USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 526 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 26 THR OG1 : rot -43:sc= 0.665 USER MOD Set 1.2: A 29 SER OG : rot -140:sc= 1.21 USER MOD Single : A 1 ALA N :NH3+ -143:sc= 0.4 (180deg=-0.88!) USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= -0.0416 (180deg=-0.446) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0062 USER MOD Single : A 8 LYS NZ :NH3+ -126:sc= -0.209 (180deg=-0.998) USER MOD Single : A 10 SER OG : rot -28:sc= 0.477 USER MOD Single : A 14 LYS NZ :NH3+ 136:sc= -0.953 (180deg=-2.83!) USER MOD Single : A 16 LYS NZ :NH3+ -132:sc= -0.728 (180deg=-2.27!) USER MOD Single : A 41 THR OG1 : rot 28:sc= 0.3 USER MOD Single : A 46 MET CE :methyl -155:sc= -0.265 (180deg=-1.44!) USER MOD Single : A 47 ASN : amide:sc= -2.16! K(o=-2.2!,f=-1.1) USER MOD Single : A 55 ASN : amide:sc= -6.86! C(o=-6.9!,f=-1.2!) USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.199) USER MOD Single : A 62 GLN : amide:sc= -3.6! C(o=-3.6!,f=-2.6!) USER MOD Single : A 65 SER OG : rot 180:sc= -1.21 USER MOD Single : A 66 THR OG1 : rot -108:sc= 0.00555 USER MOD Single : A 68 GLN : amide:sc= -5.39! C(o=-5.4!,f=-2.1!) USER MOD Single : A 69 GLN : amide:sc= -0.966 K(o=-0.97,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.485 -4.116 7.161 1.00 1.00 N ATOM 2 CA ALA A 1 -9.709 -4.212 5.691 1.00 1.00 C ATOM 3 C ALA A 1 -10.028 -5.659 5.327 1.00 1.00 C ATOM 4 O ALA A 1 -10.270 -6.490 6.200 1.00 1.00 O ATOM 5 CB ALA A 1 -8.452 -3.744 4.952 1.00 1.00 C ATOM 0 H1 ALA A 1 -9.875 -3.219 7.514 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.958 -4.910 7.637 1.00 1.00 H new ATOM 0 H3 ALA A 1 -8.465 -4.152 7.360 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.546 -3.577 5.400 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.615 -3.814 3.877 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.236 -2.710 5.220 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.609 -4.375 5.233 1.00 1.00 H new ATOM 13 N LYS A 2 -10.027 -5.953 4.029 1.00 1.00 N ATOM 14 CA LYS A 2 -10.318 -7.304 3.548 1.00 1.00 C ATOM 15 C LYS A 2 -9.026 -8.033 3.200 1.00 1.00 C ATOM 16 O LYS A 2 -8.039 -7.414 2.806 1.00 1.00 O ATOM 17 CB LYS A 2 -11.217 -7.233 2.314 1.00 1.00 C ATOM 18 CG LYS A 2 -12.581 -6.661 2.708 1.00 1.00 C ATOM 19 CD LYS A 2 -13.464 -6.551 1.465 1.00 1.00 C ATOM 20 CE LYS A 2 -14.792 -5.889 1.841 1.00 1.00 C ATOM 21 NZ LYS A 2 -15.500 -6.730 2.848 1.00 1.00 N ATOM 0 H LYS A 2 -9.829 -5.277 3.292 1.00 1.00 H new ATOM 0 HA LYS A 2 -10.830 -7.853 4.338 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -10.755 -6.607 1.550 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.338 -8.226 1.882 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.056 -7.303 3.450 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -12.457 -5.680 3.168 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -12.958 -5.966 0.697 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -13.644 -7.541 1.045 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -14.612 -4.893 2.245 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.413 -5.765 0.954 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -16.501 -6.451 2.891 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -15.431 -7.731 2.575 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -15.063 -6.595 3.782 1.00 1.00 H new ATOM 35 N LYS A 3 -9.040 -9.348 3.352 1.00 1.00 N ATOM 36 CA LYS A 3 -7.862 -10.155 3.060 1.00 1.00 C ATOM 37 C LYS A 3 -7.444 -9.988 1.602 1.00 1.00 C ATOM 38 O LYS A 3 -6.255 -9.909 1.292 1.00 1.00 O ATOM 39 CB LYS A 3 -8.167 -11.623 3.333 1.00 1.00 C ATOM 40 CG LYS A 3 -8.325 -11.850 4.838 1.00 1.00 C ATOM 41 CD LYS A 3 -9.019 -13.192 5.087 1.00 1.00 C ATOM 42 CE LYS A 3 -8.294 -14.300 4.321 1.00 1.00 C ATOM 43 NZ LYS A 3 -8.727 -15.627 4.840 1.00 1.00 N ATOM 0 H LYS A 3 -9.849 -9.879 3.674 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.045 -9.821 3.700 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.080 -11.917 2.814 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.364 -12.249 2.944 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -7.348 -11.839 5.322 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -8.908 -11.041 5.278 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -9.023 -13.417 6.153 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -10.060 -13.138 4.768 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -8.514 -14.225 3.256 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -7.215 -14.188 4.432 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -8.234 -16.381 4.320 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -8.496 -15.696 5.852 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -9.754 -15.732 4.712 1.00 1.00 H new ATOM 57 N GLU A 4 -8.426 -9.944 0.710 1.00 1.00 N ATOM 58 CA GLU A 4 -8.141 -9.796 -0.712 1.00 1.00 C ATOM 59 C GLU A 4 -7.375 -8.503 -0.976 1.00 1.00 C ATOM 60 O GLU A 4 -6.412 -8.485 -1.743 1.00 1.00 O ATOM 61 CB GLU A 4 -9.455 -9.793 -1.498 1.00 1.00 C ATOM 62 CG GLU A 4 -10.227 -8.500 -1.210 1.00 1.00 C ATOM 63 CD GLU A 4 -11.661 -8.621 -1.710 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.218 -9.701 -1.592 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.181 -7.636 -2.203 1.00 1.00 O ATOM 0 H GLU A 4 -9.417 -10.008 0.942 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.523 -10.634 -1.036 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.251 -9.876 -2.566 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.058 -10.657 -1.220 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.223 -8.297 -0.139 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -9.734 -7.658 -1.696 1.00 1.00 H new ATOM 72 N THR A 5 -7.812 -7.423 -0.336 1.00 1.00 N ATOM 73 CA THR A 5 -7.165 -6.131 -0.509 1.00 1.00 C ATOM 74 C THR A 5 -5.795 -6.125 0.163 1.00 1.00 C ATOM 75 O THR A 5 -4.829 -5.578 -0.368 1.00 1.00 O ATOM 76 CB THR A 5 -8.038 -5.015 0.081 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.403 -5.290 -0.209 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.651 -3.673 -0.558 1.00 1.00 C ATOM 0 H THR A 5 -8.607 -7.418 0.303 1.00 1.00 H new ATOM 0 HA THR A 5 -7.034 -5.954 -1.577 1.00 1.00 H new ATOM 0 HB THR A 5 -7.889 -4.965 1.160 1.00 1.00 H new ATOM 0 HG1 THR A 5 -9.966 -4.582 0.167 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.270 -2.879 -0.140 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.602 -3.461 -0.352 1.00 1.00 H new ATOM 0 HG23 THR A 5 -7.806 -3.725 -1.636 1.00 1.00 H new ATOM 86 N ILE A 6 -5.722 -6.740 1.339 1.00 1.00 N ATOM 87 CA ILE A 6 -4.471 -6.804 2.080 1.00 1.00 C ATOM 88 C ILE A 6 -3.417 -7.567 1.287 1.00 1.00 C ATOM 89 O ILE A 6 -2.265 -7.136 1.199 1.00 1.00 O ATOM 90 CB ILE A 6 -4.700 -7.498 3.430 1.00 1.00 C ATOM 91 CG1 ILE A 6 -5.533 -6.587 4.339 1.00 1.00 C ATOM 92 CG2 ILE A 6 -3.352 -7.800 4.097 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.064 -7.397 5.528 1.00 1.00 C ATOM 0 H ILE A 6 -6.510 -7.198 1.796 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.116 -5.787 2.248 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.234 -8.434 3.267 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -4.924 -5.756 4.695 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -6.363 -6.157 3.778 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -3.522 -8.292 5.054 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -2.765 -8.454 3.452 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -2.810 -6.869 4.259 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -6.656 -6.749 6.174 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -6.687 -8.213 5.163 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -5.226 -7.805 6.093 1.00 1.00 H new ATOM 105 N ASP A 7 -3.811 -8.692 0.708 1.00 1.00 N ATOM 106 CA ASP A 7 -2.886 -9.496 -0.075 1.00 1.00 C ATOM 107 C ASP A 7 -2.379 -8.698 -1.269 1.00 1.00 C ATOM 108 O ASP A 7 -1.203 -8.771 -1.620 1.00 1.00 O ATOM 109 CB ASP A 7 -3.590 -10.766 -0.563 1.00 1.00 C ATOM 110 CG ASP A 7 -3.798 -11.728 0.602 1.00 1.00 C ATOM 111 OD1 ASP A 7 -3.203 -11.506 1.644 1.00 1.00 O ATOM 112 OD2 ASP