1695 N ALA A 114 67.914 -11.315 12.559 1.00 1.00 N ATOM 1696 CA ALA A 114 67.005 -12.162 13.306 1.00 1.00 C ATOM 1697 C ALA A 114 65.589 -12.145 12.731 1.00 1.00 C ATOM 1698 O ALA A 114 64.897 -13.162 12.763 1.00 1.00 O ATOM 1699 CB ALA A 114 66.966 -11.668 14.757 1.00 1.00 C ATOM 0 H ALA A 114 68.344 -10.568 13.105 1.00 1.00 H new ATOM 0 HA ALA A 114 67.368 -13.188 13.245 1.00 1.00 H new ATOM 0 HB1 ALA A 114 66.287 -12.293 15.336 1.00 1.00 H new ATOM 0 HB2 ALA A 114 67.966 -11.724 15.187 1.00 1.00 H new ATOM 0 HB3 ALA A 114 66.618 -10.635 14.781 1.00 1.00 H new ATOM 1705 N ALA A 115 65.168 -11.012 12.170 1.00 1.00 N ATOM 1706 CA ALA A 115 63.843 -10.921 11.560 1.00 1.00 C ATOM 1707 C ALA A 115 63.862 -11.519 10.152 1.00 1.00 C ATOM 1708 O ALA A 115 63.060 -12.357 9.806 1.00 1.00 O ATOM 1709 CB ALA A 115 63.417 -9.451 11.496 1.00 1.00 C ATOM 0 H ALA A 115 65.718 -10.154 12.125 1.00 1.00 H new ATOM 0 HA ALA A 115 63.132 -11.483 12.165 1.00 1.00 H new ATOM 0 HB1 ALA A 115 62.429 -9.378 11.042 1.00 1.00 H new ATOM 0 HB2 ALA A 115 63.384 -9.037 12.504 1.00 1.00 H new ATOM 0 HB3 ALA A 115 64.134 -8.890 10.897 1.00 1.00 H new ATOM 1715 N ILE A 116 64.793 -11.015 9.364 1.00 1.00 N ATOM 1716 CA ILE A 116 64.934 -11.459 7.970 1.00 1.00 C ATOM 1717 C ILE A 116 64.979 -12.992 7.947 1.00 1.00 C ATOM 1718 O ILE A 116 64.161 -13.665 7.334 1.00 1.00 O ATOM 1719 CB ILE A 116 66.224 -10.910 7.347 1.00 1.00 C ATOM 1720 CG1 ILE A 116 66.018 -9.438 6.962 1.00 1.00 C ATOM 1721 CG2 ILE A 116 66.584 -11.730 6.093 1.00 1.00 C ATOM 1722 CD1 ILE A 116 67.333 -8.821 6.456 1.00 1.00 C ATOM 0 H ILE A 116 65.463 -10.303 9.653 1.00 1.00 H new ATOM 0 HA ILE A 116 64.087 -11.088 7.393 1.00 1.00 H new ATOM 0 HB ILE A 116 67.037 -10.985 8.069 1.00 1.00 H new ATOM 0 HG12 ILE A 116 65.253 -9.362 6.189 1.00 1.00 H new ATOM 0 HG13 ILE A 116 65.656 -8.878 7.824 1.00 1.00 H new ATOM 0 HG21 ILE A 116 67.501 -11.338 5.653 1.00 1.00 H new ATOM 0 HG22 ILE A 116 66.732 -12.773 6.371 1.00 1.00 H new ATOM 0 HG23 ILE A 116 65.774 -11.660 5.367 1.00 1.00 H new ATOM 0 HD11 ILE A 116 67.166 -7.778 6.188 1.00 1.00 H new ATOM 0 HD12 ILE A 116 68.087 -8.878 7.241 1.00 1.00 H new ATOM 0 HD13 ILE A 116 67.679 -9.370 5.580 1.00 1.00 H new ATOM 1734 N GLU A 117 65.996 -13.467 8.616 1.00 1.00 N ATOM 1735 CA GLU A 117 66.246 -14.917 8.680 1.00 1.00 C ATOM 1736 C GLU A 117 64.892 -15.589 8.886 1.00 1.00 C