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= -0.228 X(o=-0.23,f=0) 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= -0.139 X(o=-0.14,f=0.0059) USER MOD Single : A 14 HIS : no HD1:sc= -0.579 X(o=-0.58,f=-0.17) USER MOD Single : A 15 GLN : amide:sc= 0.401 K(o=0.4,f=-2) 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= -0.126 X(o=-0.13,f=-0.29) USER MOD Single : A 28 LYS NZ :NH3+ -112:sc= -0.227 (180deg=-1.68!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 4.856 -0.582 0.346 1.00 54.44 N ATOM 2 CA ASP A 1 4.398 -1.234 -0.876 1.00 1.41 C ATOM 3 C ASP A 1 3.012 -0.734 -1.272 1.00 61.20 C ATOM 4 O ASP A 1 2.013 -1.083 -0.644 1.00 70.10 O ATOM 5 CB ASP A 1 4.373 -2.752 -0.691 1.00 1.44 C ATOM 6 CG ASP A 1 4.423 -3.497 -2.010 1.00 4.31 C ATOM 7 OD1 ASP A 1 5.537 -3.684 -2.543 1.00 31.21 O ATOM 8 OD2 ASP A 1 3.349 -3.892 -2.510 1.00 42.20 O ATOM 0 H1 ASP A 1 5.801 -0.938 0.596 1.00 54.44 H new ATOM 0 H2 ASP A 1 4.902 0.446 0.195 1.00 54.44 H new ATOM 0 H3 ASP A 1 4.192 -0.789 1.120 1.00 54.44 H new ATOM 0 HA ASP A 1 5.096 -0.985 -1.675 1.00 1.41 H new ATOM 0 HB2 ASP A 1 5.220 -3.054 -0.074 1.00 1.44 H new ATOM 0 HB3 ASP A 1 3.469 -3.034 -0.152 1.00 1.44 H new ATOM 13 N ALA A 2 2.960 0.085 -2.317 1.00 43.31 N ATOM 14 CA ALA A 2 1.697 0.632 -2.797 1.00 63.23 C ATOM 15 C ALA A 2 1.373 0.118 -4.196 1.00 43.11 C ATOM 16 O ALA A 2 2.137 -0.653 -4.776 1.00 2.12 O ATOM 17 CB ALA A 2 1.743 2.153 -2.789 1.00 62.31 C ATOM 0 H ALA A 2 3.778 0.384 -2.848 1.00 43.31 H new ATOM 0 HA ALA A 2 0.907 0.300 -2.124 1.00 63.23 H new ATOM 0 HB1 ALA A 2 0.793 2.548 -3.150 1.00 62.31 H new ATOM 0 HB2 ALA A 2 1.920 2.506 -1.773 1.00 62.31 H new ATOM 0 HB3 ALA A 2 2.549 2.496 -3.438 1.00 62.31 H new ATOM 23 N GLU A 3 0.236 0.550 -4.731 1.00 53.15 N ATOM 24 CA GLU A 3 -0.189 0.131 -6.062 1.00 41.41 C ATOM 25 C GLU A 3 -0.360 1.336 -6.983 1.00 5.30 C ATOM 26 O GLU A 3 -0.330 2.483 -6.535 1.00 72.15 O ATOM 27 CB GLU A 3 -1.501 -0.652 -5.980 1.00 41.42 C ATOM 28 CG GLU A 3 -1.340 -2.052 -5.413 1.00 43.10 C ATOM 29 CD GLU A 3 -0.432 -2.923 -6.259 1.00 61.23 C ATOM 30 OE1 GLU A 3 -0.415 -2.738 -7.494 1.00 54.23 O ATOM 31 OE2 GLU A 3 0.261 -3.790 -5.687 1.00 45.13 O ATOM 0 H GLU A 3 -0.407 1.189 -4.264 1.00 53.15 H new ATOM 0 HA GLU A 3 0.586 -0.514 -6.476 1.00 41.41 H new ATOM 0 HB2 GLU A 3 -2.207 -0.098 -5.362 1.00 41.42 H new ATOM 0 HB3 GLU A 3 -1.936 -0.721 -6.977 1.00 41.42 H new ATOM 0 HG2 GLU A 3 -0.936 -1.987 -4.403 1.00 43.10 H new ATOM 0 HG3 GLU A 3 -2.320 -2.523 -5.335 1.00 43.10 H new ATOM 38 N PHE A 4 -0.537 1.068 -8.272 1.00 73.43 N ATOM 39 CA PHE A 4 -0.711 2.129 -9.257 1.00 70.34 C ATOM 40 C PHE A 4 -2.011 1.942 -10.035 1.00 22.35 C ATOM 41 O PHE A 4 -2.607 0.865 -10.018 1.00 64.55 O ATOM 42 CB PHE A 4 0.475 2.156 -10.224 1.00 31.51 C ATOM 43 CG PHE A 4 0.477 1.016 -11.202 1.00 21.52 C ATOM 44 CD1 PHE A 4 0.720 -0.280 -10.775 1.00 60.13 C ATOM 45 CD2 PHE A 4 0.237 1.240 -12.548 1.00 31.21 C ATOM 46 CE1 PHE A 4 0.722 -1.332 -11.673 1.00 4.55 C ATOM 47 CE2 PHE A 4 0.238 0.192 -13.450 1.00 14.44 C ATOM 48 CZ PHE A 4 0.482 -1.095 -13.012 1.00 11.43 C ATOM 0 H PHE A 4 -0.564 0.125 -8.659 1.00 73.43 H new ATOM 0 HA PHE A 4 -0.760 3.079 -8.725 1.00 70.34 H new ATOM 0 HB2 PHE A 4 0.463 3.097 -10.775 1.00 31.51 H new ATOM 0 HB3 PHE A 4 1.402 2.134 -9.651 1.00 31.51 H new ATOM 0 HD1 PHE A 4 0.910 -0.471 -9.729 1.00 60.13 H new ATOM 0 HD2 PHE A 4 0.047 2.244 -12.897 1.00 31.21 H new ATOM 0 HE1 PHE A 4 0.911 -2.338 -11.327 1.00 4.55 H new ATOM 0 HE2 PHE A 4 0.048 0.380 -14.496 1.00 14.44 H new ATOM 0 HZ PHE A 4 0.485 -1.914 -13.715 1.00 11.43 H new ATOM 58 N ARG A 5 -2.445 2.999 -10.713 1.00 65.34 N ATOM 59 CA ARG A 5 -3.674 2.953 -11.495 1.00 72.43 C ATOM 60 C ARG A 5 -3.442 2.256 -12.833 1.00 32.32 C ATOM 61 O ARG A 5 -2.364 2.358 -13.420 1.00 14.34 O ATOM 62 CB ARG A 5 -4.207 4.367 -11.731 1.00 13.02 C ATOM 63 CG ARG A 5 -3.248 5.259 -12.502 1.00 32.10 C ATOM 64 CD ARG A 5 -3.490 5.173 -14.001 1.00 35.12 C ATOM 65 NE ARG A 5 -3.145 6.417 -14.683 1.00 72.03 N ATOM 66 CZ ARG A 5 -1.900 6.860 -14.818 1.00 53.22 C ATOM 67 NH1 ARG A 5 -0.888 6.164 -14.320 1.00 44.05 N ATOM 68 NH2 ARG A 5 -1.666 8.002 -15.453 1.00 33.13 N ATOM 0 H ARG A 5 -1.964 3.898 -10.736 1.00 