USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 826 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 16 TYR OH : rot -159:sc= 2.1 USER MOD Set 1.2: A 34 LYS NZ :NH3+ -114:sc= -0.68 (180deg=-4.61!) USER MOD Set 2.1: A 31 MET CE :methyl -172:sc= -0.921 (180deg=-1.37!) USER MOD Set 2.2: A 79 TYR OH : rot -136:sc= 1.11 USER MOD Set 3.1: A 3 THR OG1 : rot 180:sc= 1.04 USER MOD Set 3.2: A 28 CYS SG : rot 77:sc= -2.13! USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ -152:sc= 0.347 (180deg=0.103) USER MOD Single : A 2 MET CE :methyl 157:sc= -0.204 (180deg=-0.78) USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -150:sc= -1.67! USER MOD Single : A 9 TYR OH : rot -102:sc= 0.698 USER MOD Single : A 11 GLN : amide:sc= 0.891 K(o=0.89,f=-0.63) USER MOD Single : A 12 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.066) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= -5.08! C(o=-5.1!,f=-7.4!) USER MOD Single : A 20 MET CE :methyl -164:sc= -0.0649 (180deg=-0.394) USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.11) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -1.13! C(o=-1.1!,f=-4.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 0.12 (180deg=-0.0271) USER MOD Single : A 68 SER OG : rot 29:sc= 0.883 USER MOD Single : A 69 THR OG1 : rot -170:sc= -1.01 USER MOD Single : A 71 MET CE :methyl -140:sc= 0 (180deg=-0.961) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 31:sc= 0.256 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -35:sc= 0.0153 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 2.388 8.317 -12.141 1.00 0.00 N ATOM 2 CA HIS A 1 1.344 7.829 -11.248 1.00 0.00 C ATOM 3 C HIS A 1 1.707 8.174 -9.816 1.00 0.00 C ATOM 4 O HIS A 1 2.669 7.653 -9.288 1.00 0.00 O ATOM 5 CB HIS A 1 1.170 6.294 -11.363 1.00 0.00 C ATOM 6 CG HIS A 1 0.767 5.756 -12.707 1.00 0.00 C ATOM 7 ND1 HIS A 1 -0.541 5.529 -13.094 1.00 0.00 N ATOM 8 CD2 HIS A 1 1.535 5.336 -13.738 1.00 0.00 C ATOM 9 CE1 HIS A 1 -0.524 4.988 -14.309 1.00 0.00 C ATOM 10 NE2 HIS A 1 0.714 4.848 -14.751 1.00 0.00 N ATOM 0 H1 HIS A 1 1.978 8.524 -13.074 1.00 0.00 H new ATOM 0 H2 HIS A 1 2.806 9.184 -11.746 1.00 0.00 H new ATOM 0 H3 HIS A 1 3.126 7.592 -12.241 1.00 0.00 H new ATOM 0 HA HIS A 1 0.406 8.306 -11.534 1.00 0.00 H new ATOM 0 HB2 HIS A 1 2.111 5.823 -11.077 1.00 0.00 H new ATOM 0 HB3 HIS A 1 0.422 5.981 -10.634 1.00 0.00 H new ATOM 0 HD2 HIS A 1 2.614 5.373 -13.770 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -1.406 4.701 -14.862 1.00 0.00 H new ATOM 0 HE2 HIS A 1 1.007 4.462 -15.649 1.00 0.00 H new ATOM 18 N MET A 2 0.968 9.083 -9.212 1.00 0.00 N ATOM 19 CA MET A 2 1.165 9.475 -7.838 1.00 0.00 C ATOM 20 C MET A 2 -0.217 9.638 -7.225 1.00 0.00 C ATOM 21 O MET A 2 -1.075 10.289 -7.814 1.00 0.00 O ATOM 22 CB MET A 2 1.918 10.825 -7.702 1.00 0.00 C ATOM 23 CG MET A 2 3.276 10.946 -8.414 1.00 0.00 C ATOM 24 SD MET A 2 3.152 11.127 -10.225 1.00 0.00 S ATOM 25 CE MET A 2 2.255 12.682 -10.351 1.00 0.00 C ATOM 0 H MET A 2 0.203 9.576 -9.673 1.00 0.00 H new ATOM 0 HA MET A 2 1.768 8.715 -7.341 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.267 11.614 -8.079 1.00 0.00 H new ATOM 0 HB3 MET A 2 2.074 11.020 -6.641 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.811 11.805 -8.009 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.873 10.063 -8.188 1.00 0.00 H new ATOM 0 HE1 MET A 2 2.447 13.135 -11.324 1.00 0.00 H new ATOM 0 HE2 MET A 2 1.187 