USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 290 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 Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.513 X(o=-0.51,f=-0.025) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0436 X(o=-0.044,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.29) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.132 F(o=-1.2,f=-0.13) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 4.296 -4.602 -4.886 1.00 45.03 N ATOM 2 CA ASP A 1 2.967 -4.701 -5.478 1.00 45.25 C ATOM 3 C ASP A 1 2.144 -3.452 -5.178 1.00 24.10 C ATOM 4 O ASP A 1 1.055 -3.536 -4.611 1.00 63.12 O ATOM 5 CB ASP A 1 2.244 -5.942 -4.955 1.00 35.22 C ATOM 6 CG ASP A 1 0.947 -6.211 -5.694 1.00 23.34 C ATOM 7 OD1 ASP A 1 0.659 -5.486 -6.668 1.00 14.31 O ATOM 8 OD2 ASP A 1 0.221 -7.147 -5.297 1.00 41.10 O ATOM 0 H1 ASP A 1 4.838 -5.463 -5.103 1.00 45.03 H new ATOM 0 H2 ASP A 1 4.790 -3.774 -5.277 1.00 45.03 H new ATOM 0 H3 ASP A 1 4.210 -4.498 -3.855 1.00 45.03 H new ATOM 0 HA ASP A 1 3.083 -4.786 -6.558 1.00 45.25 H new ATOM 0 HB2 ASP A 1 2.899 -6.808 -5.050 1.00 35.22 H new ATOM 0 HB3 ASP A 1 2.034 -5.816 -3.893 1.00 35.22 H new ATOM 13 N ALA A 2 2.673 -2.295 -5.561 1.00 4.41 N ATOM 14 CA ALA A 2 1.987 -1.029 -5.333 1.00 45.23 C ATOM 15 C ALA A 2 1.570 -0.386 -6.652 1.00 2.34 C ATOM 16 O ALA A 2 2.350 -0.338 -7.603 1.00 15.34 O ATOM 17 CB ALA A 2 2.876 -0.082 -4.540 1.00 61.11 C ATOM 0 H ALA A 2 3.574 -2.208 -6.031 1.00 4.41 H new ATOM 0 HA ALA A 2 1.085 -1.231 -4.756 1.00 45.23 H new ATOM 0 HB1 ALA A 2 2.351 0.859 -4.377 1.00 61.11 H new ATOM 0 HB2 ALA A 2 3.120 -0.532 -3.578 1.00 61.11 H new ATOM 0 HB3 ALA A 2 3.794 0.106 -5.096 1.00 61.11 H new ATOM 23 N GLU A 3 0.336 0.106 -6.700 1.00 42.34 N ATOM 24 CA GLU A 3 -0.184 0.745 -7.904 1.00 22.13 C ATOM 25 C GLU A 3 0.217 2.216 -7.955 1.00 40.43 C ATOM 26 O GLU A 3 0.402 2.858 -6.921 1.00 34.33 O ATOM 27 CB GLU A 3 -1.708 0.618 -7.957 1.00 63.14 C ATOM 28 CG GLU A 3 -2.280 0.741 -9.360 1.00 23.13 C ATOM 29 CD GLU A 3 -3.776 0.499 -9.403 1.00 11.34 C ATOM 30 OE1 GLU A 3 -4.207 -0.619 -9.054 1.00 73.51 O ATOM 31 OE2 GLU A 3 -4.516 1.430 -9.785 1.00 1.21 O ATOM 0 H GLU A 3 -0.321 0.075 -5.921 1.00 42.34 H new ATOM 0 HA GLU A 3 0.246 0.239 -8.768 1.00 22.13 H new ATOM 0 HB2 GLU A 3 -1.999 -0.345 -7.538 1.00 63.14 H new ATOM 0 HB3 GLU A 3 -2.151 1.387 -7.324 1.00 63.14 H new ATOM 0 HG2 GLU A 3 -2.065 1.736 -9.750 1.00 23.13 H new ATOM 0 HG3 GLU A 3 -1.781 0.027 -10.016 1.00 23.13 H new ATOM 38 N PHE A 4 0.350 2.745 -9.167 1.00 45.02 N ATOM 39 CA PHE A 4 0.731 4.140 -9.355 1.00 51.21 C ATOM 40 C PHE A 4 -0.391 4.924 -10.030 1.00 31.23 C ATOM 41 O PHE A 4 -0.590 6.107 -9.753 1.00 63.11 O ATOM 42 CB PHE A 4 2.009 4.234 -10.192 1.00 15.32 C ATOM 43 CG PHE A 4 1.954 3.434 -11.461 1.00 71.34 C ATOM 44 CD1 PHE A 4 2.286 2.089 -11.463 1.00 21.54 C ATOM 45 CD2 PHE A 4 1.570 4.026 -12.654 1.00 13.14 C ATOM 46 CE1 PHE A 4 2.237 1.350 -12.630 1.00 24.12 C ATOM 47 CE2 PHE A 4 1.519 3.292 -13.824 1.00 13.31 C ATOM 48 CZ PHE A 4 1.852 1.952 -13.812 1.00 1.24 C ATOM 0 H PHE A 4 0.200 2.229 -10.034 1.00 45.02 H new ATOM 0 HA PHE A 4 0.915 4.576 -8.373 1.00 51.21 H new ATOM 0 HB2 PHE A 4 2.196 5.279 -10.439 1.00 15.32 H new ATOM 0 HB3 PHE A 4 2.853 3.892 -9.592 1.00 15.32 H new ATOM 0 HD1 PHE A 4 2.587 1.612 -10.542 1.00 21.54 H new ATOM 0 HD2 PHE A 4 1.307 5.073 -12.670 1.00 13.14 H new ATOM 0 HE1 PHE A 4 2.500 0.302 -12.618 1.00 24.12 H new ATOM 0 HE2 PHE A 4 1.219 3.766 -14.747 1.00 13.31 H new ATOM 0 HZ PHE A 4 1.812 1.376 -14.725 1.00 1.24 H new ATOM 58 N ARG A 5 -1.121 4.255 -10.916 1.00 53.44 N ATOM 59 CA ARG A 5 -2.222 4.889 -11.632 1.00 72.44 C ATOM 60 C ARG A 5 -3.487 4.039 -11.546 1.00 41.22 C ATOM 61 O ARG A 5 -3.459 2.837 -11.813 1.00 15.24 O ATOM 62 CB ARG A 5 -1.844 5.112 -13.098 1.00 11.23 C ATOM 63 CG ARG A 5 -0.922 6.301 -13.314 1.00 61.12 C ATOM 64 CD ARG A 5 -1.707 7.592 -13.481 1.00 54.24 C ATOM 65 NE ARG A 5 -2.545 7.573 -14.678 1.00 23.52 N ATOM 66 CZ ARG A 5 -2.071 7.727 -15.909 1.00 41.41 C ATOM 67 NH1 ARG A 5 -0.773 7.912 -16.105 1.00 24.00 N ATOM 68 NH2 ARG A 5 -2.896 7.697 -16.948 1.00 13.34 N ATOM 0 H ARG A 5 -0.970 3.275 -11.155 1.00 53.44 H new ATOM 0 HA ARG A 5 -2.420 