65.34 H new ATOM 0 HA ARG A 5 -4.412 2.383 -10.931 1.00 72.43 H new ATOM 0 HB2 ARG A 5 -5.149 4.305 -12.276 1.00 13.02 H new ATOM 0 HB3 ARG A 5 -4.425 4.829 -10.768 1.00 13.02 H new ATOM 0 HG2 ARG A 5 -3.365 6.291 -12.172 1.00 32.10 H new ATOM 0 HG3 ARG A 5 -2.221 4.968 -12.281 1.00 32.10 H new ATOM 0 HD2 ARG A 5 -2.901 4.356 -14.417 1.00 35.12 H new ATOM 0 HD3 ARG A 5 -4.538 4.937 -14.186 1.00 35.12 H new ATOM 0 HE ARG A 5 -3.901 6.976 -15.077 1.00 72.03 H new ATOM 0 HH11 ARG A 5 -1.064 5.286 -13.832 1.00 44.05 H new ATOM 0 HH12 ARG A 5 0.067 6.506 -14.425 1.00 44.05 H new ATOM 0 HH21 ARG A 5 -2.443 8.540 -15.838 1.00 33.13 H new ATOM 0 HH22 ARG A 5 -0.710 8.341 -15.556 1.00 33.13 H new ATOM 82 N HIS A 6 -4.460 1.546 -13.309 1.00 54.20 N ATOM 83 CA HIS A 6 -4.368 0.832 -14.577 1.00 44.15 C ATOM 84 C HIS A 6 -5.540 1.186 -15.487 1.00 41.24 C ATOM 85 O HIS A 6 -6.665 0.735 -15.271 1.00 2.34 O ATOM 86 CB HIS A 6 -4.332 -0.677 -14.336 1.00 32.32 C ATOM 87 CG HIS A 6 -4.298 -1.485 -15.596 1.00 70.15 C ATOM 88 ND1 HIS A 6 -3.133 -1.985 -16.138 1.00 61.35 N ATOM 89 CD2 HIS A 6 -5.295 -1.881 -16.422 1.00 12.41 C ATOM 90 CE1 HIS A 6 -3.415 -2.652 -17.244 1.00 3.14 C ATOM 91 NE2 HIS A 6 -4.720 -2.604 -17.438 1.00 13.03 N ATOM 0 H HIS A 6 -5.358 1.450 -12.835 1.00 54.20 H new ATOM 0 HA HIS A 6 -3.444 1.136 -15.070 1.00 44.15 H new ATOM 0 HB2 HIS A 6 -3.456 -0.920 -13.735 1.00 32.32 H new ATOM 0 HB3 HIS A 6 -5.207 -0.964 -13.754 1.00 32.32 H new ATOM 0 HD2 HIS A 6 -6.347 -1.668 -16.304 1.00 12.41 H new ATOM 0 HE1 HIS A 6 -2.700 -3.151 -17.881 1.00 3.14 H new ATOM 0 HE2 HIS A 6 -5.220 -3.034 -18.216 1.00 13.03 H new ATOM 99 N ASP A 7 -5.269 1.996 -16.505 1.00 10.11 N ATOM 100 CA ASP A 7 -6.301 2.411 -17.448 1.00 72.40 C ATOM 101 C ASP A 7 -5.681 3.048 -18.687 1.00 43.12 C ATOM 102 O ASP A 7 -4.507 3.418 -18.685 1.00 65.34 O ATOM 103 CB ASP A 7 -7.265 3.393 -16.782 1.00 55.51 C ATOM 104 CG ASP A 7 -6.546 4.554 -16.123 1.00 60.12 C ATOM 105 OD1 ASP A 7 -5.438 4.902 -16.582 1.00 53.22 O ATOM 106 OD2 ASP A 7 -7.090 5.113 -15.148 1.00 52.20 O ATOM 0 H ASP A 7 -4.343 2.378 -16.698 1.00 10.11 H new ATOM 0 HA ASP A 7 -6.854 1.524 -17.757 1.00 72.40 H new ATOM 0 HB2 ASP A 7 -7.961 3.777 -17.528 1.00 55.51 H new ATOM 0 HB3 ASP A 7 -7.858 2.865 -16.035 1.00 55.51 H new ATOM 111 N SER A 8 -6.477 3.173 -19.744 1.00 70.32 N ATOM 112 CA SER A 8 -6.005 3.761 -20.992 1.00 44.00 C ATOM 113 C SER A 8 -6.374 5.239 -21.070 1.00 0.22 C ATOM 114 O SER A 8 -7.530 5.590 -21.303 1.00 43.52 O ATOM 115 CB SER A 8 -6.595 3.013 -22.189 1.00 24.42 C ATOM 116 OG SER A 8 -5.957 3.396 -23.395 1.00 22.22 O ATOM 0 H SER A 8 -7.452 2.875 -19.761 1.00 70.32 H new ATOM 0 HA SER A 8 -4.919 3.673 -21.018 1.00 44.00 H new ATOM 0 HB2 SER A 8 -6.485 1.939 -22.041 1.00 24.42 H new ATOM 0 HB3 SER A 8 -7.663 3.217 -22.259 1.00 24.42 H new ATOM 0 HG SER A 8 -6.351 2.903 -24.144 1.00 22.22 H new ATOM 122 N GLY A 9 -5.382 6.102 -20.872 1.00 42.11 N ATOM 123 CA GLY A 9 -5.621 7.532 -20.923 1.00 53.54 C ATOM 124 C GLY A 9 -5.734 8.051 -22.343 1.00 62.13 C ATOM 125 O GLY A 9 -6.801 8.495 -22.767 1.00 34.41 O ATOM 0 H GLY A 9 -4.417 5.836 -20.677 1.00 42.11 H new ATOM 0 HA2 GLY A 9 -6.538 7.764 -20.381 1.00 53.54 H new ATOM 0 HA3 GLY A 9 -4.809 8.051 -20.413 1.00 53.54 H new ATOM 129 N TYR A 10 -4.630 7.997 -23.080 1.00 60.12 N ATOM 130 CA TYR A 10 -4.608 8.469 -24.460 1.00 30.33 C ATOM 131 C TYR A 10 -4.136 7.368 -25.405 1.00 22.15 C ATOM 132 O TYR A 10 -3.688 6.309 -24.966 1.00 4.21 O ATOM 133 CB TYR A 10 -3.698 9.692 -24.588 1.00 71.51 C ATOM 134 CG TYR A 10 -4.095 10.627 -25.708 1.00 61.40 C ATOM 135 CD1 TYR A 10 -5.300 11.317 -25.669 1.00 42.22 C ATOM 136 CD2 TYR A 10 -3.264 10.820 -26.805 1.00 11.21 C ATOM 137 CE1 TYR A 10 -5.667 12.172 -26.691 1.00 24.14 C ATOM 138 CE2 TYR A 10 -3.622 11.674 -27.830 1.00 40.12 C ATOM 139 CZ TYR A 10 -4.824 12.347 -27.769 1.00 14.23 C ATOM 140 OH TYR A 10 -5.185 13.199 -28.788 1.00 34.25 O ATOM 0 H TYR A 10 -3.739 7.631 -22.745 1.00 60.12 H new ATOM 0 HA TYR A 10 -5.624 8.750 -24.738 1.00 30.33 H new ATOM 0 HB2 TYR A 10 -3.707 10.241 -23.647 1.00 71.51 H new ATOM 0 HB3 TYR A 10 -2.674 9.357 -24.751 1.00 71.51 H new ATOM 0 HD1 TYR A 10 -5.961 11.183 -24.826 1.00 42.22 H new