12.496 -10.242 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.588 13.359 -9.564 1.00 0.00 H new ATOM 35 N THR A 3 -0.456 9.036 -6.098 1.00 0.00 N ATOM 36 CA THR A 3 -1.748 9.148 -5.457 1.00 0.00 C ATOM 37 C THR A 3 -1.656 9.727 -4.054 1.00 0.00 C ATOM 38 O THR A 3 -0.998 9.172 -3.175 1.00 0.00 O ATOM 39 CB THR A 3 -2.509 7.799 -5.462 1.00 0.00 C ATOM 40 OG1 THR A 3 -2.814 7.450 -6.816 1.00 0.00 O ATOM 41 CG2 THR A 3 -3.808 7.880 -4.676 1.00 0.00 C ATOM 0 H THR A 3 0.221 8.461 -5.598 1.00 0.00 H new ATOM 0 HA THR A 3 -2.325 9.856 -6.051 1.00 0.00 H new ATOM 0 HB THR A 3 -1.873 7.048 -4.992 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.295 6.596 -6.833 1.00 0.00 H new ATOM 0 HG21 THR A 3 -4.311 6.914 -4.704 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.591 8.146 -3.641 1.00 0.00 H new ATOM 0 HG23 THR A 3 -4.454 8.638 -5.118 1.00 0.00 H new ATOM 49 N PHE A 4 -2.274 10.883 -3.876 1.00 0.00 N ATOM 50 CA PHE A 4 -2.324 11.541 -2.583 1.00 0.00 C ATOM 51 C PHE A 4 -3.762 11.838 -2.221 1.00 0.00 C ATOM 52 O PHE A 4 -4.048 12.431 -1.193 1.00 0.00 O ATOM 53 CB PHE A 4 -1.542 12.847 -2.612 1.00 0.00 C ATOM 54 CG PHE A 4 -0.140 12.671 -3.075 1.00 0.00 C ATOM 55 CD1 PHE A 4 0.827 12.225 -2.210 1.00 0.00 C ATOM 56 CD2 PHE A 4 0.201 12.915 -4.392 1.00 0.00 C ATOM 57 CE1 PHE A 4 2.107 12.017 -2.646 1.00 0.00 C ATOM 58 CE2 PHE A 4 1.481 12.718 -4.828 1.00 0.00 C ATOM 59 CZ PHE A 4 2.432 12.263 -3.954 1.00 0.00 C ATOM 0 H PHE A 4 -2.753 11.389 -4.621 1.00 0.00 H new ATOM 0 HA PHE A 4 -1.879 10.877 -1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.050 13.554 -3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.538 13.284 -1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.576 12.037 -1.177 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.552 13.265 -5.083 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.860 11.659 -1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.741 12.920 -5.857 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.443 12.097 -4.297 1.00 0.00 H new ATOM 69 N CYS A 5 -4.665 11.426 -3.074 1.00 0.00 N ATOM 70 CA CYS A 5 -6.065 11.654 -2.851 1.00 0.00 C ATOM 71 C CYS A 5 -6.634 10.532 -1.999 1.00 0.00 C ATOM 72 O CYS A 5 -7.002 9.496 -2.510 1.00 0.00 O ATOM 73 CB CYS A 5 -6.801 11.752 -4.184 1.00 0.00 C ATOM 74 SG CYS A 5 -6.141 13.018 -5.289 1.00 0.00 S ATOM 0 H CYS A 5 -4.450 10.926 -3.937 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.199 12.597 -2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -6.755 10.785 -4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -7.853 11.962 -3.993 1.00 0.00 H new ATOM 0 HG CYS A 5 -6.824 13.028 -6.395 1.00 0.00 H new ATOM 80 N LEU A 6 -6.636 10.737 -0.698 1.00 0.00 N ATOM 81 CA LEU A 6 -7.102 9.739 0.238 1.00 0.00 C ATOM 82 C LEU A 6 -8.610 9.763 0.477 1.00 0.00 C ATOM 83 O LEU A 6 -9.246 8.733 0.609 1.00 0.00 O ATOM 84 CB LEU A 6 -6.296 9.732 1.594 1.00 0.00 C ATOM 85 CG LEU A 6 -6.003 11.031 2.423 1.00 0.00 C ATOM 86 CD1 LEU A 6 -5.078 12.016 1.732 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.262 11.720 2.925 1.00 0.00 C ATOM 0 H LEU A 6 -6.314 11.601 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.894 8.792 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.822 9.051 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.328 9.280 1.376 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.462 10.665 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.928 