ATOM 1737 O GLU A 117 64.489 -16.447 8.101 1.00 1.00 O ATOM 1738 CB GLU A 117 67.253 -15.346 9.749 1.00 1.00 C ATOM 1739 CG GLU A 117 68.671 -14.990 9.281 1.00 1.00 C ATOM 1740 CD GLU A 117 69.701 -15.711 10.142 1.00 1.00 C ATOM 1741 OE1 GLU A 117 69.485 -15.806 11.338 1.00 1.00 O ATOM 1742 OE2 GLU A 117 70.691 -16.160 9.588 1.00 1.00 O ATOM 0 H GLU A 117 66.669 -12.894 9.125 1.00 1.00 H new ATOM 0 HA GLU A 117 66.717 -15.228 7.748 1.00 1.00 H new ATOM 0 HB2 GLU A 117 67.033 -14.848 10.693 1.00 1.00 H new ATOM 0 HB3 GLU A 117 67.175 -16.418 9.929 1.00 1.00 H new ATOM 0 HG2 GLU A 117 68.799 -15.270 8.235 1.00 1.00 H new ATOM 0 HG3 GLU A 117 68.823 -13.912 9.343 1.00 1.00 H new ATOM 1749 N VAL A 118 64.168 -15.136 9.906 1.00 1.00 N ATOM 1750 CA VAL A 118 62.835 -15.665 10.155 1.00 1.00 C ATOM 1751 C VAL A 118 61.962 -15.378 8.922 1.00 1.00 C ATOM 1752 O VAL A 118 61.325 -16.286 8.385 1.00 1.00 O ATOM 1753 CB VAL A 118 62.258 -14.997 11.412 1.00 1.00 C ATOM 1754 CG1 VAL A 118 60.817 -15.454 11.644 1.00 1.00 C ATOM 1755 CG2 VAL A 118 63.118 -15.373 12.627 1.00 1.00 C ATOM 0 H VAL A 118 64.476 -14.417 10.561 1.00 1.00 H new ATOM 0 HA VAL A 118 62.865 -16.741 10.324 1.00 1.00 H new ATOM 0 HB VAL A 118 62.265 -13.916 11.274 1.00 1.00 H new ATOM 0 HG11 VAL A 118 60.422 -14.972 12.538 1.00 1.00 H new ATOM 0 HG12 VAL A 118 60.206 -15.180 10.784 1.00 1.00 H new ATOM 0 HG13 VAL A 118 60.795 -16.536 11.775 1.00 1.00 H new ATOM 0 HG21 VAL A 118 62.711 -14.900 13.521 1.00 1.00 H new ATOM 0 HG22 VAL A 118 63.114 -16.455 12.755 1.00 1.00 H new ATOM 0 HG23 VAL A 118 64.141 -15.030 12.469 1.00 1.00 H new ATOM 1765 N LEU A 119 61.915 -14.107 8.495 1.00 1.00 N ATOM 1766 CA LEU A 119 61.086 -13.749 7.345 1.00 1.00 C ATOM 1767 C LEU A 119 61.456 -14.721 6.215 1.00 1.00 C ATOM 1768 O LEU A 119 60.642 -15.563 5.830 1.00 1.00 O ATOM 1769 CB LEU A 119 61.411 -12.286 6.935 1.00 1.00 C ATOM 1770 CG LEU A 119 60.193 -11.603 6.272 1.00 1.00 C ATOM 1771 CD1 LEU A 119 59.279 -10.991 7.342 1.00 1.00 C ATOM 1772 CD2 LEU A 119 60.674 -10.479 5.340 1.00 1.00 C ATOM 0 H LEU A 119 62.427 -13.333 8.918 1.00 1.00 H new ATOM 0 HA LEU A 119 60.021 -13.816 7.568 1.00 1.00 H new ATOM 0 HB2 LEU A 119 61.714 -11.719 7.815 1.00 1.00 H new ATOM 0 HB3 LEU A 119 62.255 -12.279 6.245 1.00 1.00 H new ATOM 0 HG LEU A 119 59.642 -12.353 5.705 1.00 1.00 H new ATOM 0 HD11 LEU A 119 58.425 -10.513 