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 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.41) USER MOD Single : A 4 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.348) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.109 K(o=-0.11,f=-2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= -2.58! (180deg=-2.58!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 67:sc= 1.33 USER MOD Single : A 36 THR OG1 : rot -11:sc= -0.555 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -0.129 20.004 3.758 1.00 65.04 N ATOM 9 CA SER A 2 -0.049 21.360 3.228 1.00 51.24 C ATOM 10 C SER A 2 0.134 21.341 1.713 1.00 50.13 C ATOM 11 O SER A 2 0.222 20.276 1.101 1.00 4.12 O ATOM 12 CB SER A 2 1.106 22.120 3.883 1.00 32.11 C ATOM 13 OG SER A 2 2.316 21.916 3.176 1.00 63.21 O ATOM 0 HA SER A 2 -0.985 21.869 3.458 1.00 51.24 H new ATOM 0 HB2 SER A 2 0.874 23.185 3.914 1.00 32.11 H new ATOM 0 HB3 SER A 2 1.224 21.790 4.915 1.00 32.11 H new ATOM 0 HG SER A 2 3.038 22.413 3.614 1.00 63.21 H new ATOM 18 N GLN A 3 0.191 22.526 1.115 1.00 13.12 N ATOM 19 CA GLN A 3 0.363 22.646 -0.328 1.00 12.44 C ATOM 20 C GLN A 3 1.713 23.269 -0.665 1.00 42.03 C ATOM 21 O GLN A 3 1.787 24.278 -1.368 1.00 32.31 O ATOM 22 CB GLN A 3 -0.764 23.488 -0.929 1.00 22.23 C ATOM 23 CG GLN A 3 -2.147 22.892 -0.720 1.00 31.32 C ATOM 24 CD GLN A 3 -2.747 23.266 0.621 1.00 52.12 C ATOM 25 OE1 GLN A 3 -2.899 24.445 0.938 1.00 13.45 O ATOM 26 NE2 GLN A 3 -3.093 22.260 1.416 1.00 34.04 N ATOM 0 H GLN A 3 0.121 23.417 1.607 1.00 13.12 H new ATOM 0 HA GLN A 3 0.328 21.645 -0.757 1.00 12.44 H new ATOM 0 HB2 GLN A 3 -0.737 24.484 -0.488 1.00 22.23 H new ATOM 0 HB3 GLN A 3 -0.587 23.607 -1.998 1.00 22.23 H new ATOM 0 HG2 GLN A 3 -2.809 23.231 -1.517 1.00 31.32 H new ATOM 0 HG3 GLN A 3 -2.086 21.806 -0.796 1.00 31.32 H new ATOM 0 HE21 GLN A 3 -2.949 21.297 1.112 1.00 34.04 H new ATOM 0 HE22 GLN A 3 -3.503 22.450 2.330 1.00 34.04 H new ATOM 33 N LYS A 4 2.782 22.662 -0.160 1.00 31.25 N ATOM 34 CA LYS A 4 4.132 23.156 -0.407 1.00 33.40 C ATOM 35 C LYS A 4 4.984 22.089 -1.087 1.00 24.11 C ATOM 36 O LYS A 4 5.825 22.399 -1.933 1.00 61.32 O ATOM 37 CB LYS A 4 4.788 23.587 0.906 1.00 13.43 C ATOM 38 CG LYS A 4 4.092 24.758 1.578 1.00 74.40 C ATOM 39 CD LYS A 4 5.015 25.475 2.548 1.00 44.32 C ATOM 40 CE LYS A 4 5.017 24.808 3.914 1.00 12.11 C ATOM 41 NZ LYS A 4 6.006 23.698 3.988 1.00 62.24 N ATOM 0 H LYS A 4 2.740 21.826 0.423 1.00 31.25 H new ATOM 0 HA LYS A 4 4.062 24.018 -1.070 1.00 33.40 H new ATOM 0 HB2 LYS A 4 4.800 22.740 1.592 1.00 13.43 H new ATOM 0 HB3 LYS A 4 5.827 23.855 0.713 1.00 13.43 H new ATOM 0 HG2 LYS A 4 3.745 25.459 0.820 1.00 74.40 H new ATOM 0 HG3 LYS A 4 3.210 24.401 2.110 1.00 74.40 H new ATOM 0 HD2 LYS A 4 6.028 25.486 2.146 1.00 44.32 H new ATOM 0 HD3 LYS A 4 4.701 26.514 2.650 1.00 44.32 H new ATOM 0 HE2 LYS A 4 5.245 25.549 4.680 1.00 12.11 H new ATOM 0 HE3 LYS A 4 4.021 24.422 4.131 1.00 12.11 H new ATOM 0 HZ1 LYS A 4 6.277 23.540 4.980 1.00 62.24 H new ATOM 0 HZ2 LYS A 4 5.583 22.830 3.603 1.00 62.24 H new ATOM 0 HZ3 LYS A 4 6.850 23.947 3.434 1.00 62.24 H new ATOM 51 N LEU A 5 4.763 20.834 -0.713 1.00 74.12 N ATOM 52 CA LEU A 5 5.510 19.721 -1.289 1.00 64.41 C ATOM 53 C LEU A 5 5.025 19.413 -2.702 1.00 64.02 C ATOM 54 O LEU A 5 5.824 19.129 -3.596 1.00 23.13 O ATOM 55 CB LEU A 5 5.371 18.478 -0.408 1.00 43.42 C ATOM 56 CG LEU A 5 6.538 17.491 -0.452 1.00 64.21 C ATOM 57 CD1 LEU A 5 6.485 16.548 0.741 1.00 50.42 C ATOM 58 CD2 LEU A 5 6.524 16.706 -1.756 1.00 2.10 C ATOM 0 H LEU A 5 4.073 20.561 -0.013 1.00 74.12 H new ATOM 0 HA LEU A 5 6.560 20.008 -1.340 1.00 64.41 H new ATOM 0 HB2 LEU A 5 5.234 18.802 0.624 1.00 43.42 H new ATOM 0 HB3 LEU A 5 4.463 17.950 -0.700 1.00 43.42 H new ATOM 0 HG LEU A 5 7.469 18.056 -0.401 1.00 64.21 H new ATOM 0 HD11 LEU A 5 7.323 15.853 0.693 1.00 50.42 H new ATOM 0 HD12 LEU A 5 6.545 17.125 1.664 1.00 50.42 H new ATOM 0 HD13 LEU A 5 5.549 15.990 0.722 1.00 50.42 H new ATOM 0 HD21 LEU A 5 7.362 16.009 -1.770 1.00 2.10 H new ATOM 0 HD22 LEU A 5 5.589 16.152 -1.837 1.00 2.10 H new ATOM 0 HD23 LEU A 5 6.612 17.395 -2.596 1.00 2.10 H new ATOM 69 N VAL A 