USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot 180:sc= -0.757 USER MOD Set 1.2: A 21 MET CE :methyl 177:sc= -1.36 (180deg=-1.45) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0487 X(o=-0.049,f=-0.32) USER MOD Single : A 4 SER OG : rot 170:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.1) USER MOD Single : A 9 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.03) USER MOD Single : A 14 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.16) USER MOD Single : A 15 THR OG1 : rot -104:sc= -0.88 USER MOD Single : A 22 MET CE :methyl -141:sc= -1.38 (180deg=-3.04!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 42 SER OG : rot -53:sc= 0.565 USER MOD Single : A 43 MET CE :methyl -169:sc= -0.364 (180deg=-0.373) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.51 K(o=-4.5,f=-7!) USER MOD Single : A 53 THR OG1 : rot 135:sc= 1.17 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 56 MET CE :methyl 159:sc= -0.593 (180deg=-1.05) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -38:sc= -0.897 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -15.470 -7.200 -4.849 1.00 0.00 N ATOM 2 CA ASN A 1 -15.188 -8.009 -6.068 1.00 0.00 C ATOM 3 C ASN A 1 -14.044 -8.976 -5.783 1.00 0.00 C ATOM 4 O ASN A 1 -14.210 -10.194 -5.852 1.00 0.00 O ATOM 5 CB ASN A 1 -14.795 -7.079 -7.218 1.00 0.00 C ATOM 6 CG ASN A 1 -15.274 -7.672 -8.539 1.00 0.00 C ATOM 7 OD1 ASN A 1 -16.471 -7.884 -8.734 1.00 0.00 O ATOM 8 ND2 ASN A 1 -14.401 -7.956 -9.467 1.00 0.00 N ATOM 0 H1 ASN A 1 -16.250 -6.540 -5.043 1.00 0.00 H new ATOM 0 H2 ASN A 1 -15.737 -7.832 -4.067 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.620 -6.662 -4.585 1.00 0.00 H new ATOM 0 HA ASN A 1 -16.079 -8.572 -6.344 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -15.235 -6.093 -7.069 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.713 -6.945 -7.238 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -14.711 -8.354 -10.354 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -13.409 -7.780 -9.305 1.00 0.00 H new ATOM 15 N GLN A 2 -12.880 -8.418 -5.462 1.00 0.00 N ATOM 16 CA GLN A 2 -11.710 -9.239 -5.165 1.00 0.00 C ATOM 17 C GLN A 2 -10.862 -8.585 -4.079 1.00 0.00 C ATOM 18 O GLN A 2 -11.212 -7.530 -3.549 1.00 0.00 O ATOM 19 CB GLN A 2 -10.854 -9.425 -6.420 1.00 0.00 C ATOM 20 CG GLN A 2 -10.515 -8.056 -7.015 1.00 0.00 C ATOM 21 CD GLN A 2 -9.988 -8.234 -8.434 1.00 0.00 C ATOM 22 OE1 GLN A 2 -10.628 -8.877 -9.265 1.00 0.00 O ATOM 23 NE2 GLN A 2 -8.845 -7.698 -8.765 1.00 0.00 N ATOM 0 H GLN A 2 -12.722 -7.412 -5.401 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.061 -10.211 -4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.939 -9.962 -6.172 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.390 -10.029 -7.152 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -11.401 -7.421 -7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.769 -7.555 -6.399 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.314 -7.165 -8.077 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.483 -7.812 -9.712 1.00 0.00 H new ATOM 32 N ALA A 3 -9.743 -9.225 -3.752 1.00 0.00 N ATOM 33 CA ALA A 3 -8.847 -8.700 -2.726 1.00 0.00 C ATOM 34 C ALA A 3 -7.836 -7.740 -3.343 1.00 0.00 C ATOM 35 O ALA A 3 -7.039 -8.119 -4.201 1.00 0.00 O ATOM 36 CB ALA A 3 -8.095 -9.840 -2.036 1.00 0.00 C ATOM 0 H ALA A 3 -9.437 -10.100 -4.178 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.452 -8.169 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.432 -9.430 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.810 -10.517 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.507 -10.386 -2.773 1.00 0.00 H new ATOM 42 N SER A 4 -7.876 -6.487 -2.894 1.00 0.00 N ATOM 43 CA SER A 4 -6.958 -5.475 -3.408 1.00 0.00 C ATOM 44 C SER A 4 -5.920 -5.113 -2.351 1.00 0.00 C ATOM 45 O SER A 4 -5.871 -5.711 -1.276 1.00 0.00 O ATOM 46 CB SER A 4 -7.723 -4.212 -3.808 1.00 0.00 C ATOM 47 OG SER A 4 -8.740 -4.555 -4.740 1.00 0.00 O ATOM 0 H SER A 4 -8.527 -6.152 -2.184 1.00 0.00 H new ATOM 0 HA SER A 4 -6.457 -5.888 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.163 -3.745 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.041 -3.484 -4.247 1.00 0.00 H new ATOM 0 HG SER A 4 -9.332 -3.786 -4.876 1.00 0.00 H new ATOM 53 N VAL A 5 -5.089 -4.124 -2.670 1.00 0.00 N ATOM 54 CA VAL A 5 -4.051 -3.685 -1.740 1.00 0.00 C ATOM 55 C VAL A 5 -4.498 -2.427 -1.002 1.00 0.00 C ATOM 56 O VAL A 5 -5.253 -1.613 -1.533 1.00 0.00 O ATOM 57 CB VAL A 5 -2.748 -3.389 -2.488 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.627 -3.128 -1.479 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.374 -4.590 -3.360 1.00 0.00 C ATOM 0 H VAL A 5 -5.112 -3.616 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.880 -4.488 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.885 -2.510 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.700 -2.917 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.890 -2.273 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.492 -4.008 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.446 -4.379 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.239 -5.469 -2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.170 -4.779 -4.080 1.00 0.00 H new ATOM 69 N VAL A 6 -4.021 -2.278 0.230 1.00 0.00 N ATOM 70 CA VAL A 6 -4.373 -1.117 1.038 1.00 0.00 C ATOM 71 C VAL A 6 -3.236 -0.779 1.999 1.00 0.00 C ATOM 72 O VAL A 6 -2.496 -1.656 2.444 1.00 0.00 O ATOM 73 CB VAL A 6 -5.649 -1.391 1.839 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.078 -0.122 2.578 1.00 0.00 C ATOM 75 CG2 VAL A 6 -6.763 -1.819 0.883 1.00 0.00 C ATOM 0 H VAL A 6 -3.395 -2.941 0.687 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.544 -0.274 0.369 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.458 -2.183 2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.986 -0.322 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.285 0.189 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.269 0.672 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.673 -2.015 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.949 -1.023 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.462 -2.724 0.355 1.00 0.00 H new ATOM 85 N ALA A 7 -3.111 0.505 2.315 1.00 0.00 N ATOM 86 CA ALA A 7 -2.065 0.958 3.227 1.00 0.00 C ATOM 87 C ALA A 7 -2.476 0.704 4.673 1.00 0.00 C ATOM 88 O ALA A 7 -3.559 1.100 5.104 1.00 0.00 O ATOM 89 CB ALA A 7 -1.799 2.452 3.040 1.00 0.00 C ATOM 0 H ALA A 7 -3.714 1.246 1.957 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.157 0.399 3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.016 2.771 3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.479 2.639 2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.712 3.012 3.243 1.00 0.00 H new ATOM 95 N ASN A 8 -1.599 0.036 5.418 1.00 0.00 N ATOM 96 CA ASN A 8 -1.882 -0.267 6.819 1.00 0.00 C ATOM 97 C ASN A 8 -1.060 0.632 7.739 1.00 0.00 C ATOM 98 O ASN A 8 -0.693 0.241 8.846 1.00 0.00 O ATOM 99 CB ASN A 8 -1.552 -1.729 7.127 1.00 0.00 C ATOM 100 CG ASN A 8 -2.348 -2.185 8.345 1.00 0.00 C ATOM 101 OD1 ASN A 8 -1.787 -2.374 9.425 1.00 0.00 O ATOM 102 ND2 ASN A 8 -3.634 -2.374 8.235 1.00 0.00 N ATOM 0 H ASN A 8 -0.698 -0.302 5.081 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.943 -0.089 6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.791 -2.356 6.268 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.484 -1.840 7.315 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.176 -2.679 9.044 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.098 -2.217 7.340 1.00 0.00 H new ATOM 109 N GLN A 9 -0.776 1.843 7.266 1.00 0.00 N ATOM 110 CA GLN A 9 0.003 2.796 8.051 1.00 0.00 C ATOM 111 C GLN A 9 0.135 4.115 7.295 1.00 0.00 C ATOM 112 O GLN A 9 -0.045 4.170 6.078 1.00 0.00 O ATOM 113 CB GLN A 9 1.405 2.238 8.340 1.00 0.00 C ATOM 114 CG GLN A 9 1.458 1.675 9.766 1.00 0.00 C ATOM 115 CD GLN A 9 2.809 2.002 10.396 1.00 0.00 C ATOM 116 OE1 GLN A 9 3.527 1.106 10.840 1.00 0.00 O ATOM 117 NE2 GLN A 9 3.201 3.244 10.461 1.00 0.00 N ATOM 0 H GLN A 9 -1.071 2.185 6.351 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.516 2.965 8.994 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.650 1.456 7.621 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.151 3.024 8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.653 2.100 10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.306 0.596 9.748 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.606 3.986 10.093 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.102 3.473 10.880 1.00 0.00 H new ATOM 126 N LEU A 10 0.451 5.177 8.029 1.00 0.00 N ATOM 127 CA LEU A 10 0.606 6.493 7.419 1.00 0.00 C ATOM 128 C LEU A 10 1.856 6.531 6.545 1.00 0.00 C ATOM 129 O LEU A 10 2.970 6.710 7.037 1.00 0.00 O ATOM 130 CB LEU A 10 0.717 7.575 8.495 1.00 0.00 C ATOM 131 CG LEU A 10 0.654 8.956 7.840 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.731 9.169 7.227 1.00 0.00 C ATOM 133 CD2 LEU A 10 0.914 10.031 8.897 1.00 0.00 C ATOM 0 H LEU A 10 0.604 5.154 9.037 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.274 6.683 6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.091 7.467 9.219 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.653 7.463 9.043 1.00 0.00 H new ATOM 0 HG LEU A 10 1.410 9.022 7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.775 10.153 6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.918 8.402 6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.489 9.103 8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.870 11.016 8.433 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.157 9.964 9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.901 9.880 9.334 1.00 0.00 H new ATOM 145 N ILE A 11 1.656 6.358 5.240 1.00 0.00 N ATOM 146 CA ILE A 11 2.770 6.371 4.297 1.00 0.00 C ATOM 147 C ILE A 11 3.026 7.804 3.800 1.00 0.00 C ATOM 148 O ILE A 11 2.195 8.363 3.085 1.00 0.00 O ATOM 149 CB ILE A 11 2.457 5.481 3.090 1.00 0.00 C ATOM 150 CG1 ILE A 11 2.053 4.082 3.567 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.696 5.370 2.198 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.067 3.468 2.572 1.00 0.00 C ATOM 0 H ILE A 11 0.741 6.208 4.815 1.00 0.00 H new ATOM 0 HA ILE A 11 3.654 5.994 4.810 1.00 0.00 H new ATOM 0 HB ILE A 11 1.637 5.924 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.935 3.449 3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.599 4.141 4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.471 4.736 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.984 6.362 1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.516 4.932 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.780 2.473 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.180 4.098 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.537 3.395 1.591 1.00 0.00 H new ATOM 164 N PRO A 12 4.167 8.423 4.161 1.00 0.00 N ATOM 165 CA PRO A 12 4.473 9.796 3.720 1.00 0.00 C ATOM 166 C PRO A 12 5.061 9.842 2.311 1.00 0.00 C ATOM 167 O PRO A 12 5.557 8.840 1.796 1.00 0.00 O ATOM 168 CB PRO A 12 5.502 10.249 4.749 1.00 0.00 C ATOM 169 CG PRO A 12 6.150 8.992 5.317 1.00 0.00 C ATOM 170 CD PRO A 12 5.213 7.817 5.019 1.00 0.00 C ATOM 0 HA PRO A 12 3.585 10.425 3.666 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.250 10.893 4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.026 10.829 5.540 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.128 8.827 4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.308 9.094 6.391 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.733 7.007 4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.791 7.398 5.932 1.00 0.00 H new ATOM 178 N ILE A 13 4.997 11.020 1.695 1.00 0.00 N ATOM 179 CA ILE A 13 5.525 11.193 0.345 1.00 0.00 C ATOM 180 C ILE A 13 7.045 11.019 0.339 1.00 0.00 C ATOM 181 O ILE A 13 7.711 11.221 1.355 1.00 0.00 O ATOM 182 CB ILE A 13 5.150 12.582 -0.199 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.613 12.699 -1.655 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.808 13.678 0.649 1.00 0.00 C ATOM 185 CD1 ILE A 13 5.168 14.043 -2.237 1.00 0.00 C ATOM 0 H ILE A 13 4.589 11.861 2.104 1.00 0.00 H new ATOM 0 HA ILE A 13 5.085 10.432 -0.299 1.00 0.00 H new ATOM 0 HB ILE A 13 4.068 12.707 -0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.698 12.611 -1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.197 11.882 -2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.535 14.657 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.466 13.595 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.891 13.563 0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.501 14.119 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.081 14.114 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.605 14.854 -1.655 1.00 0.00 H new ATOM 197 N ASN A 14 7.582 10.640 -0.818 1.00 0.00 N ATOM 198 CA ASN A 14 9.024 10.439 -0.955 1.00 0.00 C ATOM 199 C ASN A 14 9.506 9.352 0.002 1.00 0.00 C ATOM 200 O ASN A 14 10.626 9.404 0.511 1.00 0.00 O ATOM 201 CB ASN A 14 9.779 11.737 -0.658 1.00 0.00 C ATOM 202 CG ASN A 14 9.441 12.777 -1.720 1.00 0.00 C ATOM 203 OD1 ASN A 14 9.037 13.894 -1.397 1.00 0.00 O ATOM 204 ND2 ASN A 14 9.582 12.473 -2.981 1.00 0.00 N ATOM 0 H ASN A 14 7.046 10.467 -1.669 1.00 0.00 H new ATOM 0 HA ASN A 14 9.223 10.132 -1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.508 12.110 0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.853 11.551 -0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.357 13.161 -3.700 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.917 11.547 -3.248 1.00 0.00 H new ATOM 211 N THR A 15 8.647 8.366 0.241 1.00 0.00 N ATOM 212 CA THR A 15 8.991 7.267 1.139 1.00 0.00 C ATOM 213 C THR A 15 8.684 5.926 0.483 1.00 0.00 C ATOM 214 O THR A 15 7.747 5.805 -0.307 1.00 0.00 O ATOM 215 CB THR A 15 8.203 7.376 2.446 1.00 0.00 C ATOM 216 OG1 THR A 15 8.286 8.705 2.938 1.00 0.00 O ATOM 217 CG2 THR A 15 8.786 6.409 3.478 1.00 0.00 C ATOM 0 H THR A 15 7.716 8.304 -0.170 1.00 0.00 H new ATOM 0 HA THR A 15 10.058 7.330 1.353 1.00 0.00 H new ATOM 0 HB THR A 15 7.159 7.121 2.263 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.914 8.737 3.690 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.224 6.488 4.409 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.720 5.389 3.099 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.830 6.660 3.663 1.00 0.00 H new ATOM 225 N ALA A 16 9.485 4.918 0.819 1.00 0.00 N ATOM 226 CA ALA A 16 9.292 3.584 0.258 1.00 0.00 C ATOM 227 C ALA A 16 8.197 2.841 1.016 1.00 0.00 C ATOM 228 O ALA A 16 7.915 3.137 2.177 1.00 0.00 O ATOM 229 CB ALA A 16 10.589 2.776 0.338 1.00 0.00 C ATOM 0 H ALA A 16 10.266 4.998 1.470 1.00 0.00 H new ATOM 0 HA ALA A 16 8.999 3.698 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.427 1.784 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.371 3.286 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.895 2.681 1.380 1.00 0.00 H new ATOM 235 N LEU A 17 7.583 1.872 0.344 1.00 0.00 N ATOM 236 CA LEU A 17 6.516 1.088 0.962 1.00 0.00 C ATOM 237 