ATOM 0 HD2 TYR A 10 -2.322 10.293 -26.857 1.00 11.21 H new ATOM 0 HE1 TYR A 10 -6.608 12.700 -26.646 1.00 24.14 H new ATOM 0 HE2 TYR A 10 -2.964 11.814 -28.675 1.00 40.12 H new ATOM 0 HH TYR A 10 -4.481 13.210 -29.470 1.00 34.25 H new ATOM 150 N GLU A 11 -4.240 7.628 -26.704 1.00 61.41 N ATOM 151 CA GLU A 11 -3.824 6.659 -27.712 1.00 3.13 C ATOM 152 C GLU A 11 -2.308 6.675 -27.889 1.00 11.33 C ATOM 153 O GLU A 11 -1.738 5.798 -28.538 1.00 32.14 O ATOM 154 CB GLU A 11 -4.508 6.954 -29.048 1.00 45.52 C ATOM 155 CG GLU A 11 -4.315 8.383 -29.528 1.00 11.43 C ATOM 156 CD GLU A 11 -3.632 8.458 -30.879 1.00 41.23 C ATOM 157 OE1 GLU A 11 -4.155 7.859 -31.842 1.00 33.31 O ATOM 158 OE2 GLU A 11 -2.575 9.115 -30.975 1.00 5.42 O ATOM 0 H GLU A 11 -4.608 8.500 -27.083 1.00 61.41 H new ATOM 0 HA GLU A 11 -4.122 5.668 -27.371 1.00 3.13 H new ATOM 0 HB2 GLU A 11 -4.121 6.270 -29.804 1.00 45.52 H new ATOM 0 HB3 GLU A 11 -5.575 6.753 -28.953 1.00 45.52 H new ATOM 0 HG2 GLU A 11 -5.285 8.876 -29.588 1.00 11.43 H new ATOM 0 HG3 GLU A 11 -3.723 8.932 -28.795 1.00 11.43 H new ATOM 165 N VAL A 12 -1.661 7.680 -27.307 1.00 40.32 N ATOM 166 CA VAL A 12 -0.212 7.812 -27.400 1.00 21.25 C ATOM 167 C VAL A 12 0.484 6.515 -27.001 1.00 1.33 C ATOM 168 O VAL A 12 0.422 6.095 -25.845 1.00 24.01 O ATOM 169 CB VAL A 12 0.306 8.955 -26.507 1.00 10.22 C ATOM 170 CG1 VAL A 12 -0.181 8.779 -25.077 1.00 20.33 C ATOM 171 CG2 VAL A 12 1.825 9.024 -26.557 1.00 72.40 C ATOM 0 H VAL A 12 -2.118 8.414 -26.766 1.00 40.32 H new ATOM 0 HA VAL A 12 0.019 8.041 -28.440 1.00 21.25 H new ATOM 0 HB VAL A 12 -0.090 9.897 -26.887 1.00 10.22 H new ATOM 0 HG11 VAL A 12 0.195 9.596 -24.461 1.00 20.33 H new ATOM 0 HG12 VAL A 12 -1.271 8.784 -25.061 1.00 20.33 H new ATOM 0 HG13 VAL A 12 0.183 7.830 -24.683 1.00 20.33 H new ATOM 0 HG21 VAL A 12 2.173 9.837 -25.920 1.00 72.40 H new ATOM 0 HG22 VAL A 12 2.244 8.082 -26.204 1.00 72.40 H new ATOM 0 HG23 VAL A 12 2.148 9.203 -27.583 1.00 72.40 H new ATOM 181 N HIS A 13 1.147 5.885 -27.965 1.00 42.12 N ATOM 182 CA HIS A 13 1.857 4.636 -27.715 1.00 31.35 C ATOM 183 C HIS A 13 3.131 4.886 -26.914 1.00 65.02 C ATOM 184 O HIS A 13 3.651 3.984 -26.256 1.00 73.10 O ATOM 185 CB HIS A 13 2.197 3.944 -29.035 1.00 43.30 C ATOM 186 CG HIS A 13 1.087 3.093 -29.569 1.00 53.33 C ATOM 187 ND1 HIS A 13 1.280 2.114 -30.521 1.00 31.14 N ATOM 188 CD2 HIS A 13 -0.235 3.078 -29.279 1.00 32.02 C ATOM 189 CE1 HIS A 13 0.125 1.534 -30.793 1.00 54.24 C ATOM 190 NE2 HIS A 13 -0.811 2.101 -30.053 1.00 21.43 N ATOM 0 H HIS A 13 1.207 6.219 -28.927 1.00 42.12 H new ATOM 0 HA HIS A 13 1.204 3.987 -27.132 1.00 31.35 H new ATOM 0 HB2 HIS A 13 2.453 4.701 -29.777 1.00 43.30 H new ATOM 0 HB3 HIS A 13 3.083 3.325 -28.893 1.00 43.30 H new ATOM 0 HD2 HIS A 13 -0.742 3.716 -28.571 1.00 32.02 H new ATOM 0 HE1 HIS A 13 -0.028 0.732 -31.500 1.00 54.24 H new ATOM 0 HE2 HIS A 13 -1.800 1.853 -30.056 1.00 21.43 H new ATOM 198 N HIS A 14 3.631 6.116 -26.976 1.00 4.11 N ATOM 199 CA HIS A 14 4.846 6.485 -26.257 1.00 33.21 C ATOM 200 C HIS A 14 4.685 6.242 -24.759 1.00 41.42 C ATOM 201 O HIS A 14 5.670 6.085 -24.038 1.00 71.11 O ATOM 202 CB HIS A 14 5.190 7.952 -26.514 1.00 2.22 C ATOM 203 CG HIS A 14 5.178 8.325 -27.964 1.00 44.13 C ATOM 204 ND1 HIS A 14 5.823 7.589 -28.936 1.00 5.31 N ATOM 205 CD2 HIS A 14 4.593 9.363 -28.607 1.00 20.31 C ATOM 206 CE1 HIS A 14 5.637 8.159 -30.113 1.00 50.10 C ATOM 207 NE2 HIS A 14 4.893 9.237 -29.941 1.00 61.11 N ATOM 0 H HIS A 14 3.214 6.874 -27.516 1.00 4.11 H new ATOM 0 HA HIS A 14 5.660 5.860 -26.623 1.00 33.21 H new ATOM 0 HB2 HIS A 14 4.479 8.582 -25.979 1.00 2.22 H new ATOM 0 HB3 HIS A 14 6.177 8.163 -26.101 1.00 2.22 H new ATOM 0 HD2 HIS A 14 4.001 10.145 -28.155 1.00 20.31 H new ATOM 0 HE1 HIS A 14 6.027 7.804 -31.056 1.00 50.10 H new ATOM 0 HE2 HIS A 14 4.591 9.873 -30.679 1.00 61.11 H new ATOM 215 N GLN A 15 3.438 6.215 -24.299 1.00 64.24 N ATOM 216 CA GLN A 15 3.150 5.993 -22.887 1.00 42.14 C ATOM 217 C GLN A 15 3.337 4.525 -22.518 1.00 14.34 C ATOM 218 O GLN A 15 3.254 4.153 -21.347 1.00 11.42 O ATOM 219 CB GLN A 15 1.723 6.436 -22.561 1.00 0.33 C ATOM 220 CG GLN A 15 0.679 5.359 -22.810 1.00 45.52 C ATOM 221 CD GLN A 15 -0.715 5.928 -22.988 1.00 64.12 C ATOM 222 