6 3.713 19.472 -2.899 1.00 14.32 N ATOM 70 CA VAL A 6 3.122 19.204 -4.204 1.00 60.03 C ATOM 71 C VAL A 6 3.737 20.092 -5.280 1.00 25.43 C ATOM 72 O VAL A 6 4.026 19.636 -6.386 1.00 72.43 O ATOM 73 CB VAL A 6 1.597 19.420 -4.185 1.00 51.35 C ATOM 74 CG1 VAL A 6 0.998 19.119 -5.551 1.00 72.20 C ATOM 75 CG2 VAL A 6 0.949 18.561 -3.109 1.00 44.50 C ATOM 0 H VAL A 6 3.038 19.703 -2.170 1.00 14.32 H new ATOM 0 HA VAL A 6 3.331 18.160 -4.437 1.00 60.03 H new ATOM 0 HB VAL A 6 1.399 20.466 -3.950 1.00 51.35 H new ATOM 0 HG11 VAL A 6 -0.080 19.277 -5.518 1.00 72.20 H new ATOM 0 HG12 VAL A 6 1.439 19.781 -6.296 1.00 72.20 H new ATOM 0 HG13 VAL A 6 1.205 18.083 -5.819 1.00 72.20 H new ATOM 0 HG21 VAL A 6 -0.128 18.727 -3.111 1.00 44.50 H new ATOM 0 HG22 VAL A 6 1.154 17.510 -3.310 1.00 44.50 H new ATOM 0 HG23 VAL A 6 1.356 18.830 -2.134 1.00 44.50 H new ATOM 85 N PHE A 7 3.936 21.363 -4.947 1.00 61.52 N ATOM 86 CA PHE A 7 4.517 22.316 -5.885 1.00 0.22 C ATOM 87 C PHE A 7 5.867 21.821 -6.397 1.00 12.21 C ATOM 88 O PHE A 7 6.067 21.662 -7.601 1.00 33.22 O ATOM 89 CB PHE A 7 4.682 23.684 -5.219 1.00 32.54 C ATOM 90 CG PHE A 7 3.470 24.561 -5.344 1.00 34.32 C ATOM 91 CD1 PHE A 7 2.946 24.868 -6.589 1.00 14.23 C ATOM 92 CD2 PHE A 7 2.852 25.078 -4.215 1.00 53.15 C ATOM 93 CE1 PHE A 7 1.831 25.676 -6.708 1.00 14.15 C ATOM 94 CE2 PHE A 7 1.736 25.885 -4.328 1.00 1.55 C ATOM 95 CZ PHE A 7 1.224 26.184 -5.575 1.00 2.52 C ATOM 0 H PHE A 7 3.704 21.757 -4.035 1.00 61.52 H new ATOM 0 HA PHE A 7 3.839 22.412 -6.733 1.00 0.22 H new ATOM 0 HB2 PHE A 7 4.909 23.540 -4.163 1.00 32.54 H new ATOM 0 HB3 PHE A 7 5.537 24.194 -5.662 1.00 32.54 H new ATOM 0 HD1 PHE A 7 3.414 24.471 -7.478 1.00 14.23 H new ATOM 0 HD2 PHE A 7 3.247 24.847 -3.237 1.00 53.15 H new ATOM 0 HE1 PHE A 7 1.435 25.910 -7.685 1.00 14.15 H new ATOM 0 HE2 PHE A 7 1.264 26.282 -3.441 1.00 1.55 H new ATOM 0 HZ PHE A 7 0.351 26.814 -5.665 1.00 2.52 H new ATOM 104 N PHE A 8 6.792 21.582 -5.473 1.00 71.32 N ATOM 105 CA PHE A 8 8.123 21.108 -5.829 1.00 64.42 C ATOM 106 C PHE A 8 8.048 19.764 -6.549 1.00 62.21 C ATOM 107 O PHE A 8 8.852 19.476 -7.434 1.00 43.55 O ATOM 108 CB PHE A 8 8.994 20.980 -4.577 1.00 44.01 C ATOM 109 CG PHE A 8 10.399 20.533 -4.868 1.00 13.44 C ATOM 110 CD1 PHE A 8 11.333 21.424 -5.373 1.00 33.11 C ATOM 111 CD2 PHE A 8 10.786 19.223 -4.636 1.00 2.34 C ATOM 112 CE1 PHE A 8 12.626 21.017 -5.641 1.00 2.32 C ATOM 113 CE2 PHE A 8 12.079 18.811 -4.901 1.00 14.33 C ATOM 114 CZ PHE A 8 12.999 19.709 -5.405 1.00 65.12 C ATOM 0 H PHE A 8 6.643 21.709 -4.472 1.00 71.32 H new ATOM 0 HA PHE A 8 8.572 21.837 -6.503 1.00 64.42 H new ATOM 0 HB2 PHE A 8 9.026 21.942 -4.066 1.00 44.01 H new ATOM 0 HB3 PHE A 8 8.530 20.270 -3.892 1.00 44.01 H new ATOM 0 HD1 PHE A 8 11.047 22.449 -5.559 1.00 33.11 H new ATOM 0 HD2 PHE A 8 10.070 18.516 -4.244 1.00 2.34 H new ATOM 0 HE1 PHE A 8 13.344 21.721 -6.035 1.00 2.32 H new ATOM 0 HE2 PHE A 8 12.369 17.788 -4.714 1.00 14.33 H new ATOM 0 HZ PHE A 8 14.009 19.388 -5.614 1.00 65.12 H new ATOM 123 N ALA A 9 7.075 18.946 -6.160 1.00 45.15 N ATOM 124 CA ALA A 9 6.893 17.633 -6.768 1.00 4.43 C ATOM 125 C ALA A 9 6.491 17.758 -8.234 1.00 21.12 C ATOM 126 O ALA A 9 6.933 16.978 -9.076 1.00 11.11 O ATOM 127 CB ALA A 9 5.850 16.835 -5.998 1.00 52.31 C ATOM 0 H ALA A 9 6.401 19.169 -5.427 1.00 45.15 H new ATOM 0 HA ALA A 9 7.845 17.104 -6.724 1.00 4.43 H new ATOM 0 HB1 ALA A 9 5.724 15.857 -6.463 1.00 52.31 H new ATOM 0 HB2 ALA A 9 6.178 16.707 -4.967 1.00 52.31 H new ATOM 0 HB3 ALA A 9 4.900 17.369 -6.013 1.00 52.31 H new ATOM 133 N GLU A 10 5.650 18.745 -8.529 1.00 70.02 N ATOM 134 CA GLU A 10 5.187 18.969 -9.894 1.00 43.44 C ATOM 135 C GLU A 10 6.230 19.737 -10.702 1.00 64.02 C ATOM 136 O GLU A 10 6.440 19.463 -11.884 1.00 30.31 O ATOM 137 CB GLU A 10 3.865 19.738 -9.888 1.00 34.44 C ATOM 138 CG GLU A 10 2.656 18.867 -9.585 1.00 1.52 C ATOM 139 CD GLU A 10 1.372 19.430 -10.163 1.00 72.24 C ATOM 140 OE1 GLU A 10 0.700 20.216 -9.463 1.00 51.21 O ATOM 141 OE2 GLU A 10 1.040 19.084 -11.316 1.00 50.21 O ATOM 0 H GLU A 10 5.276 19.401 -7.843 1.00 70.02 H new ATOM 0 HA GLU A 10 5.032 17.997 -10.362 1.00 43.44 H