12.885 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.118 11.538 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.523 12.333 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.988 12.611 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.884 12.005 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.818 11.038 3.569 1.00 0.00 H new ATOM 99 N GLU A 7 -9.185 10.930 0.454 1.00 0.00 N ATOM 100 CA GLU A 7 -10.600 11.075 0.737 1.00 0.00 C ATOM 101 C GLU A 7 -11.436 10.743 -0.489 1.00 0.00 C ATOM 102 O GLU A 7 -12.620 10.391 -0.399 1.00 0.00 O ATOM 103 CB GLU A 7 -10.852 12.469 1.361 1.00 0.00 C ATOM 104 CG GLU A 7 -12.296 12.885 1.604 1.00 0.00 C ATOM 105 CD GLU A 7 -12.860 13.687 0.459 1.00 0.00 C ATOM 106 OE1 GLU A 7 -12.393 14.832 0.253 1.00 0.00 O ATOM 107 OE2 GLU A 7 -13.766 13.210 -0.247 1.00 0.00 O ATOM 0 H GLU A 7 -8.702 11.803 0.242 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.928 10.350 1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.326 12.509 2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.393 13.215 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.907 11.996 1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.353 13.473 2.520 1.00 0.00 H new ATOM 114 N THR A 8 -10.779 10.738 -1.609 1.00 0.00 N ATOM 115 CA THR A 8 -11.380 10.408 -2.861 1.00 0.00 C ATOM 116 C THR A 8 -11.719 8.907 -2.893 1.00 0.00 C ATOM 117 O THR A 8 -12.636 8.472 -3.594 1.00 0.00 O ATOM 118 CB THR A 8 -10.397 10.764 -3.973 1.00 0.00 C ATOM 119 OG1 THR A 8 -9.964 12.118 -3.761 1.00 0.00 O ATOM 120 CG2 THR A 8 -11.035 10.656 -5.343 1.00 0.00 C ATOM 0 H THR A 8 -9.788 10.969 -1.677 1.00 0.00 H new ATOM 0 HA THR A 8 -12.305 10.967 -3.001 1.00 0.00 H new ATOM 0 HB THR A 8 -9.561 10.066 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.750 12.532 -4.623 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.303 10.917 -6.107 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.379 9.634 -5.505 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.883 11.338 -5.404 1.00 0.00 H new ATOM 128 N TYR A 9 -11.040 8.137 -2.066 1.00 0.00 N ATOM 129 CA TYR A 9 -11.262 6.731 -2.027 1.00 0.00 C ATOM 130 C TYR A 9 -12.496 6.354 -1.267 1.00 0.00 C ATOM 131 O TYR A 9 -13.050 5.277 -1.482 1.00 0.00 O ATOM 132 CB TYR A 9 -10.033 5.961 -1.624 1.00 0.00 C ATOM 133 CG TYR A 9 -9.064 5.881 -2.766 1.00 0.00 C ATOM 134 CD1 TYR A 9 -9.358 5.105 -3.883 1.00 0.00 C ATOM 135 CD2 TYR A 9 -7.888 6.590 -2.757 1.00 0.00 C ATOM 136 CE1 TYR A 9 -8.498 5.046 -4.955 1.00 0.00 C ATOM 137 CE2 TYR A 9 -7.018 6.534 -3.822 1.00 0.00 C ATOM 138 CZ TYR A 9 -7.328 5.764 -4.921 1.00 0.00 C ATOM 139 OH TYR A 9 -6.456 5.704 -5.989 1.00 0.00 O ATOM 0 H TYR A 9 -10.331 8.476 -1.416 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.465 6.424 -3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.558 6.444 -0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.314 4.957 -1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -10.278 4.539 -3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.642 7.201 -1.901 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -8.741 4.440 -5.816 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.094 7.093 -3.796 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.712 5.104 -5.771 1.00 0.00 H new ATOM 149 N LEU A 10 -12.969 7.250 -0.417 1.00 0.00 N ATOM 150 CA LEU A 10 -14.205 7.006 0.300 1.00 0.00 C ATOM 151 C LEU A 10 -15.316 