A 7 -4.548 -12.678 0.435 1.00 1.00 O ATOM 0 H ASP A 7 -4.758 -9.066 0.765 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.038 -9.771 0.552 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -4.551 -10.510 -1.010 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -2.995 -11.246 -1.340 1.00 1.00 H new ATOM 117 N LYS A 8 -3.267 -7.932 -1.884 1.00 1.00 N ATOM 118 CA LYS A 8 -2.889 -7.122 -3.032 1.00 1.00 C ATOM 119 C LYS A 8 -1.879 -6.060 -2.629 1.00 1.00 C ATOM 120 O LYS A 8 -0.876 -5.858 -3.309 1.00 1.00 O ATOM 121 CB LYS A 8 -4.131 -6.438 -3.598 1.00 1.00 C ATOM 122 CG LYS A 8 -5.036 -7.475 -4.293 1.00 1.00 C ATOM 123 CD LYS A 8 -4.592 -7.664 -5.761 1.00 1.00 C ATOM 124 CE LYS A 8 -5.329 -6.660 -6.649 1.00 1.00 C ATOM 125 NZ LYS A 8 -6.785 -6.973 -6.639 1.00 1.00 N ATOM 0 H LYS A 8 -4.247 -7.854 -1.611 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.439 -7.771 -3.784 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -4.680 -5.943 -2.797 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -3.838 -5.665 -4.308 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -4.986 -8.427 -3.764 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.074 -7.145 -4.258 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.515 -7.521 -5.848 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.806 -8.681 -6.089 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -5.161 -5.645 -6.288 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -4.942 -6.705 -7.667 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -7.123 -7.083 -7.616 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -6.946 -7.857 -6.115 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -7.304 -6.198 -6.178 1.00 1.00 H new ATOM 139 N VAL A 9 -2.156 -5.375 -1.525 1.00 1.00 N ATOM 140 CA VAL A 9 -1.261 -4.327 -1.063 1.00 1.00 C ATOM 141 C VAL A 9 0.123 -4.895 -0.773 1.00 1.00 C ATOM 142 O VAL A 9 1.135 -4.345 -1.213 1.00 1.00 O ATOM 143 CB VAL A 9 -1.829 -3.685 0.209 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.802 -2.722 0.808 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.105 -2.916 -0.137 1.00 1.00 C ATOM 0 H VAL A 9 -2.980 -5.525 -0.943 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.174 -3.574 -1.846 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.056 -4.466 0.935 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.211 -2.269 1.711 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.108 -3.269 1.056 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.570 -1.941 0.084 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.510 -2.459 0.766 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.875 -2.139 -0.866 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -3.840 -3.602 -0.558 1.00 1.00 H new ATOM 155 N SER A 10 0.159 -5.994 -0.040 1.00 1.00 N ATOM 156 CA SER A 10 1.426 -6.631 0.293 1.00 1.00 C ATOM 157 C SER A 10 2.136 -7.082 -0.976 1.00 1.00 C ATOM 158 O SER A 10 3.350 -6.952 -1.084 1.00 1.00 O ATOM 159 CB SER A 10 1.183 -7.842 1.203 1.00 1.00 C ATOM 160 OG SER A 10 0.331 -8.761 0.534 1.00 1.00 O ATOM 0 H SER A 10 -0.666 -6.463 0.335 1.00 1.00 H new ATOM 0 HA SER A 10 2.052 -5.908 0.816 1.00 1.00 H new ATOM 0 HB2 SER A 10 2.130 -8.320 1.453 1.00 1.00 H new ATOM 0 HB3 SER A 10 0.729 -7.523 2.141 1.00 1.00 H new ATOM 0 HG SER A 10 -0.246 -8.276 -0.092 1.00 1.00 H new ATOM 166 N ASP A 11 1.373 -7.615 -1.930 1.00 1.00 N ATOM 167 CA ASP A 11 1.937 -8.099 -3.183 1.00 1.00 C ATOM 168 C ASP A 11 2.720 -7.000 -3.873 1.00 1.00 C ATOM 169 O ASP A 11 3.806 -7.237 -4.398 1.00 1.00 O ATOM 170 CB ASP A 11 0.800 -8.596 -4.093 1.00 1.00 C ATOM 171 CG ASP A 11 0.438 -10.047 -3.764 1.00 1.00 C ATOM 172 OD1 ASP A 11 1.323 -10.793 -3.380 1.00 1.00 O ATOM 173 OD2 ASP A 11 -0.723 -10.389 -3.919 1.00 1.00 O ATOM 0 H ASP A 11 0.361 -7.721 -1.856 1.00 1.00 H new ATOM 0 HA ASP A 11 2.620 -8.922 -2.974 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -0.076 -7.960 -3.968 1.00 1.00 H new ATOM 0 HB3 ASP A 11 1.103 -8.519 -5.137 1.00 1.00 H new ATOM 178 N ILE A 12 2.176 -5.802 -3.867 1.00 1.00 N ATOM 179 CA ILE A 12 2.848 -4.689 -4.507 1.00 1.00 C ATOM 180 C ILE A 12 4.226 -4.488 -3.913 1.00 1.00 C ATOM 181 O ILE A 12 5.182 -4.262 -4.647 1.00 1.00 O ATOM 182 CB ILE A 12 2.007 -3.396 -4.341 1.00 1.00 C ATOM 183 CG1 ILE A 12 1.054 -3.212 -5.528 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.907 -2.155 -4.219 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.018 -4.296 -5.528 1.00 1.00 C ATOM 0 H ILE A 12 1.282 -5.574 -3.432 1.00 1.00 H new ATOM 0 HA ILE A 12 2.956 -4.913 -5.568 1.00 1.00 H new ATOM 0 HB ILE A 12 1.428 -3.503 -3.424 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.585 -2.229 -5.476 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.616 -3.248 -6.461 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.287 -1.266 -4.104 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.556 -2.260 -3.349 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.517 -2.058 -5.117 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.685 -4.148 -6.378 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.455 -5.275 -5.603 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.592 -4.240 -4.603 1.00 1.00 H new ATOM 197 N VAL A 13 4.317 -4.535 -2.600 1.00 1.00 N ATOM 198 CA VAL A 13 5.590 -4.323 -1.928 1.00 1.00 C ATOM 199 C VAL A 13 6.599 -5.390 -2.328 1.00 1.00 C ATOM 200 O VAL A 13 7.754 -5.084 -2.623 1.00 1.00 O ATOM 201 CB VAL A 13 5.386 -4.355 -0.413 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.726 -4.149 0.292 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.417 -3.242 0.000 1.00 1.00 C ATOM 0 H VAL A 13 3.531 -4.717 -1.976 1.00 1.00 H new ATOM 0 HA VAL A 13 5.978 -3.349 -2.227 1.00 1.00 H new ATOM 0 HB VAL A 13 4.972 -5.322 -0.128 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.577 -4.172 1.371 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.415 -4.943 0.004 1.00 1.00 H new ATOM 0 HG13 VAL A 13 7.144 -3.184 0.004 1.00 1.00 H new ATOM 0 HG21 VAL A 13 4.273 -3.267 1.080 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.829 -2.275 -0.289 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.458 -3.391 -0.497 1.00 1.00 H new ATOM 213 N LYS A 14 6.158 -6.635 -2.328 1.00 1.00 N ATOM 214 CA LYS A 14 7.034 -7.742 -2.681 1.00 1.00 C ATOM 215 C LYS A 14 7.510 -7.620 -4.121 1.00 1.00 C ATOM 216 O LYS A 14 8.670 -7.893 -4.430 1.00 1.00 O ATOM 217 CB LYS A 14 6.296 -9.065 -2.509 1.00 1.00 C ATOM 218 CG LYS A 14 5.396 -9.009 -1.244 1.00 1.00 C ATOM 219 CD LYS A 14 5.485 -10.309 -0.427 1.00 1.00 C ATOM 220 CE LYS A 14 6.450 -10.105 0.742 1.00 1.00 C ATOM 221 NZ LYS A 14 5.874 -9.101 1.680 1.00 1.00 N ATOM 0 H LYS A 14 5.204 -6.906 -2.089 1.00 1.00 H new ATOM 0 HA LYS A 14 7.900 -7.712 -2.019 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.687 -9.269 -3.390 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.012 -9.882 -2.420 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.695 -8.166 -0.621 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.362 -8.835 -1.540 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.499 -10.587 -0.055 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.829 -11.127 -1.060 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.619 -11.049 1.259 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.418 -9.765 0.375 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 5.994 -9.431 2.659 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.364 -8.192 1.559 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 4.861 -8.978 1.478 1.00 1.00 H new ATOM 235 N GLU A 15 6.601 -7.221 -4.999 1.00 1.00 N ATOM 236 CA GLU A 15 6.934 -7.073 -6.409 1.00 1.00 C ATOM 237 C GLU A 15 8.115 -6.131 -6.584 1.00 1.00 C ATOM 238 O GLU A 15 8.783 -6.137 -7.617 1.00 1.00 O ATOM 239 CB GLU A 15 5.722 -6.540 -7.180 1.00 1.00 C ATOM 240 CG GLU A 15 4.694 -7.660 -7.371 1.00 1.00 C ATOM 241 CD GLU A 15 5.229 -8.688 -8.361 1.00 1.00 C ATOM 242 OE1 GLU A 15 5.609 -8.289 -9.451 1.00 1.00 O ATOM 243 OE2 GLU A 15 5.248 -9.858 -8.018 1.00 1.00 O ATOM 0 H GLU A 15 5.635 -6.995 -4.763 1.00 1.00 H new ATOM 0 HA GLU A 15 7.209 -8.051 -6.804 1.00 1.00 H new ATOM 0 HB2 GLU A 15 5.271 -5.709 -6.637 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.037 -6.154 -8.149 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.482 -8.138 -6.415 1.00 1.00 H new ATOM 0 HG3 GLU A 15 3.754 -7.245 -7.735 1.00 1.00 H new ATOM 250 N LYS A 16 8.364 -5.318 -5.571 1.00 1.00 N ATOM 251 CA LYS A 16 9.464 -4.365 -5.621 1.00 1.00 C ATOM 252 C LYS A 16 10.798 -5.088 -5.686 1.00 1.00 C ATOM 253 O LYS A 16 11.699 -4.665 -6.404 1.00 1.00 O ATOM 254 CB LYS A 16 9.419 -3.456 -4.389 1.00 1.00 C ATOM 255 CG LYS A 16 8.026 -2.842 -4.244 1.00 1.00 C ATOM 256 CD LYS A 16 7.827 -1.707 -5.256 1.00 1.00 C ATOM 257 CE LYS A 16 8.791 -0.544 -4.939 1.00 1.00 C ATOM 258 NZ LYS A 16 9.998 -0.661 -5.805 1.00 1.00 N ATOM 0 H LYS A 16 7.823 -5.297 -4.707 1.00 1.00 H new ATOM 0 HA LYS A 16 9.358 -3.758 -6.520 1.00 1.00 H new ATOM 0 HB2 LYS A 16 9.668 -4.028 -3.495 1.00 1.00 H new ATOM 0 HB3 LYS A 16 10.166 -2.667 -4.481 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.267 -3.609 -4.396 1.00 1.00 H new ATOM 0 HG3 LYS A 16 7.895 -2.461 -3.231 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.006 -2.074 -6.267 1.00 1.00 H new ATOM 0 HD3 LYS A 16 6.796 -1.355 -5.223 1.00 1.00 H new ATOM 0 HE2 LYS A 16 8.296 0.412 -5.111 1.00 1.00 H new ATOM 0 HE3 LYS A 16 9.078 -0.570 -3.888 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 10.854 -0.556 -5.224 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 10.005 -1.593 -6.266 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 9.978 0.084 -6.530 1.00 1.00 H new ATOM 272 N LEU A 17 10.911 -6.179 -4.936 1.00 1.00 N ATOM 273 CA LEU A 17 12.143 -6.967 -4.917 1.00 1.00 C ATOM 274 C LEU A 17 11.837 -8.435 -5.179 1.00 1.00 C ATOM 275 O LEU A 17 12.619 -9.315 -4.820 1.00 1.00 O ATOM 276 CB LEU A 17 12.844 -6.820 -3.566 1.00 1.00 C ATOM 277 CG LEU A 17 11.864 -7.161 -2.426 1.00 1.00 C ATOM 278 CD1 LEU A 17 12.657 -7.464 -1.151 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.883 -5.996 -2.172 1.00 1.00 C ATOM 0 H LEU A 17 10.169 -6.538 -4.335 1.00 1.00 H new ATOM 0 HA LEU A 17 12.801 -6.596 -5.703 1.00 1.00 H new ATOM 0 HB2 LEU A 17 13.710 -7.480 -3.522 1.00 1.00 H new ATOM 0 HB3 LEU A 17 13.213 -5.801 -3.447 1.00 1.00 H new ATOM 0 HG LEU A 17 11.281 -8.036 -2.715 1.00 1.00 H new ATOM 0 HD11 LEU A 17 11.967 -7.706 -0.342 1.00 1.00 H new ATOM 0 HD12 LEU A 17 13.320 -8.311 -1.328 1.00 1.00 H new ATOM 0 HD13 LEU A 17 13.249 -6.591 -0.875 1.00 1.00 H new ATOM 0 HD21 LEU A 17 10.203 -6.263 -1.363 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.443 -5.103 -1.896 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.310 -5.799 -3.078 1.00 1.00 H new ATOM 291 N ALA A 18 10.695 -8.694 -5.807 1.00 1.00 N ATOM 292 CA ALA A 18 10.300 -10.062 -6.115 1.00 1.00 C ATOM 293 C ALA A 18 10.319 -10.937 -4.868 1.00 1.00 C ATOM 294 O ALA A 18 11.304 -11.620 -4.600 1.00 1.00 O ATOM 295 CB ALA A 18 11.251 -10.652 -7.152 1.00 1.00 C ATOM 0 H ALA A 18 10.032 -7.981 -6.110 1.00 1.00 H new ATOM 0 HA ALA A 18 9.283 -10.037 -6.508 1.00 1.00 H new ATOM 0 HB1 ALA A 18 10.952 -11.675 -7.379 1.00 1.00 H new ATOM 0 HB2 ALA A 18 11.215 -10.053 -8.062 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.267 -10.650 -6.757 1.00 1.00 H new ATOM 301 N LEU A 19 9.221 -10.909 -4.111 1.00 1.00 N ATOM 302 CA LEU A 19 9.107 -11.708 -2.885 1.00 1.00 C ATOM 303 C LEU A 19 7.749 -12.391 -2.814 1.00 1.00 C ATOM 304 O LEU A 19 7.007 -12.424 -3.796 1.00 1.00 O ATOM 305 CB LEU A 19 9.321 -10.807 -1.657 1.00 1.00 C ATOM 306 CG LEU A 19 10.632 -11.163 -0.948 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.820 -11.026 -1.920 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.815 -10.226 0.253 1.00 1.00 C ATOM 0 H LEU A 19 8.399 -10.344 -4.323 1.00 1.00 H new ATOM 0 HA LEU A 19 9.874 -12.482 -2.896 1.00 1.00 H new ATOM 0 HB2 LEU A 19 9.340 -9.762 -1.965 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.485 -10.920 -0.966 1.00 1.00 H new ATOM 0 HG LEU A 19 10.594 -12.196 -0.604 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.745 -11.282 -1.403 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.678 -11.700 -2.765 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.878 -9.999 -2.281 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.745 -10.470 0.766 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.851 -9.193 -0.094 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.978 -10.349 0.941 1.00 1.00 H new ATOM 320 N GLY A 20 7.446 -12.947 -1.643 1.00 1.00 N ATOM 321 CA GLY A 20 6.184 -13.642 -1.435 1.00 1.00 C ATOM 322 C GLY A 20 6.347 -15.139 -1.657 1.00 1.00 C ATOM 323 O GLY A 20 5.372 -15.888 -1.623 1.00 1.00 O ATOM 0 H GLY A 20 8.058 -12.928 -0.827 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.825 -13.457 -0.423 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.431 -13.249 -2.117 1.00 1.00 H new ATOM 327 N ALA A 21 7.585 -15.573 -1.886 1.00 1.00 N ATOM 328 CA ALA A 21 7.861 -16.987 -2.113 1.00 1.00 C ATOM 329 C ALA A 21 8.001 -17.721 -0.787 1.00 1.00 C ATOM 330 O ALA A 21 7.127 -18.494 -0.405 1.00 1.00 O ATOM 331 CB ALA A 21 9.146 -17.146 -2.927 1.00 1.00 C ATOM 0 H ALA A 21 8.407 -14.969 -1.919 1.00 1.00 H new ATOM 0 HA ALA A 21 7.027 -17.417 -2.668 1.00 1.00 H new ATOM 0 HB1 ALA A 21 9.344 -18.205 -3.091 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.032 -16.645 -3.888 1.00 1.00 H new ATOM 0 HB3 ALA A 21 9.979 -16.702 -2.382 1.00 1.00 H new ATOM 337 N ASP A 22 9.109 -17.473 -0.090 1.00 1.00 N ATOM 338 CA ASP A 22 9.366 -18.115 1.202 1.00 1.00 C ATOM 339 C ASP A 22 9.366 -17.084 2.320 1.00 1.00 C ATOM 340 O ASP A 22 9.995 -17.289 3.354 1.00 1.00 O ATOM 341 CB ASP A 22 10.714 -18.830 1.169 1.00 1.00 C ATOM 342 CG ASP A 22 11.836 -17.825 0.930 1.00 1.00 C ATOM 343 OD1 ASP A 22 11.527 -16.670 0.682 1.00 1.00 O ATOM 344 OD2 ASP A 22 12.985 -18.225 0.998 1.00 1.00 O ATOM 0 H ASP A 22 9.843 -16.834 -0.396 1.00 1.00 H new ATOM 0 HA ASP A 22 8.574 -18.840 1.390 1.00 1.00 H new ATOM 0 HB2 ASP A 22 10.879 -19.354 2.110 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.716 -19.583 0.381 1.00 1.00 H new ATOM 349 N VAL A 23 8.660 -15.974 2.104 1.00 1.00 N ATOM 350 CA VAL A 23 8.585 -14.905 3.104 1.00 1.00 C ATOM 351 C VAL A 23 7.166 -14.781 3.647 1.00 1.00 C ATOM 352 O VAL A 23 6.197 -14.776 2.889 1.00 1.00 O ATOM 353 CB VAL A 23 9.010 -13.579 2.477 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.946 -12.478 3.535 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.445 -13.700 1.952 1.00 1.00 C ATOM 0 H VAL A 23 8.133 -15.791 1.250 1.00 1.00 H new ATOM 0 HA VAL A 23 9.257 -15.151 3.927 1.00 1.00 H new ATOM 0 HB VAL A 23 8.342 -13.333 1.652 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.249 -11.529 3.092 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.926 -12.394 3.911 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.617 -12.725 4.358 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.750 -12.754 1.504 1.00 1.00 H new ATOM 0 HG22 VAL A 23 11.115 -13.943 2.777 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.492 -14.489 1.201 1.00 1.00 H new ATOM 365 N VAL A 24 7.054 -14.690 4.968 1.00 1.00 N ATOM 366 CA VAL A 24 5.750 -14.573 5.605 1.00 1.00 C ATOM 367 C VAL A 24 5.127 -13.218 5.286 1.00 1.00 C ATOM 368 O VAL A 24 5.775 -12.186 5.431 1.00 1.00 O ATOM 369 CB VAL A 24 5.893 -14.723 7.121 1.00 1.00 C ATOM 370 CG1 VAL A 24 4.539 -14.486 7.793 1.00 1.00 C ATOM 371 CG2 VAL A 24 6.385 -16.136 7.447 1.00 1.00 C ATOM 0 H VAL A 24 7.844 -14.695 5.613 1.00 1.00 H new ATOM 0 HA VAL A 24 5.104 -15.363 5.222 1.00 1.00 H new ATOM 0 HB VAL A 24 6.611 -13.991 7.491 1.00 1.00 H new ATOM 0 HG11 VAL A 24 4.645 -14.594 8.872 1.00 1.00 H new ATOM 0 HG12 VAL A 24 4.189 -13.480 7.561 1.00 1.00 H new ATOM 0 HG13 VAL A 24 3.817 -15.215 7.425 1.00 1.00 H new ATOM 0 HG21 VAL A 24 6.488 -16.245 8.527 1.00 1.00 H new ATOM 0 HG22 VAL A 24 5.666 -16.866 7.075 1.00 1.00 H new ATOM 0 HG23 VAL A 24 7.352 -16.303 6.972 1.00 1.00 H new ATOM 381 N VAL A 25 3.866 -13.233 4.852 1.00 1.00 N ATOM 382 CA VAL A 25 3.159 -11.996 4.516 1.00 1.00 C ATOM 383 C VAL A 25 1.871 -11.884 