USER MOD reduce.3.24.130724 H: found=0, std=0, add=310, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 280 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 2 SER OG : rot 25:sc= 0.55 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -162:sc=-0.00309 (180deg=-0.147) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.14 K(o=0.14,f=-2.7) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 66:sc= 1.31 USER MOD Single : A 36 THR OG1 : rot -11:sc= -0.224 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -6.844 22.970 -5.910 1.00 31.14 N ATOM 9 CA SER A 2 -6.642 21.812 -6.772 1.00 34.20 C ATOM 10 C SER A 2 -5.411 21.997 -7.652 1.00 53.13 C ATOM 11 O SER A 2 -5.078 23.116 -8.044 1.00 73.42 O ATOM 12 CB SER A 2 -7.877 21.578 -7.644 1.00 41.41 C ATOM 13 OG SER A 2 -9.058 21.990 -6.978 1.00 35.32 O ATOM 0 HA SER A 2 -6.484 20.940 -6.137 1.00 34.20 H new ATOM 0 HB2 SER A 2 -7.774 22.126 -8.580 1.00 41.41 H new ATOM 0 HB3 SER A 2 -7.950 20.521 -7.900 1.00 41.41 H new ATOM 0 HG SER A 2 -8.836 22.672 -6.310 1.00 35.32 H new ATOM 18 N GLN A 3 -4.739 20.893 -7.960 1.00 51.34 N ATOM 19 CA GLN A 3 -3.543 20.933 -8.793 1.00 55.33 C ATOM 20 C GLN A 3 -2.439 21.743 -8.123 1.00 60.32 C ATOM 21 O GLN A 3 -1.630 22.385 -8.793 1.00 61.24 O ATOM 22 CB GLN A 3 -3.871 21.532 -10.163 1.00 62.11 C ATOM 23 CG GLN A 3 -2.983 21.013 -11.282 1.00 14.12 C ATOM 24 CD GLN A 3 -3.489 19.711 -11.872 1.00 3.32 C ATOM 25 OE1 GLN A 3 -4.407 19.703 -12.693 1.00 3.24 O ATOM 26 NE2 GLN A 3 -2.892 18.601 -11.456 1.00 60.44 N ATOM 0 H GLN A 3 -5.002 19.959 -7.645 1.00 51.34 H new ATOM 0 HA GLN A 3 -3.189 19.911 -8.925 1.00 55.33 H new ATOM 0 HB2 GLN A 3 -4.911 21.315 -10.406 1.00 62.11 H new ATOM 0 HB3 GLN A 3 -3.776 22.616 -10.108 1.00 62.11 H new ATOM 0 HG2 GLN A 3 -2.921 21.764 -12.069 1.00 14.12 H new ATOM 0 HG3 GLN A 3 -1.973 20.866 -10.901 1.00 14.12 H new ATOM 0 HE21 GLN A 3 -2.135 18.654 -10.774 1.00 60.44 H new ATOM 0 HE22 GLN A 3 -3.190 17.695 -11.818 1.00 60.44 H new ATOM 33 N LYS A 4 -2.411 21.709 -6.795 1.00 63.42 N ATOM 34 CA LYS A 4 -1.405 22.438 -6.031 1.00 40.34 C ATOM 35 C LYS A 4 -0.434 21.477 -5.353 1.00 31.32 C ATOM 36 O LYS A 4 0.717 21.825 -5.087 1.00 3.42 O ATOM 37 CB LYS A 4 -2.077 23.326 -4.981 1.00 52.10 C ATOM 38 CG LYS A 4 -2.603 24.636 -5.540 1.00 71.03 C ATOM 39 CD LYS A 4 -2.877 25.644 -4.436 1.00 64.32 C ATOM 40 CE LYS A 4 -2.730 27.072 -4.937 1.00 23.44 C ATOM 41 NZ LYS A 4 -1.306 27.434 -5.172 1.00 41.31 N ATOM 0 H LYS A 4 -3.074 21.184 -6.225 1.00 63.42 H new ATOM 0 HA LYS A 4 -0.843 23.065 -6.723 1.00 40.34 H new ATOM 0 HB2 LYS A 4 -2.902 22.777 -4.527 1.00 52.10 H new ATOM 0 HB3 LYS A 4 -1.362 23.540 -4.187 1.00 52.10 H new ATOM 0 HG2 LYS A 4 -1.878 25.051 -6.241 1.00 71.03 H new ATOM 0 HG3 LYS A 4 -3.519 24.451 -6.101 1.00 71.03 H new ATOM 0 HD2 LYS A 4 -3.885 25.495 -4.048 1.00 64.32 H new ATOM 0 HD3 LYS A 4 -2.188 25.475 -3.608 1.00 64.32 H new ATOM 0 HE2 LYS A 4 -3.292 27.192 -5.863 1.00 23.44 H new ATOM 0 HE3 LYS A 4 -3.164 27.758 -4.210 1.00 23.44 H new ATOM 0 HZ1 LYS A 4 -1.213 28.469 -5.213 1.00 41.31 H new ATOM 0 HZ2 LYS A 4 -0.721 27.064 -4.396 1.00 41.31 H new ATOM 0 HZ3 LYS A 4 -0.987 27.022 -6.072 1.00 41.31 H new ATOM 51 N LEU A 5 -0.904 20.265 -5.077 1.00 20.55 N ATOM 52 CA LEU A 5 -0.076 19.253 -4.431 1.00 23.50 C ATOM 53 C LEU A 5 0.835 18.567 -5.444 1.00 62.43 C ATOM 54 O LEU A 5 2.048 18.485 -5.248 1.00 73.01 O ATOM 55 CB LEU A 5 -0.957 18.213 -3.734 1.00 42.12 C ATOM 56 CG LEU A 5 -0.356 17.543 -2.498 1.00 12.30 C ATOM 57 CD1 LEU A 5 0.924 16.807 -2.860 1.00 43.12 C ATOM 58 CD2 LEU A 5 -0.092 18.572 -1.409 1.00 44.22 C ATOM 0 H LEU A 5 -1.854 19.960 -5.290 1.00 20.55 H new ATOM 0 HA LEU A 5 0.547 19.750 -3.687 1.00 23.50 H new ATOM 0 HB2 LEU A 5 -1.891 18.694 -3.444 1.00 42.12 H new ATOM 0 HB3 LEU A 5 -1.209 17.437 -4.457 1.00 42.12 H new ATOM 0 HG LEU A 5 -1.073 16.816 -2.117 1.00 12.30 H new ATOM 0 HD11 LEU A 5 1.338 16.336 -1.968 1.00 43.12 H new ATOM 0 HD12 LEU A 5 0.706 16.043 -3.606 1.00 43.12 H new ATOM 0 HD13 LEU A 5 1.648 17.514 -3.266 1.00 43.12 H new ATOM 0 HD21 LEU A 5 0.336 18.077 -0.537 1.00 44.22 H new ATOM 0 HD22 LEU A 5 0.606 19.323 -1.779 