5.853 -11.164 1.00 72.44 H new ATOM 0 HB2 ARG A 5 -1.360 4.213 -13.481 1.00 11.23 H new ATOM 0 HB3 ARG A 5 -2.753 5.257 -13.681 1.00 11.23 H new ATOM 0 HG2 ARG A 5 -0.242 6.394 -12.467 1.00 61.12 H new ATOM 0 HG3 ARG A 5 -0.308 6.131 -14.198 1.00 61.12 H new ATOM 0 HD2 ARG A 5 -2.333 7.752 -12.603 1.00 54.24 H new ATOM 0 HD3 ARG A 5 -1.015 8.432 -13.536 1.00 54.24 H new ATOM 0 HE ARG A 5 -3.549 7.434 -14.562 1.00 23.52 H new ATOM 0 HH11 ARG A 5 -0.135 7.936 -15.309 1.00 24.00 H new ATOM 0 HH12 ARG A 5 -0.412 8.030 -17.052 1.00 24.00 H new ATOM 0 HH21 ARG A 5 -3.895 7.556 -16.802 1.00 13.34 H new ATOM 0 HH22 ARG A 5 -2.531 7.815 -17.893 1.00 13.34 H new ATOM 82 N HIS A 6 -4.594 4.672 -11.172 1.00 13.12 N ATOM 83 CA HIS A 6 -5.870 3.975 -11.050 1.00 65.54 C ATOM 84 C HIS A 6 -6.893 4.540 -12.030 1.00 73.33 C ATOM 85 O HIS A 6 -8.042 4.793 -11.666 1.00 23.10 O ATOM 86 CB HIS A 6 -6.400 4.084 -9.621 1.00 34.53 C ATOM 87 CG HIS A 6 -7.415 3.037 -9.277 1.00 55.13 C ATOM 88 ND1 HIS A 6 -7.621 2.580 -7.993 1.00 5.45 N ATOM 89 CD2 HIS A 6 -8.287 2.359 -10.060 1.00 20.42 C ATOM 90 CE1 HIS A 6 -8.573 1.665 -8.000 1.00 1.03 C ATOM 91 NE2 HIS A 6 -8.994 1.512 -9.242 1.00 55.11 N ATOM 0 H HIS A 6 -4.634 5.666 -10.948 1.00 13.12 H new ATOM 0 HA HIS A 6 -5.706 2.924 -11.289 1.00 65.54 H new ATOM 0 HB2 HIS A 6 -5.564 4.010 -8.926 1.00 34.53 H new ATOM 0 HB3 HIS A 6 -6.845 5.069 -9.481 1.00 34.53 H new ATOM 0 HD2 HIS A 6 -8.405 2.465 -11.128 1.00 20.42 H new ATOM 0 HE1 HIS A 6 -8.944 1.132 -7.137 1.00 1.03 H new ATOM 0 HE2 HIS A 6 -9.726 0.869 -9.545 1.00 55.11 H new ATOM 99 N ASP A 7 -6.469 4.736 -13.274 1.00 32.32 N ATOM 100 CA ASP A 7 -7.349 5.271 -14.306 1.00 71.34 C ATOM 101 C ASP A 7 -6.669 5.236 -15.671 1.00 61.15 C ATOM 102 O ASP A 7 -5.446 5.332 -15.769 1.00 64.41 O ATOM 103 CB ASP A 7 -7.760 6.704 -13.964 1.00 31.40 C ATOM 104 CG ASP A 7 -9.028 7.129 -14.678 1.00 71.51 C ATOM 105 OD1 ASP A 7 -10.115 6.650 -14.293 1.00 34.42 O ATOM 106 OD2 ASP A 7 -8.933 7.941 -15.622 1.00 34.43 O ATOM 0 H ASP A 7 -5.521 4.532 -13.592 1.00 32.32 H new ATOM 0 HA ASP A 7 -8.241 4.646 -14.348 1.00 71.34 H new ATOM 0 HB2 ASP A 7 -7.907 6.790 -12.887 1.00 31.40 H new ATOM 0 HB3 ASP A 7 -6.951 7.384 -14.230 1.00 31.40 H new ATOM 111 N SER A 8 -7.470 5.097 -16.723 1.00 12.31 N ATOM 112 CA SER A 8 -6.945 5.045 -18.082 1.00 73.33 C ATOM 113 C SER A 8 -6.279 6.365 -18.459 1.00 31.42 C ATOM 114 O SER A 8 -6.349 7.342 -17.716 1.00 11.53 O ATOM 115 CB SER A 8 -8.067 4.726 -19.073 1.00 20.23 C ATOM 116 OG SER A 8 -8.593 3.430 -18.847 1.00 73.50 O ATOM 0 H SER A 8 -8.485 5.018 -16.660 1.00 12.31 H new ATOM 0 HA SER A 8 -6.195 4.255 -18.125 1.00 73.33 H new ATOM 0 HB2 SER A 8 -8.862 5.466 -18.978 1.00 20.23 H new ATOM 0 HB3 SER A 8 -7.687 4.795 -20.092 1.00 20.23 H new ATOM 0 HG SER A 8 -9.309 3.251 -19.491 1.00 73.50 H new ATOM 122 N GLY A 9 -5.632 6.384 -19.620 1.00 61.43 N ATOM 123 CA GLY A 9 -4.962 7.587 -20.076 1.00 42.34 C ATOM 124 C GLY A 9 -5.259 7.901 -21.529 1.00 64.25 C ATOM 125 O GLY A 9 -6.100 8.748 -21.830 1.00 10.14 O ATOM 0 H GLY A 9 -5.560 5.587 -20.253 1.00 61.43 H new ATOM 0 HA2 GLY A 9 -5.270 8.428 -19.455 1.00 42.34 H new ATOM 0 HA3 GLY A 9 -3.886 7.472 -19.945 1.00 42.34 H new ATOM 129 N TYR A 10 -4.566 7.218 -22.434 1.00 25.13 N ATOM 130 CA TYR A 10 -4.756 7.431 -23.863 1.00 52.05 C ATOM 131 C TYR A 10 -4.423 6.168 -24.652 1.00 21.03 C ATOM 132 O TYR A 10 -3.905 5.198 -24.100 1.00 21.03 O ATOM 133 CB TYR A 10 -3.886 8.592 -24.348 1.00 13.22 C ATOM 134 CG TYR A 10 -4.456 9.316 -25.547 1.00 4.21 C ATOM 135 CD1 TYR A 10 -5.646 10.027 -25.454 1.00 21.42 C ATOM 136 CD2 TYR A 10 -3.802 9.290 -26.773 1.00 53.41 C ATOM 137 CE1 TYR A 10 -6.170 10.689 -26.547 1.00 61.21 C ATOM 138 CE2 TYR A 10 -4.318 9.951 -27.871 1.00 72.13 C ATOM 139 CZ TYR A 10 -5.502 10.648 -27.753 1.00 54.25 C ATOM 140 OH TYR A 10 -6.020 11.308 -28.844 1.00 74.35 O ATOM 0 H TYR A 10 -3.867 6.512 -22.202 1.00 25.13 H new ATOM 0 HA TYR A 10 -5.805 7.677 -24.031 1.00 52.05 H new ATOM 0 HB2 TYR A 10 -3.756 9.303 -23.532 1.00 13.22 H new ATOM 0 HB3 TYR A 10 -2.896 8.212 -24.600 1.00 13.22 H new ATOM 0 HD1 TYR A 10 -6.170 10.063 -24.511 1.00 21.42 H new ATOM 0 HD2 TYR A 10 -2.875 8.744 -26.869 1.00 53.41 