new ATOM 0 HB2 GLU A 10 3.922 20.536 -9.148 1.00 34.44 H new ATOM 0 HB3 GLU A 10 3.726 20.213 -10.859 1.00 34.44 H new ATOM 0 HG2 GLU A 10 2.823 17.867 -9.986 1.00 1.52 H new ATOM 0 HG3 GLU A 10 2.549 18.763 -8.505 1.00 1.52 H new ATOM 146 N ASP A 11 6.880 20.699 -10.057 1.00 32.41 N ATOM 147 CA ASP A 11 7.900 21.507 -10.713 1.00 41.14 C ATOM 148 C ASP A 11 9.109 20.655 -11.088 1.00 63.41 C ATOM 149 O ASP A 11 9.670 20.797 -12.175 1.00 21.13 O ATOM 150 CB ASP A 11 8.333 22.658 -9.805 1.00 2.10 C ATOM 151 CG ASP A 11 9.412 23.518 -10.435 1.00 24.43 C ATOM 152 OD1 ASP A 11 9.134 24.151 -11.473 1.00 3.53 O ATOM 153 OD2 ASP A 11 10.534 23.556 -9.888 1.00 45.02 O ATOM 0 H ASP A 11 6.718 20.938 -9.079 1.00 32.41 H new ATOM 0 HA ASP A 11 7.470 21.919 -11.626 1.00 41.14 H new ATOM 0 HB2 ASP A 11 7.468 23.279 -9.572 1.00 2.10 H new ATOM 0 HB3 ASP A 11 8.699 22.254 -8.861 1.00 2.10 H new ATOM 157 N VAL A 12 9.507 19.769 -10.179 1.00 71.23 N ATOM 158 CA VAL A 12 10.649 18.894 -10.414 1.00 50.11 C ATOM 159 C VAL A 12 10.335 17.459 -10.006 1.00 52.24 C ATOM 160 O VAL A 12 10.288 16.560 -10.845 1.00 45.54 O ATOM 161 CB VAL A 12 11.892 19.375 -9.642 1.00 31.44 C ATOM 162 CG1 VAL A 12 13.074 18.455 -9.906 1.00 60.33 C ATOM 163 CG2 VAL A 12 12.229 20.810 -10.015 1.00 22.23 C ATOM 0 H VAL A 12 9.055 19.639 -9.274 1.00 71.23 H new ATOM 0 HA VAL A 12 10.859 18.927 -11.483 1.00 50.11 H new ATOM 0 HB VAL A 12 11.670 19.344 -8.575 1.00 31.44 H new ATOM 0 HG11 VAL A 12 13.943 18.811 -9.352 1.00 60.33 H new ATOM 0 HG12 VAL A 12 12.827 17.444 -9.583 1.00 60.33 H new ATOM 0 HG13 VAL A 12 13.300 18.450 -10.972 1.00 60.33 H new ATOM 0 HG21 VAL A 12 13.110 21.133 -9.460 1.00 22.23 H new ATOM 0 HG22 VAL A 12 12.432 20.870 -11.084 1.00 22.23 H new ATOM 0 HG23 VAL A 12 11.387 21.457 -9.768 1.00 22.23 H new ATOM 173 N GLY A 13 10.118 17.251 -8.711 1.00 61.01 N ATOM 174 CA GLY A 13 9.810 15.923 -8.215 1.00 24.50 C ATOM 175 C GLY A 13 11.019 15.008 -8.216 1.00 65.20 C ATOM 176 O GLY A 13 11.804 15.007 -9.164 1.00 51.35 O ATOM 0 H GLY A 13 10.150 17.979 -7.997 1.00 61.01 H new ATOM 0 HA2 GLY A 13 9.417 15.999 -7.201 1.00 24.50 H new ATOM 0 HA3 GLY A 13 9.024 15.482 -8.829 1.00 24.50 H new ATOM 180 N SER A 14 11.171 14.229 -7.150 1.00 51.04 N ATOM 181 CA SER A 14 12.297 13.310 -7.029 1.00 65.11 C ATOM 182 C SER A 14 11.809 11.877 -6.834 1.00 4.03 C ATOM 183 O SER A 14 11.990 11.289 -5.769 1.00 43.12 O ATOM 184 CB SER A 14 13.194 13.719 -5.860 1.00 3.44 C ATOM 185 OG SER A 14 14.012 14.823 -6.206 1.00 50.24 O ATOM 0 H SER A 14 10.529 14.216 -6.358 1.00 51.04 H new ATOM 0 HA SER A 14 12.874 13.357 -7.953 1.00 65.11 H new ATOM 0 HB2 SER A 14 12.578 13.975 -4.998 1.00 3.44 H new ATOM 0 HB3 SER A 14 13.820 12.877 -5.566 1.00 3.44 H new ATOM 0 HG SER A 14 14.574 15.066 -5.441 1.00 50.24 H new ATOM 190 N ASN A 15 11.190 11.322 -7.871 1.00 4.12 N ATOM 191 CA ASN A 15 10.676 9.959 -7.814 1.00 51.11 C ATOM 192 C ASN A 15 9.674 9.802 -6.674 1.00 44.23 C ATOM 193 O ASN A 15 9.907 9.051 -5.727 1.00 62.45 O ATOM 194 CB ASN A 15 11.826 8.965 -7.639 1.00 41.12 C ATOM 195 CG ASN A 15 12.742 8.922 -8.846 1.00 63.52 C ATOM 196 OD1 ASN A 15 12.664 9.774 -9.731 1.00 30.20 O ATOM 197 ND2 ASN A 15 13.617 7.924 -8.889 1.00 65.44 N ATOM 0 H ASN A 15 11.032 11.795 -8.761 1.00 4.12 H new ATOM 0 HA ASN A 15 10.165 9.751 -8.754 1.00 51.11 H new ATOM 0 HB2 ASN A 15 12.405 9.236 -6.756 1.00 41.12 H new ATOM 0 HB3 ASN A 15 11.418 7.970 -7.460 1.00 41.12 H new ATOM 0 HD21 ASN A 15 14.259 7.842 -9.678 1.00 65.44 H new ATOM 0 HD22 ASN A 15 13.647 7.239 -8.133 1.00 65.44 H new ATOM 203 N LYS A 16 8.559 10.517 -6.772 1.00 3.32 N ATOM 204 CA LYS A 16 7.520 10.457 -5.751 1.00 51.41 C ATOM 205 C LYS A 16 6.525 9.341 -6.052 1.00 31.33 C ATOM 206 O LYS A 16 6.354 8.419 -5.256 1.00 74.35 O ATOM 207 CB LYS A 16 6.787 11.798 -5.662 1.00 34.22 C ATOM 208 CG LYS A 16 5.509 11.738 -4.841 1.00 3.41 C ATOM 209 CD LYS A 16 5.789 11.334 -3.403 1.00 41.14 C ATOM 210 CE LYS A 16 4.679 11.791 -2.470 1.00 22.24 C ATOM 211 NZ LYS A 16 3.415 11.038 -2.700 1.00 4.15 N ATOM 0 H LYS A 16 8.351 11.145 -7.548 1.00 3.32 H new ATOM 0 HA LYS A 16 7.997 10.246 -4.794 1.00 