1.00 44.22 H new ATOM 0 HD23 LEU A 5 -1.029 19.054 -1.130 1.00 44.22 H new ATOM 69 N VAL A 6 0.243 18.075 -6.527 1.00 54.43 N ATOM 70 CA VAL A 6 1.001 17.399 -7.574 1.00 4.23 C ATOM 71 C VAL A 6 2.154 18.267 -8.064 1.00 3.22 C ATOM 72 O VAL A 6 3.259 17.777 -8.299 1.00 25.32 O ATOM 73 CB VAL A 6 0.103 17.033 -8.771 1.00 21.25 C ATOM 74 CG1 VAL A 6 0.917 16.355 -9.861 1.00 65.32 C ATOM 75 CG2 VAL A 6 -1.047 16.145 -8.321 1.00 34.34 C ATOM 0 H VAL A 6 -0.760 18.132 -6.703 1.00 54.43 H new ATOM 0 HA VAL A 6 1.399 16.484 -7.136 1.00 4.23 H new ATOM 0 HB VAL A 6 -0.317 17.951 -9.183 1.00 21.25 H new ATOM 0 HG11 VAL A 6 0.266 16.104 -10.698 1.00 65.32 H new ATOM 0 HG12 VAL A 6 1.702 17.030 -10.202 1.00 65.32 H new ATOM 0 HG13 VAL A 6 1.367 15.444 -9.466 1.00 65.32 H new ATOM 0 HG21 VAL A 6 -1.672 15.896 -9.179 1.00 34.34 H new ATOM 0 HG22 VAL A 6 -0.650 15.229 -7.883 1.00 34.34 H new ATOM 0 HG23 VAL A 6 -1.645 16.673 -7.578 1.00 34.34 H new ATOM 85 N PHE A 7 1.890 19.561 -8.218 1.00 1.02 N ATOM 86 CA PHE A 7 2.907 20.499 -8.681 1.00 71.23 C ATOM 87 C PHE A 7 4.106 20.511 -7.738 1.00 61.25 C ATOM 88 O PHE A 7 5.241 20.285 -8.157 1.00 44.30 O ATOM 89 CB PHE A 7 2.319 21.906 -8.794 1.00 14.44 C ATOM 90 CG PHE A 7 3.308 22.934 -9.262 1.00 10.43 C ATOM 91 CD1 PHE A 7 3.807 22.898 -10.554 1.00 75.25 C ATOM 92 CD2 PHE A 7 3.741 23.937 -8.409 1.00 63.55 C ATOM 93 CE1 PHE A 7 4.718 23.842 -10.989 1.00 21.34 C ATOM 94 CE2 PHE A 7 4.652 24.884 -8.838 1.00 21.02 C ATOM 95 CZ PHE A 7 5.142 24.836 -10.128 1.00 52.42 C ATOM 0 H PHE A 7 0.981 19.984 -8.029 1.00 1.02 H new ATOM 0 HA PHE A 7 3.245 20.173 -9.665 1.00 71.23 H new ATOM 0 HB2 PHE A 7 1.476 21.884 -9.484 1.00 14.44 H new ATOM 0 HB3 PHE A 7 1.927 22.206 -7.822 1.00 14.44 H new ATOM 0 HD1 PHE A 7 3.480 22.122 -11.230 1.00 75.25 H new ATOM 0 HD2 PHE A 7 3.363 23.979 -7.398 1.00 63.55 H new ATOM 0 HE1 PHE A 7 5.097 23.803 -11.999 1.00 21.34 H new ATOM 0 HE2 PHE A 7 4.981 25.661 -8.164 1.00 21.02 H new ATOM 0 HZ PHE A 7 5.855 25.574 -10.463 1.00 52.42 H new ATOM 104 N PHE A 8 3.845 20.775 -6.462 1.00 45.51 N ATOM 105 CA PHE A 8 4.903 20.819 -5.460 1.00 24.44 C ATOM 106 C PHE A 8 5.556 19.448 -5.297 1.00 15.13 C ATOM 107 O PHE A 8 6.720 19.345 -4.915 1.00 50.42 O ATOM 108 CB PHE A 8 4.343 21.292 -4.117 1.00 30.44 C ATOM 109 CG PHE A 8 5.402 21.718 -3.141 1.00 62.40 C ATOM 110 CD1 PHE A 8 5.847 23.029 -3.111 1.00 51.20 C ATOM 111 CD2 PHE A 8 5.951 20.807 -2.254 1.00 5.01 C ATOM 112 CE1 PHE A 8 6.823 23.424 -2.215 1.00 52.20 C ATOM 113 CE2 PHE A 8 6.927 21.196 -1.354 1.00 41.12 C ATOM 114 CZ PHE A 8 7.363 22.506 -1.335 1.00 13.04 C ATOM 0 H PHE A 8 2.911 20.962 -6.098 1.00 45.51 H new ATOM 0 HA PHE A 8 5.661 21.525 -5.799 1.00 24.44 H new ATOM 0 HB2 PHE A 8 3.663 22.126 -4.290 1.00 30.44 H new ATOM 0 HB3 PHE A 8 3.755 20.488 -3.674 1.00 30.44 H new ATOM 0 HD1 PHE A 8 5.427 23.751 -3.795 1.00 51.20 H new ATOM 0 HD2 PHE A 8 5.613 19.781 -2.265 1.00 5.01 H new ATOM 0 HE1 PHE A 8 7.163 24.449 -2.203 1.00 52.20 H new ATOM 0 HE2 PHE A 8 7.347 20.476 -0.667 1.00 41.12 H new ATOM 0 HZ PHE A 8 8.125 22.812 -0.633 1.00 13.04 H new ATOM 123 N ALA A 9 4.794 18.399 -5.588 1.00 51.30 N ATOM 124 CA ALA A 9 5.296 17.036 -5.476 1.00 52.12 C ATOM 125 C ALA A 9 6.319 16.737 -6.567 1.00 72.24 C ATOM 126 O ALA A 9 7.358 16.132 -6.307 1.00 23.43 O ATOM 127 CB ALA A 9 4.146 16.042 -5.541 1.00 50.24 C ATOM 0 H ALA A 9 3.826 18.468 -5.903 1.00 51.30 H new ATOM 0 HA ALA A 9 5.793 16.936 -4.511 1.00 52.12 H new ATOM 0 HB1 ALA A 9 4.536 15.028 -5.456 1.00 50.24 H new ATOM 0 HB2 ALA A 9 3.453 16.234 -4.722 1.00 50.24 H new ATOM 0 HB3 ALA A 9 3.624 16.151 -6.492 1.00 50.24 H new ATOM 133 N GLU A 10 6.017 17.163 -7.789 1.00 32.14 N ATOM 134 CA GLU A 10 6.910 16.939 -8.919 1.00 70.31 C ATOM 135 C GLU A 10 8.020 17.985 -8.952 1.00 12.15 C ATOM 136 O GLU A 10 9.106 17.738 -9.476 1.00 2.25 O ATOM 137 CB GLU A 10 6.126 16.971 -10.233 1.00 21.33 C ATOM 138 CG GLU A 10 5.208 15.775 -10.422 1.00 53.12 C ATOM 139 CD GLU A 10 5.946 14.453 -10.333 1.00 34.02 C ATOM 140 OE1 GLU A 10 7.144 14.418 -10.678 1.00 44.25 O ATOM 141 OE2 GLU A 10 5.323 13.453 -9.917 1.00 10.54 O ATOM 0 H GLU A 10 5.160 