H new ATOM 0 HE1 TYR A 10 -7.097 11.235 -26.458 1.00 61.21 H new ATOM 0 HE2 TYR A 10 -3.797 9.922 -28.817 1.00 72.13 H new ATOM 0 HH TYR A 10 -5.428 11.181 -29.615 1.00 74.35 H new ATOM 150 N GLU A 11 -4.724 6.190 -25.946 1.00 71.54 N ATOM 151 CA GLU A 11 -4.457 5.046 -26.811 1.00 41.43 C ATOM 152 C GLU A 11 -2.986 5.001 -27.214 1.00 24.45 C ATOM 153 O GLU A 11 -2.513 4.010 -27.771 1.00 31.45 O ATOM 154 CB GLU A 11 -5.337 5.108 -28.061 1.00 71.44 C ATOM 155 CG GLU A 11 -5.237 6.425 -28.812 1.00 61.33 C ATOM 156 CD GLU A 11 -5.692 6.310 -30.254 1.00 52.32 C ATOM 157 OE1 GLU A 11 -5.228 5.385 -30.952 1.00 31.41 O ATOM 158 OE2 GLU A 11 -6.514 7.147 -30.684 1.00 45.14 O ATOM 0 H GLU A 11 -5.152 6.986 -26.419 1.00 71.54 H new ATOM 0 HA GLU A 11 -4.692 4.139 -26.254 1.00 41.43 H new ATOM 0 HB2 GLU A 11 -5.058 4.295 -28.732 1.00 71.44 H new ATOM 0 HB3 GLU A 11 -6.375 4.942 -27.773 1.00 71.44 H new ATOM 0 HG2 GLU A 11 -5.841 7.176 -28.303 1.00 61.33 H new ATOM 0 HG3 GLU A 11 -4.205 6.776 -28.787 1.00 61.33 H new ATOM 165 N VAL A 12 -2.266 6.081 -26.928 1.00 11.24 N ATOM 166 CA VAL A 12 -0.849 6.165 -27.258 1.00 44.45 C ATOM 167 C VAL A 12 -0.090 4.949 -26.740 1.00 71.10 C ATOM 168 O VAL A 12 0.027 4.745 -25.531 1.00 40.51 O ATOM 169 CB VAL A 12 -0.211 7.441 -26.676 1.00 31.21 C ATOM 170 CG1 VAL A 12 -0.476 7.535 -25.181 1.00 42.40 C ATOM 171 CG2 VAL A 12 1.282 7.469 -26.964 1.00 63.11 C ATOM 0 H VAL A 12 -2.641 6.910 -26.468 1.00 11.24 H new ATOM 0 HA VAL A 12 -0.780 6.196 -28.345 1.00 44.45 H new ATOM 0 HB VAL A 12 -0.666 8.307 -27.157 1.00 31.21 H new ATOM 0 HG11 VAL A 12 -0.018 8.442 -24.787 1.00 42.40 H new ATOM 0 HG12 VAL A 12 -1.551 7.564 -25.003 1.00 42.40 H new ATOM 0 HG13 VAL A 12 -0.049 6.666 -24.680 1.00 42.40 H new ATOM 0 HG21 VAL A 12 1.716 8.377 -26.546 1.00 63.11 H new ATOM 0 HG22 VAL A 12 1.756 6.598 -26.511 1.00 63.11 H new ATOM 0 HG23 VAL A 12 1.445 7.452 -28.042 1.00 63.11 H new ATOM 181 N HIS A 13 0.425 4.142 -27.663 1.00 34.15 N ATOM 182 CA HIS A 13 1.174 2.945 -27.299 1.00 31.53 C ATOM 183 C HIS A 13 2.561 3.309 -26.779 1.00 23.11 C ATOM 184 O HIS A 13 3.194 2.528 -26.067 1.00 34.01 O ATOM 185 CB HIS A 13 1.297 2.009 -28.502 1.00 33.13 C ATOM 186 CG HIS A 13 0.130 1.083 -28.662 1.00 42.31 C ATOM 187 ND1 HIS A 13 0.159 -0.030 -29.475 1.00 41.14 N ATOM 188 CD2 HIS A 13 -1.104 1.109 -28.106 1.00 43.54 C ATOM 189 CE1 HIS A 13 -1.007 -0.647 -29.414 1.00 72.44 C ATOM 190 NE2 HIS A 13 -1.791 0.024 -28.590 1.00 32.40 N ATOM 0 H HIS A 13 0.337 4.296 -28.668 1.00 34.15 H new ATOM 0 HA HIS A 13 0.630 2.434 -26.505 1.00 31.53 H new ATOM 0 HB2 HIS A 13 1.403 2.606 -29.407 1.00 33.13 H new ATOM 0 HB3 HIS A 13 2.208 1.419 -28.401 1.00 33.13 H new ATOM 0 HD2 HIS A 13 -1.478 1.846 -27.411 1.00 43.54 H new ATOM 0 HE1 HIS A 13 -1.274 -1.547 -29.947 1.00 72.44 H new ATOM 0 HE2 HIS A 13 -2.751 -0.224 -28.352 1.00 32.40 H new ATOM 198 N HIS A 14 3.030 4.499 -27.140 1.00 55.40 N ATOM 199 CA HIS A 14 4.343 4.967 -26.710 1.00 55.11 C ATOM 200 C HIS A 14 4.436 4.999 -25.188 1.00 23.44 C ATOM 201 O HIS A 14 5.525 4.905 -24.622 1.00 63.11 O ATOM 202 CB HIS A 14 4.623 6.358 -27.279 1.00 2.31 C ATOM 203 CG HIS A 14 4.370 6.466 -28.751 1.00 74.20 C ATOM 204 ND1 HIS A 14 4.525 5.407 -29.621 1.00 12.12 N ATOM 205 CD2 HIS A 14 3.967 7.515 -29.506 1.00 24.02 C ATOM 206 CE1 HIS A 14 4.231 5.801 -30.847 1.00 71.21 C ATOM 207 NE2 HIS A 14 3.889 7.076 -30.805 1.00 21.04 N ATOM 0 H HIS A 14 2.520 5.157 -27.729 1.00 55.40 H new ATOM 0 HA HIS A 14 5.092 4.271 -27.088 1.00 55.11 H new ATOM 0 HB2 HIS A 14 4.002 7.086 -26.758 1.00 2.31 H new ATOM 0 HB3 HIS A 14 5.661 6.622 -27.077 1.00 2.31 H new ATOM 0 HD2 HIS A 14 3.748 8.512 -29.153 1.00 24.02 H new ATOM 0 HE1 HIS A 14 4.265 5.185 -31.733 1.00 71.21 H new ATOM 0 HE2 HIS A 14 3.612 7.642 -31.607 1.00 21.04 H new ATOM 215 N GLN A 15 3.288 5.132 -24.531 1.00 61.14 N ATOM 216 CA GLN A 15 3.242 5.177 -23.075 1.00 1.32 C ATOM 217 C GLN A 15 3.437 3.786 -22.480 1.00 41.44 C ATOM 218 O GLN A 15 3.545 3.629 -21.264 1.00 72.41 O ATOM 219 CB GLN A 15 1.910 5.764 -22.604 1.00 4.15 C ATOM 220 CG GLN A 15 0.801 4.732 -22.478 1.00 3.11 C ATOM 221 CD GLN A 15 -0.581 5.352 -22.525 1.00 51.52 C ATOM 222 OE1 GLN A 15 -0.776 6.423 -21.764 