51.41 H new ATOM 0 HB2 LYS A 16 7.455 12.540 -5.225 1.00 34.22 H new ATOM 0 HB3 LYS A 16 6.547 12.139 -6.669 1.00 34.22 H new ATOM 0 HG2 LYS A 16 5.019 12.711 -4.858 1.00 3.41 H new ATOM 0 HG3 LYS A 16 4.819 11.025 -5.292 1.00 3.41 H new ATOM 0 HD2 LYS A 16 5.894 10.251 -3.342 1.00 41.14 H new ATOM 0 HD3 LYS A 16 6.737 11.765 -3.081 1.00 41.14 H new ATOM 0 HE2 LYS A 16 4.997 11.659 -1.436 1.00 22.24 H new ATOM 0 HE3 LYS A 16 4.499 12.856 -2.615 1.00 22.24 H new ATOM 0 HZ1 LYS A 16 2.683 11.379 -2.044 1.00 4.15 H new ATOM 0 HZ2 LYS A 16 3.097 11.184 -3.680 1.00 4.15 H new ATOM 0 HZ3 LYS A 16 3.580 10.024 -2.537 1.00 4.15 H new ATOM 221 N GLY A 17 5.872 9.430 -7.207 1.00 5.10 N ATOM 222 CA GLY A 17 4.905 8.421 -7.592 1.00 61.44 C ATOM 223 C GLY A 17 5.471 7.016 -7.518 1.00 12.23 C ATOM 224 O GLY A 17 4.746 6.062 -7.239 1.00 62.15 O ATOM 0 H GLY A 17 5.996 10.184 -7.883 1.00 5.10 H new ATOM 0 HA2 GLY A 17 4.032 8.492 -6.943 1.00 61.44 H new ATOM 0 HA3 GLY A 17 4.563 8.619 -8.608 1.00 61.44 H new ATOM 228 N ALA A 18 6.770 6.889 -7.769 1.00 15.44 N ATOM 229 CA ALA A 18 7.432 5.592 -7.729 1.00 4.32 C ATOM 230 C ALA A 18 7.196 4.896 -6.393 1.00 32.31 C ATOM 231 O ALA A 18 6.759 3.746 -6.351 1.00 75.20 O ATOM 232 CB ALA A 18 8.923 5.753 -7.985 1.00 45.34 C ATOM 0 H ALA A 18 7.384 7.669 -8.002 1.00 15.44 H new ATOM 0 HA ALA A 18 7.004 4.969 -8.514 1.00 4.32 H new ATOM 0 HB1 ALA A 18 9.405 4.776 -7.952 1.00 45.34 H new ATOM 0 HB2 ALA A 18 9.077 6.201 -8.967 1.00 45.34 H new ATOM 0 HB3 ALA A 18 9.356 6.397 -7.220 1.00 45.34 H new ATOM 238 N ILE A 19 7.489 5.599 -5.304 1.00 64.15 N ATOM 239 CA ILE A 19 7.307 5.048 -3.968 1.00 31.31 C ATOM 240 C ILE A 19 5.899 4.491 -3.788 1.00 54.44 C ATOM 241 O ILE A 19 5.720 3.359 -3.342 1.00 70.23 O ATOM 242 CB ILE A 19 7.570 6.108 -2.881 1.00 62.52 C ATOM 243 CG1 ILE A 19 8.976 6.690 -3.037 1.00 12.31 C ATOM 244 CG2 ILE A 19 7.392 5.502 -1.496 1.00 64.34 C ATOM 245 CD1 ILE A 19 10.077 5.664 -2.885 1.00 12.22 C ATOM 0 H ILE A 19 7.853 6.551 -5.321 1.00 64.15 H new ATOM 0 HA ILE A 19 8.031 4.240 -3.860 1.00 31.31 H new ATOM 0 HB ILE A 19 6.847 6.915 -2.998 1.00 62.52 H new ATOM 0 HG12 ILE A 19 9.060 7.158 -4.018 1.00 12.31 H new ATOM 0 HG13 ILE A 19 9.119 7.476 -2.296 1.00 12.31 H new ATOM 0 HG21 ILE A 19 7.581 6.263 -0.739 1.00 64.34 H new ATOM 0 HG22 ILE A 19 6.373 5.130 -1.390 1.00 64.34 H new ATOM 0 HG23 ILE A 19 8.094 4.679 -1.366 1.00 64.34 H new ATOM 0 HD11 ILE A 19 11.046 6.149 -3.008 1.00 12.22 H new ATOM 0 HD12 ILE A 19 10.020 5.213 -1.894 1.00 12.22 H new ATOM 0 HD13 ILE A 19 9.960 4.890 -3.643 1.00 12.22 H new ATOM 256 N ILE A 20 4.902 5.296 -4.143 1.00 41.10 N ATOM 257 CA ILE A 20 3.509 4.883 -4.025 1.00 21.55 C ATOM 258 C ILE A 20 3.255 3.582 -4.779 1.00 42.43 C ATOM 259 O ILE A 20 2.747 2.613 -4.215 1.00 4.41 O ATOM 260 CB ILE A 20 2.553 5.966 -4.557 1.00 11.44 C ATOM 261 CG1 ILE A 20 2.753 7.275 -3.789 1.00 51.04 C ATOM 262 CG2 ILE A 20 1.110 5.498 -4.450 1.00 54.13 C ATOM 263 CD1 ILE A 20 2.765 8.500 -4.677 1.00 24.22 C ATOM 0 H ILE A 20 5.033 6.237 -4.514 1.00 41.10 H new ATOM 0 HA ILE A 20 3.315 4.729 -2.963 1.00 21.55 H new ATOM 0 HB ILE A 20 2.779 6.145 -5.608 1.00 11.44 H new ATOM 0 HG12 ILE A 20 1.958 7.379 -3.051 1.00 51.04 H new ATOM 0 HG13 ILE A 20 3.693 7.225 -3.240 1.00 51.04 H new ATOM 0 HG21 ILE A 20 0.446 6.275 -4.830 1.00 54.13 H new ATOM 0 HG22 ILE A 20 0.978 4.589 -5.037 1.00 54.13 H new ATOM 0 HG23 ILE A 20 0.870 5.294 -3.406 1.00 54.13 H new ATOM 0 HD11 ILE A 20 2.911 9.391 -4.066 1.00 24.22 H new ATOM 0 HD12 ILE A 20 3.578 8.418 -5.399 1.00 24.22 H new ATOM 0 HD13 ILE A 20 1.815 8.575 -5.207 1.00 24.22 H new ATOM 274 N GLY A 21 3.615 3.567 -6.059 1.00 51.23 N ATOM 275 CA GLY A 21 3.420 2.379 -6.870 1.00 54.43 C ATOM 276 C GLY A 21 4.192 1.185 -6.346 1.00 23.25 C ATOM 277 O GLY A 21 3.733 0.047 -6.444 1.00 35.02 O ATOM 0 H GLY A 21 4.038 4.356 -6.548 1.00 51.23 H new ATOM 0 HA2 GLY A 21 2.358 2.135 -6.902 1.00 54.43 H new ATOM 0 HA3 GLY A 21 3.730 2.587 -7.894 1.00 54.43 H new ATOM 281 N LEU A 22 5.370 1.443 -5.787 1.00 11.43 N ATOM 282 CA LEU A 22 6.209 0.381 -5.246 1.00 3.15 C ATOM 283 C LEU A 22 5.514 -0.326 -4.087 1.00 74.04 C ATOM 284 O LEU A 22 5.367 -1.549 -4.092 1.00 15.34 O ATOM 285 CB LEU A 22 7.550 0.951 -4.778 1.00 51.22 C ATOM 286 CG LEU A 22 8.756 0.020 -4.903 1.00 72.41 C ATOM 287 CD1 LEU A 22 8.496 -1.290 -4.176 1.00 23.32 C ATOM 288 CD2 LEU A 22 9.082 -0.237 -6.367 1.00 72.34 C ATOM 0 H LEU A 22 5.765 2.379 -5.697 1.00 11.43 H new ATOM 0 HA LEU A 22 6.386 -0.346 -6.038 1.00 3.15 H new ATOM 0 HB2 LEU A 22 7.755 1.857 -5.348 1.00 51.22 H new ATOM 0 HB3 LEU A 22 7.452 1.247 -3.734 1.00 51.22 H new ATOM 0 HG LEU A 22 9.615 0.505 -4.440 1.00 72.41 H new ATOM 0 HD11 LEU A 22 9.365 -1.940 -4.276 1.00 23.32 H new ATOM 0 HD12 LEU A 22 8.312 -1.090 -3.120 1.00 23.32 H new ATOM 0 HD13 LEU A 22 7.625 -1.780 -4.610 1.00 23.32 H new ATOM 0 HD21 LEU A 22 9.943 -0.902 -6.437 1.00 72.34 H new ATOM 0 HD22 LEU A 22 8.225 -0.701 -6.855 1.00 72.34 H new ATOM 0 HD23 LEU A 22 9.312 0.708 -6.860 1.00 72.34 H new ATOM 299 N MET A 23 5.086 0.451 -3.098 1.00 73.43 N ATOM 300 CA MET A 23 4.401 -0.101 -1.934 1.00 63.21 C ATOM 301 C MET A 23 3.046 -0.682 -2.326 1.00 30.15 C ATOM 302 O MET A 23 2.748 -1.841 -2.035 1.00 2.34 O ATOM 303 CB MET A 23 4.219 0.976 -0.864 1.00 70.10 C ATOM 304 CG MET A 23 5.493 1.300 -0.102 1.00 44.35 C ATOM 305 SD MET A 23 5.897 0.054 1.137 1.00 2.05 S ATOM 306 CE MET A 23 5.157 0.780 2.598 1.00 1.21 C ATOM 0 H MET A 23 5.201 1.464 -3.079 1.00 73.43 H new ATOM 0 HA MET A 23 5.016 -0.904 -1.528 1.00 63.21 H new ATOM 0 HB2 MET A 23 3.847 1.885 -1.336 1.00 70.10 H new ATOM 0 HB3 MET A 23 3.456 0.649 -0.157 1.00 70.10 H new ATOM 0 HG2 MET A 23 6.320 1.388 -0.806 1.00 44.35 H new ATOM 0 HG3 MET A 23 5.384 2.269 0.385 1.00 44.35 H new ATOM 0 HE1 MET A 23 5.322 0.125 3.453 1.00 1.21 H new ATOM 0 HE2 MET A 23 5.612 1.751 2.792 1.00 1.21 H new ATOM 0 HE3 MET A 23 4.086 0.906 2.439 1.00 1.21 H new ATOM 314 N VAL A 24 2.228 0.131 -2.986 1.00 34.22 N ATOM 315 CA VAL A 24 0.904 -0.302 -3.417 1.00 53.50 C ATOM 316 C VAL A 24 0.991 -1.545 -4.295 1.00 24.42 C ATOM 317 O VAL A 24 0.100 -2.394 -4.278 1.00 44.13 O ATOM 318 CB VAL A 24 0.175 0.811 -4.192 1.00 55.55 C ATOM 319 CG1 VAL A 24 -1.190 0.329 -4.662 1.00 61.11 C ATOM 320 CG2 VAL A 24 0.042 2.059 -3.334 1.00 54.10 C ATOM 0 H VAL A 24 2.459 1.093 -3.234 1.00 34.22 H new ATOM 0 HA VAL A 24 0.338 -0.537 -2.515 1.00 53.50 H new ATOM 0 HB VAL A 24 0.767 1.064 -5.071 1.00 55.55 H new ATOM 0 HG11 VAL A 24 -1.690 1.129 -5.208 1.00 61.11 H new ATOM 0 HG12 VAL A 24 -1.066 -0.534 -5.316 1.00 61.11 H new ATOM 0 HG13 VAL A 24 -1.793 0.046 -3.799 1.00 61.11 H new ATOM 0 HG21 VAL A 24 -0.476 2.835 -3.898 1.00 54.10 H new ATOM 0 HG22 VAL A 24 -0.527 1.823 -2.435 1.00 54.10 H new ATOM 0 HG23 VAL A 24 1.033 2.415 -3.053 1.00 54.10 H new ATOM 330 N GLY A 25 2.073 -1.647 -5.062 1.00 15.44 N ATOM 331 CA GLY A 25 2.257 -2.791 -5.936 1.00 1.34 C ATOM 332 C GLY A 25 2.594 -4.055 -5.173 1.00 24.53 C ATOM 333 O GLY A 25 2.025 -5.115 -5.431 1.00 11.05 O ATOM 0 H GLY A 25 2.825 -0.958 -5.093 1.00 15.44 H new ATOM 0 HA2 GLY A 25 1.348 -2.952 -6.515 1.00 1.34 H new ATOM 0 HA3 GLY A 25 3.054 -2.576 -6.647 1.00 1.34 H new ATOM 337 N GLY A 26 3.526 -3.945 -4.229 1.00 74.10 N ATOM 338 CA GLY A 26 3.922 -5.098 -3.441 1.00 41.04 C ATOM 339 C GLY A 26 2.785 -5.647 -2.603 1.00 23.42 C ATOM 340 O GLY A 26 2.617 -6.862 -2.492 1.00 24.45 O ATOM 0 H GLY A 26 4.013 -3.079 -3.997 1.00 74.10 H new ATOM 0 HA2 GLY A 26 4.289 -5.880 -4.106 1.00 41.04 H new ATOM 0 HA3 GLY A 26 4.749 -4.821 -2.788 1.00 41.04 H new ATOM 344 N VAL A 27 2.002 -4.752 -2.010 1.00 41.43 N ATOM 345 CA VAL A 27 0.875 -5.153 -1.178 1.00 22.32 C ATOM 346 C VAL A 27 -0.239 -5.766 -2.019 1.00 30.13 C ATOM 347 O VAL A 27 -0.686 -6.883 -1.757 1.00 34.02 O ATOM 348 CB VAL A 27 0.308 -3.959 -0.386 1.00 23.42 C ATOM 349 CG1 VAL A 27 -0.716 -4.433 0.634 1.00 0.43 C ATOM 350 CG2 VAL A 27 1.431 -3.190 0.292 1.00 30.12 C ATOM 0 H VAL A 27 2.128 -3.743 -2.091 1.00 41.43 H new ATOM 0 HA VAL A 27 1.250 -5.899 -0.477 1.00 22.32 H new ATOM 0 HB VAL A 27 -0.193 -3.287 -1.083 1.00 23.42 H new ATOM 0 HG11 VAL A 27 -1.105 -3.576 1.184 1.00 0.43 H new ATOM 0 HG12 VAL A 27 -1.535 -4.937 0.120 1.00 0.43 H new ATOM 0 HG13 