6.861 1.00 1.00 H new ATOM 0 HD12 LEU A 119 58.926 -11.776 8.011 1.00 1.00 H new ATOM 0 HD13 LEU A 119 59.835 -10.249 7.914 1.00 1.00 H new ATOM 0 HD21 LEU A 119 59.813 -9.999 4.874 1.00 1.00 H new ATOM 0 HD22 LEU A 119 61.232 -9.742 5.917 1.00 1.00 H new ATOM 0 HD23 LEU A 119 61.318 -10.898 4.567 1.00 1.00 H new ATOM 1784 N GLY A 120 62.672 -14.584 5.672 1.00 1.00 N ATOM 1785 CA GLY A 120 63.075 -15.472 4.589 1.00 1.00 C ATOM 1786 C GLY A 120 63.366 -16.887 5.113 1.00 1.00 C ATOM 1787 O GLY A 120 62.500 -17.755 5.108 1.00 1.00 O ATOM 0 H GLY A 120 63.367 -13.893 5.955 1.00 1.00 H new ATOM 0 HA2 GLY A 120 62.287 -15.514 3.837 1.00 1.00 H new ATOM 0 HA3 GLY A 120 63.963 -15.073 4.098 1.00 1.00 H new ATOM 1791 N THR A 121 64.597 -17.038 5.581 1.00 1.00 N ATOM 1792 CA THR A 121 65.091 -18.307 6.151 1.00 1.00 C ATOM 1793 C THR A 121 66.598 -18.293 6.401 1.00 1.00 C ATOM 1794 O THR A 121 67.072 -18.860 7.384 1.00 1.00 O ATOM 1795 CB THR A 121 64.763 -19.498 5.204 1.00 1.00 C ATOM 1796 OG1 THR A 121 63.365 -19.707 5.136 1.00 1.00 O ATOM 1797 CG2 THR A 121 65.404 -20.792 5.725 1.00 1.00 C ATOM 0 H THR A 121 65.291 -16.290 5.581 1.00 1.00 H new ATOM 0 HA THR A 121 64.583 -18.426 7.108 1.00 1.00 H new ATOM 0 HB THR A 121 65.157 -19.251 4.218 1.00 1.00 H new ATOM 0 HG1 THR A 121 62.901 -18.952 5.555 1.00 1.00 H new ATOM 0 HG21 THR A 121 65.164 -21.614 5.051 1.00 1.00 H new ATOM 0 HG22 THR A 121 66.486 -20.668 5.775 1.00 1.00 H new ATOM 0 HG23 THR A 121 65.018 -21.014 6.720 1.00 1.00 H new ATOM 1805 N GLY A 122 67.357 -17.704 5.485 1.00 1.00 N ATOM 1806 CA GLY A 122 68.821 -17.714 5.600 1.00 1.00 C ATOM 1807 C GLY A 122 69.330 -18.802 4.660 1.00 1.00 C ATOM 1808 O GLY A 122 70.490 -18.820 4.267 1.00 1.00 O ATOM 0 H GLY A 122 66.996 -17.219 4.664 1.00 1.00 H new ATOM 0 HA2 GLY A 122 69.237 -16.744 5.329 1.00 1.00 H new ATOM 0 HA3 GLY A 122 69.127 -17.916 6.627 1.00 1.00 H new ATOM 1812 N THR A 123 68.383 -19.683 4.319 1.00 1.00 N ATOM 1813 CA THR A 123 68.680 -20.789 3.387 1.00 1.00 C ATOM 1814 C THR A 123 69.302 -20.110 2.162 1.00 1.00 C ATOM 1815 O THR A 123 68.635 -19.833 1.167 1.00 1.00 O ATOM 1816 CB THR A 123 67.431 -21.590 2.991 1.00 1.00 C ATOM 1817 OG1 THR A 123 67.825 -22.657 2.143 1.00 1.00 O ATOM 1818 CG2 THR A 123 66.413 -20.700 2.256 1.00 1.00 C ATOM 0 H THR A 123 67.423 -19.659 4.663 1.00 1.00 H new ATOM 0 HA THR A 123 69.343 -21.519 3.851 1.00 