1.00 25.33 O flip ATOM 223 NE2 GLN A 15 -1.465 4.875 -23.238 1.00 52.14 N flip ATOM 0 H GLN A 15 2.378 5.210 -24.984 1.00 61.14 H new ATOM 0 HA GLN A 15 4.055 5.816 -22.731 1.00 1.32 H new ATOM 0 HB2 GLN A 15 2.057 6.247 -21.638 1.00 4.15 H new ATOM 0 HB3 GLN A 15 1.596 6.539 -23.304 1.00 4.15 H new ATOM 0 HG2 GLN A 15 0.895 4.003 -23.283 1.00 3.11 H new ATOM 0 HG3 GLN A 15 0.920 4.189 -21.540 1.00 3.11 H new ATOM 0 HE21 GLN A 15 -1.272 4.051 -23.807 1.00 52.14 H new ATOM 0 HE22 GLN A 15 -2.390 5.304 -23.259 1.00 52.14 H new ATOM 232 N LYS A 16 3.481 2.779 -23.346 1.00 44.30 N ATOM 233 CA LYS A 16 3.664 1.401 -22.908 1.00 62.31 C ATOM 234 C LYS A 16 4.875 1.278 -21.988 1.00 51.13 C ATOM 235 O LYS A 16 4.952 0.365 -21.165 1.00 50.00 O ATOM 236 CB LYS A 16 3.834 0.478 -24.117 1.00 75.02 C ATOM 237 CG LYS A 16 3.969 -0.989 -23.748 1.00 62.23 C ATOM 238 CD LYS A 16 2.638 -1.581 -23.318 1.00 32.42 C ATOM 239 CE LYS A 16 2.829 -2.735 -22.345 1.00 63.35 C ATOM 240 NZ LYS A 16 3.369 -3.947 -23.022 1.00 71.12 N ATOM 0 H LYS A 16 3.392 2.892 -24.356 1.00 44.30 H new ATOM 0 HA LYS A 16 2.775 1.102 -22.352 1.00 62.31 H new ATOM 0 HB2 LYS A 16 2.977 0.600 -24.780 1.00 75.02 H new ATOM 0 HB3 LYS A 16 4.717 0.786 -24.677 1.00 75.02 H new ATOM 0 HG2 LYS A 16 4.357 -1.545 -24.601 1.00 62.23 H new ATOM 0 HG3 LYS A 16 4.694 -1.097 -22.941 1.00 62.23 H new ATOM 0 HD2 LYS A 16 2.028 -0.807 -22.851 1.00 32.42 H new ATOM 0 HD3 LYS A 16 2.093 -1.930 -24.195 1.00 32.42 H new ATOM 0 HE2 LYS A 16 3.509 -2.430 -21.549 1.00 63.35 H new ATOM 0 HE3 LYS A 16 1.875 -2.976 -21.875 1.00 63.35 H new ATOM 0 HZ1 LYS A 16 3.485 -4.711 -22.326 1.00 71.12 H new ATOM 0 HZ2 LYS A 16 2.709 -4.253 -23.765 1.00 71.12 H new ATOM 0 HZ3 LYS A 16 4.291 -3.725 -23.449 1.00 71.12 H new ATOM 254 N LEU A 17 5.817 2.203 -22.132 1.00 43.10 N ATOM 255 CA LEU A 17 7.024 2.200 -21.313 1.00 23.54 C ATOM 256 C LEU A 17 6.675 2.245 -19.828 1.00 71.45 C ATOM 257 O LEU A 17 7.484 1.875 -18.978 1.00 24.12 O ATOM 258 CB LEU A 17 7.914 3.390 -21.675 1.00 61.31 C ATOM 259 CG LEU A 17 8.878 3.864 -20.586 1.00 75.24 C ATOM 260 CD1 LEU A 17 10.141 4.441 -21.206 1.00 32.11 C ATOM 261 CD2 LEU A 17 8.204 4.891 -19.689 1.00 11.52 C ATOM 0 H LEU A 17 5.768 2.965 -22.808 1.00 43.10 H new ATOM 0 HA LEU A 17 7.566 1.275 -21.513 1.00 23.54 H new ATOM 0 HB2 LEU A 17 8.496 3.127 -22.558 1.00 61.31 H new ATOM 0 HB3 LEU A 17 7.273 4.226 -21.953 1.00 61.31 H new ATOM 0 HG LEU A 17 9.158 3.006 -19.975 1.00 75.24 H new ATOM 0 HD11 LEU A 17 10.815 4.773 -20.416 1.00 32.11 H new ATOM 0 HD12 LEU A 17 10.634 3.676 -21.806 1.00 32.11 H new ATOM 0 HD13 LEU A 17 9.881 5.288 -21.841 1.00 32.11 H new ATOM 0 HD21 LEU A 17 8.904 5.217 -18.920 1.00 11.52 H new ATOM 0 HD22 LEU A 17 7.895 5.749 -20.286 1.00 11.52 H new ATOM 0 HD23 LEU A 17 7.329 4.444 -19.217 1.00 11.52 H new ATOM 273 N VAL A 18 5.463 2.698 -19.525 1.00 0.55 N ATOM 274 CA VAL A 18 5.005 2.789 -18.143 1.00 73.34 C ATOM 275 C VAL A 18 5.109 1.440 -17.440 1.00 43.04 C ATOM 276 O VAL A 18 5.139 1.369 -16.212 1.00 21.14 O ATOM 277 CB VAL A 18 3.548 3.284 -18.067 1.00 21.34 C ATOM 278 CG1 VAL A 18 2.625 2.348 -18.833 1.00 1.43 C ATOM 279 CG2 VAL A 18 3.106 3.413 -16.617 1.00 14.30 C ATOM 0 H VAL A 18 4.781 3.008 -20.217 1.00 0.55 H new ATOM 0 HA VAL A 18 5.652 3.508 -17.641 1.00 73.34 H new ATOM 0 HB VAL A 18 3.492 4.269 -18.530 1.00 21.34 H new ATOM 0 HG11 VAL A 18 1.600 2.714 -18.768 1.00 1.43 H new ATOM 0 HG12 VAL A 18 2.931 2.310 -19.878 1.00 1.43 H new ATOM 0 HG13 VAL A 18 2.681 1.348 -18.402 1.00 1.43 H new ATOM 0 HG21 VAL A 18 2.075 3.764 -16.581 1.00 14.30 H new ATOM 0 HG22 VAL A 18 3.176 2.442 -16.127 1.00 14.30 H new ATOM 0 HG23 VAL A 18 3.750 4.126 -16.102 1.00 14.30 H new ATOM 289 N PHE A 19 5.165 0.371 -18.228 1.00 44.20 N ATOM 290 CA PHE A 19 5.266 -0.977 -17.681 1.00 44.13 C ATOM 291 C PHE A 19 6.382 -1.061 -16.644 1.00 11.24 C ATOM 292 O PHE A 19 6.314 -1.855 -15.705 1.00 14.51 O ATOM 293 CB PHE A 19 5.520 -1.987 -18.802 1.00 44.03 C ATOM 294 CG PHE A 19 6.961 -2.071 -19.219 1.00 0.23 C ATOM 295 CD1 PHE A 19 7.544 -1.051 -19.953 1.00 1.41 C ATOM 296 CD2 PHE A 19 7.732 -3.169 -18.875 1.00 64.45 C ATOM 297 CE1 PHE A 19 8.869 -1.126 -20.338 1.00 3.30 C ATOM 298 CE2 PHE A 