C LEU A 17 7.095 -0.135 1.665 1.00 0.00 C ATOM 238 O LEU A 17 8.270 -0.465 1.503 1.00 0.00 O ATOM 239 CB LEU A 17 5.510 0.626 -0.094 1.00 0.00 C ATOM 240 CG LEU A 17 4.815 1.843 -0.705 1.00 0.00 C ATOM 241 CD1 LEU A 17 4.135 1.441 -2.014 1.00 0.00 C ATOM 242 CD2 LEU A 17 3.763 2.371 0.273 1.00 0.00 C ATOM 0 H LEU A 17 7.802 1.612 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 17 6.011 1.722 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.019 0.056 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.773 -0.038 0.357 1.00 0.00 H new ATOM 0 HG LEU A 17 5.553 2.620 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.640 2.309 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.883 1.063 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.397 0.664 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.266 3.239 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.026 1.592 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.246 2.659 1.207 1.00 0.00 H new ATOM 254 N THR A 18 6.253 -0.806 2.446 1.00 0.00 N ATOM 255 CA THR A 18 6.688 -1.996 3.172 1.00 0.00 C ATOM 256 C THR A 18 5.520 -2.958 3.363 1.00 0.00 C ATOM 257 O THR A 18 4.357 -2.582 3.215 1.00 0.00 O ATOM 258 CB THR A 18 7.246 -1.611 4.545 1.00 0.00 C ATOM 259 OG1 THR A 18 6.548 -0.476 5.038 1.00 0.00 O ATOM 260 CG2 THR A 18 8.734 -1.284 4.419 1.00 0.00 C ATOM 0 H THR A 18 5.276 -0.550 2.592 1.00 0.00 H new ATOM 0 HA THR A 18 7.468 -2.482 2.586 1.00 0.00 H new ATOM 0 HB THR A 18 7.117 -2.444 5.236 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.903 -0.230 5.918 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.130 -1.010 5.397 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.268 -2.157 4.043 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.866 -0.452 3.728 1.00 0.00 H new ATOM 268 N LEU A 19 5.843 -4.205 3.694 1.00 0.00 N ATOM 269 CA LEU A 19 4.812 -5.217 3.906 1.00 0.00 C ATOM 270 C LEU A 19 3.912 -4.824 5.072 1.00 0.00 C ATOM 271 O LEU A 19 2.717 -5.122 5.083 1.00 0.00 O ATOM 272 CB LEU A 19 5.448 -6.576 4.202 1.00 0.00 C ATOM 273 CG LEU A 19 5.794 -7.276 2.886 1.00 0.00 C ATOM 274 CD1 LEU A 19 7.224 -6.919 2.478 1.00 0.00 C ATOM 275 CD2 LEU A 19 5.681 -8.791 3.070 1.00 0.00 C ATOM 0 H LEU A 19 6.799 -4.537 3.820 1.00 0.00 H new ATOM 0 HA LEU A 19 4.217 -5.287 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.347 -6.445 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.762 -7.191 4.784 1.00 0.00 H new ATOM 0 HG LEU A 19 5.102 -6.950 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.470 -7.418 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.307 -5.840 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.916 -7.244 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.927 -9.291 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.373 -9.116 3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.662 -9.047 3.361 1.00 0.00 H new ATOM 287 N VAL A 20 4.501 -4.148 6.056 1.00 0.00 N ATOM 288 CA VAL A 20 3.745 -3.713 7.228 1.00 0.00 C ATOM 289 C VAL A 20 2.664 -2.714 6.824 1.00 0.00 C ATOM 290 O VAL A 20 1.602 -2.642 7.442 1.00 0.00 O ATOM 291 CB VAL A 20 4.673 -3.057 8.254 1.00 0.00 C ATOM 292 CG1 VAL A 20 3.900 -2.790 9.548 1.00 0.00 C ATOM 293 CG2 VAL A 20 5.849 -3.990 8.551 1.00 0.00 C ATOM 0 H VAL A 20 5.488 -3.892 6.066 1.00 0.00 H new ATOM 0 HA VAL A 20 3.280 -4.593 7.673 1.00 0.00 H new ATOM 0 HB VAL A 20 5.046 -2.115 7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.562 -2.323 10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.062 -2.125 9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.525 -3.732 9.949 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.509 -3.522 9.281 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.474 -4.932 8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.403 -4.181 7.632 1.00 0.00 H new ATOM 303 N MET A 21 2.947 -1.941 5.777 1.00 0.00 N ATOM 304 CA MET A 21 1.992 -0.945 5.297 1.00 0.00 C ATOM 305 C MET A 21 1.221 -1.478 4.092 1.00 0.00 C ATOM 306 O MET A 21 0.829 -0.722 3.204 1.00 0.00 O ATOM 307 CB MET A 21 2.713 0.344 4.893 1.00 0.00 C ATOM 308 CG MET A 21 3.628 0.802 6.033 1.00 0.00 C ATOM 309 SD MET A 21 3.734 2.609 6.043 1.00 0.00 S ATOM 310 CE MET A 21 5.032 2.766 4.792 1.00 0.00 C ATOM 0 H MET A 21 3.819 -1.984 5.250 1.00 0.00 H new ATOM 0 HA MET A 21 1.297 -0.733 6.110 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.298 0.177 3.989 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.985 1.122 4.662 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.241 0.446 6.988 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.621 0.371 5.910 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.224 3.821 4.597 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.945 2.292 5.153 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.711 2.279 3.871 1.00 0.00 H new ATOM 320 N MET A 22 1.008 -2.792 4.072 1.00 0.00 N ATOM 321 CA MET A 22 0.282 -3.418 2.970 1.00 0.00 C ATOM 322 C MET A 22 -0.457 -4.660 3.460 1.00 0.00 C ATOM 323 O MET A 22 0.071 -5.444 4.248 1.00 0.00 O ATOM 324 CB MET A 22 1.245 -3.820 1.852 1.00 0.00 C ATOM 325 CG MET A 22 1.721 -2.567 1.113 1.00 0.00 C ATOM 326 SD MET A 22 2.080 -2.979 -0.613 1.00 0.00 S ATOM 327 CE MET A 22 3.295 -4.282 -0.289 1.00 0.00 C ATOM 0 H MET A 22 1.323 -3.437 4.797 1.00 0.00 H new ATOM 0 HA MET A 22 -0.436 -2.694 2.585 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.098 -4.356 2.268 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.750 -4.499 1.158 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.956 -1.792 1.161 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.613 -2.165 1.594 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.104 -4.214 -1.016 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.699 -4.161 0.716 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.814 -5.257 -0.372 1.00 0.00 H new ATOM 337 N ARG A 23 -1.687 -4.830 2.982 1.00 0.00 N ATOM 338 CA ARG A 23 -2.494 -5.982 3.375 1.00 0.00 C ATOM 339 C ARG A 23 -3.605 -6.225 2.359 1.00 0.00 C ATOM 340 O ARG A 23 -3.929 -5.355 1.550 1.00 0.00 O ATOM 341 CB ARG A 23 -3.119 -5.751 4.753 1.00 0.00 C ATOM 342 CG ARG A 23 -3.883 -4.426 4.752 1.00 0.00 C ATOM 343 CD ARG A 23 -5.022 -4.493 5.771 1.00 0.00 C ATOM 344 NE ARG A 23 -5.752 -3.228 5.812 1.00 0.00 N ATOM 345 CZ ARG A 23 -7.055 -3.196 6.074 1.00 0.00 C ATOM 346 NH1 ARG A 23 -7.500 -3.629 7.222 1.00 0.00 N ATOM 347 NH2 ARG A 23 -7.889 -2.734 5.184 1.00 0.00 N ATOM 0 H ARG A 23 -2.143 -4.193 2.329 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.841 -6.854 3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.793 -6.571 5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.343 -5.735 5.518 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.209 -3.605 4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.282 -4.225 3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.703 -5.303 5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.620 -4.719 6.759 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.254 -2.355 5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.848 -3.992 7.918 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.500 -3.605 7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.542 -2.397 4.286 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.889 -2.710 5.386 1.00 0.00 H new ATOM 361 N SER A 24 -4.186 -7.420 2.412 1.00 0.00 N ATOM 362 CA SER A 24 -5.264 -7.774 1.492 1.00 0.00 C ATOM 363 C SER A 24 -6.616 -7.402 2.089 1.00 0.00 C ATOM 364 O SER A 24 -6.905 -7.704 3.247 