1.00 H new ATOM 0 HB THR A 123 66.956 -21.974 3.894 1.00 1.00 H new ATOM 0 HG1 THR A 123 67.036 -23.177 1.884 1.00 1.00 H new ATOM 0 HG21 THR A 123 65.539 -21.293 1.987 1.00 1.00 H new ATOM 0 HG22 THR A 123 66.109 -19.880 2.907 1.00 1.00 H new ATOM 0 HG23 THR A 123 66.869 -20.296 1.352 1.00 1.00 H new ATOM 1826 N ASP A 124 70.609 -19.871 2.280 1.00 1.00 N ATOM 1827 CA ASP A 124 71.395 -19.241 1.223 1.00 1.00 C ATOM 1828 C ASP A 124 72.891 -19.280 1.540 1.00 1.00 C ATOM 1829 O ASP A 124 73.315 -19.804 2.570 1.00 1.00 O ATOM 1830 CB ASP A 124 70.938 -17.783 1.046 1.00 1.00 C ATOM 1831 CG ASP A 124 69.706 -17.718 0.144 1.00 1.00 C ATOM 1832 OD1 ASP A 124 69.863 -17.900 -1.051 1.00 1.00 O ATOM 1833 OD2 ASP A 124 68.623 -17.500 0.665 1.00 1.00 O ATOM 0 H ASP A 124 71.150 -20.109 3.111 1.00 1.00 H new ATOM 0 HA ASP A 124 71.234 -19.797 0.299 1.00 1.00 H new ATOM 0 HB2 ASP A 124 70.709 -17.346 2.018 1.00 1.00 H new ATOM 0 HB3 ASP A 124 71.745 -17.192 0.613 1.00 1.00 H new ATOM 1838 N TYR A 125 73.665 -18.637 0.663 1.00 1.00 N ATOM 1839 CA TYR A 125 75.109 -18.488 0.844 1.00 1.00 C ATOM 1840 C TYR A 125 75.548 -17.130 0.272 1.00 1.00 C ATOM 1841 O TYR A 125 75.006 -16.677 -0.736 1.00 1.00 O ATOM 1842 CB TYR A 125 75.877 -19.627 0.171 1.00 1.00 C ATOM 1843 CG TYR A 125 77.362 -19.362 0.307 1.00 1.00 C ATOM 1844 CD1 TYR A 125 77.990 -19.479 1.553 1.00 1.00 C ATOM 1845 CD2 TYR A 125 78.106 -18.986 -0.814 1.00 1.00 C ATOM 1846 CE1 TYR A 125 79.362 -19.221 1.674 1.00 1.00 C ATOM 1847 CE2 TYR A 125 79.478 -18.730 -0.696 1.00 1.00 C ATOM 1848 CZ TYR A 125 80.106 -18.847 0.549 1.00 1.00 C ATOM 1849 OH TYR A 125 81.457 -18.590 0.667 1.00 1.00 O ATOM 0 H TYR A 125 73.309 -18.206 -0.190 1.00 1.00 H new ATOM 0 HA TYR A 125 75.336 -18.530 1.909 1.00 1.00 H new ATOM 0 HB2 TYR A 125 75.620 -20.580 0.633 1.00 1.00 H new ATOM 0 HB3 TYR A 125 75.601 -19.698 -0.881 1.00 1.00 H new ATOM 0 HD1 TYR A 125 77.417 -19.768 2.421 1.00 1.00 H new ATOM 0 HD2 TYR A 125 77.622 -18.892 -1.775 1.00 1.00 H new ATOM 0 HE1 TYR A 125 79.845 -19.311 2.636 1.00 1.00 H new ATOM 0 HE2 TYR A 125 80.051 -18.443 -1.565 1.00 1.00 H new ATOM 0 HH TYR A 125 81.821 -18.344 -0.209 1.00 1.00 H new ATOM 1859 N ARG A 126 76.534 -16.492 0.912 1.00 1.00 N ATOM 1860 CA ARG A 126 77.047 -15.186 0.462 1.00 1.00 C ATOM 1861 C ARG A 126 78.548 -15.090 0.753 1.00 1.00 C ATOM 1862 O ARG A 126 79.025 -15.636 