19 9.058 -3.250 -19.257 1.00 44.24 C ATOM 299 CZ PHE A 19 9.628 -2.226 -19.989 1.00 33.02 C ATOM 0 H PHE A 19 5.142 0.412 -19.247 1.00 44.20 H new ATOM 0 HA PHE A 19 4.321 -1.216 -17.193 1.00 44.13 H new ATOM 0 HB2 PHE A 19 5.187 -2.972 -18.475 1.00 44.03 H new ATOM 0 HB3 PHE A 19 4.915 -1.717 -19.667 1.00 44.03 H new ATOM 0 HD1 PHE A 19 6.956 -0.187 -20.227 1.00 1.41 H new ATOM 0 HD2 PHE A 19 7.292 -3.971 -18.301 1.00 64.45 H new ATOM 0 HE1 PHE A 19 9.311 -0.325 -20.912 1.00 3.30 H new ATOM 0 HE2 PHE A 19 9.648 -4.113 -18.984 1.00 44.24 H new ATOM 0 HZ PHE A 19 10.664 -2.286 -20.287 1.00 33.02 H new ATOM 309 N PHE A 20 7.409 -0.236 -16.820 1.00 62.41 N ATOM 310 CA PHE A 20 8.541 -0.218 -15.901 1.00 10.53 C ATOM 311 C PHE A 20 8.067 -0.075 -14.457 1.00 51.44 C ATOM 312 O PHE A 20 8.715 -0.557 -13.529 1.00 43.32 O ATOM 313 CB PHE A 20 9.492 0.928 -16.253 1.00 2.13 C ATOM 314 CG PHE A 20 9.100 2.242 -15.640 1.00 44.32 C ATOM 315 CD1 PHE A 20 7.929 2.877 -16.021 1.00 2.31 C ATOM 316 CD2 PHE A 20 9.903 2.842 -14.683 1.00 52.43 C ATOM 317 CE1 PHE A 20 7.567 4.087 -15.459 1.00 52.04 C ATOM 318 CE2 PHE A 20 9.545 4.052 -14.118 1.00 4.01 C ATOM 319 CZ PHE A 20 8.375 4.675 -14.506 1.00 22.52 C ATOM 0 H PHE A 20 7.481 0.429 -17.590 1.00 62.41 H new ATOM 0 HA PHE A 20 9.072 -1.165 -15.999 1.00 10.53 H new ATOM 0 HB2 PHE A 20 10.498 0.669 -15.924 1.00 2.13 H new ATOM 0 HB3 PHE A 20 9.530 1.039 -17.337 1.00 2.13 H new ATOM 0 HD1 PHE A 20 7.292 2.422 -16.765 1.00 2.31 H new ATOM 0 HD2 PHE A 20 10.819 2.359 -14.375 1.00 52.43 H new ATOM 0 HE1 PHE A 20 6.652 4.572 -15.765 1.00 52.04 H new ATOM 0 HE2 PHE A 20 10.180 4.510 -13.374 1.00 4.01 H new ATOM 0 HZ PHE A 20 8.093 5.620 -14.065 1.00 22.52 H new ATOM 329 N ALA A 21 6.931 0.592 -14.277 1.00 44.02 N ATOM 330 CA ALA A 21 6.369 0.798 -12.948 1.00 70.22 C ATOM 331 C ALA A 21 5.354 -0.288 -12.607 1.00 61.24 C ATOM 332 O ALA A 21 5.102 -0.568 -11.436 1.00 75.01 O ATOM 333 CB ALA A 21 5.725 2.173 -12.855 1.00 33.01 C ATOM 0 H ALA A 21 6.382 0.999 -15.035 1.00 44.02 H new ATOM 0 HA ALA A 21 7.181 0.740 -12.224 1.00 70.22 H new ATOM 0 HB1 ALA A 21 5.309 2.313 -11.857 1.00 33.01 H new ATOM 0 HB2 ALA A 21 6.475 2.940 -13.047 1.00 33.01 H new ATOM 0 HB3 ALA A 21 4.928 2.252 -13.594 1.00 33.01 H new ATOM 339 N GLU A 22 4.775 -0.896 -13.639 1.00 4.44 N ATOM 340 CA GLU A 22 3.787 -1.950 -13.446 1.00 54.15 C ATOM 341 C GLU A 22 4.464 -3.277 -13.116 1.00 75.14 C ATOM 342 O GLU A 22 3.856 -4.164 -12.517 1.00 14.14 O ATOM 343 CB GLU A 22 2.922 -2.104 -14.700 1.00 1.43 C ATOM 344 CG GLU A 22 1.567 -2.737 -14.431 1.00 3.43 C ATOM 345 CD GLU A 22 0.939 -3.324 -15.680 1.00 3.41 C ATOM 346 OE1 GLU A 22 1.485 -3.100 -16.780 1.00 42.13 O ATOM 347 OE2 GLU A 22 -0.099 -4.007 -15.556 1.00 64.22 O ATOM 0 H GLU A 22 4.973 -0.676 -14.615 1.00 4.44 H new ATOM 0 HA GLU A 22 3.151 -1.668 -12.607 1.00 54.15 H new ATOM 0 HB2 GLU A 22 2.772 -1.123 -15.150 1.00 1.43 H new ATOM 0 HB3 GLU A 22 3.459 -2.711 -15.429 1.00 1.43 H new ATOM 0 HG2 GLU A 22 1.679 -3.521 -13.682 1.00 3.43 H new ATOM 0 HG3 GLU A 22 0.897 -1.987 -14.010 1.00 3.43 H new ATOM 354 N ASP A 23 5.725 -3.406 -13.513 1.00 12.41 N ATOM 355 CA ASP A 23 6.486 -4.624 -13.259 1.00 53.44 C ATOM 356 C ASP A 23 7.158 -4.570 -11.891 1.00 52.40 C ATOM 357 O ASP A 23 8.363 -4.790 -11.771 1.00 1.24 O ATOM 358 CB ASP A 23 7.538 -4.830 -14.350 1.00 54.44 C ATOM 359 CG ASP A 23 6.938 -5.350 -15.642 1.00 50.30 C ATOM 360 OD1 ASP A 23 5.711 -5.576 -15.677 1.00 15.20 O ATOM 361 OD2 ASP A 23 7.696 -5.531 -16.618 1.00 23.42 O ATOM 0 H ASP A 23 6.242 -2.682 -14.012 1.00 12.41 H new ATOM 0 HA ASP A 23 5.793 -5.465 -13.270 1.00 53.44 H new ATOM 0 HB2 ASP A 23 8.047 -3.885 -14.543 1.00 54.44 H new ATOM 0 HB3 ASP A 23 8.293 -5.532 -13.995 1.00 54.44 H new ATOM 366 N VAL A 24 6.370 -4.274 -10.862 1.00 24.03 N ATOM 367 CA VAL A 24 6.889 -4.191 -9.502 1.00 11.24 C ATOM 368 C VAL A 24 7.058 -5.578 -8.892 1.00 42.02 C ATOM 369 O VAL A 24 7.922 -5.793 -8.043 1.00 61.42 O ATOM 370 CB VAL A 24 5.963 -3.355 -8.598 1.00 42.31 C ATOM 371 CG1 VAL A 24 5.987 -1.892 -9.016 1.00 64.41 C ATOM 372 CG2 VAL A 24 4.545 -3.905 -8.634 1.00 43.34 C ATOM 0 H VAL A 24 5.371 -4.088 -10.944 1.00 24.03 H new ATOM 0 HA VAL A 24 7.862 -3.703 -9.564 1.00 11.24 H new ATOM 0 HB VAL A 24 6.328 -3.421 -7.573 1.00 42.31 H new ATOM 0 HG11 VAL A 24 5.327 -1.317 -8.366 1.00 64.41 H new ATOM 0 HG12 VAL A 24 7.003 -1.507 -8.934 1.00 64.41 H new ATOM 0 HG13 VAL A 24 5.648 -1.803 -10.048 1.00 64.41 H new ATOM 0 HG21 VAL A 24 3.905 -3.302 -7.990 1.00 43.34 H new ATOM 0 HG22 VAL A 24 4.167 -3.871 -9.656 1.00 43.34 H new ATOM 0 HG23 VAL A 24 4.546 -4.937 -8.282 1.00 43.34 H new ATOM 382 N GLY A 25 6.226 -6.517 -9.332 1.00 65.54 N ATOM 383 CA GLY A 25 6.300 -7.873 -8.820 1.00 25.13 C ATOM 384 C GLY A 25 7.168 -8.771 -9.679 1.00 24.23 C ATOM 385 O GLY A 25 7.455 -8.450 -10.832 1.00 74.51 O ATOM 0 H GLY A 25 5.502 -6.363 -10.034 1.00 65.54 H new ATOM 0 HA2 GLY A 25 6.696 -7.853 -7.805 1.00 25.13 H new ATOM 0 HA3 GLY A 25 5.295 -8.292 -8.762 1.00 25.13 H new ATOM 389 N SER A 26 7.590 -9.899 -9.115 1.00 50.13 N ATOM 390 CA SER A 26 8.435 -10.844 -9.836 1.00 4.34 C ATOM 391 C SER A 26 7.822 -12.241 -9.823 1.00 0.42 C ATOM 392 O SER A 26 7.524 -12.790 -8.763 1.00 51.41 O ATOM 393 CB SER A 26 9.834 -10.883 -9.217 1.00 43.15 C ATOM 394 OG SER A 26 10.794 -11.336 -10.156 1.00 42.24 O ATOM 0 H SER A 26 7.361 -10.180 -8.162 1.00 50.13 H new ATOM 0 HA SER A 26 8.511 -10.510 -10.871 1.00 4.34 H new ATOM 0 HB2 SER A 26 10.107 -9.888 -8.864 1.00 43.15 H new ATOM 0 HB3 SER A 26 9.832 -11.541 -8.348 1.00 43.15 H new ATOM 0 HG SER A 26 11.680 -11.350 -9.737 1.00 42.24 H new ATOM 400 N ASN A 27 7.637 -12.809 -11.010 1.00 33.54 N ATOM 401 CA ASN A 27 7.058 -14.142 -11.136 1.00 63.34 C ATOM 402 C ASN A 27 7.976 -15.194 -10.521 1.00 61.32 C ATOM 403 O ASN A 27 9.200 -15.090 -10.601 1.00 3.33 O ATOM 404 CB ASN A 27 6.801 -14.472 -12.608 1.00 42.53 C ATOM 405 CG ASN A 27 6.246 -13.288 -13.377 1.00 43.01 C ATOM 406 OD1 ASN A 27 5.162 -12.790 -13.075 1.00 34.45 O ATOM 407 ND2 ASN A 27 6.990 -12.832 -14.378 1.00 42.50 N ATOM 0 H ASN A 27 7.879 -12.368 -11.897 1.00 33.54 H new ATOM 0 HA ASN A 27 6.111 -14.152 -10.597 1.00 63.34 H new ATOM 0 HB2 ASN A 27 7.731 -14.799 -13.072 1.00 42.53 H new ATOM 0 HB3 ASN A 27 6.101 -15.305 -12.674 1.00 42.53 H new ATOM 0 HD21 ASN A 27 6.669 -12.038 -14.932 1.00 42.50 H new ATOM 0 HD22 ASN A 27 7.883 -13.276 -14.593 1.00 42.50 H new ATOM 414 N LYS A 28 7.376 -16.209 -9.908 1.00 3.12 N ATOM 415 CA LYS A 28 8.138 -17.282 -9.280 1.00 72.31 C ATOM 416 C LYS A 28 8.759 -18.196 -10.332 1.00 13.11 C ATOM 417 O LYS A 28 9.962 -18.452 -10.314 1.00 10.35 O ATOM 418 CB LYS A 28 7.237 -18.097 -8.349 1.00 23.21 C ATOM 419 CG LYS A 28 7.059 -17.473 -6.976 1.00 22.34 C ATOM 420 CD LYS A 28 5.754 -17.908 -6.330 1.00 61.35 C ATOM 421 CE LYS A 28 5.901 -19.247 -5.624 1.00 74.42 C ATOM 422 NZ LYS A 28 4.681 -19.601 -4.847 1.00 14.11 N ATOM 0 H LYS A 28 6.364 -16.311 -9.833 1.00 3.12 H new ATOM 0 HA LYS A 28 8.941 -16.831 -8.696 1.00 72.31 H new ATOM 0 HB2 LYS A 28 6.259 -18.215 -8.815 1.00 23.21 H new ATOM 0 HB3 LYS A 28 7.657 -19.096 -8.233 1.00 23.21 H new ATOM 0 HG2 LYS A 28 7.895 -17.756 -6.336 1.00 22.34 H new ATOM 0 HG3 LYS A 28 7.078 -16.387 -7.064 1.00 22.34 H new ATOM 0 HD2 LYS A 28 5.431 -17.152 -5.615 1.00 61.35 H new ATOM 0 HD3 LYS A 28 4.976 -17.980 -7.091 1.00 61.35 H new ATOM 0 HE2 LYS A 28 6.101 -20.026 -6.360 1.00 74.42 H new ATOM 0 HE3 LYS A 28 6.761 -19.212 -4.955 1.00 74.42 H new ATOM 0 HZ1 LYS A 28 4.821 -20.520 -4.381 1.00 14.11 H new ATOM 0 HZ2 LYS A 28 4.504 -18.871 -4.128 1.00 14.11 H new ATOM 0 HZ3 LYS A 28 3.865 -19.659 -5.489 1.00 14.11 H new ATOM 436 N GLY A 29 7.929 -18.684 -11.249 1.00 64.34 N ATOM 437 CA GLY A 29 8.416 -19.563 -12.297 1.00 2.21 C ATOM 438 C GLY A 29 7.647 -19.401 -13.593 1.00 44.22 C ATOM 439 O GLY A 29 6.466 -19.736 -13.668 1.00 32.31 O ATOM 0 H GLY A 29 6.929 -18.487 -11.285 1.00 64.34 H new ATOM 0 HA2 GLY A 29 9.472 -19.359 -12.477 1.00 2.21 H new ATOM 0 HA3 GLY A 29 8.344 -20.598 -11.962 1.00 2.21 H new ATOM 443 N ALA A 30 8.319 -18.884 -14.617 1.00 11.41 N ATOM 444 CA ALA A 30 7.691 -18.678 -15.916 1.00 44.04 C ATOM 445 C ALA A 30 8.386 -19.499 -16.997 1.00 73.44 C ATOM 446 O ALA A 30 8.417 -19.107 -18.164 1.00 3.30 O ATOM 447 CB ALA A 30 7.706 -17.201 -16.282 1.00 22.11 C ATOM 0 H ALA A 30 9.298 -18.600 -14.572 1.00 11.41 H new ATOM 0 HA ALA A 30 