7.156 -0.718 1.00 0.00 C ATOM 152 O LEU A 10 -16.248 6.362 -0.773 1.00 0.00 O ATOM 153 CB LEU A 10 -14.384 8.029 1.450 1.00 0.00 C ATOM 154 CG LEU A 10 -15.485 7.760 2.521 1.00 0.00 C ATOM 155 CD1 LEU A 10 -15.309 8.711 3.692 1.00 0.00 C ATOM 156 CD2 LEU A 10 -16.897 7.929 1.968 1.00 0.00 C ATOM 0 H LEU A 10 -12.521 8.142 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.209 6.015 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.430 8.114 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.589 9.000 1.000 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.367 6.724 2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -16.081 8.518 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.327 8.559 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -15.392 9.740 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -17.623 7.730 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -17.026 8.949 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -17.052 7.229 1.147 1.00 0.00 H new ATOM 168 N GLN A 11 -15.122 8.129 -1.603 1.00 0.00 N ATOM 169 CA GLN A 11 -16.079 8.468 -2.628 1.00 0.00 C ATOM 170 C GLN A 11 -16.166 7.337 -3.626 1.00 0.00 C ATOM 171 O GLN A 11 -17.209 7.084 -4.220 1.00 0.00 O ATOM 172 CB GLN A 11 -15.649 9.754 -3.355 1.00 0.00 C ATOM 173 CG GLN A 11 -15.371 10.947 -2.443 1.00 0.00 C ATOM 174 CD GLN A 11 -16.513 11.272 -1.503 1.00 0.00 C ATOM 175 OE1 GLN A 11 -17.689 11.036 -1.807 1.00 0.00 O ATOM 176 NE2 GLN A 11 -16.190 11.844 -0.382 1.00 0.00 N ATOM 0 H GLN A 11 -14.281 8.707 -1.621 1.00 0.00 H new ATOM 0 HA GLN A 11 -17.052 8.630 -2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.751 9.543 -3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -16.429 10.031 -4.064 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.475 10.744 -1.856 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.158 11.821 -3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.210 12.023 -0.165 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.917 12.114 0.281 1.00 0.00 H new ATOM 185 N GLN A 12 -15.063 6.645 -3.790 1.00 0.00 N ATOM 186 CA GLN A 12 -14.990 5.558 -4.730 1.00 0.00 C ATOM 187 C GLN A 12 -15.275 4.221 -4.073 1.00 0.00 C ATOM 188 O GLN A 12 -15.354 3.198 -4.758 1.00 0.00 O ATOM 189 CB GLN A 12 -13.637 5.546 -5.444 1.00 0.00 C ATOM 190 CG GLN A 12 -13.335 6.828 -6.208 1.00 0.00 C ATOM 191 CD GLN A 12 -14.361 7.166 -7.283 1.00 0.00 C ATOM 192 OE1 GLN A 12 -14.614 8.338 -7.548 1.00 0.00 O ATOM 193 NE2 GLN A 12 -14.915 6.172 -7.940 1.00 0.00 N ATOM 0 H GLN A 12 -14.198 6.820 -3.278 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.768 5.719 -5.476 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.850 5.378 -4.709 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.610 4.706 -6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.279 7.656 -5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.353 6.739 -6.673 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.685 5.209 -7.697 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -15.575 6.364 -8.693 1.00 0.00 H new ATOM 202 N SER A 13 -15.428 4.242 -2.753 1.00 0.00 N ATOM 203 CA SER A 13 -15.697 3.055 -1.963 1.00 0.00 C ATOM 204 C SER A 13 -14.552 2.038 -2.120 1.00 0.00 C ATOM 205 O SER A 13 -14.762 0.829 -2.260 1.00 0.00 O ATOM 206 CB SER A 13 -17.061 2.468 -2.346 1.00 0.00 C ATOM 207 OG SER A 13 -18.087 3.450 -2.163 1.00 0.00 O ATOM 0 H SER A 13 -15.367 5.096 -2.199 1.00 0.00 