5.321 1.00 1.00 C ATOM 384 O VAL A 25 1.052 -12.802 5.339 1.00 1.00 O ATOM 385 CB VAL A 25 2.832 -11.987 3.023 1.00 1.00 C ATOM 386 CG1 VAL A 25 1.975 -10.763 2.695 1.00 1.00 C ATOM 387 CG2 VAL A 25 4.128 -11.952 2.221 1.00 1.00 C ATOM 0 H VAL A 25 3.316 -14.082 4.725 1.00 1.00 H new ATOM 0 HA VAL A 25 3.798 -11.147 4.759 1.00 1.00 H new ATOM 0 HB VAL A 25 2.277 -12.888 2.762 1.00 1.00 H new ATOM 0 HG11 VAL A 25 1.742 -10.757 1.630 1.00 1.00 H new ATOM 0 HG12 VAL A 25 1.049 -10.803 3.269 1.00 1.00 H new ATOM 0 HG13 VAL A 25 2.522 -9.856 2.952 1.00 1.00 H new ATOM 0 HG21 VAL A 25 3.897 -11.946 1.156 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.689 -11.053 2.476 1.00 1.00 H new ATOM 0 HG23 VAL A 25 4.726 -12.832 2.457 1.00 1.00 H new ATOM 397 N THR A 26 1.701 -10.747 5.987 1.00 1.00 N ATOM 398 CA THR A 26 0.508 -10.504 6.795 1.00 1.00 C ATOM 399 C THR A 26 0.116 -9.033 6.736 1.00 1.00 C ATOM 400 O THR A 26 0.869 -8.196 6.244 1.00 1.00 O ATOM 401 CB THR A 26 0.758 -10.915 8.245 1.00 1.00 C ATOM 402 OG1 THR A 26 1.760 -10.083 8.806 1.00 1.00 O ATOM 403 CG2 THR A 26 1.210 -12.371 8.289 1.00 1.00 C ATOM 0 H THR A 26 2.372 -9.979 5.984 1.00 1.00 H new ATOM 0 HA THR A 26 -0.308 -11.103 6.391 1.00 1.00 H new ATOM 0 HB THR A 26 -0.162 -10.807 8.820 1.00 1.00 H new ATOM 0 HG1 THR A 26 2.483 -9.958 8.156 1.00 1.00 H new ATOM 0 HG21 THR A 26 1.389 -12.665 9.323 1.00 1.00 H new ATOM 0 HG22 THR A 26 0.435 -13.006 7.860 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.130 -12.484 7.715 1.00 1.00 H new ATOM 411 N ALA A 27 -1.068 -8.731 7.241 1.00 1.00 N ATOM 412 CA ALA A 27 -1.559 -7.359 7.249 1.00 1.00 C ATOM 413 C ALA A 27 -0.729 -6.495 8.198 1.00 1.00 C ATOM 414 O ALA A 27 -0.538 -5.302 7.973 1.00 1.00 O ATOM 415 CB ALA A 27 -3.036 -7.328 7.674 1.00 1.00 C ATOM 0 H ALA A 27 -1.707 -9.413 7.650 1.00 1.00 H new ATOM 0 HA ALA A 27 -1.468 -6.956 6.240 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -3.392 -6.298 7.676 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -3.629 -7.915 6.973 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -3.136 -7.749 8.675 1.00 1.00 H new ATOM 421 N ASP A 28 -0.262 -7.103 9.277 1.00 1.00 N ATOM 422 CA ASP A 28 0.525 -6.375 10.273 1.00 1.00 C ATOM 423 C ASP A 28 2.016 -6.582 10.027 1.00 1.00 C ATOM 424 O ASP A 28 2.840 -6.365 10.916 1.00 1.00 O ATOM 425 CB ASP A 28 0.160 -6.852 11.679 1.00 1.00 C ATOM 426 CG ASP A 28 0.773 -5.922 12.723 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.519 -5.039 12.335 1.00 1.00 O ATOM 428 OD2 ASP A 28 0.486 -6.109 13.893 1.00 1.00 O ATOM 0 H ASP A 28 -0.410 -8.090 9.489 1.00 1.00 H new ATOM 0 HA ASP A 28 0.299 -5.312 10.186 1.00 1.00 H new ATOM 0 HB2 ASP A 28 -0.924 -6.876 11.794 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.519 -7.870 11.831 1.00 1.00 H new ATOM 433 N SER A 29 2.353 -7.022 8.820 1.00 1.00 N ATOM 434 CA SER A 29 3.742 -7.270 8.478 1.00 1.00 C ATOM 435 C SER A 29 4.509 -5.965 8.336 1.00 1.00 C ATOM 436 O SER A 29 5.727 -5.972 8.162 1.00 1.00 O ATOM 437 CB SER A 29 3.836 -8.062 7.170 1.00 1.00 C ATOM 438 OG SER A 29 3.516 -9.422 7.416 1.00 1.00 O ATOM 0 H SER A 29 1.688 -7.212 8.070 1.00 1.00 H new ATOM 0 HA SER A 29 4.186 -7.852 9.286 1.00 1.00 H new ATOM 0 HB2 SER A 29 3.153 -7.645 6.430 1.00 1.00 H new ATOM 0 HB3 SER A 29 4.841 -7.983 6.756 1.00 1.00 H new ATOM 0 HG SER A 29 4.116 -9.998 6.898 1.00 1.00 H new ATOM 444 N GLU A 30 3.789 -4.851 8.407 1.00 1.00 N ATOM 445 CA GLU A 30 4.412 -3.536 8.285 1.00 1.00 C ATOM 446 C GLU A 30 5.119 -3.404 6.941 1.00 1.00 C ATOM 447 O GLU A 30 5.712 -4.361 6.444 1.00 1.00 O ATOM 448 CB GLU A 30 5.411 -3.322 9.422 1.00 1.00 C ATOM 449 CG GLU A 30 4.689 -3.427 10.765 1.00 1.00 C ATOM 450 CD GLU A 30 5.687 -3.259 11.905 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.857 -3.067 11.618 1.00 1.00 O ATOM 452 OE2 GLU A 30 5.267 -3.324 13.048 1.00 1.00 O ATOM 0 H GLU A 30 2.779 -4.830 8.548 1.00 1.00 H new ATOM 0 HA GLU A 30 3.633 -2.776 8.346 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.206 -4.066 9.366 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.882 -2.344 9.326 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.915 -2.663 10.832 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.191 -4.393 10.845 1.00 1.00 H new ATOM 600 N THR A 41 7.533 5.652 -1.568 1.00 1.00 N ATOM 601 CA THR A 41 6.144 6.046 -1.368 1.00 1.00 C ATOM 602 C THR A 41 5.520 6.481 -2.688 1.00 1.00 C ATOM 603 O THR A 41 4.375 6.146 -2.976 1.00 1.00 O ATOM 604 CB THR A 41 6.063 7.194 -0.361 1.00 1.00 C ATOM 605 OG1 THR A 41 6.845 6.875 0.780 1.00 1.00 O ATOM 606 CG2 THR A 41 4.606 7.410 0.058 1.00 1.00 C ATOM 0 HA THR A 41 5.595 5.188 -0.981 1.00 1.00 H new ATOM 0 HB THR A 41 6.443 8.107 -0.819 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.571 6.270 0.520 1.00 1.00 H new ATOM 0 HG21 THR A 41 4.551 8.229 0.776 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.008 7.656 -0.819 1.00 1.00 H new ATOM 0 HG23 THR A 41 4.220 6.499 0.516 1.00 1.00 H new ATOM 614 N VAL A 42 6.281 7.229 -3.480 1.00 1.00 N ATOM 615 CA VAL A 42 5.796 7.708 -4.771 1.00 1.00 C ATOM 616 C VAL A 42 5.519 6.530 -5.705 1.00 1.00 C ATOM 617 O VAL A 42 4.526 6.516 -6.429 1.00 1.00 O ATOM 618 CB VAL A 42 6.827 8.634 -5.411 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.339 9.065 -6.795 1.00 1.00 C ATOM 620 CG2 VAL A 42 7.016 9.869 -4.527 1.00 1.00 C ATOM 0 H VAL A 42 7.233 7.516 -3.252 1.00 1.00 H new ATOM 0 HA VAL A 42 4.870 8.259 -4.607 1.00 1.00 H new ATOM 0 HB VAL A 42 7.777 8.108 -5.511 1.00 1.00 H new ATOM 0 HG11 VAL A 42 7.076 9.726 -7.251 1.00 1.00 H new ATOM 0 HG12 VAL A 42 6.203 8.185 -7.423 1.00 1.00 H new ATOM 0 HG13 VAL A 42 5.390 9.592 -6.698 1.00 1.00 H new ATOM 0 HG21 VAL A 42 7.752 10.532 -4.981 1.00 1.00 H new ATOM 0 HG22 VAL A 42 6.066 10.394 -4.428 1.00 1.00 H new ATOM 0 HG23 VAL A 42 7.365 9.561 -3.541 1.00 1.00 H new ATOM 630 N GLU A 43 6.416 5.561 -5.707 1.00 1.00 N ATOM 631 CA GLU A 43 6.248 4.386 -6.555 1.00 1.00 C ATOM 632 C GLU A 43 5.197 3.443 -5.973 1.00 1.00 C ATOM 633 O GLU A 43 4.383 2.878 -6.704 1.00 1.00 O ATOM 634 CB GLU A 43 7.580 3.651 -6.702 1.00 1.00 C ATOM 635 CG GLU A 43 7.453 2.557 -7.767 1.00 1.00 C ATOM 636 CD GLU A 43 7.321 3.192 -9.148 1.00 1.00 C ATOM 637 OE1 GLU A 43 7.491 4.397 -9.244 1.00 1.00 O ATOM 638 OE2 GLU A 43 7.056 2.464 -10.090 1.00 1.00 O ATOM 0 H GLU A 43 7.262 5.560 -5.138 1.00 1.00 H new ATOM 0 HA GLU A 43 5.910 4.718 -7.537 1.00 1.00 H new ATOM 0 HB2 GLU A 43 8.365 4.354 -6.981 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.870 3.211 -5.748 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.327 1.906 -7.738 1.00 1.00 H new ATOM 0 HG3 GLU A 43 6.584 1.933 -7.559 1.00 1.00 H new ATOM 645 N ILE A 44 5.251 3.243 -4.660 1.00 1.00 N ATOM 646 CA ILE A 44 4.326 2.330 -4.000 1.00 1.00 C ATOM 647 C ILE A 44 2.885 2.819 -4.108 1.00 1.00 C ATOM 648 O ILE A 44 1.981 2.044 -4.426 1.00 1.00 O ATOM 649 CB ILE A 44 4.701 2.191 -2.517 1.00 1.00 C ATOM 650 CG1 ILE A 44 6.063 1.467 -2.387 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.614 1.392 -1.775 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.865 -0.054 -2.401 1.00 1.00 C ATOM 0 H ILE A 44 5.919 3.697 -4.037 1.00 1.00 H new ATOM 0 HA ILE A 44 4.400 1.364 -4.499 1.00 1.00 H new ATOM 0 HB ILE A 44 4.779 3.184 -2.074 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.718 1.762 -3.206 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.555 1.767 -1.462 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.886 1.297 -0.724 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.660 1.913 -1.857 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.525 0.400 -2.218 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.832 -0.548 -2.309 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.228 -0.346 -1.566 1.00 1.00 H new ATOM 0 HD13 ILE A 44 5.394 -0.351 -3.338 1.00 1.00 H new ATOM 664 N VAL A 45 2.679 4.094 -3.826 1.00 1.00 N ATOM 665 CA VAL A 45 1.339 4.665 -3.875 1.00 1.00 C ATOM 666 C VAL A 45 0.744 4.504 -5.263 1.00 1.00 C ATOM 667 O VAL A 45 -0.422 4.143 -5.414 1.00 1.00 O ATOM 668 CB VAL A 45 1.395 6.149 -3.509 