OE1 GLN A 15 -0.978 7.079 -22.638 1.00 64.23 O ATOM 223 NE2 GLN A 15 -1.617 5.122 -23.535 1.00 14.01 N ATOM 0 H GLN A 15 2.612 6.344 -24.883 1.00 64.24 H new ATOM 0 HA GLN A 15 3.850 6.588 -22.301 1.00 42.14 H new ATOM 0 HB2 GLN A 15 1.676 6.741 -21.516 1.00 0.33 H new ATOM 0 HB3 GLN A 15 1.478 7.313 -23.160 1.00 0.33 H new ATOM 0 HG2 GLN A 15 0.952 4.792 -23.700 1.00 45.52 H new ATOM 0 HG3 GLN A 15 0.678 4.659 -21.974 1.00 45.52 H new ATOM 0 HE21 GLN A 15 -1.355 4.175 -23.810 1.00 14.01 H new ATOM 0 HE22 GLN A 15 -2.572 5.449 -23.680 1.00 14.01 H new ATOM 232 N LYS A 16 3.588 3.694 -23.523 1.00 44.34 N ATOM 233 CA LYS A 16 3.788 2.267 -23.305 1.00 73.53 C ATOM 234 C LYS A 16 4.838 2.022 -22.226 1.00 53.31 C ATOM 235 O LYS A 16 4.840 0.978 -21.573 1.00 11.24 O ATOM 236 CB LYS A 16 4.212 1.585 -24.608 1.00 61.01 C ATOM 237 CG LYS A 16 4.249 0.069 -24.518 1.00 4.35 C ATOM 238 CD LYS A 16 5.608 -0.428 -24.055 1.00 25.41 C ATOM 239 CE LYS A 16 5.474 -1.559 -23.047 1.00 23.42 C ATOM 240 NZ LYS A 16 5.400 -2.890 -23.712 1.00 53.41 N ATOM 0 H LYS A 16 3.658 3.985 -24.498 1.00 44.34 H new ATOM 0 HA LYS A 16 2.842 1.841 -22.970 1.00 73.53 H new ATOM 0 HB2 LYS A 16 3.524 1.877 -25.401 1.00 61.01 H new ATOM 0 HB3 LYS A 16 5.199 1.948 -24.893 1.00 61.01 H new ATOM 0 HG2 LYS A 16 3.480 -0.274 -23.826 1.00 4.35 H new ATOM 0 HG3 LYS A 16 4.016 -0.360 -25.492 1.00 4.35 H new ATOM 0 HD2 LYS A 16 6.183 -0.772 -24.915 1.00 25.41 H new ATOM 0 HD3 LYS A 16 6.165 0.395 -23.608 1.00 25.41 H new ATOM 0 HE2 LYS A 16 6.324 -1.540 -22.365 1.00 23.42 H new ATOM 0 HE3 LYS A 16 4.579 -1.404 -22.444 1.00 23.42 H new ATOM 0 HZ1 LYS A 16 5.309 -3.634 -22.991 1.00 53.41 H new ATOM 0 HZ2 LYS A 16 4.574 -2.917 -24.343 1.00 53.41 H new ATOM 0 HZ3 LYS A 16 6.265 -3.049 -24.267 1.00 53.41 H new ATOM 254 N LEU A 17 5.728 2.991 -22.043 1.00 14.50 N ATOM 255 CA LEU A 17 6.782 2.882 -21.041 1.00 44.41 C ATOM 256 C LEU A 17 6.194 2.646 -19.654 1.00 75.41 C ATOM 257 O LEU A 17 6.876 2.157 -18.753 1.00 41.34 O ATOM 258 CB LEU A 17 7.639 4.149 -21.034 1.00 44.43 C ATOM 259 CG LEU A 17 8.377 4.453 -19.730 1.00 45.51 C ATOM 260 CD1 LEU A 17 9.684 5.178 -20.013 1.00 2.23 C ATOM 261 CD2 LEU A 17 7.499 5.277 -18.800 1.00 0.22 C ATOM 0 H LEU A 17 5.741 3.861 -22.575 1.00 14.50 H new ATOM 0 HA LEU A 17 7.408 2.028 -21.300 1.00 44.41 H new ATOM 0 HB2 LEU A 17 8.375 4.070 -21.835 1.00 44.43 H new ATOM 0 HB3 LEU A 17 6.998 4.998 -21.272 1.00 44.43 H new ATOM 0 HG LEU A 17 8.608 3.509 -19.237 1.00 45.51 H new ATOM 0 HD11 LEU A 17 10.195 5.386 -19.073 1.00 2.23 H new ATOM 0 HD12 LEU A 17 10.319 4.552 -20.641 1.00 2.23 H new ATOM 0 HD13 LEU A 17 9.476 6.116 -20.528 1.00 2.23 H new ATOM 0 HD21 LEU A 17 8.040 5.484 -17.877 1.00 0.22 H new ATOM 0 HD22 LEU A 17 7.237 6.217 -19.285 1.00 0.22 H new ATOM 0 HD23 LEU A 17 6.590 4.721 -18.571 1.00 0.22 H new ATOM 273 N VAL A 18 4.921 2.993 -19.490 1.00 0.13 N ATOM 274 CA VAL A 18 4.239 2.815 -18.214 1.00 13.44 C ATOM 275 C VAL A 18 4.317 1.367 -17.746 1.00 31.53 C ATOM 276 O VAL A 18 4.151 1.076 -16.561 1.00 23.32 O ATOM 277 CB VAL A 18 2.759 3.235 -18.305 1.00 24.31 C ATOM 278 CG1 VAL A 18 2.038 2.421 -19.368 1.00 61.41 C ATOM 279 CG2 VAL A 18 2.079 3.083 -16.953 1.00 12.52 C ATOM 0 H VAL A 18 4.342 3.399 -20.225 1.00 0.13 H new ATOM 0 HA VAL A 18 4.747 3.455 -17.492 1.00 13.44 H new ATOM 0 HB VAL A 18 2.714 4.285 -18.593 1.00 24.31 H new ATOM 0 HG11 VAL A 18 0.994 2.731 -19.418 1.00 61.41 H new ATOM 0 HG12 VAL A 18 2.512 2.585 -20.336 1.00 61.41 H new ATOM 0 HG13 VAL A 18 2.090 1.362 -19.113 1.00 61.41 H new ATOM 0 HG21 VAL A 18 1.035 3.384 -17.035 1.00 12.52 H new ATOM 0 HG22 VAL A 18 2.133 2.042 -16.634 1.00 12.52 H new ATOM 0 HG23 VAL A 18 2.582 3.714 -16.220 1.00 12.52 H new ATOM 289 N PHE A 19 4.571 0.460 -18.684 1.00 12.40 N ATOM 290 CA PHE A 19 4.671 -0.960 -18.368 1.00 52.22 C ATOM 291 C PHE A 19 5.605 -1.189 -17.184 1.00 31.13 C ATOM 292 O PHE A 19 5.436 -2.140 -16.421 1.00 22.54 O ATOM 293 CB PHE A 19 5.171 -1.741 -19.585 1.00 40.53 C ATOM 294 CG PHE A 19 6.663 -1.696 -19.755 1.00 13.53 C ATOM 295 CD1 PHE A 19 7.289 -0.540 -20.192 1.00 1.41 C ATOM 296 CD2 PHE A 19 7.439 -2.809 -19.477 1.00 74.51 C ATOM 297 CE1 PHE A 19 8.662 -0.495 -20.349 1.00 13.35 C