VAL A 27 -0.243 -5.126 1.330 1.00 0.43 H new ATOM 0 HG21 VAL A 27 1.013 -2.350 0.847 1.00 30.12 H new ATOM 0 HG22 VAL A 27 1.962 -3.850 0.978 1.00 30.12 H new ATOM 0 HG23 VAL A 27 2.124 -2.818 -0.462 1.00 30.12 H new ATOM 360 N VAL A 28 -0.683 -5.028 -3.032 1.00 21.35 N ATOM 361 CA VAL A 28 -1.743 -5.500 -3.912 1.00 54.54 C ATOM 362 C VAL A 28 -1.378 -6.837 -4.546 1.00 73.22 C ATOM 363 O VAL A 28 -2.150 -7.796 -4.486 1.00 54.50 O ATOM 364 CB VAL A 28 -2.041 -4.479 -5.028 1.00 61.22 C ATOM 365 CG1 VAL A 28 -2.965 -5.085 -6.074 1.00 21.51 C ATOM 366 CG2 VAL A 28 -2.643 -3.211 -4.443 1.00 51.22 C ATOM 0 H VAL A 28 -0.324 -4.101 -3.262 1.00 21.35 H new ATOM 0 HA VAL A 28 -2.633 -5.626 -3.296 1.00 54.54 H new ATOM 0 HB VAL A 28 -1.102 -4.216 -5.516 1.00 61.22 H new ATOM 0 HG11 VAL A 28 -3.164 -4.350 -6.854 1.00 21.51 H new ATOM 0 HG12 VAL A 28 -2.490 -5.962 -6.515 1.00 21.51 H new ATOM 0 HG13 VAL A 28 -3.904 -5.379 -5.604 1.00 21.51 H new ATOM 0 HG21 VAL A 28 -2.847 -2.501 -5.245 1.00 51.22 H new ATOM 0 HG22 VAL A 28 -3.573 -3.454 -3.928 1.00 51.22 H new ATOM 0 HG23 VAL A 28 -1.942 -2.768 -3.736 1.00 51.22 H new ATOM 376 N ILE A 29 -0.197 -6.896 -5.152 1.00 14.41 N ATOM 377 CA ILE A 29 0.270 -8.117 -5.796 1.00 44.11 C ATOM 378 C ILE A 29 0.350 -9.267 -4.798 1.00 61.15 C ATOM 379 O ILE A 29 -0.250 -10.323 -5.005 1.00 25.11 O ATOM 380 CB ILE A 29 1.653 -7.917 -6.443 1.00 44.43 C ATOM 381 CG1 ILE A 29 1.551 -6.959 -7.631 1.00 44.55 C ATOM 382 CG2 ILE A 29 2.231 -9.255 -6.883 1.00 13.50 C ATOM 383 CD1 ILE A 29 0.731 -7.504 -8.779 1.00 74.20 C ATOM 0 H ILE A 29 0.454 -6.113 -5.210 1.00 14.41 H new ATOM 0 HA ILE A 29 -0.454 -8.362 -6.573 1.00 44.11 H new ATOM 0 HB ILE A 29 2.323 -7.479 -5.703 1.00 44.43 H new ATOM 0 HG12 ILE A 29 1.110 -6.021 -7.294 1.00 44.55 H new ATOM 0 HG13 ILE A 29 2.555 -6.729 -7.989 1.00 44.55 H new ATOM 0 HG21 ILE A 29 3.209 -9.097 -7.338 1.00 13.50 H new ATOM 0 HG22 ILE A 29 2.335 -9.909 -6.017 1.00 13.50 H new ATOM 0 HG23 ILE A 29 1.563 -9.719 -7.609 1.00 13.50 H new ATOM 0 HD11 ILE A 29 0.702 -6.771 -9.586 1.00 74.20 H new ATOM 0 HD12 ILE A 29 1.183 -8.427 -9.143 1.00 74.20 H new ATOM 0 HD13 ILE A 29 -0.284 -7.707 -8.437 1.00 74.20 H new ATOM 394 N ALA A 30 1.092 -9.057 -3.717 1.00 10.43 N ATOM 395 CA ALA A 30 1.247 -10.074 -2.685 1.00 70.55 C ATOM 396 C ALA A 30 -0.110 -10.556 -2.182 1.00 23.22 C ATOM 397 O ALA A 30 -0.373 -11.758 -2.128 1.00 31.13 O ATOM 398 CB ALA A 30 2.078 -9.535 -1.532 1.00 5.24 C ATOM 0 H ALA A 30 1.596 -8.190 -3.533 1.00 10.43 H new ATOM 0 HA ALA A 30 1.766 -10.926 -3.124 1.00 70.55 H new ATOM 0 HB1 ALA A 30 2.185 -10.306 -0.769 1.00 5.24 H new ATOM 0 HB2 ALA A 30 3.064 -9.247 -1.897 1.00 5.24 H new ATOM 0 HB3 ALA A 30 1.582 -8.665 -1.102 1.00 5.24 H new ATOM 404 N THR A 31 -0.969 -9.611 -1.814 1.00 20.03 N ATOM 405 CA THR A 31 -2.298 -9.939 -1.313 1.00 31.13 C ATOM 406 C THR A 31 -3.036 -10.863 -2.276 1.00 22.44 C ATOM 407 O THR A 31 -3.525 -11.922 -1.883 1.00 20.43 O ATOM 408 CB THR A 31 -3.143 -8.671 -1.089 1.00 11.42 C ATOM 409 OG1 THR A 31 -2.497 -7.813 -0.141 1.00 60.31 O ATOM 410 CG2 THR A 31 -4.535 -9.029 -0.590 1.00 52.01 C ATOM 0 H THR A 31 -0.768 -8.612 -1.853 1.00 20.03 H new ATOM 0 HA THR A 31 -2.159 -10.448 -0.359 1.00 31.13 H new ATOM 0 HB THR A 31 -3.239 -8.152 -2.043 1.00 11.42 H new ATOM 0 HG1 THR A 31 -1.668 -7.462 -0.529 1.00 60.31 H new ATOM 0 HG21 THR A 31 -5.113 -8.117 -0.439 1.00 52.01 H new ATOM 0 HG22 THR A 31 -5.035 -9.658 -1.327 1.00 52.01 H new ATOM 0 HG23 THR A 31 -4.456 -9.569 0.354 1.00 52.01 H new ATOM 418 N VAL A 32 -3.111 -10.457 -3.539 1.00 10.44 N ATOM 419 CA VAL A 32 -3.787 -11.250 -4.558 1.00 32.04 C ATOM 420 C VAL A 32 -3.228 -12.667 -4.612 1.00 51.24 C ATOM 421 O VAL A 32 -3.978 -13.643 -4.585 1.00 54.53 O ATOM 422 CB VAL A 32 -3.656 -10.604 -5.950 1.00 53.41 C ATOM 423 CG1 VAL A 32 -4.350 -11.456 -7.001 1.00 54.55 C ATOM 424 CG2 VAL A 32 -4.222 -9.191 -5.937 1.00 61.54 C ATOM 0 H VAL A 32 -2.712 -9.583 -3.881 1.00 10.44 H new ATOM 0 HA VAL A 32 -4.841 -11.289 -4.282 1.00 32.04 H new ATOM 0 HB VAL A 32 -2.598 -10.544 -6.206 1.00 53.41 H new ATOM 0 HG11 VAL A 32 -4.247 -10.984 -7.978 1.00 