17.665 -8.022 1.00 32.14 H new ATOM 0 HA GLU A 10 7.364 15.955 -8.799 1.00 70.31 H new ATOM 0 HB2 GLU A 10 5.532 17.884 -10.270 1.00 21.33 H new ATOM 0 HB3 GLU A 10 6.829 17.014 -11.065 1.00 21.33 H new ATOM 0 HG2 GLU A 10 4.424 15.801 -9.665 1.00 53.12 H new ATOM 0 HG3 GLU A 10 4.717 15.848 -11.393 1.00 53.12 H new ATOM 146 N ASP A 11 7.739 19.155 -8.389 1.00 33.45 N ATOM 147 CA ASP A 11 8.713 20.240 -8.352 1.00 33.15 C ATOM 148 C ASP A 11 9.804 19.956 -7.324 1.00 11.32 C ATOM 149 O ASP A 11 10.993 20.039 -7.628 1.00 45.11 O ATOM 150 CB ASP A 11 8.020 21.564 -8.026 1.00 11.24 C ATOM 151 CG ASP A 11 9.006 22.698 -7.819 1.00 10.02 C ATOM 152 OD1 ASP A 11 9.594 23.163 -8.818 1.00 14.04 O ATOM 153 OD2 ASP A 11 9.188 23.120 -6.659 1.00 24.30 O ATOM 0 H ASP A 11 6.844 19.377 -7.952 1.00 33.45 H new ATOM 0 HA ASP A 11 9.176 20.314 -9.336 1.00 33.15 H new ATOM 0 HB2 ASP A 11 7.338 21.823 -8.836 1.00 11.24 H new ATOM 0 HB3 ASP A 11 7.416 21.443 -7.127 1.00 11.24 H new ATOM 157 N VAL A 12 9.390 19.623 -6.106 1.00 71.44 N ATOM 158 CA VAL A 12 10.332 19.327 -5.034 1.00 23.40 C ATOM 159 C VAL A 12 10.639 17.835 -4.968 1.00 24.10 C ATOM 160 O VAL A 12 11.787 17.418 -5.118 1.00 3.34 O ATOM 161 CB VAL A 12 9.791 19.789 -3.668 1.00 22.51 C ATOM 162 CG1 VAL A 12 10.805 19.509 -2.568 1.00 53.31 C ATOM 163 CG2 VAL A 12 9.432 21.267 -3.710 1.00 23.21 C ATOM 0 H VAL A 12 8.409 19.551 -5.837 1.00 71.44 H new ATOM 0 HA VAL A 12 11.248 19.874 -5.258 1.00 23.40 H new ATOM 0 HB VAL A 12 8.886 19.224 -3.446 1.00 22.51 H new ATOM 0 HG11 VAL A 12 10.405 19.842 -1.611 1.00 53.31 H new ATOM 0 HG12 VAL A 12 11.008 18.439 -2.524 1.00 53.31 H new ATOM 0 HG13 VAL A 12 11.730 20.045 -2.781 1.00 53.31 H new ATOM 0 HG21 VAL A 12 9.051 21.577 -2.737 1.00 23.21 H new ATOM 0 HG22 VAL A 12 10.320 21.850 -3.955 1.00 23.21 H new ATOM 0 HG23 VAL A 12 8.667 21.434 -4.469 1.00 23.21 H new ATOM 173 N GLY A 13 9.603 17.032 -4.742 1.00 21.24 N ATOM 174 CA GLY A 13 9.782 15.594 -4.660 1.00 53.31 C ATOM 175 C GLY A 13 10.501 15.030 -5.870 1.00 52.13 C ATOM 176 O GLY A 13 10.150 15.339 -7.009 1.00 41.22 O ATOM 0 H GLY A 13 8.643 17.352 -4.614 1.00 21.24 H new ATOM 0 HA2 GLY A 13 10.347 15.352 -3.760 1.00 53.31 H new ATOM 0 HA3 GLY A 13 8.808 15.114 -4.564 1.00 53.31 H new ATOM 180 N SER A 14 11.511 14.202 -5.624 1.00 33.44 N ATOM 181 CA SER A 14 12.285 13.598 -6.701 1.00 72.33 C ATOM 182 C SER A 14 11.429 12.620 -7.502 1.00 51.33 C ATOM 183 O SER A 14 11.370 12.692 -8.730 1.00 24.54 O ATOM 184 CB SER A 14 13.509 12.876 -6.136 1.00 44.03 C ATOM 185 OG SER A 14 14.538 12.781 -7.106 1.00 1.13 O ATOM 0 H SER A 14 11.812 13.934 -4.687 1.00 33.44 H new ATOM 0 HA SER A 14 12.617 14.394 -7.367 1.00 72.33 H new ATOM 0 HB2 SER A 14 13.878 13.410 -5.261 1.00 44.03 H new ATOM 0 HB3 SER A 14 13.225 11.878 -5.804 1.00 44.03 H new ATOM 0 HG SER A 14 15.310 12.317 -6.720 1.00 1.13 H new ATOM 190 N ASN A 15 10.767 11.708 -6.799 1.00 20.31 N ATOM 191 CA ASN A 15 9.915 10.715 -7.443 1.00 13.43 C ATOM 192 C ASN A 15 8.985 10.056 -6.429 1.00 71.02 C ATOM 193 O ASN A 15 9.241 8.944 -5.966 1.00 71.10 O ATOM 194 CB ASN A 15 10.770 9.651 -8.135 1.00 12.31 C ATOM 195 CG ASN A 15 10.048 8.996 -9.298 1.00 3.43 C ATOM 196 OD1 ASN A 15 8.848 8.731 -9.227 1.00 54.01 O ATOM 197 ND2 ASN A 15 10.778 8.734 -10.375 1.00 41.20 N ATOM 0 H ASN A 15 10.804 11.636 -5.782 1.00 20.31 H new ATOM 0 HA ASN A 15 9.306 11.225 -8.190 1.00 13.43 H new ATOM 0 HB2 ASN A 15 11.693 10.107 -8.494 1.00 12.31 H new ATOM 0 HB3 ASN A 15 11.053 8.888 -7.410 1.00 12.31 H new ATOM 0 HD21 ASN A 15 10.347 8.295 -11.189 1.00 41.20 H new ATOM 0 HD22 ASN A 15 11.770 8.971 -10.389 1.00 41.20 H new ATOM 203 N LYS A 16 7.904 10.749 -6.088 1.00 10.11 N ATOM 204 CA LYS A 16 6.934 10.231 -5.131 1.00 14.12 C ATOM 205 C LYS A 16 6.079 9.136 -5.761 1.00 22.23 C ATOM 206 O LYS A 16 5.757 8.139 -5.116 1.00 30.24 O ATOM 207 CB LYS A 16 6.037 11.362 -4.620 1.00 12.42 C ATOM 208 CG LYS A 16 6.805 12.598 -4.186 1.00 44.42 C ATOM 209 CD LYS A 16 7.733 12.297 -3.020 1.00 31.24 C ATOM 210 CE LYS A 16 7.893 13.505 -2.110 1.00 30.02 C ATOM 211 NZ LYS A 16 6.827 13.563 -1.071 1.00 53.14 N ATOM 0 H LYS A 16 7.678 11.671 -6.460 1.00 10.11 H new ATOM 0 HA LYS A 16 7.482 9.802 -4.292 1.00 14.12 H new ATOM 0 HB2 LYS A 16 5.333 11.639 -5.405 1.00 12.42 H new ATOM 0 HB3 LYS A 16 5.449 10.996 -3.779 1.00 12.42 H new ATOM 0 HG2 LYS A 16 7.386 12.980 -5.025 1.00 44.42 H new ATOM 0 HG3 LYS A 16 6.103 13.382 -3.901 1.00 44.42 H new ATOM 0 HD2 LYS A 16 7.339 11.458 -2.447 1.00 31.24 H new ATOM 0 HD3 LYS A 16 8.709 11.994 -3.399 1.00 31.24 H new ATOM 0 HE2 LYS A 16 8.869 13.469 -1.627 1.00 30.02 H new ATOM 0 HE3 LYS A 16 7.867 14.416 -2.708 1.00 30.02 H new ATOM 0 HZ1 LYS A 16 6.972 14.400 -0.472 1.00 53.14 H new ATOM 0 HZ2 LYS A 16 5.896 13.623 -1.531 1.00 53.14 H new ATOM 0 HZ3 LYS A 16 6.868 12.706 -0.484 1.00 53.14 H new ATOM 221 N GLY A 17 5.716 9.327 -7.025 1.00 10.43 N ATOM 222 CA GLY A 17 4.904 8.347 -7.720 1.00 72.10 C ATOM 223 C GLY A 17 5.484 6.949 -7.638 1.00 24.43 C ATOM 224 O GLY A 17 4.756 5.979 -7.426 1.00 63.22 O ATOM 0 H GLY A 17 5.970 10.144 -7.580 1.00 10.43 H new ATOM 0 HA2 GLY A 17 3.900 8.346 -7.296 1.00 72.10 H new ATOM 0 HA3 GLY A 17 4.808 8.636 -8.767 1.00 72.10 H new ATOM 228 N ALA A 18 6.798 6.845 -7.804 1.00 44.44 N ATOM 229 CA ALA A 18 7.476 5.555 -7.747 1.00 13.15 C ATOM 230 C ALA A 18 7.230 4.866 -6.409 1.00 74.30 C ATOM 231 O ALA A 18 6.780 3.720 -6.364 1.00 44.02 O ATOM 232 CB ALA A 18 8.968 5.733 -7.985 1.00 65.33 C ATOM 0 H ALA A 18 7.415 7.638 -7.979 1.00 44.44 H new ATOM 0 HA ALA A 18 7.067 4.921 -8.534 1.00 13.15 H new ATOM 0 HB1 ALA A 18 9.462 4.762 -7.940 1.00 65.33 H new ATOM 0 HB2 ALA A 18 9.129 6.177 -8.967 1.00 65.33 H new ATOM 0 HB3 ALA A 18 9.383 6.387 -7.219 1.00 65.33 H new ATOM 238 N ILE A 19 7.528 5.569 -5.322 1.00 1.43 N ATOM 239 CA ILE A 19 7.339 5.023 -3.984 1.00 0.34 C ATOM 240 C ILE A 19 5.927 4.476 -3.809 1.00 32.34 C ATOM 241 O ILE A 19 5.739 3.356 -3.332 1.00 25.15 O ATOM 242 CB ILE A 19 7.604 6.085 -2.900 1.00 14.14 C ATOM 243 CG1 ILE A 19 9.031 6.623 -3.019 1.00 63.24 C ATOM 244 CG2 ILE A 19 7.365 5.501 -1.516 1.00 64.34 C ATOM 245 CD1 ILE A 19 9.128 8.123 -2.853 1.00 54.33 C ATOM 0 H ILE A 19 7.901 6.518 -5.342 1.00 1.43 H new ATOM 0 HA ILE A 19 8.058 4.212 -3.869 1.00 0.34 H new ATOM 0 HB ILE A 19 6.911 6.913 -3.047 1.00 14.14 H new ATOM 0 HG12 ILE A 19 9.656 6.141 -2.267 1.00 63.24 H new ATOM 0 HG13 ILE A 19 9.435 6.347 -3.993 1.00 63.24 H new ATOM 0 HG21 ILE A 19 7.556 6.264 -0.761 1.00 64.34 H new ATOM 0 HG22 ILE A 19 6.332 5.164 -1.437 1.00 64.34 H new ATOM 0 HG23 ILE A 19 8.036 4.657 -1.357 1.00 64.34 H new ATOM 0 HD11 ILE A 19 10.168 8.433 -2.949 1.00 54.33 H new ATOM 0 HD12 ILE A 19 8.530 8.613 -3.621 1.00 54.33 H new ATOM 0 HD13 ILE A 19 8.755 8.405 -1.868 1.00 54.33 H new ATOM 256 N ILE A 20 4.936 5.271 -4.199 1.00 24.23 N ATOM 257 CA ILE A 20 3.541 4.865 -4.087 1.00 64.11 C ATOM 258 C ILE A 20 3.287 3.561 -4.835 1.00 55.14 C ATOM 259 O ILE A 20 2.781 2.595 -4.268 1.00 21.44 O ATOM 260 CB ILE A 20 2.593 5.950 -4.631 1.00 71.10 C ATOM 261 CG1 ILE A 20 2.786 7.259 -3.864 1.00 23.03 C ATOM 262 CG2 ILE A 20 1.148 5.484 -4.539 1.00 53.42 C ATOM 263 CD1 ILE A 20 2.755 8.487 -4.746 1.00 34.33 C ATOM 0 H ILE A 20 5.074 6.201 -4.596 1.00 24.23 H new ATOM 0 HA ILE A 20 3.339 4.718 -3.026 1.00 64.11 H new ATOM 0 HB ILE A 20 2.832 6.128 -5.680 1.00 71.10 H new ATOM 0 HG12 ILE A 20 2.006 7.345 -3.107 1.00 23.03 H new ATOM 0 HG13 ILE A 20 3.739 7.224 -3.337 1.00 23.03 H new ATOM 0 HG21 ILE A 20 0.490 6.261 -4.927 1.00 53.42 H new ATOM 0 HG22 ILE A 20 1.021 4.574 -5.126 1.00 53.42 H new ATOM 0 HG23 ILE A 20 0.896 5.282 -3.498 1.00 53.42 H new ATOM 0 HD11 ILE A 20 2.898 9.378 -4.134 1.00 34.33 H new ATOM 0 HD12 ILE A 20 3.552 8.423 -5.487 1.00 34.33 H new ATOM 0 HD13 ILE A 20 1.792 8.546 -5.254 1.00 34.33 H new ATOM 274 N GLY A 21 3.644 3.541 -6.117 1.00 2.54 N ATOM 275 CA GLY A 21 3.448 2.350 -6.923 1.00 4.51 C ATOM 276 C GLY A 21 4.213 1.156 -6.387 1.00 52.42 C ATOM 277 O GLY A 21 3.746 0.020 -6.477 1.00 21.14 O ATOM 0 H GLY A 21 4.065 4.328 -6.611 1.00 2.54 H new ATOM 0 HA2 GLY A 21 2.385 2.110 -6.960 1.00 4.51 H new ATOM 0 HA3 GLY A 21 3.765 2.551 -7.946 1.00 4.51 H new ATOM 281 N LEU A 22 5.392 1.411 -5.831 1.00 11.44 N ATOM 282 CA LEU A 22 6.224 0.347 -5.281 1.00 3.54 C ATOM 283 C LEU A 22 5.524 -0.345 -4.115 1.00 53.23 C ATOM 284 O LEU A 22 5.368 -1.565 -4.109 1.00 50.03 O ATOM 285 CB LEU A 22 7.569 0.913 -4.819 1.00 71.54 C ATOM 286 CG LEU A 22 8.764 -0.039 -4.912 1.00 11.44 C ATOM 287 CD1 LEU A 22 10.064 0.715 -4.678 1.00 4.12 C ATOM 288 CD2 LEU A 22 8.618 -1.178 -3.913 1.00 13.41 C ATOM 0 H LEU A 22 5.793 2.345 -5.749 1.00 11.44 H new ATOM 0 HA LEU A 22 6.396 -0.389 -6.066 1.00 3.54 H new ATOM 0 HB2 LEU A 22 7.790 1.801 -5.411 1.00 71.54 H new ATOM 0 HB3 LEU A 22 7.468 1.238 -3.783 1.00 71.54 H new ATOM 0 HG LEU A 22 8.789 -0.464 -5.915 1.00 11.44 H new ATOM 0 HD11 LEU A 22 10.903 0.023 -4.748 1.00 4.12 H new ATOM 0 HD12 LEU A 22 10.173 1.495 -5.432 1.00 4.12 H new ATOM 0 HD13 LEU A 22 10.048 1.168 -3.687 1.00 4.12 H new ATOM 0 HD21 LEU A 22 9.477 -1.845 -3.993 1.00 13.41 H new ATOM 0 HD22 LEU A 22 8.567 -0.772 -2.903 1.00 13.41 H new ATOM 0 HD23 LEU A 22 7.705 -1.734 -4.126 1.00 13.41 H new ATOM 299 N MET A 23 5.102 0.444 -3.133 1.00 72.51 N ATOM 300 CA MET A 23 4.414 -0.093 -1.965 1.00 32.12 C ATOM 301 C MET A 23 3.054 -0.666 -2.350 1.00 21.31 C ATOM 302 O MET A 23 2.748 -1.820 -2.049 1.00 72.12 O ATOM 303 CB MET A 23 4.240 0.996 -0.904 1.00 31.20 C ATOM 304 CG MET A 23 5.540 1.399 -0.228 1.00 52.51 C ATOM 305 SD MET A 23 5.298 2.638 1.060 1.00 43.40 S ATOM 306 CE MET A 23 5.165 1.597 2.510 1.00 64.21 C ATOM 0 H MET A 23 5.224 1.457 -3.123 1.00 72.51 H new ATOM 0 HA MET A 23 5.024 -0.898 -1.554 1.00 32.12 H new ATOM 0 HB2 MET A 23 3.793 1.876 -1.368 1.00 31.20 H new ATOM 0 HB3 MET A 23 3.540 0.645 -0.146 1.00 31.20 H new ATOM 0 HG2 MET A 23 6.008 0.516 0.206 1.00 52.51 H new ATOM 0 HG3 MET A 23 6.229 1.789 -0.977 1.00 52.51 H new ATOM 0 HE1 MET A 23 5.012 2.219 3.392 1.00 64.21 H new ATOM 0 HE2 MET A 23 4.320 0.918 2.394 1.00 64.21 H new ATOM 0 HE3 MET A 23 6.081 1.019 2.628 1.00 64.21 H new ATOM 314 N VAL A 24 2.241 0.146 -3.017 1.00 3.21 N ATOM 315 CA VAL A 24 0.914 -0.280 -3.444 1.00 71.15 C ATOM 316 C VAL A 24 0.992 -1.532 -4.311 1.00 62.10 C ATOM 317 O VAL A 24 0.095 -2.373 -4.286 1.00 60.35 O ATOM 318 CB VAL A 24 0.193 0.831 -4.230 1.00 73.11 C ATOM 319 CG1 VAL A 24 -1.174 0.354 -4.697 1.00 23.50 C ATOM 320 CG2 VAL A 24 0.068 2.087 -3.381 1.00 22.32 C ATOM 0 H VAL A 24 2.479 1.104 -3.274 1.00 3.21 H new ATOM 0 HA VAL A 24 0.347 -0.501 -2.540 1.00 71.15 H new ATOM 0 HB VAL A 24 0.786 1.073 -5.112 1.00 73.11 H new ATOM 0 HG11 VAL A 24 -1.668 1.152 -5.250 1.00 23.50 H new ATOM 0 HG12 VAL A 24 -1.055 -0.516 -5.343 1.00 23.50 H new ATOM 0 HG13 VAL A 24 -1.780 0.083 -3.832 1.00 23.50 H new ATOM 0 HG21 VAL A 24 -0.444 2.862 -3.951 1.00 22.32 H new ATOM 0 HG22 VAL A 24 -0.503 1.862 -2.480 1.00 22.32 H new ATOM 0 HG23 VAL A 24 1.062 2.438 -3.102 1.00 22.32 H new ATOM 330 N GLY A 25 2.073 -1.648 -5.077 1.00 73.13 N ATOM 331 CA GLY A 25 2.249 -2.801 -5.942 1.00 14.52 C ATOM 332 C GLY A 25 2.576 -4.062 -5.167 1.00 51.32 C ATOM 333 O GLY A 25 1.999 -5.119 -5.415 1.00 43.53 O ATOM 0 H GLY A 25 2.829 -0.965 -5.114 1.00 73.13 H new ATOM 0 HA2 GLY A 25 1.339 -2.960 -6.521 1.00 14.52 H new ATOM 0 HA3 GLY A 25 3.049 -2.598 -6.654 1.00 14.52 H new ATOM 337 N GLY A 26 3.509 -3.950 -4.225 1.00 54.23 N ATOM 338 CA GLY A 26 3.898 -5.098 -3.428 1.00 71.50 C ATOM 339 C GLY A 26 2.757 -5.632 -2.585 1.00 61.13 C ATOM 340 O GLY A 26 2.579 -6.844 -2.463 1.00 64.05 O ATOM 0 H GLY A 26 4.001 -3.085 -4.001 1.00 54.23 H new ATOM 0 HA2 GLY A 26 4.260 -5.888 -4.086 1.00 71.50 H new ATOM 0 HA3 GLY A 26 4.727 -4.821 -2.777 1.00 71.50 H new ATOM 344 N VAL A 27 1.982 -4.726 -1.998 1.00 54.43 N ATOM 345 CA VAL A 27 0.852 -5.112 -1.162 1.00 12.41 C ATOM 346 C VAL A 27 -0.267 -5.724 -1.997 1.00 32.11 C ATOM 347 O VAL A 27 -0.722 -6.835 -1.726 1.00 20.30 O ATOM 348 CB VAL A 27 0.294 -3.908 -0.380 1.00 51.43 C ATOM 349 CG1 VAL A 27 -0.733 -4.365 0.644 1.00 12.14 C ATOM 350 CG2 VAL A 27 1.423 -3.139 0.290 1.00 21.41 C ATOM 0 H VAL A 27 2.116 -3.719 -2.086 1.00 54.43 H new ATOM 0 HA VAL A 27 1.222 -5.855 -0.455 1.00 12.41 H new ATOM 0 HB VAL A 27 -0.203 -3.239 -1.083 1.00 51.43 H new ATOM 0 HG11 VAL A 27 -1.116 -3.500 1.186 1.00 12.14 H new ATOM 0 HG12 VAL A 27 -1.556 -4.867 0.135 1.00 12.14 H new ATOM 0 HG13 VAL A 27 -0.265 -5.055 1.346 1.00 12.14 H new ATOM 0 HG21 VAL A 27 1.011 -2.292 0.838 1.00 21.41 H new ATOM 0 HG22 VAL A 27 1.951 -3.796 0.981 1.00 21.41 H new ATOM 0 HG23 VAL A 27 2.117 -2.777 -0.469 1.00 21.41 H new ATOM 360 N VAL A 28 -0.706 -4.992 -3.015 1.00 53.05 N ATOM 361 CA VAL A 28 -1.771 -5.463 -3.893 1.00 71.20 C ATOM 362 C VAL A 28 -1.417 -6.810 -4.513 1.00 13.24 C ATOM 363 O VAL A 28 -2.196 -7.761 -4.443 1.00 24.23 O ATOM 364 CB VAL A 28 -2.060 -4.452 -5.019 1.00 43.32 C ATOM 365 CG1 VAL A 28 -2.987 -5.061 -6.058 1.00 52.45 C ATOM 366 CG2 VAL A 28 -2.653 -3.173 -4.447 1.00 20.23 C ATOM 0 H VAL A 28 -0.341 -4.070 -3.253 1.00 53.05 H new ATOM 0 HA VAL A 28 -2.663 -5.573 -3.276 1.00 71.20 H new ATOM 0 HB VAL A 28 -1.119 -4.201 -5.509 1.00 43.32 H new ATOM 0 HG11 VAL A 28 -3.180 -4.332 -6.845 1.00 52.45 H new ATOM 0 HG12 VAL A 28 -2.519 -5.946 -6.489 1.00 52.45 H new ATOM 0 HG13 VAL A 28 -3.928 -5.342 -5.586 1.00 52.45 H new ATOM 0 HG21 VAL A 28 -2.851 -2.470 -5.256 1.00 20.23 H new ATOM 0 HG22 VAL A 28 -3.585 -3.403 -3.930 1.00 20.23 H new ATOM 0 HG23 VAL A 28 -1.949 -2.728 -3.744 1.00 20.23 H new ATOM 376 N ILE A 29 -0.237 -6.883 -5.119 1.00 63.05 N ATOM 377 CA ILE A 29 0.221 -8.115 -5.751 1.00 70.32 C ATOM 378 C ILE A 29 0.292 -9.256 -4.742 1.00 61.50 C ATOM 379 O ILE A 29 -0.318 -10.307 -4.935 1.00 63.12 O ATOM 380 CB ILE A 29 1.606 -7.933 -6.401 1.00 75.45 C ATOM 381 CG1 ILE A 29 1.509 -6.985 -7.598 1.00 43.52 C ATOM 382 CG2 ILE A 29 2.170 -9.279 -6.829 1.00 63.33 C ATOM 383 CD1 ILE A 29 0.682 -7.534 -8.739 1.00 14.22 C ATOM 0 H ILE A 29 0.419 -6.105 -5.186 1.00 63.05 H new ATOM 0 HA ILE A 29 -0.505 -8.362 -6.525 1.00 70.32 H new ATOM 0 HB ILE A 29 2.282 -7.494 -5.667 1.00 75.45 H new ATOM 0 HG12 ILE A 29 1.077 -6.040 -7.269 1.00 43.52 H new ATOM 0 HG13 ILE A 29 2.514 -6.767 -7.960 1.00 43.52 H new ATOM 0 HG21 ILE A 29 3.149 -9.135 -7.287 1.00 63.33 H new ATOM 0 HG22 ILE A 29 2.269 -9.926 -5.957 1.00 63.33 H new ATOM 0 HG23 ILE A 29 1.497 -9.743 -7.550 1.00 63.33 H new ATOM 0 HD11 ILE A 29 0.657 -6.809 -9.552 1.00 14.22 H new ATOM 0 HD12 ILE A 29 1.126 -8.464 -9.095 1.00 14.22 H new ATOM 0 HD13 ILE A 29 -0.334 -7.726 -8.393 1.00 14.22 H new ATOM 394 N ALA A 30 1.040 -9.041 -3.665 1.00 23.53 N ATOM 395 CA ALA A 30 1.187 -10.049 -2.623 1.00 60.35 C ATOM 396 C ALA A 30 -0.172 -10.517 -2.114 1.00 51.22 C ATOM 397 O ALA A 30 -0.443 -11.716 -2.045 1.00 32.42 O ATOM 398 CB ALA A 30 2.024 -9.504 -1.475 1.00 21.22 C ATOM 0 H ALA A 30 1.554 -8.177 -3.491 1.00 23.53 H new ATOM 0 HA ALA A 30 1.699 -10.909 -3.055 1.00 60.35 H new ATOM 0 HB1 ALA A 30 2.125 -10.268 -0.704 1.00 21.22 H new ATOM 0 HB2 ALA A 30 3.012 -9.228 -1.844 1.00 21.22 H new ATOM 0 HB3 ALA A 30 1.535 -8.626 -1.053 1.00 21.22 H new ATOM 404 N THR A 31 -1.025 -9.561 -1.757 1.00 74.03 N ATOM 405 CA THR A 31 -2.356 -9.875 -1.253 1.00 72.32 C ATOM 406 C THR A 31 -3.101 -10.803 -2.206 1.00 0.33 C ATOM 407 O THR A 31 -3.597 -11.855 -1.803 1.00 14.15 O ATOM 408 CB THR A 31 -3.192 -8.599 -1.040 1.00 12.31 C ATOM 409 OG1 THR A 31 -2.539 -7.737 -0.101 1.00 32.51 O ATOM 410 CG2 THR A 31 -4.586 -8.941 -0.538 1.00 52.24 C ATOM 0 H THR A 31 -0.817 -8.564 -1.808 1.00 74.03 H new ATOM 0 HA THR A 31 -2.220 -10.376 -0.295 1.00 72.32 H new ATOM 0 HB THR A 31 -3.285 -8.088 -1.999 1.00 12.31 H new ATOM 0 HG1 THR A 31 -1.700 -7.409 -0.487 1.00 32.51 H new ATOM 0 HG21 THR A 31 -5.157 -8.023 -0.395 1.00 52.24 H new ATOM 0 HG22 THR A 31 -5.091 -9.573 -1.269 1.00 52.24 H new ATOM 0 HG23 THR A 31 -4.511 -9.473 0.411 1.00 52.24 H new ATOM 418 N VAL A 32 -3.175 -10.407 -3.473 1.00 52.24 N ATOM 419 CA VAL A 32 -3.858 -11.206 -4.485 1.00 3.34 C ATOM 420 C VAL A 32 -3.300 -12.623 -4.536 1.00 23.25 C ATOM 421 O VAL A 32 -4.051 -13.598 -4.498 1.00 32.12 O ATOM 422 CB VAL A 32 -3.735 -10.566 -5.881 1.00 63.54 C ATOM 423 CG1 VAL A 32 -4.443 -11.419 -6.922 1.00 13.23 C ATOM 424 CG2 VAL A 32 -4.291 -9.150 -5.869 1.00 73.24 C ATOM 0 H VAL A 32 -2.771 -9.538 -3.823 1.00 52.24 H new ATOM 0 HA VAL A 32 -4.910 -11.244 -4.202 1.00 3.34 H new ATOM 0 HB VAL A 32 -2.679 -10.513 -6.147 1.00 63.54 H new ATOM 0 HG11 