ATOM 298 CE2 PHE A 19 8.811 -2.770 -19.631 1.00 65.44 C ATOM 299 CZ PHE A 19 9.424 -1.612 -20.069 1.00 34.02 C ATOM 0 H PHE A 19 4.711 0.683 -19.669 1.00 12.40 H new ATOM 0 HA PHE A 19 3.677 -1.318 -18.099 1.00 52.22 H new ATOM 0 HB2 PHE A 19 4.855 -2.780 -19.495 1.00 40.53 H new ATOM 0 HB3 PHE A 19 4.699 -1.341 -20.482 1.00 40.53 H new ATOM 0 HD1 PHE A 19 6.698 0.336 -20.413 1.00 1.41 H new ATOM 0 HD2 PHE A 19 6.966 -3.718 -19.136 1.00 74.51 H new ATOM 0 HE1 PHE A 19 9.138 0.413 -20.690 1.00 13.35 H new ATOM 0 HE2 PHE A 19 9.404 -3.645 -19.409 1.00 65.44 H new ATOM 0 HZ PHE A 19 10.496 -1.580 -20.192 1.00 34.02 H new ATOM 309 N PHE A 20 6.591 -0.311 -17.037 1.00 2.40 N ATOM 310 CA PHE A 20 7.554 -0.417 -15.947 1.00 30.11 C ATOM 311 C PHE A 20 6.842 -0.556 -14.604 1.00 63.13 C ATOM 312 O PHE A 20 7.361 -1.175 -13.676 1.00 30.40 O ATOM 313 CB PHE A 20 8.471 0.808 -15.926 1.00 72.35 C ATOM 314 CG PHE A 20 7.897 1.973 -15.173 1.00 3.43 C ATOM 315 CD1 PHE A 20 6.765 2.625 -15.635 1.00 20.44 C ATOM 316 CD2 PHE A 20 8.491 2.418 -14.002 1.00 51.24 C ATOM 317 CE1 PHE A 20 6.234 3.697 -14.943 1.00 44.42 C ATOM 318 CE2 PHE A 20 7.965 3.490 -13.306 1.00 54.05 C ATOM 319 CZ PHE A 20 6.836 4.131 -13.778 1.00 52.21 C ATOM 0 H PHE A 20 6.744 0.482 -17.659 1.00 2.40 H new ATOM 0 HA PHE A 20 8.156 -1.310 -16.114 1.00 30.11 H new ATOM 0 HB2 PHE A 20 9.425 0.530 -15.478 1.00 72.35 H new ATOM 0 HB3 PHE A 20 8.678 1.115 -16.951 1.00 72.35 H new ATOM 0 HD1 PHE A 20 6.292 2.291 -16.547 1.00 20.44 H new ATOM 0 HD2 PHE A 20 9.375 1.921 -13.629 1.00 51.24 H new ATOM 0 HE1 PHE A 20 5.350 4.195 -15.313 1.00 44.42 H new ATOM 0 HE2 PHE A 20 8.436 3.826 -12.394 1.00 54.05 H new ATOM 0 HZ PHE A 20 6.425 4.970 -13.237 1.00 52.21 H new ATOM 329 N ALA A 21 5.651 0.026 -14.510 1.00 21.41 N ATOM 330 CA ALA A 21 4.867 -0.034 -13.283 1.00 0.04 C ATOM 331 C ALA A 21 4.077 -1.336 -13.198 1.00 41.44 C ATOM 332 O ALA A 21 3.864 -1.873 -12.112 1.00 54.12 O ATOM 333 CB ALA A 21 3.929 1.161 -13.197 1.00 3.22 C ATOM 0 H ALA A 21 5.208 0.544 -15.269 1.00 21.41 H new ATOM 0 HA ALA A 21 5.557 -0.003 -12.439 1.00 0.04 H new ATOM 0 HB1 ALA A 21 3.350 1.103 -12.276 1.00 3.22 H new ATOM 0 HB2 ALA A 21 4.512 2.082 -13.202 1.00 3.22 H new ATOM 0 HB3 ALA A 21 3.253 1.155 -14.052 1.00 3.22 H new ATOM 339 N GLU A 22 3.645 -1.836 -14.352 1.00 24.22 N ATOM 340 CA GLU A 22 2.877 -3.075 -14.407 1.00 4.45 C ATOM 341 C GLU A 22 3.779 -4.284 -14.176 1.00 35.25 C ATOM 342 O GLU A 22 3.324 -5.331 -13.713 1.00 2.20 O ATOM 343 CB GLU A 22 2.170 -3.203 -15.757 1.00 54.51 C ATOM 344 CG GLU A 22 0.965 -4.128 -15.728 1.00 12.25 C ATOM 345 CD GLU A 22 0.284 -4.243 -17.078 1.00 2.32 C ATOM 346 OE1 GLU A 22 0.961 -4.025 -18.104 1.00 60.43 O ATOM 347 OE2 GLU A 22 -0.926 -4.550 -17.107 1.00 61.52 O ATOM 0 H GLU A 22 3.813 -1.403 -15.260 1.00 24.22 H new ATOM 0 HA GLU A 22 2.129 -3.045 -13.615 1.00 4.45 H new ATOM 0 HB2 GLU A 22 1.850 -2.214 -16.085 1.00 54.51 H new ATOM 0 HB3 GLU A 22 2.881 -3.570 -16.497 1.00 54.51 H new ATOM 0 HG2 GLU A 22 1.280 -5.118 -15.399 1.00 12.25 H new ATOM 0 HG3 GLU A 22 0.248 -3.761 -14.994 1.00 12.25 H new ATOM 354 N ASP A 23 5.057 -4.133 -14.502 1.00 3.55 N ATOM 355 CA ASP A 23 6.023 -5.211 -14.330 1.00 24.44 C ATOM 356 C ASP A 23 6.962 -4.920 -13.163 1.00 13.22 C ATOM 357 O ASP A 23 8.167 -5.157 -13.247 1.00 73.41 O ATOM 358 CB ASP A 23 6.832 -5.410 -15.613 1.00 34.22 C ATOM 359 CG ASP A 23 7.270 -6.849 -15.804 1.00 10.12 C ATOM 360 OD1 ASP A 23 6.392 -7.735 -15.849 1.00 73.23 O ATOM 361 OD2 ASP A 23 8.491 -7.089 -15.907 1.00 4.41 O ATOM 0 H ASP A 23 5.449 -3.274 -14.887 1.00 3.55 H new ATOM 0 HA ASP A 23 5.472 -6.126 -14.111 1.00 24.44 H new ATOM 0 HB2 ASP A 23 6.233 -5.099 -16.469 1.00 34.22 H new ATOM 0 HB3 ASP A 23 7.711 -4.766 -15.588 1.00 34.22 H new ATOM 366 N VAL A 24 6.401 -4.402 -12.074 1.00 62.22 N ATOM 367 CA VAL A 24 7.187 -4.078 -10.890 1.00 5.10 C ATOM 368 C VAL A 24 7.493 -5.329 -10.073 1.00 55.44 C ATOM 369 O VAL A 24 8.492 -5.388 -9.359 1.00 1.44 O ATOM 370 CB VAL A 24 6.459 -3.058 -9.994 1.00 73.44 C ATOM 371 CG1 VAL A 24 6.381 -1.703 -10.681 1.00 61.52 C ATOM 372 CG2 VAL A 24 5.070 -3.563 -9.634 1.00 74.34 C ATOM 0 H VAL A 24 5.405 -4.198 -11.988 1.00 62.22 H new ATOM 0 HA VAL