H new ATOM 0 HA SER A 13 -15.744 3.321 -0.907 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.045 2.137 -3.384 1.00 0.00 H new ATOM 0 HB3 SER A 13 -17.273 1.591 -1.735 1.00 0.00 H new ATOM 0 HG SER A 13 -18.954 3.067 -2.412 1.00 0.00 H new ATOM 213 N GLY A 14 -13.347 2.553 -2.076 1.00 0.00 N ATOM 214 CA GLY A 14 -12.179 1.744 -2.226 1.00 0.00 C ATOM 215 C GLY A 14 -11.071 2.265 -1.380 1.00 0.00 C ATOM 216 O GLY A 14 -9.968 2.494 -1.869 1.00 0.00 O ATOM 0 H GLY A 14 -13.157 3.545 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.404 0.715 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.871 1.731 -3.271 1.00 0.00 H new ATOM 220 N GLU A 15 -11.395 2.494 -0.122 1.00 0.00 N ATOM 221 CA GLU A 15 -10.460 2.990 0.869 1.00 0.00 C ATOM 222 C GLU A 15 -9.245 2.055 0.989 1.00 0.00 C ATOM 223 O GLU A 15 -9.380 0.815 0.944 1.00 0.00 O ATOM 224 CB GLU A 15 -11.181 3.136 2.210 1.00 0.00 C ATOM 225 CG GLU A 15 -12.342 4.122 2.165 1.00 0.00 C ATOM 226 CD GLU A 15 -13.180 4.109 3.418 1.00 0.00 C ATOM 227 OE1 GLU A 15 -12.649 4.343 4.520 1.00 0.00 O ATOM 228 OE2 GLU A 15 -14.409 3.836 3.331 1.00 0.00 O ATOM 0 H GLU A 15 -12.333 2.338 0.247 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.087 3.966 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.554 2.161 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.466 3.461 2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.951 5.127 2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.976 3.889 1.309 1.00 0.00 H new ATOM 235 N TYR A 16 -8.093 2.641 1.105 1.00 0.00 N ATOM 236 CA TYR A 16 -6.839 1.914 1.175 1.00 0.00 C ATOM 237 C TYR A 16 -5.925 2.657 2.146 1.00 0.00 C ATOM 238 O TYR A 16 -4.713 2.475 2.171 1.00 0.00 O ATOM 239 CB TYR A 16 -6.254 1.872 -0.259 1.00 0.00 C ATOM 240 CG TYR A 16 -5.003 1.031 -0.498 1.00 0.00 C ATOM 241 CD1 TYR A 16 -5.033 -0.353 -0.401 1.00 0.00 C ATOM 242 CD2 TYR A 16 -3.809 1.632 -0.886 1.00 0.00 C ATOM 243 CE1 TYR A 16 -3.909 -1.115 -0.681 1.00 0.00 C ATOM 244 CE2 TYR A 16 -2.680 0.881 -1.158 1.00 0.00 C ATOM 245 CZ TYR A 16 -2.733 -0.491 -1.056 1.00 0.00 C ATOM 246 OH TYR A 16 -1.615 -1.251 -1.367 1.00 0.00 O ATOM 0 H TYR A 16 -7.984 3.654 1.155 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.958 0.892 1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.034 1.508 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.030 2.896 -0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.947 -0.845 -0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.763 2.707 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.952 -2.192 -0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.761 1.368 -1.449 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.810 -0.698 -1.283 1.00 0.00 H new ATOM 256 N GLU A 17 -6.548 3.454 2.973 1.00 0.00 N ATOM 257 CA GLU A 17 -5.875 4.278 3.927 1.00 0.00 C ATOM 258 C GLU A 17 -6.783 4.576 5.064 1.00 0.00 C ATOM 259 O GLU A 17 -7.945 4.188 5.054 1.00 0.00 O ATOM 260 CB GLU A 17 -5.445 5.599 3.327 1.00 0.00 C ATOM 261 CG GLU A 17 -6.565 6.514 2.812 1.00 0.00 C ATOM 262 CD GLU A 17 -7.158 6.119 1.473 1.00 0.00 C ATOM 263 OE1 GLU A 17 -8.075 5.288 1.437 1.00 0.00 O ATOM 264 OE2 GLU A 17 -6.690 6.650 0.453 1.00 0.00 O ATOM 0 H GLU A 17 -7.563 3.546 2.998 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.993 3.729 4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.876 6.146 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.765 5.393 