VAL A 32 -4.346 -10.952 -7.902 1.00 13.23 H new ATOM 0 HG12 VAL A 32 -3.993 -12.411 -6.947 1.00 13.23 H new ATOM 0 HG13 VAL A 32 -5.499 -11.506 -6.664 1.00 13.23 H new ATOM 0 HG21 VAL A 32 -4.196 -8.713 -6.863 1.00 73.24 H new ATOM 0 HG22 VAL A 32 -5.342 -9.174 -5.582 1.00 73.24 H new ATOM 0 HG23 VAL A 32 -3.734 -8.546 -5.153 1.00 73.24 H new ATOM 434 N ILE A 33 -1.978 -12.730 -4.620 1.00 30.43 N ATOM 435 CA ILE A 33 -1.319 -14.028 -4.674 1.00 61.41 C ATOM 436 C ILE A 33 -1.681 -14.880 -3.462 1.00 22.23 C ATOM 437 O ILE A 33 -1.920 -16.081 -3.582 1.00 31.43 O ATOM 438 CB ILE A 33 0.212 -13.880 -4.744 1.00 63.14 C ATOM 439 CG1 ILE A 33 0.612 -13.070 -5.979 1.00 32.13 C ATOM 440 CG2 ILE A 33 0.877 -15.249 -4.766 1.00 32.25 C ATOM 441 CD1 ILE A 33 1.992 -12.459 -5.879 1.00 12.52 C ATOM 0 H ILE A 33 -1.343 -11.933 -4.652 1.00 30.43 H new ATOM 0 HA ILE A 33 -1.670 -14.522 -5.580 1.00 61.41 H new ATOM 0 HB ILE A 33 0.551 -13.347 -3.856 1.00 63.14 H new ATOM 0 HG12 ILE A 33 0.572 -13.716 -6.856 1.00 32.13 H new ATOM 0 HG13 ILE A 33 -0.118 -12.276 -6.135 1.00 32.13 H new ATOM 0 HG21 ILE A 33 1.959 -15.127 -4.816 1.00 32.25 H new ATOM 0 HG22 ILE A 33 0.615 -15.796 -3.860 1.00 32.25 H new ATOM 0 HG23 ILE A 33 0.534 -15.806 -5.638 1.00 32.25 H new ATOM 0 HD11 ILE A 33 2.209 -11.899 -6.789 1.00 12.52 H new ATOM 0 HD12 ILE A 33 2.031 -11.787 -5.022 1.00 12.52 H new ATOM 0 HD13 ILE A 33 2.732 -13.250 -5.754 1.00 12.52 H new ATOM 452 N VAL A 34 -1.721 -14.248 -2.292 1.00 61.22 N ATOM 453 CA VAL A 34 -2.057 -14.946 -1.057 1.00 12.52 C ATOM 454 C VAL A 34 -3.466 -15.527 -1.120 1.00 4.42 C ATOM 455 O VAL A 34 -3.673 -16.708 -0.842 1.00 12.31 O ATOM 456 CB VAL A 34 -1.952 -14.011 0.163 1.00 53.04 C ATOM 457 CG1 VAL A 34 -2.348 -14.745 1.435 1.00 42.44 C ATOM 458 CG2 VAL A 34 -0.546 -13.444 0.280 1.00 43.44 C ATOM 0 H VAL A 34 -1.525 -13.254 -2.174 1.00 61.22 H new ATOM 0 HA VAL A 34 -1.338 -15.757 -0.946 1.00 12.52 H new ATOM 0 HB VAL A 34 -2.643 -13.180 0.022 1.00 53.04 H new ATOM 0 HG11 VAL A 34 -2.267 -14.068 2.286 1.00 42.44 H new ATOM 0 HG12 VAL A 34 -3.376 -15.097 1.347 1.00 42.44 H new ATOM 0 HG13 VAL A 34 -1.685 -15.597 1.585 1.00 42.44 H new ATOM 0 HG21 VAL A 34 -0.490 -12.786 1.147 1.00 43.44 H new ATOM 0 HG22 VAL A 34 0.167 -14.260 0.397 1.00 43.44 H new ATOM 0 HG23 VAL A 34 -0.305 -12.879 -0.621 1.00 43.44 H new ATOM 468 N ILE A 35 -4.429 -14.689 -1.486 1.00 2.42 N ATOM 469 CA ILE A 35 -5.817 -15.119 -1.586 1.00 54.01 C ATOM 470 C ILE A 35 -5.967 -16.266 -2.580 1.00 3.33 C ATOM 471 O ILE A 35 -6.683 -17.235 -2.324 1.00 52.43 O ATOM 472 CB ILE A 35 -6.738 -13.960 -2.015 1.00 43.53 C ATOM 473 CG1 ILE A 35 -6.647 -12.811 -1.010 1.00 4.24 C ATOM 474 CG2 ILE A 35 -8.173 -14.444 -2.147 1.00 12.11 C ATOM 475 CD1 ILE A 35 -7.151 -13.172 0.370 1.00 71.34 C ATOM 0 H ILE A 35 -4.273 -13.708 -1.718 1.00 2.42 H new ATOM 0 HA ILE A 35 -6.113 -15.459 -0.594 1.00 54.01 H new ATOM 0 HB ILE A 35 -6.409 -13.594 -2.988 1.00 43.53 H new ATOM 0 HG12 ILE A 35 -5.609 -12.486 -0.935 1.00 4.24 H new ATOM 0 HG13 ILE A 35 -7.220 -11.964 -1.387 1.00 4.24 H new ATOM 0 HG21 ILE A 35 -8.811 -13.614 -2.451 1.00 12.11 H new ATOM 0 HG22 ILE A 35 -8.223 -15.233 -2.897 1.00 12.11 H new ATOM 0 HG23 ILE A 35 -8.516 -14.833 -1.188 1.00 12.11 H new ATOM 0 HD11 ILE A 35 -7.056 -12.309 1.029 1.00 71.34 H new ATOM 0 HD12 ILE A 35 -8.198 -13.468 0.309 1.00 71.34 H new ATOM 0 HD13 ILE A 35 -6.563 -13.999 0.767 1.00 71.34 H new ATOM 486 N THR A 36 -5.285 -16.151 -3.716 1.00 24.13 N ATOM 487 CA THR A 36 -5.341 -17.177 -4.748 1.00 64.44 C ATOM 488 C THR A 36 -4.690 -18.472 -4.273 1.00 23.14 C ATOM 489 O THR A 36 -5.284 -19.547 -4.365 1.00 2.05 O ATOM 490 CB THR A 36 -4.645 -16.712 -6.042 1.00 30.23 C ATOM 491 OG1 THR A 36 -3.328 -16.237 -5.745 1.00 41.32 O ATOM 492 CG2 THR A 36 -5.447 -15.611 -6.720 1.00 54.35 C ATOM 0 H THR A 36 -4.687 -15.356 -3.944 1.00 24.13 H new ATOM 0 HA THR A 36 -6.396 -17.358 -4.956 1.00 64.44 H new ATOM 0 HB THR A 36 -4.579 -17.562 -6.721 1.00 30.23 H new ATOM 0 HG1 THR A 36 -3.223 -16.151 -4.775 1.00 41.32 H new ATOM 0 HG21 THR A 36 -4.937 -15.298 -7.631 1.00 54.35 H new ATOM 0 HG22 THR A 36 -6.440 -15.985 -6.970 1.00 54.35 H new ATOM 0 HG23 THR A 36 -5.539 -14.760 -6.045 1.00 54.35 H new ATOM 500 N LEU A 37 -3.468 -18.361 -3.764 1.00 72.50 N ATOM 501 CA LEU A 37 -2.736 -19.524 -3.273 1.00 21.45 C ATOM 502 C LEU A 37 -3.554 -20.282 -2.231 1.00 21.23 C ATOM 503 O LEU A 37 -3.561 -21.512 -2.207 1.00 70.43 O ATOM 504 CB LEU A 37 -1.398 -19.091 -2.670 1.00 72.44 C ATOM 505 CG LEU A 37 -0.452 -20.220 -2.259 1.00 11.25 C ATOM 506 CD1 LEU A 37 -0.288 -21.219 -3.392 1.00 74.13 C ATOM 507 CD2 LEU A 37 0.899 -19.657 -1.842 1.00 42.23 C ATOM 0 H LEU A 37 -2.963 -17.479 -3.680 1.00 72.50 H new ATOM 0 HA LEU A 37 -2.550 -20.189 -4.117 1.00 21.45 H new ATOM 0 HB2 LEU A 37 -0.884 -18.458 -3.393 1.00 72.44 H new ATOM 0 HB3 LEU A 37 -1.599 -18.475 -1.794 1.00 72.44 H new ATOM 0 HG LEU A 37 -0.887 -20.740 -1.405 1.00 11.25 H new ATOM 0 HD11 LEU A 37 0.389 -22.015 -3.080 1.00 74.13 H new ATOM 0 HD12 LEU A 37 -1.259 -21.646 -3.644 1.00 74.13 H new ATOM 0 HD13 LEU A 37 0.124 -20.714 -4.266 1.00 74.13 H new ATOM 0 HD21 LEU A 37 1.560 -20.474 -1.553 1.00 42.23 H new ATOM 0 HD22 LEU A 37 1.340 -19.112 -2.677 1.00 42.23 H new ATOM 0 HD23 LEU A 37 0.766 -18.981 -0.997 1.00 42.23 H new ATOM 518 N VAL A 38 -4.244 -19.538 -1.372 1.00 71.22 N ATOM 519 CA VAL A 38 -5.069 -20.139 -0.330 1.00 41.04 C ATOM 520 C VAL A 38 -6.362 -20.701 -0.910 1.00 61.50 C ATOM 521 O VAL A 38 -6.686 -21.872 -0.710 1.00 24.21 O ATOM 522 CB VAL A 38 -5.413 -19.120 0.771 1.00 63.20 C ATOM 523 CG1 VAL A 38 -6.305 -19.754 1.827 1.00 64.44 C ATOM 524 CG2 VAL A 38 -4.143 -18.565 1.399 1.00 44.32 C ATOM 0 H VAL A 38 -4.248 -18.518 -1.377 1.00 71.22 H new ATOM 0 HA VAL A 38 -4.487 -20.951 0.107 1.00 41.04 H new ATOM 0 HB VAL A 38 -5.959 -18.293 0.317 1.00 63.20 H new ATOM 0 HG11 VAL A 38 -6.537 -19.018 2.597 1.00 64.44 H new ATOM 0 HG12 VAL A 38 -7.229 -20.098 1.363 1.00 64.44 H new ATOM 0 HG13 VAL A 38 -5.788 -20.601 2.279 1.00 64.44 H new ATOM 0 HG21 VAL A 38 -4.405 -17.846 2.175 1.00 44.32 H new ATOM 0 HG22 VAL A 38 -3.568 -19.380 1.838 1.00 44.32 H new ATOM 0 HG23 VAL A 38 -3.545 -18.071 0.634 1.00 44.32 H new ATOM 534 N MET A 39 -7.098 -19.859 -1.628 1.00 64.31 N ATOM 535 CA MET A 39 -8.356 -20.274 -2.238 1.00 3.55 C ATOM 536 C MET A 39 -8.147 -21.476 -3.153 1.00 22.11 C ATOM 537 O MET A 39 -9.064 -22.269 -3.372 1.00 10.14 O ATOM 538 CB MET A 39 -8.969 -19.117 -3.030 1.00 43.51 C ATOM 539 CG MET A 39 -8.464 -19.026 -4.461 1.00 31.14 C ATOM 540 SD MET A 39 -9.551 -19.859 -5.635 1.00 24.34 S ATOM 541 CE MET A 39 -10.746 -18.567 -5.965 1.00 52.41 C ATOM 0 H MET A 39 -6.845 -18.886 -1.802 1.00 64.31 H new ATOM 0 HA MET A 39 -9.040 -20.562 -1.440 1.00 3.55 H new ATOM 0 HB2 MET A 39 -10.053 -19.230 -3.042 1.00 43.51 H new ATOM 0 HB3 MET A 39 -8.752 -18.180 -2.516 1.00 43.51 H new ATOM 0 HG2 MET A 39 -8.367 -17.977 -4.742 1.00 31.14 H new ATOM 0 HG3 MET A 39 -7.468 -19.465 -4.519 1.00 31.14 H new ATOM 0 HE1 MET A 39 -11.487 -18.930 -6.677 1.00 52.41 H new ATOM 0 HE2 MET A 39 -11.242 -18.284 -5.036 1.00 52.41 H new ATOM 0 HE3 MET A 39 -10.237 -17.699 -6.383 1.00 52.41 H new ATOM 549 N LEU A 40 -6.936 -21.607 -3.683 1.00 62.20 N ATOM 550 CA LEU A 40 -6.607 -22.714 -4.574 1.00 53.13 C ATOM 551 C LEU A 40 -7.015 -24.049 -3.958 1.00 44.32 C ATOM 552 O LEU A 40 -7.665 -24.871 -4.604 1.00 13.15 O ATOM 553 CB LEU A 40 -5.109 -22.717 -4.884 1.00 62.53 C ATOM 554 CG LEU A 40 -4.692 -23.423 -6.175 1.00 12.33 C ATOM 555 CD1 LEU A 40 -4.978 -24.914 -6.085 1.00 12.31 C ATOM 556 CD2 LEU A 40 -5.406 -22.811 -7.371 1.00 34.43 C ATOM 0 H LEU A 40 -6.166 -20.961 -3.511 1.00 62.20 H new ATOM 0 HA LEU A 40 -7.163 -22.579 -5.502 1.00 53.13 H new ATOM 0 HB2 LEU A 40 -4.766 -21.683 -4.932 1.00 62.53 H new ATOM 0 HB3 LEU A 40 -4.587 -23.188 -4.051 1.00 62.53 H new ATOM 0 HG LEU A 40 -3.619 -23.289 -6.310 1.00 12.33 H new ATOM 0 HD11 LEU A 40 -4.675 -25.399 -7.013 1.00 12.31 H new ATOM 0 HD12 LEU A 40 -4.420 -25.342 -5.252 1.00 12.31 H new ATOM 0 HD13 LEU A 40 -6.045 -25.071 -5.925 1.00 12.31 H new ATOM 0 HD21 LEU A 40 -5.098 -23.325 -8.281 1.00 34.43 H new ATOM 0 HD22 LEU A 40 -6.484 -22.914 -7.243 1.00 34.43 H new ATOM 0 HD23 LEU A 40 -5.149 -21.754 -7.447 1.00 34.43 H new