A 24 8.121 -3.640 -11.241 1.00 5.10 H new ATOM 0 HB VAL A 24 7.028 -2.938 -9.072 1.00 73.44 H new ATOM 0 HG11 VAL A 24 5.863 -0.996 -10.033 1.00 61.52 H new ATOM 0 HG12 VAL A 24 7.388 -1.339 -10.884 1.00 61.52 H new ATOM 0 HG13 VAL A 24 5.835 -1.802 -11.619 1.00 61.52 H new ATOM 0 HG21 VAL A 24 4.569 -2.831 -9.001 1.00 74.34 H new ATOM 0 HG22 VAL A 24 4.490 -3.712 -10.545 1.00 74.34 H new ATOM 0 HG23 VAL A 24 5.154 -4.509 -9.098 1.00 74.34 H new ATOM 382 N GLY A 25 6.623 -6.329 -10.185 1.00 43.42 N ATOM 383 CA GLY A 25 6.817 -7.566 -9.452 1.00 4.31 C ATOM 384 C GLY A 25 7.624 -8.583 -10.234 1.00 70.04 C ATOM 385 O GLY A 25 7.551 -8.632 -11.462 1.00 52.42 O ATOM 0 H GLY A 25 5.788 -6.304 -10.770 1.00 43.42 H new ATOM 0 HA2 GLY A 25 7.323 -7.351 -8.511 1.00 4.31 H new ATOM 0 HA3 GLY A 25 5.846 -7.992 -9.202 1.00 4.31 H new ATOM 389 N SER A 26 8.397 -9.397 -9.523 1.00 20.13 N ATOM 390 CA SER A 26 9.225 -10.415 -10.159 1.00 3.22 C ATOM 391 C SER A 26 8.713 -11.814 -9.832 1.00 21.20 C ATOM 392 O SER A 26 8.155 -12.048 -8.761 1.00 73.21 O ATOM 393 CB SER A 26 10.680 -10.274 -9.707 1.00 43.45 C ATOM 394 OG SER A 26 11.539 -11.081 -10.495 1.00 10.54 O ATOM 0 H SER A 26 8.467 -9.372 -8.506 1.00 20.13 H new ATOM 0 HA SER A 26 9.171 -10.270 -11.238 1.00 3.22 H new ATOM 0 HB2 SER A 26 10.987 -9.231 -9.780 1.00 43.45 H new ATOM 0 HB3 SER A 26 10.768 -10.559 -8.659 1.00 43.45 H new ATOM 0 HG SER A 26 12.463 -10.972 -10.188 1.00 10.54 H new ATOM 400 N ASN A 27 8.908 -12.741 -10.764 1.00 60.41 N ATOM 401 CA ASN A 27 8.466 -14.118 -10.577 1.00 33.53 C ATOM 402 C ASN A 27 9.659 -15.061 -10.454 1.00 30.22 C ATOM 403 O ASN A 27 10.652 -14.920 -11.168 1.00 30.41 O ATOM 404 CB ASN A 27 7.576 -14.553 -11.743 1.00 32.52 C ATOM 405 CG ASN A 27 8.069 -14.024 -13.075 1.00 42.24 C ATOM 406 OD1 ASN A 27 9.272 -13.997 -13.339 1.00 15.24 O ATOM 407 ND2 ASN A 27 7.140 -13.599 -13.924 1.00 30.13 N ATOM 0 H ASN A 27 9.369 -12.564 -11.656 1.00 60.41 H new ATOM 0 HA ASN A 27 7.891 -14.166 -9.652 1.00 33.53 H new ATOM 0 HB2 ASN A 27 7.536 -15.642 -11.780 1.00 32.52 H new ATOM 0 HB3 ASN A 27 6.558 -14.203 -11.570 1.00 32.52 H new ATOM 0 HD21 ASN A 27 7.412 -13.232 -14.836 1.00 30.13 H new ATOM 0 HD22 ASN A 27 6.155 -13.640 -13.664 1.00 30.13 H new ATOM 414 N LYS A 28 9.554 -16.023 -9.543 1.00 64.45 N ATOM 415 CA LYS A 28 10.623 -16.992 -9.327 1.00 12.32 C ATOM 416 C LYS A 28 10.743 -17.944 -10.512 1.00 74.02 C ATOM 417 O LYS A 28 11.835 -18.404 -10.844 1.00 14.52 O ATOM 418 CB LYS A 28 10.366 -17.786 -8.044 1.00 64.43 C ATOM 419 CG LYS A 28 10.931 -17.128 -6.798 1.00 1.05 C ATOM 420 CD LYS A 28 10.635 -17.946 -5.552 1.00 22.40 C ATOM 421 CE LYS A 28 9.253 -17.638 -4.998 1.00 34.10 C ATOM 422 NZ LYS A 28 8.195 -18.450 -5.661 1.00 64.44 N ATOM 0 H LYS A 28 8.740 -16.153 -8.942 1.00 64.45 H new ATOM 0 HA LYS A 28 11.561 -16.446 -9.228 1.00 12.32 H new ATOM 0 HB2 LYS A 28 9.292 -17.920 -7.919 1.00 64.43 H new ATOM 0 HB3 LYS A 28 10.801 -18.780 -8.149 1.00 64.43 H new ATOM 0 HG2 LYS A 28 12.009 -17.006 -6.907 1.00 1.05 H new ATOM 0 HG3 LYS A 28 10.507 -16.130 -6.688 1.00 1.05 H new ATOM 0 HD2 LYS A 28 10.705 -19.008 -5.788 1.00 22.40 H new ATOM 0 HD3 LYS A 28 11.388 -17.738 -4.792 1.00 22.40 H new ATOM 0 HE2 LYS A 28 9.240 -17.832 -3.925 1.00 34.10 H new ATOM 0 HE3 LYS A 28 9.036 -16.578 -5.133 1.00 34.10 H new ATOM 0 HZ1 LYS A 28 7.587 -17.829 -6.232 1.00 64.44 H new ATOM 0 HZ2 LYS A 28 8.638 -19.162 -6.276 1.00 64.44 H new ATOM 0 HZ3 LYS A 28 7.620 -18.928 -4.938 1.00 64.44 H new ATOM 436 N GLY A 29 9.612 -18.235 -11.148 1.00 70.35 N ATOM 437 CA GLY A 29 9.613 -19.130 -12.291 1.00 30.31 C ATOM 438 C GLY A 29 8.503 -18.816 -13.274 1.00 70.52 C ATOM 439 O GLY A 29 7.323 -18.922 -12.943 1.00 34.34 O ATOM 0 H GLY A 29 8.696 -17.867 -10.892 1.00 70.35 H new ATOM 0 HA2 GLY A 29 10.575 -19.063 -12.800 1.00 30.31 H new ATOM 0 HA3 GLY A 29 9.507 -20.158 -11.944 1.00 30.31 H new ATOM 443 N ALA A 30 8.882 -18.428 -14.487 1.00 53.53 N ATOM 444 CA ALA A 30 7.909 -18.097 -15.522 1.00 24.51 C ATOM 445 C ALA A 30 8.081 -18.995 -16.743 1.00 11.12 C ATOM 446 O ALA A 30 7.839 -18.573 -17.874 1.00 11.41 O ATOM 447 CB ALA A 30 8.037 -16.634 -15.918 1.00 53.02 C ATOM 0 H ALA A 30 9.855 -18.335 -14.778 1.00 