1.00 1.00 C ATOM 669 CG1 VAL A 45 2.238 6.901 -4.543 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.018 6.723 -3.491 1.00 1.00 C ATOM 0 H VAL A 45 3.414 4.751 -3.563 1.00 1.00 H new ATOM 0 HA VAL A 45 0.709 4.137 -3.159 1.00 1.00 H new ATOM 0 HB VAL A 45 1.846 6.261 -2.523 1.00 1.00 H new ATOM 0 HG11 VAL A 45 2.277 7.958 -4.281 1.00 1.00 H new ATOM 0 HG12 VAL A 45 3.249 6.493 -4.555 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.789 6.788 -5.530 1.00 1.00 H new ATOM 0 HG21 VAL A 45 0.022 7.781 -3.230 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.470 6.609 -4.477 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.618 6.190 -2.753 1.00 1.00 H new ATOM 680 N MET A 46 1.547 4.782 -6.279 1.00 1.00 N ATOM 681 CA MET A 46 1.076 4.671 -7.652 1.00 1.00 C ATOM 682 C MET A 46 0.698 3.241 -7.985 1.00 1.00 C ATOM 683 O MET A 46 -0.285 3.002 -8.685 1.00 1.00 O ATOM 684 CB MET A 46 2.164 5.163 -8.618 1.00 1.00 C ATOM 685 CG MET A 46 2.256 6.702 -8.594 1.00 1.00 C ATOM 686 SD MET A 46 0.648 7.457 -8.961 1.00 1.00 S ATOM 687 CE MET A 46 0.388 6.666 -10.564 1.00 1.00 C ATOM 0 H MET A 46 2.517 5.083 -6.182 1.00 1.00 H new ATOM 0 HA MET A 46 0.187 5.292 -7.759 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.126 4.732 -8.341 1.00 1.00 H new ATOM 0 HB3 MET A 46 1.941 4.822 -9.629 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.602 7.034 -7.615 1.00 1.00 H new ATOM 0 HG3 MET A 46 2.994 7.037 -9.323 1.00 1.00 H new ATOM 0 HE1 MET A 46 -0.279 7.280 -11.169 1.00 1.00 H new ATOM 0 HE2 MET A 46 1.344 6.557 -11.075 1.00 1.00 H new ATOM 0 HE3 MET A 46 -0.059 5.683 -10.416 1.00 1.00 H new ATOM 697 N ASN A 47 1.474 2.293 -7.486 1.00 1.00 N ATOM 698 CA ASN A 47 1.199 0.893 -7.747 1.00 1.00 C ATOM 699 C ASN A 47 -0.177 0.519 -7.206 1.00 1.00 C ATOM 700 O ASN A 47 -0.948 -0.172 -7.869 1.00 1.00 O ATOM 701 CB ASN A 47 2.280 0.032 -7.072 1.00 1.00 C ATOM 702 CG ASN A 47 3.533 -0.012 -7.938 1.00 1.00 C ATOM 703 OD1 ASN A 47 4.459 0.771 -7.739 1.00 1.00 O ATOM 704 ND2 ASN A 47 3.618 -0.896 -8.891 1.00 1.00 N ATOM 0 H ASN A 47 2.293 2.467 -6.903 1.00 1.00 H new ATOM 0 HA ASN A 47 1.210 0.716 -8.822 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.521 0.441 -6.091 1.00 1.00 H new ATOM 0 HB3 ASN A 47 1.904 -0.978 -6.912 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.454 -0.939 -9.474 1.00 1.00 H new ATOM 0 HD22 ASN A 47 2.848 -1.545 -9.055 1.00 1.00 H new ATOM 711 N LEU A 48 -0.489 0.985 -6.000 1.00 1.00 N ATOM 712 CA LEU A 48 -1.784 0.693 -5.392 1.00 1.00 C ATOM 713 C LEU A 48 -2.898 1.410 -6.143 1.00 1.00 C ATOM 714 O LEU A 48 -3.935 0.819 -6.437 1.00 1.00 O ATOM 715 CB LEU A 48 -1.774 1.149 -3.934 1.00 1.00 C ATOM 716 CG LEU A 48 -0.671 0.402 -3.178 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.452 1.058 -1.816 1.00 1.00 C ATOM 718 CD2 LEU A 48 -1.065 -1.065 -2.965 1.00 1.00 C ATOM 0 H LEU A 48 0.130 1.561 -5.429 1.00 1.00 H new ATOM 0 HA LEU A 48 -1.963 -0.381 -5.442 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.605 2.224 -3.878 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.743 0.954 -3.473 1.00 1.00 H new ATOM 0 HG LEU A 48 0.245 0.445 -3.768 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.333 0.526 -1.278 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -0.156 2.098 -1.956 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.377 1.019 -1.240 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.270 -1.581 -2.426 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.987 -1.114 -2.385 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.219 -1.545 -3.932 1.00 1.00 H new ATOM 730 N GLU A 49 -2.668 2.681 -6.454 1.00 1.00 N ATOM 731 CA GLU A 49 -3.655 3.471 -7.175 1.00 1.00 C ATOM 732 C GLU A 49 -3.834 2.923 -8.588 1.00 1.00 C ATOM 733 O GLU A 49 -4.951 2.837 -9.092 1.00 1.00 O ATOM 734 CB GLU A 49 -3.209 4.932 -7.247 1.00 1.00 C ATOM 735 CG GLU A 49 -4.329 5.784 -7.849 1.00 1.00 C ATOM 736 CD GLU A 49 -3.866 7.228 -7.999 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.840 7.563 -7.433 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.552 7.978 -8.675 1.00 1.00 O ATOM 0 H GLU A 49 -1.811 3.183 -6.219 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.605 3.411 -6.643 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.958 5.295 -6.250 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -2.308 5.018 -7.854 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.618 5.384 -8.821 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -5.212 5.741 -7.211 1.00 1.00 H new ATOM 745 N GLU A 50 -2.720 2.563 -9.223 1.00 1.00 N ATOM 746 CA GLU A 50 -2.767 2.031 -10.578 1.00 1.00 C ATOM 747 C GLU A 50 -3.431 0.655 -10.592 1.00 1.00 C ATOM 748 O GLU A 50 -4.238 0.358 -11.476 1.00 1.00 O ATOM 749 CB GLU A 50 -1.351 1.915 -11.143 1.00 1.00 C ATOM 750 CG GLU A 50 -1.416 1.509 -12.616 1.00 1.00 C ATOM 751 CD GLU A 50 -0.012 1.424 -13.199 1.00 1.00 C ATOM 752 OE1 GLU A 50 0.933 1.455 -12.427 1.00 1.00 O ATOM 753 OE2 GLU A 50 0.102 1.327 -14.410 1.00 1.00 O ATOM 0 H GLU A 50 -1.784 2.630 -8.823 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.352 2.714 -11.194 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.829 2.866 -11.041 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.782 1.177 -10.577 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.917 0.546 -12.714 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -2.007 2.234 -13.175 1.00 1.00 H new ATOM 760 N GLU A 51 -3.081 -0.183 -9.617 1.00 1.00 N ATOM 761 CA GLU A 51 -3.646 -1.523 -9.542 1.00 1.00 C ATOM 762 C GLU A 51 -5.161 -1.460 -9.361 1.00 1.00 C ATOM 763 O GLU A 51 -5.912 -2.063 -10.127 1.00 1.00 O ATOM 764 CB GLU A 51 -3.033 -2.277 -8.362 1.00 1.00 C ATOM 765 CG GLU A 51 -3.477 -3.742 -8.398 1.00 1.00 C ATOM 766 CD GLU A 51 -2.988 -4.464 -7.152 1.00 1.00 C ATOM 767 OE1 GLU A 51 -2.727 -3.791 -6.168 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.898 -5.678 -7.192 1.00 1.00 O ATOM 0 H GLU A 51 -2.416 0.042 -8.877 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.421 -2.043 -10.473 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.946 -2.216 -8.404 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -3.342 -1.816 -7.424 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -4.564 -3.800 -8.459 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -3.081 -4.229 -9.289 1.00 1.00 H new ATOM 775 N PHE A 52 -5.601 -0.732 -8.336 1.00 1.00 N ATOM 776 CA PHE A 52 -7.033 -0.606 -8.061 1.00 1.00 C ATOM 777 C PHE A 52 -7.649 0.498 -8.911 1.00 1.00 C ATOM 778 O PHE A 52 -8.865 0.691 -8.910 1.00 1.00 O ATOM 779 CB PHE A 52 -7.247 -0.301 -6.576 1.00 1.00 C ATOM 780 CG PHE A 52 -6.986 -1.551 -5.767 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.880 -2.630 -5.839 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.860 -1.630 -4.943 1.00 1.00 C ATOM 783 CE1 PHE A 52 -7.649 -3.780 -5.081 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.630 -2.784 -4.189 1.00 1.00 C ATOM 785 CZ PHE A 52 -6.525 -3.857 -4.262 1.00 1.00 C ATOM 0 H PHE A 52 -4.996 -0.226 -7.689 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.521 -1.548 -8.313 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.578 0.499 -6.257 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -8.266 0.049 -6.408 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -8.747 -2.571 -6.481 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -5.169 -0.801 -4.889 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -8.341 -4.608 -5.130 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.762 -2.848 -3.550 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.343 -4.749 -3.681 1.00 1.00 H new ATOM 795 N GLY A 53 -6.807 1.209 -9.651 1.00 1.00 N ATOM 796 CA GLY A 53 -7.287 2.283 -10.513 1.00 1.00 C ATOM 797 C GLY A 53 -8.177 3.248 -9.741 1.00 1.00 C ATOM 798 O GLY A 53 -9.248 3.621 -10.209 1.00 1.00 O ATOM 0 H GLY A 53 -5.798 1.064 -9.672 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.439 2.823 -10.934 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.843 1.861 -11.350 1.00 1.00 H new ATOM 802 N ILE A 54 -7.723 3.650 -8.557 1.00 1.00 N ATOM 803 CA ILE A 54 -8.483 