6.656 -19.014 -15.849 1.00 44.04 H new ATOM 0 HB1 ALA A 30 7.234 -17.062 -17.255 1.00 22.11 H new ATOM 0 HB2 ALA A 30 7.159 -16.634 -15.529 1.00 22.11 H new ATOM 0 HB3 ALA A 30 8.736 -16.847 -16.325 1.00 22.11 H new ATOM 453 N ILE A 31 8.941 -20.640 -16.602 1.00 51.01 N ATOM 454 CA ILE A 31 9.634 -21.516 -17.538 1.00 63.21 C ATOM 455 C ILE A 31 8.733 -21.892 -18.710 1.00 5.22 C ATOM 456 O ILE A 31 9.213 -22.188 -19.805 1.00 3.35 O ATOM 457 CB ILE A 31 10.123 -22.803 -16.848 1.00 22.22 C ATOM 458 CG1 ILE A 31 8.938 -23.580 -16.271 1.00 22.30 C ATOM 459 CG2 ILE A 31 11.127 -22.469 -15.755 1.00 23.33 C ATOM 460 CD1 ILE A 31 9.318 -24.932 -15.709 1.00 22.31 C ATOM 0 H ILE A 31 8.924 -20.979 -15.640 1.00 51.01 H new ATOM 0 HA ILE A 31 10.496 -20.962 -17.909 1.00 63.21 H new ATOM 0 HB ILE A 31 10.618 -23.430 -17.590 1.00 22.22 H new ATOM 0 HG12 ILE A 31 8.473 -22.986 -15.484 1.00 22.30 H new ATOM 0 HG13 ILE A 31 8.189 -23.717 -17.051 1.00 22.30 H new ATOM 0 HG21 ILE A 31 11.463 -23.389 -15.277 1.00 23.33 H new ATOM 0 HG22 ILE A 31 11.982 -21.953 -16.192 1.00 23.33 H new ATOM 0 HG23 ILE A 31 10.656 -21.825 -15.012 1.00 23.33 H new ATOM 0 HD11 ILE A 31 8.429 -25.426 -15.317 1.00 22.31 H new ATOM 0 HD12 ILE A 31 9.756 -25.544 -16.498 1.00 22.31 H new ATOM 0 HD13 ILE A 31 10.044 -24.801 -14.906 1.00 22.31 H new ATOM 472 N ILE A 32 7.426 -21.876 -18.473 1.00 22.14 N ATOM 473 CA ILE A 32 6.458 -22.212 -19.509 1.00 62.12 C ATOM 474 C ILE A 32 6.378 -21.113 -20.563 1.00 72.34 C ATOM 475 O ILE A 32 6.111 -21.380 -21.734 1.00 62.23 O ATOM 476 CB ILE A 32 5.056 -22.443 -18.916 1.00 54.32 C ATOM 477 CG1 ILE A 32 5.105 -23.531 -17.842 1.00 11.23 C ATOM 478 CG2 ILE A 32 4.072 -22.819 -20.014 1.00 52.10 C ATOM 479 CD1 ILE A 32 3.832 -23.637 -17.031 1.00 23.41 C ATOM 0 H ILE A 32 7.013 -21.634 -17.572 1.00 22.14 H new ATOM 0 HA ILE A 32 6.802 -23.135 -19.975 1.00 62.12 H new ATOM 0 HB ILE A 32 4.717 -21.517 -18.452 1.00 54.32 H new ATOM 0 HG12 ILE A 32 5.304 -24.491 -18.318 1.00 11.23 H new ATOM 0 HG13 ILE A 32 5.939 -23.329 -17.170 1.00 11.23 H new ATOM 0 HG21 ILE A 32 3.085 -22.979 -19.579 1.00 52.10 H new ATOM 0 HG22 ILE A 32 4.019 -22.014 -20.747 1.00 52.10 H new ATOM 0 HG23 ILE A 32 4.405 -23.734 -20.504 1.00 52.10 H new ATOM 0 HD11 ILE A 32 3.938 -24.428 -16.289 1.00 23.41 H new ATOM 0 HD12 ILE A 32 3.642 -22.690 -16.527 1.00 23.41 H new ATOM 0 HD13 ILE A 32 2.997 -23.870 -17.692 1.00 23.41 H new ATOM 491 N GLY A 33 6.612 -19.875 -20.139 1.00 64.11 N ATOM 492 CA GLY A 33 6.564 -18.754 -21.059 1.00 54.12 C ATOM 493 C GLY A 33 7.904 -18.480 -21.711 1.00 63.34 C ATOM 494 O GLY A 33 8.850 -18.054 -21.048 1.00 25.01 O ATOM 0 H GLY A 33 6.834 -19.628 -19.174 1.00 64.11 H new ATOM 0 HA2 GLY A 33 5.822 -18.954 -21.832 1.00 54.12 H new ATOM 0 HA3 GLY A 33 6.235 -17.863 -20.524 1.00 54.12 H new ATOM 498 N LEU A 34 7.988 -18.727 -23.014 1.00 51.10 N ATOM 499 CA LEU A 34 9.224 -18.506 -23.757 1.00 11.03 C ATOM 500 C LEU A 34 9.573 -17.022 -23.804 1.00 53.24 C ATOM 501 O LEU A 34 10.746 -16.650 -23.812 1.00 53.13 O ATOM 502 CB LEU A 34 9.094 -19.057 -25.178 1.00 15.22 C ATOM 503 CG LEU A 34 10.388 -19.541 -25.831 1.00 63.23 C ATOM 504 CD1 LEU A 34 11.004 -20.673 -25.023 1.00 13.55 C ATOM 505 CD2 LEU A 34 10.129 -19.987 -27.263 1.00 52.41 C ATOM 0 H LEU A 34 7.215 -19.080 -23.578 1.00 51.10 H new ATOM 0 HA LEU A 34 10.027 -19.033 -23.242 1.00 11.03 H new ATOM 0 HB2 LEU A 34 8.387 -19.886 -25.161 1.00 15.22 H new ATOM 0 HB3 LEU A 34 8.660 -18.281 -25.809 1.00 15.22 H new ATOM 0 HG LEU A 34 11.094 -18.710 -25.851 1.00 63.23 H new ATOM 0 HD11 LEU A 34 11.924 -21.004 -25.504 1.00 13.55 H new ATOM 0 HD12 LEU A 34 11.227 -20.322 -24.016 1.00 13.55 H new ATOM 0 HD13 LEU A 34 10.303 -21.506 -24.970 1.00 13.55 H new ATOM 0 HD21 LEU A 34 11.062 -20.328 -27.712 1.00 52.41 H new ATOM 0 HD22 LEU A 34 9.406 -20.802 -27.265 1.00 52.41 H new ATOM 0 HD23 LEU A 34 9.734 -19.150 -27.839 1.00 52.41 H new ATOM 517 N MET A 35 8.546 -16.179 -23.834 1.00 12.40 N ATOM 518 CA MET A 35 8.744 -14.735 -23.877 1.00 43.51 C ATOM 519 C MET A 35 7.780 -14.025 -22.932 1.00 52.33 C ATOM 520 O MET A 35 6.776 -14.597 -22.509 1.00 34.41 O ATOM 521 CB MET A 35 8.555 -14.215 -25.303 1.00 52.54 C ATOM 522 CG MET A 35 