53.53 H new ATOM 0 HA ALA A 30 6.911 -18.266 -15.116 1.00 24.51 H new ATOM 0 HB1 ALA A 30 7.305 -16.401 -16.691 1.00 53.02 H new ATOM 0 HB2 ALA A 30 7.858 -16.004 -15.047 1.00 53.02 H new ATOM 0 HB3 ALA A 30 9.040 -16.447 -16.300 1.00 53.02 H new ATOM 453 N ILE A 31 8.500 -20.233 -16.507 1.00 21.44 N ATOM 454 CA ILE A 31 8.703 -21.190 -17.588 1.00 3.23 C ATOM 455 C ILE A 31 7.381 -21.555 -18.254 1.00 44.25 C ATOM 456 O ILE A 31 7.347 -21.916 -19.431 1.00 62.12 O ATOM 457 CB ILE A 31 9.382 -22.476 -17.081 1.00 63.03 C ATOM 458 CG1 ILE A 31 8.584 -23.078 -15.923 1.00 60.11 C ATOM 459 CG2 ILE A 31 10.813 -22.186 -16.652 1.00 14.15 C ATOM 460 CD1 ILE A 31 9.085 -24.437 -15.486 1.00 51.10 C ATOM 0 H ILE A 31 8.706 -20.597 -15.577 1.00 21.44 H new ATOM 0 HA ILE A 31 9.354 -20.709 -18.318 1.00 3.23 H new ATOM 0 HB ILE A 31 9.407 -23.201 -17.895 1.00 63.03 H new ATOM 0 HG12 ILE A 31 8.621 -22.396 -15.074 1.00 60.11 H new ATOM 0 HG13 ILE A 31 7.538 -23.163 -16.218 1.00 60.11 H new ATOM 0 HG21 ILE A 31 11.279 -23.105 -16.296 1.00 14.15 H new ATOM 0 HG22 ILE A 31 11.376 -21.798 -17.501 1.00 14.15 H new ATOM 0 HG23 ILE A 31 10.810 -21.447 -15.851 1.00 14.15 H new ATOM 0 HD11 ILE A 31 8.473 -24.803 -14.662 1.00 51.10 H new ATOM 0 HD12 ILE A 31 9.022 -25.134 -16.322 1.00 51.10 H new ATOM 0 HD13 ILE A 31 10.122 -24.355 -15.159 1.00 51.10 H new ATOM 472 N ILE A 32 6.295 -21.456 -17.496 1.00 23.35 N ATOM 473 CA ILE A 32 4.970 -21.773 -18.014 1.00 23.31 C ATOM 474 C ILE A 32 4.671 -20.978 -19.280 1.00 53.10 C ATOM 475 O ILE A 32 3.913 -21.423 -20.141 1.00 32.33 O ATOM 476 CB ILE A 32 3.874 -21.488 -16.970 1.00 43.43 C ATOM 477 CG1 ILE A 32 4.131 -22.294 -15.695 1.00 41.34 C ATOM 478 CG2 ILE A 32 2.502 -21.812 -17.541 1.00 71.03 C ATOM 479 CD1 ILE A 32 3.257 -21.880 -14.533 1.00 14.25 C ATOM 0 H ILE A 32 6.306 -21.159 -16.520 1.00 23.35 H new ATOM 0 HA ILE A 32 4.968 -22.838 -18.248 1.00 23.31 H new ATOM 0 HB ILE A 32 3.900 -20.428 -16.718 1.00 43.43 H new ATOM 0 HG12 ILE A 32 3.967 -23.351 -15.904 1.00 41.34 H new ATOM 0 HG13 ILE A 32 5.177 -22.184 -15.410 1.00 41.34 H new ATOM 0 HG21 ILE A 32 1.738 -21.605 -16.792 1.00 71.03 H new ATOM 0 HG22 ILE A 32 2.321 -21.198 -18.423 1.00 71.03 H new ATOM 0 HG23 ILE A 32 2.463 -22.865 -17.818 1.00 71.03 H new ATOM 0 HD11 ILE A 32 3.493 -22.493 -13.663 1.00 14.25 H new ATOM 0 HD12 ILE A 32 3.438 -20.831 -14.297 1.00 14.25 H new ATOM 0 HD13 ILE A 32 2.209 -22.017 -14.799 1.00 14.25 H new ATOM 491 N GLY A 33 5.273 -19.797 -19.388 1.00 22.45 N ATOM 492 CA GLY A 33 5.060 -18.959 -20.553 1.00 32.13 C ATOM 493 C GLY A 33 6.280 -18.892 -21.450 1.00 12.43 C ATOM 494 O GLY A 33 7.366 -18.517 -21.006 1.00 22.31 O ATOM 0 H GLY A 33 5.905 -19.406 -18.689 1.00 22.45 H new ATOM 0 HA2 GLY A 33 4.214 -19.343 -21.123 1.00 32.13 H new ATOM 0 HA3 GLY A 33 4.795 -17.952 -20.229 1.00 32.13 H new ATOM 498 N LEU A 34 6.103 -19.256 -22.715 1.00 33.12 N ATOM 499 CA LEU A 34 7.199 -19.237 -23.677 1.00 51.02 C ATOM 500 C LEU A 34 7.845 -17.857 -23.739 1.00 51.44 C ATOM 501 O LEU A 34 9.058 -17.735 -23.910 1.00 74.31 O ATOM 502 CB LEU A 34 6.693 -19.639 -25.064 1.00 24.02 C ATOM 503 CG LEU A 34 7.766 -19.861 -26.131 1.00 11.30 C ATOM 504 CD1 LEU A 34 8.729 -20.957 -25.701 1.00 14.53 C ATOM 505 CD2 LEU A 34 7.125 -20.206 -27.467 1.00 41.34 C ATOM 0 H LEU A 34 5.211 -19.568 -23.099 1.00 33.12 H new ATOM 0 HA LEU A 34 7.951 -19.955 -23.349 1.00 51.02 H new ATOM 0 HB2 LEU A 34 6.112 -20.556 -24.965 1.00 24.02 H new ATOM 0 HB3 LEU A 34 6.011 -18.866 -25.418 1.00 24.02 H new ATOM 0 HG LEU A 34 8.331 -18.936 -26.249 1.00 11.30 H new ATOM 0 HD11 LEU A 34 9.485 -21.100 -26.473 1.00 14.53 H new ATOM 0 HD12 LEU A 34 9.213 -20.670 -24.768 1.00 14.53 H new ATOM 0 HD13 LEU A 34 8.180 -21.887 -25.554 1.00 14.53 H new ATOM 0 HD21 LEU A 34 7.903 -20.361 -28.215 1.00 41.34 H new ATOM 0 HD22 LEU A 34 6.535 -21.117 -27.363 1.00 41.34 H new ATOM 0 HD23 LEU A 34 6.477 -19.388 -27.782 1.00 41.34 H new ATOM 517 N MET A 35 7.027 -16.819 -23.598 1.00 34.14 N ATOM 518 CA MET A 35 7.519 -15.447 -23.634 1.00 64.03 C ATOM 519 C MET A 35 6.758 -14.569 -22.646 1.00 24.55 C ATOM 520 O MET A 35 5.633 -14.885 -22.258 1.00 63.31 O ATOM 521 CB MET A 35 7.391 -14.874 -25.047 1.00 14.21 C ATOM 