1.00 0.00 O ATOM 365 CB SER A 24 -5.245 -9.274 1.197 1.00 0.00 C ATOM 366 OG SER A 24 -3.923 -9.667 0.849 1.00 0.00 O ATOM 0 H SER A 24 -3.933 -8.153 3.074 1.00 0.00 H new ATOM 0 HA SER A 24 -5.111 -7.221 0.565 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.585 -9.832 2.069 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.932 -9.505 0.383 1.00 0.00 H new ATOM 0 HG SER A 24 -3.906 -10.629 0.661 1.00 0.00 H new ATOM 372 N GLU A 25 -7.443 -6.742 1.284 1.00 0.00 N ATOM 373 CA GLU A 25 -8.769 -6.330 1.738 1.00 0.00 C ATOM 374 C GLU A 25 -9.621 -5.880 0.557 1.00 0.00 C ATOM 375 O GLU A 25 -9.153 -5.161 -0.327 1.00 0.00 O ATOM 376 CB GLU A 25 -8.658 -5.181 2.741 1.00 0.00 C ATOM 377 CG GLU A 25 -10.028 -4.915 3.367 1.00 0.00 C ATOM 378 CD GLU A 25 -10.389 -6.060 4.308 1.00 0.00 C ATOM 379 OE1 GLU A 25 -9.606 -6.333 5.204 1.00 0.00 O ATOM 380 OE2 GLU A 25 -11.441 -6.646 4.119 1.00 0.00 O ATOM 0 H GLU A 25 -7.222 -6.482 0.323 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.241 -7.187 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.934 -5.430 3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.294 -4.283 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.013 -3.972 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.783 -4.819 2.587 1.00 0.00 H new ATOM 387 N VAL A 26 -10.880 -6.310 0.552 1.00 0.00 N ATOM 388 CA VAL A 26 -11.795 -5.945 -0.526 1.00 0.00 C ATOM 389 C VAL A 26 -12.203 -4.480 -0.402 1.00 0.00 C ATOM 390 O VAL A 26 -12.905 -4.092 0.532 1.00 0.00 O ATOM 391 CB VAL A 26 -13.052 -6.819 -0.485 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.900 -6.556 -1.731 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.648 -8.295 -0.449 1.00 0.00 C ATOM 0 H VAL A 26 -11.287 -6.905 1.274 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.278 -6.101 -1.473 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.630 -6.577 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.794 -7.179 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.190 -5.506 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.321 -6.796 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.543 -8.917 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.068 -8.535 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.045 -8.486 0.439 1.00 0.00 H new ATOM 403 N VAL A 27 -11.753 -3.670 -1.357 1.00 0.00 N ATOM 404 CA VAL A 27 -12.075 -2.246 -1.348 1.00 0.00 C ATOM 405 C VAL A 27 -12.325 -1.749 -2.769 1.00 0.00 C ATOM 406 O VAL A 27 -11.801 -2.300 -3.736 1.00 0.00 O ATOM 407 CB VAL A 27 -10.927 -1.442 -0.735 1.00 0.00 C ATOM 408 CG1 VAL A 27 -10.784 -1.802 0.745 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.625 -1.774 -1.467 1.00 0.00 C ATOM 0 H VAL A 27 -11.171 -3.971 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.975 -2.108 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.138 -0.377 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.966 -1.229 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.711 -1.567 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.573 -2.867 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.806 -1.202 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.415 -2.839 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.725 -1.518 -2.522 1.00 0.00 H new ATOM 419 N THR A 28 -13.132 -0.698 -2.883 1.00 0.00 N ATOM 420 CA THR A 28 -13.446 -0.130 -4.191 1.00 0.00 C ATOM 421 C THR A 28 -12.871 1.288 -4.307 1.00 0.00 C ATOM 422 O THR A 28 -12.845 2.028 -3.324 1.00 0.00 O ATOM 423 CB THR A 28 -14.961 -0.073 -4.401 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.243 0.602 -5.619 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.612 0.678 -3.238 1.00 0.00 C ATOM 0 H THR A 28 -13.576 -0.226 -2.095 1.00 0.00 H new ATOM 0 HA THR A 28 -13.000 -0.769 -4.953 1.00 0.00 H new ATOM 0 HB THR A 28 -15.360 -1.086 -4.445 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.213 0.638 -5.756 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.691 0.718 -3.389 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.395 0.160 -2.304 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.215 1.692 -3.192 1.00 0.00 H new ATOM 433 N PRO A 29 -12.401 1.690 -5.502 1.00 0.00 N ATOM 434 CA PRO A 29 -12.404 0.848 -6.722 1.00 0.00 C ATOM 435 C PRO A 29 -11.246 -0.147 -6.748 1.00 0.00 C ATOM 436 O PRO A 29 -10.192 0.089 -6.157 1.00 0.00 O ATOM 437 CB PRO A 29 -12.258 1.881 -7.831 1.00 0.00 C ATOM 438 CG PRO A 29 -11.600 3.109 -7.212 1.00 0.00 C ATOM 439 CD PRO A 29 -11.826 3.036 -5.698 1.00 0.00 C ATOM 0 HA PRO A 29 -13.297 0.228 -6.803 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.651 1.488 -8.647 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.231 2.135 -8.252 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.534 3.130 -7.440 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.031 4.023 -7.621 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.894 3.159 -5.146 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.505 3.817 -5.355 1.00 0.00 H new ATOM 447 N VAL A 30 -11.457 -1.264 -7.439 1.00 0.00 N ATOM 448 CA VAL A 30 -10.426 -2.294 -7.537 1.00 0.00 C ATOM 449 C VAL A 30 -9.172 -1.733 -8.212 1.00 0.00 C ATOM 450 O VAL A 30 -9.183 -1.398 -9.397 1.00 0.00 O ATOM 451 CB VAL A 30 -10.956 -3.503 -8.327 1.00 0.00 C ATOM 452 CG1 VAL A 30 -11.319 -3.080 -9.755 1.00 0.00 C ATOM 453 CG2 VAL A 30 -9.890 -4.603 -8.376 1.00 0.00 C ATOM 0 H VAL A 30 -12.322 -1.478 -7.934 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.164 -2.618 -6.530 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.847 -3.885 -7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.693 -3.943 -10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.089 -2.309 -9.722 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.433 -2.687 -10.254 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.273 -5.456 -8.937 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.994 -4.220 -8.864 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.644 -4.917 -7.362 1.00 0.00 H new ATOM 463 N GLY A 31 -8.093 -1.638 -7.440 1.00 0.00 N ATOM 464 CA GLY A 31 -6.835 -1.119 -7.967 1.00 0.00 C ATOM 465 C GLY A 31 -5.851 -2.257 -8.223 1.00 0.00 C ATOM 466 O GLY A 31 -6.064 -3.095 -9.099 1.00 0.00 O ATOM 0 H GLY A 31 -8.064 -1.910 -6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.019 -0.575 -8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.404 -0.410 -7.261 1.00 0.00 H new ATOM 470 N ILE A 32 -4.773 -2.276 -7.446 1.00 0.00 N ATOM 471 CA ILE A 32 -3.760 -3.318 -7.591 1.00 0.00 C ATOM 472 C ILE A 32 -4.186 -4.576 -6.819 1.00 0.00 C ATOM 473 O ILE A 32 -4.718 -4.470 -5.715 1.00 0.00 O ATOM 474 CB ILE A 32 -2.412 -2.826 -7.056 1.00 0.00 C ATOM 475 CG1 ILE A 32 -2.047 -1.504 -7.738 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.328 -3.864 -7.351 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.862 -0.862 -7.014 1.00 0.00 C ATOM 0 H ILE A 32 -4.578 -1.590 -6.717 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.659 -3.558 -8.649 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.485 -2.677 -5.979 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.795 -1.680 -8.784 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.903 -0.829 -7.726 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.371 -3.509 -6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.585 -4.806 -6.867 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.254 -4.017 -8.428 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.604 0.078 -7.501 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.131 -0.671 -5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.006 -1.536 -7.049 1.00 0.00 H new ATOM 489 N PRO A 33 -3.970 -5.780 -7.380 1.00 0.00 N ATOM 490 CA PRO A 33 -4.360 -7.031 -6.701 1.00 0.00 C ATOM 491 C PRO A 33 -3.342 -7.484 -5.657 1.00 0.00 C ATOM 492 O PRO A 33 -2.211 -6.999 -5.617 1.00 0.00 O ATOM 493 CB PRO A 33 -4.428 -8.022 -7.856 1.00 0.00 C ATOM 494 CG PRO A 33 -3.535 -7.480 -8.965 1.00 0.00 C ATOM 495 CD PRO A 33 -3.335 -5.984 -8.705 1.00 0.00 C ATOM 0 HA PRO A 33 -5.289 -6.927 -6.141 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.091 -9.008 -7.537 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.454 -8.134 -8.208 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.577 -7.999 -8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.994 -7.642 -9.940 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.279 -5.716 -8.690 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.808 -5.375 -9.476 1.00 0.00 H new ATOM 503 N ALA A 34 -3.762 -8.423 -4.812 1.00 0.00 N ATOM 504 CA ALA A 34 -2.889 -8.946 -3.763 1.00 0.00 C ATOM 505 C ALA A 34 -1.721 -9.746 -4.354 1.00 0.00 C ATOM 506 O ALA A 34 -0.756 -10.055 -3.654 1.00 0.00 O ATOM 507 CB ALA A 34 -3.679 -9.853 -2.819 1.00 0.00 C ATOM 0 H ALA A 34 -4.695 -8.835 -4.832 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.491 -8.092 -3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.016 -10.236 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.487 -9.284 -2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.098 -10.687 -3.382 1.00 0.00 H new ATOM 513 N GLU A 35 -1.812 -10.084 -5.639 1.00 0.00 N ATOM 514 CA GLU A 35 -0.749 -10.850 -6.286 1.00 0.00 C ATOM 515 C GLU A 35 0.524 -10.013 -6.461 1.00 0.00 C ATOM 516 O GLU A 35 1.574 -10.543 -6.821 1.00 0.00 O ATOM 517 CB GLU A 35 -1.209 -11.338 -7.660 1.00 0.00 C ATOM 518 CG GLU A 35 -2.467 -12.195 -7.502 1.00 0.00 C ATOM 519 CD GLU A 35 -2.998 -12.578 -8.880 1.00 0.00 C ATOM 520 OE1 GLU A 35 -3.322 -11.678 -9.639 1.00 0.00 O ATOM 521 OE2 GLU A 35 -3.075 -13.763 -9.156 1.00 0.00 O ATOM 0 H GLU A 35 -2.597 -9.844 -6.244 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.525 -11.700 -5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.415 -10.487 -8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.418 -11.918 -8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.239 -13.092 -6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.227 -11.645 -6.947 1.00 0.00 H new ATOM 528 N ASP A 36 0.432 -8.702 -6.215 1.00 0.00 N ATOM 529 CA ASP A 36 1.599 -7.834 -6.368 1.00 0.00 C ATOM 530 C ASP A 36 2.018 -7.228 -5.031 1.00 0.00 C ATOM 531 O ASP A 36 2.593 -6.140 -4.983 1.00 0.00 O ATOM 532 CB ASP A 36 1.298 -6.703 -7.353 1.00 0.00 C ATOM 533 CG ASP A 36 0.822 -7.293 -8.676 1.00 0.00 C ATOM 534 OD1 ASP A 36 -0.371 -7.512 -8.809 1.00 0.00 O ATOM 535 OD2 ASP A 36 1.657 -7.518 -9.536 1.00 0.00 O ATOM 0 H ASP A 36 -0.420 -8.228 -5.915 1.00 0.00 H new ATOM 0 HA ASP A 36 2.415 -8.449 -6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.535 -6.042 -6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.191 -6.098 -7.513 1.00 0.00 H new ATOM 540 N ILE A 37 1.740 -7.945 -3.947 1.00 0.00 N ATOM 541 CA ILE A 37 2.113 -7.466 -2.618 1.00 0.00 C ATOM 542 C ILE A 37 3.642 -7.535 -2.419 1.00 0.00 C ATOM 543 O ILE A 37 4.240 -6.567 -1.950 1.00 0.00 O ATOM 544 CB ILE A 37 1.399 -8.282 -1.527 1.00 0.00 C ATOM 545 CG1 ILE A 37 -0.113 -8.106 -1.679 1.00 0.00 C ATOM 546 CG2 ILE A 37 1.815 -7.792 -0.134 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.834 -9.283 -1.021 1.00 0.00 C ATOM 0 H ILE A 37 1.265 -8.847 -3.959 1.00 0.00 H new ATOM 0 HA ILE A 37 1.800 -6.425 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 37 1.674 -9.331 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.429 -7.170 -1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.378 -8.048 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.301 -8.379 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.892 -7.907 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.548 -6.741 -0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.911 -9.157 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.527 -10.212 -1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.578 -9.320 0.038 1.00 0.00 H new ATOM 559 N PRO A 38 4.305 -8.658 -2.770 1.00 0.00 N ATOM 560 CA PRO A 38 5.769 -8.765 -2.603 1.00 0.00 C ATOM 561 C PRO A 38 6.543 -8.018 -3.689 1.00 0.00 C ATOM 562 O PRO A 38 7.702 -7.647 -3.501 1.00 0.00 O ATOM 563 CB PRO A 38 6.006 -10.266 -2.704 1.00 0.00 C ATOM 564 CG PRO A 38 4.838 -10.849 -3.485 1.00 0.00 C ATOM 565 CD PRO A 38 3.670 -9.870 -3.347 1.00 0.00 C ATOM 0 HA PRO A 38 6.114 -8.320 -1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.950 -10.474 -3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.069 -10.714 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.105 -10.985 -4.533 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.566 -11.830 -3.096 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.205 -9.660 -4.310 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.890 -10.264 -2.696 1.00 0.00 H new ATOM 573 N ARG A 39 5.889 -7.800 -4.829 1.00 0.00 N ATOM 574 CA ARG A 39 6.524 -7.092 -5.937 1.00 0.00 C ATOM 575 C ARG A 39 6.512 -5.582 -5.697 1.00 0.00 C ATOM 576 O ARG A 39 7.343 -4.850 -6.237 1.00 0.00 O ATOM 577 CB ARG A 39 5.795 -7.390 -7.249 1.00 0.00 C ATOM 578 CG ARG A 39 6.202 -8.775 -7.756 1.00 0.00 C ATOM 579 CD ARG A 39 5.814 -8.913 -9.229 1.00 0.00 C ATOM 580 NE ARG A 39 5.557 -10.310 -9.566 1.00 0.00 N ATOM 581 CZ ARG A 39 4.399 -10.684 -10.104 1.00 0.00 C ATOM 582 NH1 ARG A 39 3.376 -10.942 -9.336 1.00 0.00 N ATOM 583 NH2 ARG A 39 4.286 -10.792 -11.399 1.00 0.00 N ATOM 0 H ARG A 39 4.931 -8.100 -5.008 1.00 0.00 H new ATOM 0 HA ARG A 39 7.556 -7.438 -6.003 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.717 -7.350 -7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.039 -6.632 -7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.276 -8.916 -7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.711 -9.549 -7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.926 -8.315 -9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.613 -8.523 -9.859 1.00 0.00 H new ATOM 0 HE ARG A 39 6.276 -11.010 -9.386 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.464 -10.857 -8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.488 -11.229 -9.748 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.085 -10.590 -11.999 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.398 -11.079 -11.811 1.00 0.00 H new ATOM 597 N LEU A 40 5.560 -5.119 -4.886 1.00 0.00 N ATOM 598 CA LEU A 40 5.452 -3.691 -4.591 1.00 0.00 C ATOM 599 C LEU A 40 6.136 -3.356 -3.266 1.00 0.00 C ATOM 600 O LEU A 40 5.678 -2.492 -2.516 1.00 0.00 O ATOM 601 CB LEU A 40 3.981 -3.275 -4.512 1.00 0.00 C ATOM 602 CG LEU A 40 3.317 -3.484 -5.873 1.00 0.00 C ATOM 603 CD1 LEU A 40 1.803 -3.609 -5.690 1.00 0.00 C ATOM 604 CD2 LEU A 40 3.623 -2.288 -6.776 1.00 0.00 C ATOM 0 H LEU A 40 4.861 -5.704 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 40 5.945 -3.146 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.467 -3.862 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.903 -2.229 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 40 3.703 -4.395 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.330 -3.758 -6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.583 -4.460 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.415 -2.698 -5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.150 -2.435 -7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.236 -1.378 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.701 -2.198 -6.907 1.00 0.00 H new ATOM 616 N VAL A 41 7.240 -4.042 -2.986 1.00 0.00 N ATOM 617 CA VAL A 41 7.978 -3.802 -1.749 1.00 0.00 C ATOM 618 C VAL A 41 9.034 -2.721 -1.966 1.00 0.00 C ATOM 619 O VAL A 41 9.726 -2.704 -2.984 1.00 0.00 O ATOM 620 CB VAL A 41 8.662 -5.086 -1.271 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.293 -4.855 0.104 1.00 0.00 C ATOM 622 CG2 VAL A 41 7.625 -6.208 -1.169 1.00 0.00 C ATOM 0 H VAL A 41 7.640 -4.760 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 41 7.269 -3.472 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 41 9.438 -5.366 -1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.778 -5.771 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.032 -4.057 0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.518 -4.572 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.111 -7.123 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.849 -5.923 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.176 -6.378 -2.147 1.00 0.00 H new ATOM 632 N SER A 42 9.147 -1.817 -0.994 1.00 0.00 N ATOM 633 CA SER A 42 10.120 -0.725 -1.071 1.00 0.00 C ATOM 634 C SER A 42 9.913 0.099 -2.345 1.00 0.00 C ATOM 635 O SER A 42 10.865 0.430 -3.053 1.00 0.00 O ATOM 636 CB SER A 42 11.550 -1.277 -1.039 1.00 0.00 C ATOM 637 OG SER A 42 11.913 -1.747 -2.331 1.00 0.00 O ATOM 0 H SER A 42 8.580 -1.818 -0.146 1.00 0.00 H new ATOM 0 HA SER A 42 9.968 -0.078 -0.207 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.243 -0.500 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.621 -2.088 -0.314 1.00 0.00 H new ATOM 0 HG SER A 42 11.232 -2.372 -2.655 1.00 0.00 H new ATOM 643 N MET A 43 8.655 0.426 -2.625 1.00 0.00 N ATOM 644 CA MET A 43 8.328 1.212 -3.812 1.00 0.00 C ATOM 645 C MET A 43 8.010 2.653 -3.427 1.00 0.00 C ATOM 646 O MET A 43 7.386 2.912 -2.398 1.00 0.00 O ATOM 647 CB MET A 43 7.123 0.613 -4.539 1.00 0.00 C ATOM 648 CG MET A 43 7.577 -0.573 -5.392 1.00 0.00 C ATOM 649 SD MET A 43 6.496 -0.730 -6.835 1.00 0.00 S ATOM 650 CE MET A 43 7.383 0.424 -7.911 1.00 0.00 C ATOM 0 H MET A 43 7.852 0.163 -2.053 1.00 0.00 H new ATOM 0 HA MET A 43 9.194 1.195 -4.473 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.374 0.289 -3.817 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.653 1.368 -5.169 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.609 -0.430 -5.712 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.550 -1.490 -4.803 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.781 0.634 -8.795 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.572 1.352 -7.372 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.332 -0.018 -8.215 1.00 0.00 H new ATOM 660 N GLN A 44 8.443 3.588 -4.268 1.00 0.00 N ATOM 661 CA GLN A 44 8.200 5.004 -4.008 1.00 0.00 C ATOM 662 C GLN A 44 6.878 5.440 -4.633 1.00 0.00 C ATOM 663 O GLN A 44 6.562 5.081 -5.768 1.00 0.00 O ATOM 664 CB GLN A 44 9.330 5.857 -4.589 1.00 0.00 C ATOM 665 CG GLN A 44 10.657 5.451 -3.945 1.00 0.00 C ATOM 666 CD GLN A 44 11.765 6.377 -4.436 1.00 0.00 C ATOM 667 OE1 GLN A 44 12.208 7.267 -3.709 1.00 0.00 O ATOM 668 NE2 GLN A 44 12.246 6.219 -5.639 1.00 0.00 N ATOM 0 H GLN A 44 8.959 3.394 -5.127 1.00 0.00 H new ATOM 0 HA GLN A 44 8.157 5.145 -2.928 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.382 5.724 -5.670 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.133 6.914 -4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.578 5.505 -2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.894 4.417 -4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.880 5.482 -6.242 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.988 6.832 -5.976 1.00 0.00 H new ATOM 677 N VAL A 45 6.108 6.217 -3.877 1.00 0.00 N ATOM 678 CA VAL A 45 4.818 6.700 -4.363 1.00 0.00 C ATOM 679 C VAL A 45 4.949 8.123 -4.897 1.00 0.00 C ATOM 680 O VAL A 45 6.018 8.730 -4.829 1.00 0.00 O ATOM 681 CB VAL A 45 3.782 6.681 -3.238 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.507 5.236 -2.821 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.320 7.465 -2.039 1.00 0.00 C ATOM 0 H VAL A 45 6.351 6.524 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 45 4.492 6.040 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 45 2.857 7.139 -3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.769 5.223 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.125 4.677 -3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.431 4.776 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.583 7.453 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.245 7.006 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.516 8.495 -2.336 1.00 0.00 H new ATOM 693 N ASN A 46 3.850 8.646 -5.432 1.00 0.00 N ATOM 694 CA ASN A 46 3.853 10.002 -5.978 1.00 0.00 C ATOM 695 C ASN A 46 3.385 11.007 -4.928 1.00 0.00 C ATOM 696 O ASN A 46 3.881 12.132 -4.861 1.00 0.00 O ATOM 697 CB ASN A 46 2.941 10.092 -7.206 1.00 0.00 C ATOM 698 CG ASN A 46 1.523 9.661 -6.832 1.00 0.00 C ATOM 699 OD1 ASN A 46 1.231 8.468 -6.750 1.00 0.00 O ATOM 700 ND2 ASN A 46 0.619 10.572 -6.602 1.00 0.00 N ATOM 0 H ASN A 46 2.956 8.160 -5.500 1.00 0.00 H new ATOM 0 HA ASN A 46 4.875 10.240 -6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.931 11.112 -7.589 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.326 9.456 -8.003 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.331 10.296 -6.354 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.862 11.560 -6.670 1.00 0.00 H new ATOM 707 N ARG A 47 2.423 10.589 -4.110 1.00 0.00 N ATOM 708 CA ARG A 47 1.892 11.462 -3.067 1.00 0.00 C ATOM 709 C ARG A 47 1.770 10.707 -1.747 1.00 0.00 C ATOM 710 O ARG A 47 2.146 9.540 -1.644 1.00 0.00 O ATOM 711 CB ARG A 47 0.515 12.000 -3.467 1.00 0.00 C ATOM 712 CG ARG A 47 -0.427 10.833 -3.769 1.00 0.00 C ATOM 713 CD ARG A 47 -1.647 11.346 -4.536 1.00 0.00 C ATOM 714 NE ARG A 47 -2.664 11.842 -3.613 1.00 0.00 N ATOM 715 CZ ARG A 47 -3.911 11.379 -3.653 1.00 0.00 C ATOM 716 NH1 ARG A 47 -4.583 11.413 -4.772 1.00 0.00 N ATOM 717 NH2 ARG A 47 -4.460 10.890 -2.576 1.00 0.00 N ATOM 0 H ARG A 47 1.999 9.662 -4.148 1.00 0.00 H new ATOM 0 HA ARG A 47 2.584 12.295 -2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.105 12.612 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.605 12.643 -4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.092 10.075 -4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.742 10.357 -2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.347 12.143 -5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.063 10.545 -5.147 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.415 12.554 -2.927 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.152 11.794 -5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.539 11.058 -4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.934 10.862 -1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.416 10.535 -2.607 1.00 0.00 H new ATOM 731 N ALA A 48 1.238 11.389 -0.736 1.00 0.00 N ATOM 732 CA ALA A 48 1.069 10.778 0.580 1.00 0.00 C ATOM 733 C ALA A 48 -0.100 9.797 0.566 1.00 0.00 C ATOM 734 O ALA A 48 -1.235 10.166 0.272 1.00 0.00 O ATOM 735 CB ALA A 48 0.807 11.850 1.639 1.00 0.00 C ATOM 0 H ALA A 48 0.919 12.356 -0.801 1.00 0.00 H new ATOM 0 HA ALA A 48 1.988 10.245 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.684 11.377 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.650 