4.580 -7.716 1.00 1.00 C ATOM 804 C ILE A 54 -7.799 5.941 -7.685 1.00 1.00 C ATOM 805 O ILE A 54 -6.999 6.256 -8.562 1.00 1.00 O ATOM 806 CB ILE A 54 -8.602 4.020 -6.297 1.00 1.00 C ATOM 807 CG1 ILE A 54 -7.214 3.654 -5.771 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.494 2.783 -6.312 1.00 1.00 C ATOM 809 CD1 ILE A 54 -7.291 3.301 -4.288 1.00 1.00 C ATOM 0 H ILE A 54 -6.835 3.349 -8.156 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.482 4.700 -8.136 1.00 1.00 H new ATOM 0 HB ILE A 54 -9.043 4.773 -5.644 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.814 2.810 -6.333 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.529 4.489 -5.919 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.579 2.384 -5.301 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.484 3.053 -6.680 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -9.057 2.027 -6.965 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.297 3.042 -3.924 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.671 4.157 -3.730 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.961 2.452 -4.150 1.00 1.00 H new ATOM 821 N ASN A 55 -8.125 6.742 -6.677 1.00 1.00 N ATOM 822 CA ASN A 55 -7.541 8.072 -6.535 1.00 1.00 C ATOM 823 C ASN A 55 -7.050 8.283 -5.110 1.00 1.00 C ATOM 824 O ASN A 55 -7.842 8.486 -4.197 1.00 1.00 O ATOM 825 CB ASN A 55 -8.588 9.133 -6.880 1.00 1.00 C ATOM 826 CG ASN A 55 -9.724 9.105 -5.862 1.00 1.00 C ATOM 827 OD1 ASN A 55 -10.253 10.155 -5.495 1.00 1.00 O ATOM 828 ND2 ASN A 55 -10.129 7.963 -5.379 1.00 1.00 N ATOM 0 H ASN A 55 -8.791 6.494 -5.945 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.695 8.160 -7.216 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -8.125 10.120 -6.892 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.982 8.953 -7.880 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.886 7.938 -4.696 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.689 7.095 -5.685 1.00 1.00 H new ATOM 835 N VAL A 56 -5.734 8.243 -4.928 1.00 1.00 N ATOM 836 CA VAL A 56 -5.135 8.438 -3.605 1.00 1.00 C ATOM 837 C VAL A 56 -4.234 9.665 -3.618 1.00 1.00 C ATOM 838 O VAL A 56 -3.372 9.809 -4.485 1.00 1.00 O ATOM 839 CB VAL A 56 -4.323 7.199 -3.216 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.070 7.102 -4.084 1.00 1.00 C ATOM 841 CG2 VAL A 56 -3.924 7.302 -1.741 1.00 1.00 C ATOM 0 H VAL A 56 -5.060 8.078 -5.676 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.929 8.589 -2.873 1.00 1.00 H new ATOM 0 HB VAL A 56 -4.928 6.306 -3.371 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.499 6.218 -3.801 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -3.359 7.027 -5.132 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -2.457 7.992 -3.939 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.346 6.422 -1.458 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -3.321 8.197 -1.589 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -4.821 7.360 -1.125 1.00 1.00 H new ATOM 851 N ASP A 57 -4.441 10.550 -2.649 1.00 1.00 N ATOM 852 CA ASP A 57 -3.645 11.768 -2.551 1.00 1.00 C ATOM 853 C ASP A 57 -2.352 11.500 -1.788 1.00 1.00 C ATOM 854 O ASP A 57 -2.200 10.461 -1.141 1.00 1.00 O ATOM 855 CB ASP A 57 -4.445 12.856 -1.837 1.00 1.00 C ATOM 856 CG ASP A 57 -5.581 13.339 -2.734 1.00 1.00 C ATOM 857 OD1 ASP A 57 -5.563 13.008 -3.908 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.451 14.030 -2.233 1.00 1.00 O ATOM 0 H ASP A 57 -5.150 10.448 -1.923 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.397 12.102 -3.558 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -4.848 12.468 -0.902 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -3.792 13.691 -1.581 1.00 1.00 H new ATOM 863 N GLU A 58 -1.424 12.446 -1.860 1.00 1.00 N ATOM 864 CA GLU A 58 -0.149 12.310 -1.166 1.00 1.00 C ATOM 865 C GLU A 58 -0.353 12.364 0.344 1.00 1.00 C ATOM 866 O GLU A 58 0.391 11.743 1.104 1.00 1.00 O ATOM 867 CB GLU A 58 0.803 13.431 -1.598 1.00 1.00 C ATOM 868 CG GLU A 58 0.120 14.785 -1.404 1.00 1.00 C ATOM 869 CD GLU A 58 1.080 15.912 -1.773 1.00 1.00 C ATOM 870 OE1 GLU A 58 2.244 15.621 -1.996 1.00 1.00 O ATOM 871 OE2 GLU A 58 0.639 17.048 -1.819 1.00 1.00 O ATOM 0 H GLU A 58 -1.529 13.312 -2.389 1.00 1.00 H new ATOM 0 HA GLU A 58 0.285 11.345 -1.427 1.00 1.00 H new ATOM 0 HB2 GLU A 58 1.721 13.388 -1.012 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.085 13.301 -2.643 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -0.775 14.842 -2.023 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.201 14.894 -0.368 1.00 1.00 H new ATOM 878 N ASP A 59 -1.366 13.112 0.772 1.00 1.00 N ATOM 879 CA ASP A 59 -1.656 13.246 2.192 1.00 1.00 C ATOM 880 C ASP A 59 -2.201 11.939 2.742 1.00 1.00 C ATOM 881 O ASP A 59 -2.182 11.703 3.948 1.00 1.00 O ATOM 882 CB ASP A 59 -2.670 14.369 2.423 1.00 1.00 C ATOM 883 CG ASP A 59 -2.628 14.824 3.879 1.00 1.00 C ATOM 884 OD1 ASP A 59 -1.625 15.399 4.270 1.00 1.00 O ATOM 885 OD2 ASP A 59 -3.599 14.594 4.579 1.00 1.00 O ATOM 0 H ASP A 59 -1.995 13.631 0.159 1.00 1.00 H new ATOM 0 HA ASP A 59 -0.731 13.492 2.713 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -2.449 15.209 1.765 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.672 14.022 2.171 1.00 1.00 H new ATOM 890 N LYS A 60 -2.701 11.092 1.850 1.00 1.00 N ATOM 891 CA LYS A 60 -3.252 9.813 2.258 1.00 1.00 C ATOM 892 C LYS A 60 -2.177 8.739 2.252 1.00 1.00 C ATOM 893 O LYS A 60 -2.382 7.654 2.781 1.00 1.00 O ATOM 894 CB LYS A 60 -4.402 9.419 1.306 1.00 1.00 C ATOM 895 CG LYS A 60 -5.764 9.669 1.970 1.00 1.00 C ATOM 896 CD LYS A 60 -5.980 8.679 3.131 1.00 1.00 C ATOM 897 CE LYS A 60 -7.468 8.534 3.412 1.00 1.00 C ATOM 898 NZ LYS A 60 -8.021 9.856 3.811 1.00 1.00 N ATOM 0 H LYS A 60 -2.735 11.269 0.846 1.00 1.00 H new ATOM 0 HA LYS A 60 -3.638 9.904 3.273 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -4.330 9.994 0.383 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.312 8.367 1.034 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -5.813 10.693 2.341 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -6.561 9.558 1.235 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.552 7.709 2.879 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -5.464 9.033 4.024 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -7.983 8.163 2.526 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -7.631 7.804 4.205 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -8.950 9.723 4.259 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -7.374 10.314 4.484 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -8.126 10.457 2.969 1.00 1.00 H new ATOM 912 N ALA A 61 -1.043 9.048 1.649 1.00 1.00 N ATOM 913 CA ALA A 61 0.065 8.097 1.576 1.00 1.00 C ATOM 914 C ALA A 61 1.327 8.716 2.154 1.00 1.00 C ATOM 915 O ALA A 61 2.430 8.388 1.731 1.00 1.00 O ATOM 916 CB ALA A 61 0.305 7.695 0.122 1.00 1.00 C ATOM 0 H ALA A 61 -0.860 9.946 1.202 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.191 7.211 2.157 1.00 1.00 H new ATOM 0 HB1 ALA A 61 1.132 6.986 0.072 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -0.595 7.231 -0.281 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.550 8.580 -0.465 1.00 1.00 H new ATOM 922 N GLN A 62 1.160 9.616 3.120 1.00 1.00 N ATOM 923 CA GLN A 62 2.304 10.278 3.748 1.00 1.00 C ATOM 924 C GLN A 62 2.639 9.626 5.084 1.00 1.00 C ATOM 925 O GLN A 62 3.808 9.493 5.442 1.00 1.00 O ATOM 926 CB GLN A 62 1.989 11.757 3.965 1.00 1.00 C ATOM 927 CG GLN A 62 0.817 11.900 4.938 1.00 1.00 C ATOM 928 CD GLN A 62 0.394 13.359 5.038 1.00 1.00 C ATOM 929 OE1 GLN A 62 -0.651 13.665 5.613 1.00 1.00 O ATOM 930 NE2 GLN A 62 1.149 14.284 4.513 1.00 1.00 N ATOM 0 H GLN A 62 0.251 9.903 3.484 1.00 1.00 H new ATOM 0 HA GLN A 62 3.165 10.179 3.087 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.866 12.271 4.359 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.744 12.229 3.014 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.022 11.292 4.600 1.00 1.00 H new ATOM 0 HG3 GLN A 62 1.104 11.528 5.922 1.00 1.00 H new ATOM 0 HE21 GLN A 62 2.014 14.027 4.037 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.874 15.264 