522 CG MET A 35 5.953 -14.761 -25.528 1.00 1.50 C ATOM 523 SD MET A 35 5.833 -14.546 -27.314 1.00 45.42 S ATOM 524 CE MET A 35 4.076 -14.258 -27.504 1.00 33.53 C ATOM 0 H MET A 35 6.020 -16.902 -23.458 1.00 34.14 H new ATOM 0 HA MET A 35 8.571 -15.457 -23.347 1.00 64.03 H new ATOM 0 HB2 MET A 35 7.853 -13.887 -25.074 1.00 14.21 H new ATOM 0 HB3 MET A 35 7.948 -15.506 -25.739 1.00 14.21 H new ATOM 0 HG2 MET A 35 5.405 -15.657 -25.236 1.00 1.50 H new ATOM 0 HG3 MET A 35 5.473 -13.918 -25.031 1.00 1.50 H new ATOM 0 HE1 MET A 35 3.844 -14.107 -28.558 1.00 33.53 H new ATOM 0 HE2 MET A 35 3.524 -15.120 -27.131 1.00 33.53 H new ATOM 0 HE3 MET A 35 3.789 -13.371 -26.938 1.00 33.53 H new ATOM 534 N VAL A 36 7.380 -13.466 -22.240 1.00 75.33 N ATOM 535 CA VAL A 36 6.760 -12.543 -21.297 1.00 42.22 C ATOM 536 C VAL A 36 6.285 -11.276 -22.000 1.00 5.10 C ATOM 537 O VAL A 36 7.023 -10.670 -22.776 1.00 62.42 O ATOM 538 CB VAL A 36 7.734 -12.156 -20.168 1.00 62.34 C ATOM 539 CG1 VAL A 36 7.019 -11.341 -19.102 1.00 21.13 C ATOM 540 CG2 VAL A 36 8.369 -13.400 -19.564 1.00 43.44 C ATOM 0 H VAL A 36 8.312 -13.190 -22.549 1.00 75.33 H new ATOM 0 HA VAL A 36 5.902 -13.059 -20.866 1.00 42.22 H new ATOM 0 HB VAL A 36 8.527 -11.539 -20.591 1.00 62.34 H new ATOM 0 HG11 VAL A 36 7.723 -11.077 -18.313 1.00 21.13 H new ATOM 0 HG12 VAL A 36 6.616 -10.432 -19.548 1.00 21.13 H new ATOM 0 HG13 VAL A 36 6.204 -11.929 -18.680 1.00 21.13 H new ATOM 0 HG21 VAL A 36 9.054 -13.109 -18.768 1.00 43.44 H new ATOM 0 HG22 VAL A 36 7.590 -14.044 -19.155 1.00 43.44 H new ATOM 0 HG23 VAL A 36 8.918 -13.940 -20.336 1.00 43.44 H new ATOM 550 N GLY A 37 5.047 -10.880 -21.722 1.00 1.34 N ATOM 551 CA GLY A 37 4.495 -9.686 -22.335 1.00 35.20 C ATOM 552 C GLY A 37 5.165 -8.419 -21.844 1.00 42.52 C ATOM 553 O GLY A 37 5.127 -7.388 -22.515 1.00 14.12 O ATOM 0 H GLY A 37 4.416 -11.365 -21.083 1.00 1.34 H new ATOM 0 HA2 GLY A 37 4.603 -9.754 -23.417 1.00 35.20 H new ATOM 0 HA3 GLY A 37 3.427 -9.634 -22.124 1.00 35.20 H new ATOM 557 N GLY A 38 5.781 -8.494 -20.668 1.00 42.32 N ATOM 558 CA GLY A 38 6.453 -7.336 -20.107 1.00 52.12 C ATOM 559 C GLY A 38 7.439 -6.712 -21.075 1.00 21.52 C ATOM 560 O GLY A 38 7.546 -5.489 -21.162 1.00 32.11 O ATOM 0 H GLY A 38 5.827 -9.336 -20.094 1.00 42.32 H new ATOM 0 HA2 GLY A 38 5.710 -6.592 -19.820 1.00 52.12 H new ATOM 0 HA3 GLY A 38 6.978 -7.629 -19.198 1.00 52.12 H new ATOM 564 N VAL A 39 8.164 -7.555 -21.804 1.00 21.34 N ATOM 565 CA VAL A 39 9.147 -7.080 -22.769 1.00 45.04 C ATOM 566 C VAL A 39 8.511 -6.853 -24.136 1.00 34.51 C ATOM 567 O VAL A 39 8.971 -6.020 -24.917 1.00 33.50 O ATOM 568 CB VAL A 39 10.315 -8.074 -22.918 1.00 34.14 C ATOM 569 CG1 VAL A 39 11.091 -8.184 -21.614 1.00 61.33 C ATOM 570 CG2 VAL A 39 9.801 -9.436 -23.358 1.00 71.35 C ATOM 0 H VAL A 39 8.088 -8.570 -21.744 1.00 21.34 H new ATOM 0 HA VAL A 39 9.531 -6.134 -22.388 1.00 45.04 H new ATOM 0 HB VAL A 39 10.992 -7.701 -23.686 1.00 34.14 H new ATOM 0 HG11 VAL A 39 11.912 -8.890 -21.738 1.00 61.33 H new ATOM 0 HG12 VAL A 39 11.491 -7.206 -21.345 1.00 61.33 H new ATOM 0 HG13 VAL A 39 10.427 -8.534 -20.824 1.00 61.33 H new ATOM 0 HG21 VAL A 39 10.639 -10.126 -23.458 1.00 71.35 H new ATOM 0 HG22 VAL A 39 9.103 -9.819 -22.614 1.00 71.35 H new ATOM 0 HG23 VAL A 39 9.293 -9.340 -24.317 1.00 71.35 H new ATOM 580 N VAL A 40 7.448 -7.601 -24.419 1.00 1.42 N ATOM 581 CA VAL A 40 6.746 -7.481 -25.691 1.00 11.41 C ATOM 582 C VAL A 40 5.262 -7.203 -25.476 1.00 4.03 C ATOM 583 O VAL A 40 4.530 -8.048 -24.961 1.00 64.21 O ATOM 584 CB VAL A 40 6.900 -8.757 -26.540 1.00 4.53 C ATOM 585 CG1 VAL A 40 8.308 -8.852 -27.109 1.00 74.21 C ATOM 586 CG2 VAL A 40 6.566 -9.989 -25.714 1.00 33.24 C ATOM 0 H VAL A 40 7.055 -8.296 -23.784 1.00 1.42 H new ATOM 0 HA VAL A 40 7.196 -6.643 -26.223 1.00 11.41 H new ATOM 0 HB VAL A 40 6.199 -8.706 -27.373 1.00 4.53 H new ATOM 0 HG11 VAL A 40 8.399 -9.759 -27.706 1.00 74.21 H new ATOM 0 HG12 VAL A 40 8.506 -7.983 -27.737 1.00 74.21 H new ATOM 0 HG13 VAL A 40 9.029 -8.881 -26.292 1.00 74.21 H new ATOM 0 HG21 VAL A 40 6.680 -10.881 -26.329 1.00 33.24 H new ATOM 0 HG22 VAL A 40 7.241 -10.048 -24.860 1.00 33.24 H new ATOM 0 HG23 VAL A 40 5.537 -9.922 -25.360 1.00 33.24 H new TER 596 VAL A 40