54.55 H new ATOM 0 HG12 VAL A 32 -3.894 -12.446 -7.026 1.00 54.55 H new ATOM 0 HG13 VAL A 32 -5.407 -11.550 -6.753 1.00 54.55 H new ATOM 0 HG21 VAL A 32 -4.121 -8.750 -6.928 1.00 61.54 H new ATOM 0 HG22 VAL A 32 -5.276 -9.224 -5.660 1.00 61.54 H new ATOM 0 HG23 VAL A 32 -3.675 -8.587 -5.213 1.00 61.54 H new ATOM 434 N ILE A 33 -1.906 -12.773 -4.689 1.00 4.13 N ATOM 435 CA ILE A 33 -1.246 -14.071 -4.746 1.00 32.03 C ATOM 436 C ILE A 33 -1.598 -14.920 -3.529 1.00 44.01 C ATOM 437 O ILE A 33 -1.724 -16.141 -3.626 1.00 42.43 O ATOM 438 CB ILE A 33 0.285 -13.921 -4.827 1.00 73.21 C ATOM 439 CG1 ILE A 33 0.674 -13.105 -6.062 1.00 73.12 C ATOM 440 CG2 ILE A 33 0.950 -15.289 -4.860 1.00 24.25 C ATOM 441 CD1 ILE A 33 2.068 -12.522 -5.986 1.00 75.23 C ATOM 0 H ILE A 33 -1.271 -11.975 -4.713 1.00 4.13 H new ATOM 0 HA ILE A 33 -1.603 -14.567 -5.649 1.00 32.03 H new ATOM 0 HB ILE A 33 0.631 -13.391 -3.940 1.00 73.21 H new ATOM 0 HG12 ILE A 33 0.602 -13.740 -6.945 1.00 73.12 H new ATOM 0 HG13 ILE A 33 -0.043 -12.295 -6.193 1.00 73.12 H new ATOM 0 HG21 ILE A 33 2.032 -15.167 -4.917 1.00 24.25 H new ATOM 0 HG22 ILE A 33 0.695 -15.840 -3.955 1.00 24.25 H new ATOM 0 HG23 ILE A 33 0.601 -15.842 -5.732 1.00 24.25 H new ATOM 0 HD11 ILE A 33 2.276 -11.957 -6.894 1.00 75.23 H new ATOM 0 HD12 ILE A 33 2.139 -11.860 -5.123 1.00 75.23 H new ATOM 0 HD13 ILE A 33 2.795 -13.328 -5.886 1.00 75.23 H new ATOM 452 N VAL A 34 -1.758 -14.265 -2.384 1.00 25.04 N ATOM 453 CA VAL A 34 -2.099 -14.960 -1.147 1.00 52.31 C ATOM 454 C VAL A 34 -3.505 -15.546 -1.216 1.00 40.12 C ATOM 455 O VAL A 34 -3.714 -16.721 -0.914 1.00 4.24 O ATOM 456 CB VAL A 34 -2.006 -14.019 0.069 1.00 4.50 C ATOM 457 CG1 VAL A 34 -2.423 -14.745 1.339 1.00 52.22 C ATOM 458 CG2 VAL A 34 -0.597 -13.460 0.202 1.00 20.12 C ATOM 0 H VAL A 34 -1.657 -13.255 -2.286 1.00 25.04 H new ATOM 0 HA VAL A 34 -1.377 -15.768 -1.028 1.00 52.31 H new ATOM 0 HB VAL A 34 -2.691 -13.185 -0.085 1.00 4.50 H new ATOM 0 HG11 VAL A 34 -2.351 -14.065 2.187 1.00 52.22 H new ATOM 0 HG12 VAL A 34 -3.451 -15.092 1.239 1.00 52.22 H new ATOM 0 HG13 VAL A 34 -1.766 -15.599 1.502 1.00 52.22 H new ATOM 0 HG21 VAL A 34 -0.549 -12.797 1.066 1.00 20.12 H new ATOM 0 HG22 VAL A 34 0.109 -14.280 0.334 1.00 20.12 H new ATOM 0 HG23 VAL A 34 -0.341 -12.902 -0.698 1.00 20.12 H new ATOM 468 N ILE A 35 -4.465 -14.720 -1.616 1.00 53.41 N ATOM 469 CA ILE A 35 -5.851 -15.157 -1.726 1.00 10.11 C ATOM 470 C ILE A 35 -5.992 -16.287 -2.740 1.00 55.12 C ATOM 471 O ILE A 35 -6.757 -17.230 -2.533 1.00 53.32 O ATOM 472 CB ILE A 35 -6.777 -13.996 -2.136 1.00 13.43 C ATOM 473 CG1 ILE A 35 -6.704 -12.868 -1.105 1.00 1.43 C ATOM 474 CG2 ILE A 35 -8.208 -14.488 -2.290 1.00 21.53 C ATOM 475 CD1 ILE A 35 -7.164 -13.281 0.276 1.00 34.11 C ATOM 0 H ILE A 35 -4.309 -13.744 -1.869 1.00 53.41 H new ATOM 0 HA ILE A 35 -6.147 -15.517 -0.741 1.00 10.11 H new ATOM 0 HB ILE A 35 -6.442 -13.607 -3.097 1.00 13.43 H new ATOM 0 HG12 ILE A 35 -5.677 -12.508 -1.044 1.00 1.43 H new ATOM 0 HG13 ILE A 35 -7.315 -12.033 -1.448 1.00 1.43 H new ATOM 0 HG21 ILE A 35 -8.850 -13.656 -2.580 1.00 21.53 H new ATOM 0 HG22 ILE A 35 -8.246 -15.261 -3.058 1.00 21.53 H new ATOM 0 HG23 ILE A 35 -8.555 -14.901 -1.343 1.00 21.53 H new ATOM 0 HD11 ILE A 35 -7.085 -12.432 0.955 1.00 34.11 H new ATOM 0 HD12 ILE A 35 -8.201 -13.613 0.230 1.00 34.11 H new ATOM 0 HD13 ILE A 35 -6.538 -14.096 0.640 1.00 34.11 H new ATOM 486 N THR A 36 -5.248 -16.187 -3.837 1.00 13.30 N ATOM 487 CA THR A 36 -5.290 -17.200 -4.885 1.00 24.55 C ATOM 488 C THR A 36 -4.729 -18.528 -4.386 1.00 13.13 C ATOM 489 O THR A 36 -5.363 -19.574 -4.532 1.00 44.44 O ATOM 490 CB THR A 36 -4.497 -16.756 -6.127 1.00 54.24 C ATOM 491 OG1 THR A 36 -3.188 -16.322 -5.745 1.00 42.15 O ATOM 492 CG2 THR A 36 -5.218 -15.630 -6.854 1.00 43.24 C ATOM 0 H THR A 36 -4.609 -15.414 -4.023 1.00 13.30 H new ATOM 0 HA THR A 36 -6.337 -17.329 -5.159 1.00 24.55 H new ATOM 0 HB THR A 36 -4.413 -17.609 -6.801 1.00 54.24 H new ATOM 0 HG1 THR A 36 -3.143 -16.236 -4.770 1.00 42.15 H new ATOM 0 HG21 THR A 36 -4.639 -15.332 -7.728 1.00 43.24 H new ATOM 0 HG22 THR A 36 -6.203 -15.973 -7.170 1.00 43.24 H new