1.747 1.00 1.00 O ATOM 1863 CB ARG A 126 76.314 -14.041 1.205 1.00 1.00 C ATOM 1864 CG ARG A 126 74.999 -13.665 0.491 1.00 1.00 C ATOM 1865 CD ARG A 126 75.264 -12.622 -0.607 1.00 1.00 C ATOM 1866 NE ARG A 126 74.034 -12.347 -1.346 1.00 1.00 N ATOM 1867 CZ ARG A 126 73.687 -13.085 -2.397 1.00 1.00 C ATOM 1868 NH1 ARG A 126 74.449 -14.074 -2.772 1.00 1.00 N ATOM 1869 NH2 ARG A 126 72.585 -12.825 -3.049 1.00 1.00 N ATOM 0 H ARG A 126 76.996 -16.857 1.745 1.00 1.00 H new ATOM 0 HA ARG A 126 76.873 -15.093 -0.610 1.00 1.00 H new ATOM 0 HB2 ARG A 126 76.100 -14.347 2.229 1.00 1.00 H new ATOM 0 HB3 ARG A 126 76.963 -13.167 1.262 1.00 1.00 H new ATOM 0 HG2 ARG A 126 74.548 -14.556 0.054 1.00 1.00 H new ATOM 0 HG3 ARG A 126 74.286 -13.268 1.214 1.00 1.00 H new ATOM 0 HD2 ARG A 126 75.643 -11.702 -0.162 1.00 1.00 H new ATOM 0 HD3 ARG A 126 76.033 -12.987 -1.288 1.00 1.00 H new ATOM 0 HE ARG A 126 73.432 -11.578 -1.052 1.00 1.00 H new ATOM 0 HH11 ARG A 126 75.307 -14.279 -2.260 1.00 1.00 H new ATOM 0 HH12 ARG A 126 74.187 -14.643 -3.577 1.00 1.00 H new ATOM 0 HH21 ARG A 126 71.987 -12.054 -2.753 1.00 1.00 H new ATOM 0 HH22 ARG A 126 72.323 -13.393 -3.854 1.00 1.00 H new ATOM 1883 N PHE A 127 79.292 -14.387 -0.104 1.00 1.00 N ATOM 1884 CA PHE A 127 80.735 -14.226 0.098 1.00 1.00 C ATOM 1885 C PHE A 127 81.211 -12.886 -0.469 1.00 1.00 C ATOM 1886 O PHE A 127 82.407 -12.642 -0.433 1.00 1.00 O ATOM 1887 CB PHE A 127 81.498 -15.397 -0.561 1.00 1.00 C ATOM 1888 CG PHE A 127 81.778 -15.106 -2.024 1.00 1.00 C ATOM 1889 CD1 PHE A 127 80.777 -14.556 -2.834 1.00 1.00 C ATOM 1890 CD2 PHE A 127 83.041 -15.381 -2.564 1.00 1.00 C ATOM 1891 CE1 PHE A 127 81.037 -14.280 -4.179 1.00 1.00 C ATOM 1892 CE2 PHE A 127 83.301 -15.105 -3.913 1.00 1.00 C ATOM 1893 CZ PHE A 127 82.298 -14.556 -4.720 1.00 1.00 C ATOM 1894 OXT PHE A 127 80.374 -12.131 -0.935 1.00 1.00 O ATOM 0 H PHE A 127 78.925 -13.925 -0.936 1.00 1.00 H new ATOM 0 HA PHE A 127 80.941 -14.235 1.168 1.00 1.00 H new ATOM 0 HB2 PHE A 127 82.437 -15.567 -0.034 1.00 1.00 H new ATOM 0 HB3 PHE A 127 80.913 -16.313 -0.474 1.00 1.00 H new ATOM 0 HD1 PHE A 127 79.803 -14.345 -2.419 1.00 1.00 H new ATOM 0 HD2 PHE A 127 83.814 -15.806 -1.941 1.00 1.00 H new ATOM 0 HE1 PHE A 127 80.264 -13.853 -4.801 1.00 1.00 H new ATOM 0 HE2 PHE A 127 84.275 -15.316 -4.330 1.00 1.00 H new ATOM 0 HZ PHE A 127 82.497 -14.345 -5.760 1.00 1.00 H new