12.540 1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.100 12.399 1.385 1.00 0.00 H new ATOM 741 N VAL A 49 0.196 8.541 0.890 1.00 0.00 N ATOM 742 CA VAL A 49 -0.834 7.506 0.916 1.00 0.00 C ATOM 743 C VAL A 49 -1.206 7.166 2.367 1.00 0.00 C ATOM 744 O VAL A 49 -0.472 6.442 3.038 1.00 0.00 O ATOM 745 CB VAL A 49 -0.331 6.235 0.223 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.479 5.231 0.098 1.00 0.00 C ATOM 747 CG2 VAL A 49 0.189 6.586 -1.173 1.00 0.00 C ATOM 0 H VAL A 49 1.131 8.217 1.136 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.710 7.885 0.390 1.00 0.00 H new ATOM 0 HB VAL A 49 0.474 5.796 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.120 4.328 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.852 4.979 1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.284 5.670 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.547 5.682 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.616 7.026 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.008 7.301 -1.087 1.00 0.00 H new ATOM 757 N PRO A 50 -2.342 7.676 2.878 1.00 0.00 N ATOM 758 CA PRO A 50 -2.759 7.393 4.265 1.00 0.00 C ATOM 759 C PRO A 50 -3.409 6.020 4.416 1.00 0.00 C ATOM 760 O PRO A 50 -3.594 5.292 3.441 1.00 0.00 O ATOM 761 CB PRO A 50 -3.765 8.505 4.541 1.00 0.00 C ATOM 762 CG PRO A 50 -4.298 8.968 3.191 1.00 0.00 C ATOM 763 CD PRO A 50 -3.275 8.552 2.129 1.00 0.00 C ATOM 0 HA PRO A 50 -1.917 7.370 4.957 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.576 8.143 5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.291 9.330 5.072 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.269 8.517 2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.441 10.049 3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.747 8.022 1.301 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.763 9.415 1.704 1.00 0.00 H new ATOM 771 N LEU A 51 -3.749 5.675 5.656 1.00 0.00 N ATOM 772 CA LEU A 51 -4.375 4.386 5.936 1.00 0.00 C ATOM 773 C LEU A 51 -5.708 4.267 5.203 1.00 0.00 C ATOM 774 O LEU A 51 -6.381 5.263 4.944 1.00 0.00 O ATOM 775 CB LEU A 51 -4.614 4.223 7.438 1.00 0.00 C ATOM 776 CG LEU A 51 -3.270 4.124 8.163 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.850 5.512 8.651 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.406 3.185 9.364 1.00 0.00 C ATOM 0 H LEU A 51 -3.603 6.264 6.476 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.701 3.603 5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.183 5.070 7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.208 3.329 7.627 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.517 3.734 7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.893 5.442 9.167 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.754 6.184 7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.604 5.901 9.336 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.449 3.114 9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.160 3.576 10.048 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.707 2.195 9.020 1.00 0.00 H new ATOM 790 N GLY A 52 -6.078 3.032 4.872 1.00 0.00 N ATOM 791 CA GLY A 52 -7.333 2.786 4.169 1.00 0.00 C ATOM 792 C GLY A 52 -7.322 3.447 2.795 1.00 0.00 C ATOM 793 O GLY A 52 -8.209 4.232 2.459 1.00 0.00 O ATOM 0 H GLY A 52 -5.533 2.195 5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.490 1.713 4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.166 3.172 4.757 1.00 0.00 H new ATOM 797 N THR A 53 -6.305 3.120 2.003 1.00 0.00 N ATOM 798 CA THR A 53 -6.183 3.686 0.663 1.00 0.00 C ATOM 799 C THR A 53 -5.806 2.600 -0.340 1.00 0.00 C ATOM 800 O THR A 53 -4.737 1.998 -0.252 1.00 0.00 O ATOM 801 CB THR A 53 -5.112 4.780 0.638 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.345 5.691 1.703 1.00 0.00 O ATOM 803 CG2 THR A 53 -5.172 5.525 -0.696 1.00 0.00 C ATOM 0 H THR A 53 -5.560 2.473 2.262 1.00 0.00 H new ATOM 0 HA THR A 53 -7.147 4.116 0.390 1.00 0.00 H new ATOM 0 HB THR A 53 -4.127 4.328 0.754 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.499 5.887 2.157 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.409 6.303 -0.713 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.994 4.825 -1.512 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.156 5.979 -0.816 1.00 0.00 H new ATOM 811 N THR A 54 -6.701 2.357 -1.293 1.00 0.00 N ATOM 812 CA THR A 54 -6.457 1.339 -2.312 1.00 0.00 C ATOM 813 C THR A 54 -5.226 1.696 -3.140 1.00 0.00 C ATOM 814 O THR A 54 -5.248 2.631 -3.941 1.00 0.00 O ATOM 815 CB THR A 54 -7.664 1.213 -3.245 1.00 0.00 C ATOM 816 OG1 THR A 54 -8.859 1.270 -2.480 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.598 -0.121 -3.993 1.00 0.00 C ATOM 0 H THR A 54 -7.593 2.844 -1.382 1.00 0.00 H new ATOM 0 HA THR A 54 -6.290 0.389 -1.803 1.00 0.00 H new ATOM 0 HB THR A 54 -7.653 2.031 -3.965 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.633 1.191 -3.076 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.458 -0.209 -4.657 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.681 -0.164 -4.580 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.608 -0.941 -3.275 1.00 0.00 H new ATOM 825 N LEU A 55 -4.152 0.939 -2.937 1.00 0.00 N ATOM 826 CA LEU A 55 -2.911 1.178 -3.670 1.00 0.00 C ATOM 827 C LEU A 55 -3.136 1.006 -5.168 1.00 0.00 C ATOM 828 O LEU A 55 -3.401 -0.096 -5.648 1.00 0.00 O ATOM 829 CB LEU A 55 -1.823 0.203 -3.216 1.00 0.00 C ATOM 830 CG LEU A 55 -0.449 0.750 -3.604 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.026 1.826 -2.601 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.574 -0.387 -3.590 1.00 0.00 C ATOM 0 H LEU A 55 -4.114 0.162 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.591 2.200 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.877 0.059 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.980 -0.773 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.500 1.183 -4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.954 2.216 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.755 2.637 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.025 1.393 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.554 0.002 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.624 -0.819 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.274 -1.155 -4.303 1.00 0.00 H new ATOM 844 N MET A 56 -3.026 2.110 -5.900 1.00 0.00 N ATOM 845 CA MET A 56 -3.219 2.074 -7.347 1.00 0.00 C ATOM 846 C MET A 56 -1.873 1.908 -8.060 1.00 0.00 C ATOM 847 O MET A 56 -0.830 2.253 -7.506 1.00 0.00 O ATOM 848 CB MET A 56 -3.883 3.364 -7.832 1.00 0.00 C ATOM 849 CG MET A 56 -5.263 3.501 -7.185 1.00 0.00 C ATOM 850 SD MET A 56 -6.404 2.314 -7.938 1.00 0.00 S ATOM 851 CE MET A 56 -7.895 3.333 -7.830 1.00 0.00 C ATOM 0 H MET A 56 -2.807 3.031 -5.521 1.00 0.00 H new ATOM 0 HA MET A 56 -3.863 1.226 -7.580 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.263 4.223 -7.577 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.978 3.351 -8.918 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.192 3.323 -6.112 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.639 4.516 -7.316 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.632 2.977 -8.550 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.309 3.267 -6.824 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.644 4.370 -8.051 1.00 0.00 H new ATOM 861 N PRO A 57 -1.872 1.383 -9.296 1.00 0.00 N ATOM 862 CA PRO A 57 -0.624 1.188 -10.058 1.00 0.00 C ATOM 863 C PRO A 57 -0.125 2.474 -10.715 1.00 0.00 C ATOM 864 O PRO A 57 1.067 2.625 -10.987 1.00 0.00 O ATOM 