4.578 1.00 1.00 H new ATOM 939 N ASP A 63 1.604 9.228 5.820 1.00 1.00 N ATOM 940 CA ASP A 63 1.800 8.599 7.127 1.00 1.00 C ATOM 941 C ASP A 63 0.790 7.484 7.347 1.00 1.00 C ATOM 942 O ASP A 63 0.022 7.509 8.308 1.00 1.00 O ATOM 943 CB ASP A 63 1.652 9.646 8.232 1.00 1.00 C ATOM 944 CG ASP A 63 2.006 9.030 9.581 1.00 1.00 C ATOM 945 OD1 ASP A 63 2.569 7.946 9.585 1.00 1.00 O ATOM 946 OD2 ASP A 63 1.707 9.647 10.588 1.00 1.00 O ATOM 0 H ASP A 63 0.629 9.328 5.538 1.00 1.00 H new ATOM 0 HA ASP A 63 2.803 8.172 7.156 1.00 1.00 H new ATOM 0 HB2 ASP A 63 2.303 10.496 8.029 1.00 1.00 H new ATOM 0 HB3 ASP A 63 0.630 10.024 8.252 1.00 1.00 H new ATOM 951 N ILE A 64 0.803 6.499 6.454 1.00 1.00 N ATOM 952 CA ILE A 64 -0.108 5.360 6.561 1.00 1.00 C ATOM 953 C ILE A 64 0.521 4.242 7.379 1.00 1.00 C ATOM 954 O ILE A 64 1.664 3.853 7.148 1.00 1.00 O ATOM 955 CB ILE A 64 -0.466 4.841 5.169 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.284 5.906 4.419 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.289 3.557 5.287 1.00 1.00 C ATOM 958 CD1 ILE A 64 -2.622 6.185 5.144 1.00 1.00 C ATOM 0 H ILE A 64 1.431 6.465 5.651 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.015 5.694 7.066 1.00 1.00 H new ATOM 0 HB ILE A 64 0.451 4.630 4.620 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.707 6.828 4.344 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.480 5.569 3.401 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.540 3.193 4.291 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.708 2.800 5.814 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.205 3.762 5.840 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.183 6.941 4.595 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.206 5.266 5.196 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.421 6.544 6.153 1.00 1.00 H new ATOM 970 N SER A 65 -0.246 3.725 8.328 1.00 1.00 N ATOM 971 CA SER A 65 0.235 2.638 9.177 1.00 1.00 C ATOM 972 C SER A 65 0.558 1.414 8.326 1.00 1.00 C ATOM 973 O SER A 65 0.585 1.488 7.101 1.00 1.00 O ATOM 974 CB SER A 65 -0.824 2.276 10.230 1.00 1.00 C ATOM 975 OG SER A 65 -1.440 1.040 9.893 1.00 1.00 O ATOM 0 H SER A 65 -1.196 4.035 8.531 1.00 1.00 H new ATOM 0 HA SER A 65 1.140 2.968 9.686 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.361 2.205 11.214 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.576 3.063 10.288 1.00 1.00 H new ATOM 0 HG SER A 65 -2.113 0.815 10.569 1.00 1.00 H new ATOM 981 N THR A 66 0.810 0.291 8.990 1.00 1.00 N ATOM 982 CA THR A 66 1.131 -0.947 8.293 1.00 1.00 C ATOM 983 C THR A 66 0.108 -1.228 7.197 1.00 1.00 C ATOM 984 O THR A 66 -0.754 -0.398 6.911 1.00 1.00 O ATOM 985 CB THR A 66 1.147 -2.114 9.288 1.00 1.00 C ATOM 986 OG1 THR A 66 1.465 -3.318 8.605 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.224 -2.281 9.938 1.00 1.00 C ATOM 0 H THR A 66 0.798 0.213 10.007 1.00 1.00 H new ATOM 0 HA THR A 66 2.115 -0.841 7.836 1.00 1.00 H new ATOM 0 HB THR A 66 1.892 -1.900 10.054 1.00 1.00 H new ATOM 0 HG1 THR A 66 0.665 -3.882 8.546 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.194 -3.113 10.641 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.489 -1.367 10.469 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.969 -2.482 9.169 1.00 1.00 H new ATOM 995 N ILE A 67 0.224 -2.391 6.571 1.00 1.00 N ATOM 996 CA ILE A 67 -0.681 -2.752 5.488 1.00 1.00 C ATOM 997 C ILE A 67 -2.132 -2.736 5.958 1.00 1.00 C ATOM 998 O ILE A 67 -3.052 -2.578 5.152 1.00 1.00 O ATOM 999 CB ILE A 67 -0.326 -4.138 4.949 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.084 -4.106 4.336 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.335 -4.549 3.880 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.550 -5.541 4.053 1.00 1.00 C ATOM 0 H ILE A 67 0.929 -3.095 6.791 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.570 -2.015 4.693 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.352 -4.859 5.766 1.00 1.00 H new ATOM 0 HG12 ILE A 67 1.078 -3.525 3.414 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.778 -3.614 5.018 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -1.079 -5.537 3.498 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.334 -4.576 4.314 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.314 -3.828 3.063 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.549 -5.520 3.618 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.571 -6.107 4.984 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.861 -6.016 3.355 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.337 -2.922 7.253 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.690 -2.945 7.805 1.00 1.00 C ATOM 1016 C GLN A 68 -4.461 -1.696 7.404 1.00 1.00 C ATOM 1017 O GLN A 68 -5.540 -1.783 6.819 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.621 -3.035 9.334 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.267 -4.468 9.762 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.539 -5.307 9.851 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.021 -5.583 10.948 1.00 1.00 O ATOM 1022 NE2 GLN A 68 -5.126 -5.708 8.758 1.00 1.00 N ATOM 0 H GLN A 68 -1.594 -3.058 7.939 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.210 -3.816 7.406 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.874 -2.338 9.714 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.578 -2.743 9.767 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.576 -4.912 9.045 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -2.760 -4.455 10.727 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.724 -5.478 7.849 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -5.987 -6.252 8.812 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.909 -0.536 7.733 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.567 0.725 7.407 1.00 1.00 C ATOM 1033 C GLN A 69 -4.559 0.972 5.909 1.00 1.00 C ATOM 1034 O GLN A 69 -5.539 1.460 5.344 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.862 1.881 8.134 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.394 1.994 9.571 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.828 2.509 9.550 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -6.678 2.010 10.287 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -6.147 3.489 8.750 1.00 1.00 N ATOM 0 H GLN A 69 -3.018 -0.440 8.220 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.605 0.667 7.736 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -2.785 1.711 8.147 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.031 2.816 7.599 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -4.354 1.021 10.061 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.764 2.669 10.150 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -5.440 3.900 8.140 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -7.103 3.844 8.734 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.447 0.645 5.270 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.329 0.855 3.829 1.00 1.00 C ATOM 1050 C ALA A 70 -4.464 0.168 3.088 1.00 1.00 C ATOM 1051 O ALA A 70 -5.093 0.762 2.214 1.00 1.00 O ATOM 1052 CB ALA A 70 -1.993 0.309 3.340 1.00 1.00 C ATOM 0 H ALA A 70 -2.623 0.239 5.714 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.384 1.925 3.630 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -1.907 0.467 2.265 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.180 0.827 3.849 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.935 -0.758 3.556 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.728 -1.079 3.447 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.801 -1.829 2.811 1.00 1.00 C ATOM 1060 C ALA A 71 -7.145 -1.165 3.081 1.00 1.00 C ATOM 1061 O ALA A 71 -8.002 -1.103 2.203 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.819 -3.262 3.345 1.00 1.00 C ATOM 0 H ALA A 71 -4.219 -1.590 4.169 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.626 -1.845 1.735 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.624 -3.819 2.866 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.865 -3.743 3.128 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.980 -3.247 4.423 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.324 -0.669 4.300 