ATOM 0 HG23 THR A 36 -5.329 -14.777 -6.185 1.00 43.24 H new ATOM 500 N LEU A 37 -3.540 -18.478 -3.798 1.00 24.22 N ATOM 501 CA LEU A 37 -2.894 -19.678 -3.277 1.00 1.14 C ATOM 502 C LEU A 37 -3.744 -20.326 -2.188 1.00 52.34 C ATOM 503 O LEU A 37 -3.932 -21.542 -2.175 1.00 33.20 O ATOM 504 CB LEU A 37 -1.510 -19.336 -2.722 1.00 25.32 C ATOM 505 CG LEU A 37 -0.673 -20.518 -2.229 1.00 12.11 C ATOM 506 CD1 LEU A 37 -0.633 -21.617 -3.278 1.00 63.32 C ATOM 507 CD2 LEU A 37 0.735 -20.063 -1.875 1.00 42.14 C ATOM 0 H LEU A 37 -3.003 -17.620 -3.670 1.00 24.22 H new ATOM 0 HA LEU A 37 -2.785 -20.387 -4.098 1.00 1.14 H new ATOM 0 HB2 LEU A 37 -0.948 -18.817 -3.498 1.00 25.32 H new ATOM 0 HB3 LEU A 37 -1.635 -18.635 -1.896 1.00 25.32 H new ATOM 0 HG LEU A 37 -1.140 -20.920 -1.330 1.00 12.11 H new ATOM 0 HD11 LEU A 37 -0.033 -22.450 -2.910 1.00 63.32 H new ATOM 0 HD12 LEU A 37 -1.647 -21.962 -3.482 1.00 63.32 H new ATOM 0 HD13 LEU A 37 -0.190 -21.229 -4.195 1.00 63.32 H new ATOM 0 HD21 LEU A 37 1.316 -20.917 -1.526 1.00 42.14 H new ATOM 0 HD22 LEU A 37 1.212 -19.635 -2.757 1.00 42.14 H new ATOM 0 HD23 LEU A 37 0.687 -19.311 -1.088 1.00 42.14 H new ATOM 518 N VAL A 38 -4.258 -19.504 -1.278 1.00 64.13 N ATOM 519 CA VAL A 38 -5.091 -19.997 -0.188 1.00 15.32 C ATOM 520 C VAL A 38 -6.409 -20.555 -0.713 1.00 62.41 C ATOM 521 O VAL A 38 -6.774 -21.693 -0.417 1.00 24.20 O ATOM 522 CB VAL A 38 -5.391 -18.885 0.835 1.00 4.13 C ATOM 523 CG1 VAL A 38 -6.327 -19.395 1.921 1.00 44.13 C ATOM 524 CG2 VAL A 38 -4.098 -18.356 1.440 1.00 62.33 C ATOM 0 H VAL A 38 -4.112 -18.495 -1.274 1.00 64.13 H new ATOM 0 HA VAL A 38 -4.531 -20.793 0.303 1.00 15.32 H new ATOM 0 HB VAL A 38 -5.887 -18.064 0.318 1.00 4.13 H new ATOM 0 HG11 VAL A 38 -6.527 -18.595 2.634 1.00 44.13 H new ATOM 0 HG12 VAL A 38 -7.264 -19.722 1.470 1.00 44.13 H new ATOM 0 HG13 VAL A 38 -5.861 -20.234 2.438 1.00 44.13 H new ATOM 0 HG21 VAL A 38 -4.328 -17.571 2.161 1.00 62.33 H new ATOM 0 HG22 VAL A 38 -3.573 -19.168 1.943 1.00 62.33 H new ATOM 0 HG23 VAL A 38 -3.466 -17.950 0.650 1.00 62.33 H new ATOM 534 N MET A 39 -7.118 -19.749 -1.496 1.00 23.53 N ATOM 535 CA MET A 39 -8.395 -20.165 -2.065 1.00 32.35 C ATOM 536 C MET A 39 -8.218 -21.383 -2.965 1.00 15.42 C ATOM 537 O MET A 39 -9.127 -22.201 -3.106 1.00 33.50 O ATOM 538 CB MET A 39 -9.023 -19.016 -2.856 1.00 73.23 C ATOM 539 CG MET A 39 -8.449 -18.858 -4.255 1.00 10.44 C ATOM 540 SD MET A 39 -9.196 -17.489 -5.161 1.00 61.41 S ATOM 541 CE MET A 39 -10.500 -18.341 -6.046 1.00 13.41 C ATOM 0 H MET A 39 -6.830 -18.804 -1.751 1.00 23.53 H new ATOM 0 HA MET A 39 -9.060 -20.437 -1.245 1.00 32.35 H new ATOM 0 HB2 MET A 39 -10.098 -19.181 -2.929 1.00 73.23 H new ATOM 0 HB3 MET A 39 -8.880 -18.086 -2.306 1.00 73.23 H new ATOM 0 HG2 MET A 39 -7.373 -18.699 -4.186 1.00 10.44 H new ATOM 0 HG3 MET A 39 -8.600 -19.783 -4.812 1.00 10.44 H new ATOM 0 HE1 MET A 39 -11.055 -17.626 -6.654 1.00 13.41 H new ATOM 0 HE2 MET A 39 -10.064 -19.104 -6.691 1.00 13.41 H new ATOM 0 HE3 MET A 39 -11.176 -18.812 -5.333 1.00 13.41 H new ATOM 549 N LEU A 40 -7.044 -21.497 -3.575 1.00 25.01 N ATOM 550 CA LEU A 40 -6.747 -22.615 -4.463 1.00 0.00 C ATOM 551 C LEU A 40 -6.672 -23.925 -3.684 1.00 11.11 C ATOM 552 O LEU A 40 -6.928 -24.999 -4.227 1.00 55.32 O ATOM 553 CB LEU A 40 -5.429 -22.371 -5.200 1.00 75.02 C ATOM 554 CG LEU A 40 -4.961 -23.494 -6.128 1.00 15.33 C ATOM 555 CD1 LEU A 40 -4.363 -22.918 -7.402 1.00 72.14 C ATOM 556 CD2 LEU A 40 -3.954 -24.386 -5.419 1.00 42.03 C ATOM 0 H LEU A 40 -6.281 -20.828 -3.471 1.00 25.01 H new ATOM 0 HA LEU A 40 -7.554 -22.692 -5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.528 -21.458 -5.788 1.00 75.02 H new ATOM 0 HB3 LEU A 40 -4.650 -22.190 -4.460 1.00 75.02 H new ATOM 0 HG LEU A 40 -5.825 -24.101 -6.399 1.00 15.33 H new ATOM 0 HD11 LEU A 40 -4.036 -23.731 -8.050 1.00 72.14 H new ATOM 0 HD12 LEU A 40 -5.114 -22.322 -7.919 1.00 72.14 H new ATOM 0 HD13 LEU A 40 -3.510 -22.288 -7.151 1.00 72.14 H new ATOM 0 HD21 LEU A 40 -3.632 -25.179 -6.094 1.00 42.03 H new ATOM 0 HD22 LEU A 40 -3.091 -23.793 -5.118 1.00 42.03 H new ATOM 0 HD23 LEU A 40 -4.417 -24.827 -4.536 1.00 42.03 H new