865 CB PRO A 57 -1.037 0.164 -11.107 1.00 0.00 C ATOM 866 CG PRO A 57 -2.546 0.275 -11.274 1.00 0.00 C ATOM 867 CD PRO A 57 -3.096 0.953 -10.015 1.00 0.00 C ATOM 0 HA PRO A 57 0.206 0.872 -9.426 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.530 0.356 -12.053 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.757 -0.842 -10.794 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.792 0.857 -12.162 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.992 -0.711 -11.405 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.736 1.800 -10.261 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.693 0.265 -9.416 1.00 0.00 H new ATOM 875 N ASP A 58 -1.047 3.399 -10.964 1.00 0.00 N ATOM 876 CA ASP A 58 -0.687 4.670 -11.587 1.00 0.00 C ATOM 877 C ASP A 58 0.022 5.575 -10.583 1.00 0.00 C ATOM 878 O ASP A 58 0.880 6.379 -10.949 1.00 0.00 O ATOM 879 CB ASP A 58 -1.936 5.384 -12.107 1.00 0.00 C ATOM 880 CG ASP A 58 -2.952 5.520 -10.978 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.709 6.309 -10.080 1.00 0.00 O ATOM 882 OD2 ASP A 58 -3.958 4.830 -11.027 1.00 0.00 O ATOM 0 H ASP A 58 -2.038 3.296 -10.747 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.017 4.458 -12.420 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.671 6.369 -12.492 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.370 4.824 -12.935 1.00 0.00 H new ATOM 887 N MET A 59 -0.348 5.437 -9.312 1.00 0.00 N ATOM 888 CA MET A 59 0.257 6.249 -8.259 1.00 0.00 C ATOM 889 C MET A 59 1.694 5.805 -7.997 1.00 0.00 C ATOM 890 O MET A 59 2.575 6.626 -7.743 1.00 0.00 O ATOM 891 CB MET A 59 -0.545 6.127 -6.962 1.00 0.00 C ATOM 892 CG MET A 59 -1.888 6.841 -7.123 1.00 0.00 C ATOM 893 SD MET A 59 -2.464 7.418 -5.507 1.00 0.00 S ATOM 894 CE MET A 59 -3.695 6.122 -5.229 1.00 0.00 C ATOM 0 H MET A 59 -1.056 4.778 -8.988 1.00 0.00 H new ATOM 0 HA MET A 59 0.254 7.286 -8.593 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.706 5.077 -6.719 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.014 6.563 -6.134 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.784 7.684 -7.806 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.621 6.164 -7.562 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.184 6.285 -4.268 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.440 6.151 -6.025 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.204 5.149 -5.226 1.00 0.00 H new ATOM 904 N VAL A 60 1.920 4.497 -8.060 1.00 0.00 N ATOM 905 CA VAL A 60 3.257 3.955 -7.826 1.00 0.00 C ATOM 906 C VAL A 60 4.119 4.110 -9.076 1.00 0.00 C ATOM 907 O VAL A 60 3.994 3.347 -10.034 1.00 0.00 O ATOM 908 CB VAL A 60 3.176 2.472 -7.449 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.563 1.969 -7.041 1.00 0.00 C ATOM 910 CG2 VAL A 60 2.208 2.295 -6.277 1.00 0.00 C ATOM 0 H VAL A 60 1.206 3.799 -8.268 1.00 0.00 H new ATOM 0 HA VAL A 60 3.709 4.510 -7.004 1.00 0.00 H new ATOM 0 HB VAL A 60 2.820 1.901 -8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.503 0.914 -6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.255 2.093 -7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.920 2.541 -6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.150 1.240 -6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.564 2.868 -5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.219 2.651 -6.565 1.00 0.00 H new ATOM 920 N LYS A 61 4.997 5.110 -9.052 1.00 0.00 N ATOM 921 CA LYS A 61 5.881 5.365 -10.186 1.00 0.00 C ATOM 922 C LYS A 61 6.877 4.221 -10.351 1.00 0.00 C ATOM 923 O LYS A 61 7.552 3.824 -9.402 1.00 0.00 O ATOM 924 CB LYS A 61 6.652 6.670 -9.983 1.00 0.00 C ATOM 925 CG LYS A 61 5.663 7.824 -9.798 1.00 0.00 C ATOM 926 CD LYS A 61 6.286 9.119 -10.323 1.00 0.00 C ATOM 927 CE LYS A 61 5.186 10.029 -10.870 1.00 0.00 C ATOM 928 NZ LYS A 61 5.797 11.090 -11.722 1.00 0.00 N ATOM 0 H LYS A 61 5.115 5.751 -8.268 1.00 0.00 H new ATOM 0 HA LYS A 61 5.265 5.444 -11.081 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.301 6.590 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.295 6.862 -10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.736 7.612 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.407 7.932 -8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.827 9.625 -9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.010 8.895 -11.106 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.473 9.446 -11.452 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.632 10.482 -10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.049 11.709 -12.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.461 11.653 -11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.307 10.649 -12.514 1.00 0.00 H new ATOM 942 N GLY A 62 6.958 3.695 -11.570 1.00 0.00 N ATOM 943 CA GLY A 62 7.872 2.592 -11.854 1.00 0.00 C ATOM 944 C GLY A 62 7.109 1.277 -11.977 1.00 0.00 C ATOM 945 O GLY A 62 7.520 0.369 -12.698 1.00 0.00 O ATOM 0 H GLY A 62 6.408 4.010 -12.369 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.414 2.791 -12.778 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.614 2.515 -11.060 1.00 0.00 H new ATOM 949 N TYR A 63 5.990 1.186 -11.261 1.00 0.00 N ATOM 950 CA TYR A 63 5.170 -0.021 -11.293 1.00 0.00 C ATOM 951 C TYR A 63 4.645 -0.269 -12.706 1.00 0.00 C ATOM 952 O TYR A 63 5.026 -1.237 -13.364 1.00 0.00 O ATOM 953 CB TYR A 63 3.989 0.116 -10.327 1.00 0.00 C ATOM 954 CG TYR A 63 3.261 -1.202 -10.222 1.00 0.00 C ATOM 955 CD1 TYR A 63 3.943 -2.357 -9.757 1.00 0.00 C ATOM 956 CD2 TYR A 63 1.893 -1.285 -10.590 1.00 0.00 C ATOM 957 CE1 TYR A 63 3.255 -3.597 -9.658 1.00 0.00 C ATOM 958 CE2 TYR A 63 1.203 -2.523 -10.492 1.00 0.00 C ATOM 959 CZ TYR A 63 1.884 -3.680 -10.026 1.00 0.00 C ATOM 960 OH TYR A 63 1.216 -4.883 -9.931 1.00 0.00 O ATOM 0 H TYR A 63 5.634 1.927 -10.657 1.00 0.00 H new ATOM 0 HA TYR A 63 5.789 -0.865 -10.988 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.345 0.425 -9.344 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.308 0.891 -10.678 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.985 -2.294 -9.478 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.376 -0.406 -10.945 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.773 -4.476 -9.303 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.162 -2.585 -10.771 1.00 0.00 H new ATOM 0 HH TYR A 63 1.815 -5.612 -10.196 1.00 0.00 H new ATOM 970 N ALA A 64 3.766 0.621 -13.166 1.00 0.00 N ATOM 971 CA ALA A 64 3.193 0.497 -14.506 1.00 0.00 C ATOM 972 C ALA A 64 2.473 -0.843 -14.667 1.00 0.00 C ATOM 973 O ALA A 64 2.675 -1.567 -15.644 1.00 0.00 O ATOM 974 CB ALA A 64 4.292 0.614 -15.567 1.00 0.00 C ATOM 0 H ALA A 64 3.438 1.428 -12.636 1.00 0.00 H new ATOM 0 HA ALA A 64 2.472 1.304 -14.640 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.851 0.520 -16.559 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.782 1.584 -15.478 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.026 -0.178 -15.419 1.00 0.00 H new ATOM 980 N ALA A 65 1.625 -1.164 -13.693 1.00 0.00 N ATOM 981 CA ALA A 65 0.871 -2.417 -13.727 1.00 0.00 C ATOM 982 C ALA A 65 1.820 -3.613 -13.750 1.00 0.00 C ATOM 983 O ALA A 65 1.986 -4.231 -12.712 1.00 0.00 O ATOM 984 CB ALA A 65 -0.025 -2.470 -14.966 1.00 0.00 C ATOM 0 H ALA A 65 1.443 -0.580 -12.877 1.00 0.00 H new ATOM 0 HA ALA A 65 0.254 -2.460 -12.830 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.578 -3.409 -14.975 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.726 -1.636 -14.944 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.590 -2.403 -15.863 1.00 0.00 H new TER 990 ALA A 65