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.575 -0.014 4.669 1.00 1.00 C ATOM 1070 C ASP A 72 -8.756 1.279 3.879 1.00 1.00 C ATOM 1071 O ASP A 72 -9.866 1.620 3.472 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.574 0.293 6.178 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.042 -0.927 6.964 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.043 -1.506 6.575 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.398 -1.261 7.945 1.00 1.00 O ATOM 0 H ASP A 72 -6.627 -0.707 5.044 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.403 -0.683 4.435 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.572 0.578 6.498 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.228 1.140 6.385 1.00 1.00 H new ATOM 1080 N VAL A 73 -7.656 1.994 3.665 1.00 1.00 N ATOM 1081 CA VAL A 73 -7.709 3.245 2.923 1.00 1.00 C ATOM 1082 C VAL A 73 -8.172 2.992 1.492 1.00 1.00 C ATOM 1083 O VAL A 73 -9.012 3.721 0.959 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.322 3.910 2.919 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.278 5.024 1.865 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.034 4.514 4.303 1.00 1.00 C ATOM 0 H VAL A 73 -6.726 1.731 3.992 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.422 3.912 3.408 1.00 1.00 H new ATOM 0 HB VAL A 73 -5.570 3.157 2.682 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.293 5.490 1.869 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.476 4.601 0.880 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.035 5.774 2.096 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.051 4.984 4.297 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -6.792 5.261 4.539 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.055 3.726 5.055 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.617 1.957 0.875 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.974 1.619 -0.496 1.00 1.00 C ATOM 1098 C ILE A 74 -9.449 1.249 -0.583 1.00 1.00 C ATOM 1099 O ILE A 74 -10.147 1.661 -1.511 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.110 0.456 -0.993 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.669 0.937 -1.184 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.657 -0.065 -2.325 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.741 -0.267 -1.297 1.00 1.00 C ATOM 0 H ILE A 74 -6.923 1.341 1.298 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.794 2.489 -1.128 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.132 -0.348 -0.258 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.596 1.551 -2.081 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.369 1.563 -0.344 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -7.039 -0.892 -2.674 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.681 -0.411 -2.187 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.641 0.737 -3.063 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.715 0.076 -1.433 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.807 -0.864 -0.387 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -5.037 -0.875 -2.152 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.918 0.478 0.389 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.313 0.063 0.412 1.00 1.00 C ATOM 1117 C GLU A 75 -12.234 1.267 0.260 1.00 1.00 C ATOM 1118 O GLU A 75 -13.172 1.242 -0.539 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.621 -0.664 1.724 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.050 -2.081 1.674 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.282 -2.777 3.006 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -11.843 -2.153 3.893 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -10.898 -3.925 3.119 1.00 1.00 O ATOM 0 H GLU A 75 -9.357 0.130 1.166 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.485 -0.615 -0.424 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.191 -0.118 2.563 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.698 -0.701 1.886 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -11.524 -2.646 0.871 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -9.983 -2.046 1.453 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.959 2.314 1.023 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.768 3.521 0.961 1.00 1.00 C ATOM 1132 C GLY A 76 -12.612 4.218 -0.390 1.00 1.00 C ATOM 1133 O GLY A 76 -13.579 4.734 -0.951 1.00 1.00 O ATOM 0 H GLY A 76 -11.187 2.352 1.688 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.816 3.269 1.125 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.474 4.201 1.761 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.386 4.232 -0.899 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.102 4.866 -2.185 1.00 1.00 C ATOM 1139 C LEU A 77 -11.786 4.123 -3.319 1.00 1.00 C ATOM 1140 O LEU A 77 -12.178 4.719 -4.320 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.592 4.912 -2.426 1.00 1.00 C ATOM 1142 CG LEU A 77 -8.943 5.900 -1.442 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.422 5.743 -1.494 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.324 7.348 -1.814 1.00 1.00 C ATOM 0 H LEU A 77 -10.574 3.814 -0.445 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.492 5.883 -2.157 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.162 3.919 -2.296 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.386 5.217 -3.452 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.301 5.687 -0.435 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -6.960 6.442 -0.797 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.152 4.724 -1.218 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.069 5.951 -2.504 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -8.859 8.039 -1.111 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -8.975 7.568 -2.823 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.407 7.462 -1.772 1.00 1.00 H new ATOM 1156 N LEU A 78 -11.921 2.820 -3.158 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.556 1.999 -4.176 1.00 1.00 C ATOM 1158 C LEU A 78 -14.002 2.411 -4.378 1.00 1.00 C ATOM 1159 O LEU A 78 -14.517 2.362 -5.495 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.481 0.515 -3.774 1.00 1.00 C ATOM 1161 CG LEU A 78 -11.137 -0.087 -4.205 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.920 -1.423 -3.484 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -11.127 -0.325 -5.726 1.00 1.00 C ATOM 0 H LEU A 78 -11.601 2.307 -2.336 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.025 2.144 -5.117 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.602 0.417 -2.695 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.299 -0.036 -4.238 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.338 0.608 -3.945 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.965 -1.851 -3.790 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.915 -1.258 -2.407 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.725 -2.111 -3.742 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -10.169 -0.752 -6.021 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.929 -1.014 -5.992 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.276 0.623 -6.244 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.655 2.806 -3.298 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.043 3.208 -3.382 1.00 1.00 C ATOM 1177 C GLU A 79 -16.185 4.443 -4.262 1.00 1.00 C ATOM 1178 O GLU A 79 -16.927 4.437 -5.248 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.583 3.504 -1.977 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.054 2.464 -0.999 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.841 2.515 0.305 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -17.765 3.307 0.386 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -16.507 1.763 1.206 1.00 1.00 O ATOM 0 H GLU A 79 -14.249 2.856 -2.364 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.618 2.395 -3.825 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.279 4.502 -1.662 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.673 3.490 -1.985 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -16.130 1.470 -1.439 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -14.997 2.645 -0.801 1.00 1.00 H new