9.623 -14.695 -26.272 1.00 74.45 C ATOM 523 SD MET A 35 11.075 -13.628 -26.291 1.00 4.41 S ATOM 524 CE MET A 35 10.902 -12.847 -27.894 1.00 32.42 C ATOM 0 H MET A 35 7.569 -16.471 -23.829 1.00 12.40 H new ATOM 0 HA MET A 35 9.763 -14.524 -23.553 1.00 43.51 H new ATOM 0 HB2 MET A 35 7.577 -14.529 -25.669 1.00 52.54 H new ATOM 0 HB3 MET A 35 8.555 -13.125 -25.286 1.00 52.54 H new ATOM 0 HG2 MET A 35 9.924 -15.707 -26.002 1.00 74.45 H new ATOM 0 HG3 MET A 35 9.201 -14.745 -27.276 1.00 74.45 H new ATOM 0 HE1 MET A 35 11.729 -12.155 -28.053 1.00 32.42 H new ATOM 0 HE2 MET A 35 10.912 -13.609 -28.673 1.00 32.42 H new ATOM 0 HE3 MET A 35 9.960 -12.301 -27.933 1.00 32.42 H new ATOM 534 N VAL A 36 8.091 -12.775 -22.605 1.00 43.40 N ATOM 535 CA VAL A 36 7.252 -11.987 -21.711 1.00 13.52 C ATOM 536 C VAL A 36 6.650 -10.788 -22.436 1.00 5.33 C ATOM 537 O VAL A 36 7.307 -10.155 -23.261 1.00 43.40 O ATOM 538 CB VAL A 36 8.046 -11.488 -20.489 1.00 21.21 C ATOM 539 CG1 VAL A 36 7.118 -10.826 -19.482 1.00 32.41 C ATOM 540 CG2 VAL A 36 8.811 -12.636 -19.847 1.00 42.32 C ATOM 0 H VAL A 36 8.919 -12.286 -22.946 1.00 43.40 H new ATOM 0 HA VAL A 36 6.450 -12.643 -21.371 1.00 13.52 H new ATOM 0 HB VAL A 36 8.767 -10.743 -20.826 1.00 21.21 H new ATOM 0 HG11 VAL A 36 7.697 -10.480 -18.626 1.00 32.41 H new ATOM 0 HG12 VAL A 36 6.620 -9.977 -19.950 1.00 32.41 H new ATOM 0 HG13 VAL A 36 6.371 -11.546 -19.148 1.00 32.41 H new ATOM 0 HG21 VAL A 36 9.367 -12.266 -18.985 1.00 42.32 H new ATOM 0 HG22 VAL A 36 8.109 -13.405 -19.524 1.00 42.32 H new ATOM 0 HG23 VAL A 36 9.506 -13.060 -20.572 1.00 42.32 H new ATOM 550 N GLY A 37 5.396 -10.481 -22.121 1.00 14.31 N ATOM 551 CA GLY A 37 4.726 -9.358 -22.751 1.00 1.10 C ATOM 552 C GLY A 37 5.434 -8.042 -22.493 1.00 75.25 C ATOM 553 O GLY A 37 5.244 -7.073 -23.228 1.00 21.44 O ATOM 0 H GLY A 37 4.832 -10.990 -21.441 1.00 14.31 H new ATOM 0 HA2 GLY A 37 4.666 -9.531 -23.826 1.00 1.10 H new ATOM 0 HA3 GLY A 37 3.703 -9.295 -22.381 1.00 1.10 H new ATOM 557 N GLY A 38 6.251 -8.007 -21.445 1.00 41.34 N ATOM 558 CA GLY A 38 6.975 -6.795 -21.110 1.00 43.54 C ATOM 559 C GLY A 38 7.783 -6.261 -22.277 1.00 2.24 C ATOM 560 O GLY A 38 7.900 -5.049 -22.457 1.00 50.44 O ATOM 0 H GLY A 38 6.424 -8.796 -20.822 1.00 41.34 H new ATOM 0 HA2 GLY A 38 6.269 -6.032 -20.782 1.00 43.54 H new ATOM 0 HA3 GLY A 38 7.642 -6.994 -20.271 1.00 43.54 H new ATOM 564 N VAL A 39 8.345 -7.168 -23.070 1.00 54.40 N ATOM 565 CA VAL A 39 9.147 -6.781 -24.225 1.00 34.42 C ATOM 566 C VAL A 39 8.384 -7.010 -25.525 1.00 31.21 C ATOM 567 O VAL A 39 8.645 -6.355 -26.534 1.00 31.10 O ATOM 568 CB VAL A 39 10.472 -7.565 -24.275 1.00 53.11 C ATOM 569 CG1 VAL A 39 11.304 -7.287 -23.032 1.00 72.44 C ATOM 570 CG2 VAL A 39 10.204 -9.055 -24.426 1.00 11.23 C ATOM 0 H VAL A 39 8.260 -8.175 -22.934 1.00 54.40 H new ATOM 0 HA VAL A 39 9.366 -5.719 -24.118 1.00 34.42 H new ATOM 0 HB VAL A 39 11.039 -7.232 -25.144 1.00 53.11 H new ATOM 0 HG11 VAL A 39 12.236 -7.849 -23.085 1.00 72.44 H new ATOM 0 HG12 VAL A 39 11.526 -6.221 -22.973 1.00 72.44 H new ATOM 0 HG13 VAL A 39 10.747 -7.591 -22.146 1.00 72.44 H new ATOM 0 HG21 VAL A 39 11.151 -9.593 -24.460 1.00 11.23 H new ATOM 0 HG22 VAL A 39 9.616 -9.407 -23.578 1.00 11.23 H new ATOM 0 HG23 VAL A 39 9.652 -9.234 -25.349 1.00 11.23 H new ATOM 580 N VAL A 40 7.439 -7.945 -25.494 1.00 12.54 N ATOM 581 CA VAL A 40 6.636 -8.259 -26.669 1.00 71.42 C ATOM 582 C VAL A 40 5.217 -7.720 -26.526 1.00 62.13 C ATOM 583 O VAL A 40 4.503 -8.065 -25.585 1.00 0.52 O ATOM 584 CB VAL A 40 6.574 -9.778 -26.916 1.00 35.52 C ATOM 585 CG1 VAL A 40 5.743 -10.085 -28.153 1.00 25.10 C ATOM 586 CG2 VAL A 40 7.975 -10.354 -27.048 1.00 23.40 C ATOM 0 H VAL A 40 7.211 -8.498 -24.668 1.00 12.54 H new ATOM 0 HA VAL A 40 7.119 -7.779 -27.520 1.00 71.42 H new ATOM 0 HB VAL A 40 6.092 -10.248 -26.059 1.00 35.52 H new ATOM 0 HG11 VAL A 40 5.711 -11.163 -28.311 1.00 25.10 H new ATOM 0 HG12 VAL A 40 4.730 -9.708 -28.013 1.00 25.10 H new ATOM 0 HG13 VAL A 40 6.192 -9.604 -29.022 1.00 25.10 H new ATOM 0 HG21 VAL A 40 7.912 -11.428 -27.222 1.00 23.40 H new ATOM 0 HG22 VAL A 40 8.486 -9.880 -27.886 1.00 23.40 H new ATOM 0 HG23 VAL A 40 8.533 -10.167 -26.130 1.00 23.40 H new TER 596 VAL A 40