2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.364 6.535 3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.176 7.529 2.734 1.00 0.00 H new ATOM 271 N ILE A 18 -6.298 5.329 6.036 1.00 0.00 N ATOM 272 CA ILE A 18 -7.152 5.649 7.114 1.00 0.00 C ATOM 273 C ILE A 18 -7.606 7.135 7.075 1.00 0.00 C ATOM 274 O ILE A 18 -7.904 7.753 8.089 1.00 0.00 O ATOM 275 CB ILE A 18 -6.680 5.122 8.527 1.00 0.00 C ATOM 276 CG1 ILE A 18 -7.799 5.255 9.596 1.00 0.00 C ATOM 277 CG2 ILE A 18 -5.401 5.792 8.984 1.00 0.00 C ATOM 278 CD1 ILE A 18 -7.438 4.720 10.971 1.00 0.00 C ATOM 0 H ILE A 18 -5.352 5.707 6.084 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.057 5.063 6.958 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.465 4.060 8.409 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.067 6.307 9.691 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.686 4.731 9.240 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.113 5.400 9.959 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.608 5.591 8.264 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.560 6.868 9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.281 4.857 11.648 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.200 3.659 10.898 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.573 5.260 11.356 1.00 0.00 H new ATOM 290 N HIS A 19 -7.681 7.674 5.850 1.00 0.00 N ATOM 291 CA HIS A 19 -8.119 9.076 5.572 1.00 0.00 C ATOM 292 C HIS A 19 -7.235 10.119 6.186 1.00 0.00 C ATOM 293 O HIS A 19 -7.602 11.287 6.288 1.00 0.00 O ATOM 294 CB HIS A 19 -9.571 9.317 5.948 1.00 0.00 C ATOM 295 CG HIS A 19 -10.514 8.816 4.935 1.00 0.00 C ATOM 296 ND1 HIS A 19 -11.063 7.564 4.938 1.00 0.00 N ATOM 297 CD2 HIS A 19 -10.992 9.434 3.843 1.00 0.00 C ATOM 298 CE1 HIS A 19 -11.836 7.459 3.870 1.00 0.00 C ATOM 299 NE2 HIS A 19 -11.827 8.577 3.170 1.00 0.00 N ATOM 0 H HIS A 19 -7.440 7.155 5.006 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.025 9.183 4.491 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.779 8.833 6.902 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -9.732 10.386 6.090 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -10.905 6.840 5.639 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -10.757 10.444 3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -12.399 6.576 3.606 1.00 0.00 H new ATOM 307 N MET A 20 -6.073 9.708 6.539 1.00 0.00 N ATOM 308 CA MET A 20 -5.098 10.576 7.101 1.00 0.00 C ATOM 309 C MET A 20 -4.292 11.284 6.002 1.00 0.00 C ATOM 310 O MET A 20 -4.837 12.092 5.266 1.00 0.00 O ATOM 311 CB MET A 20 -4.251 9.799 8.113 1.00 0.00 C ATOM 312 CG MET A 20 -4.846 9.754 9.511 1.00 0.00 C ATOM 313 SD MET A 20 -5.072 11.401 10.225 1.00 0.00 S ATOM 314 CE MET A 20 -3.371 11.979 10.321 1.00 0.00 C ATOM 0 H MET A 20 -5.764 8.741 6.445 1.00 0.00 H new ATOM 0 HA MET A 20 -5.579 11.383 7.654 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.118 8.779 7.753 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.260 10.251 8.165 1.00 0.00 H new ATOM 0 HG2 MET A 20 -5.808 9.242 9.476 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.196 9.167 10.160 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.316 12.840 10.988 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.737 11.181 10.706 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.028 12.267 9.327 1.00 0.00 H new ATOM 324 N LYS A 21 -3.054 10.960 5.856 1.00 0.00 N ATOM 325 CA LYS A 21 -2.237 11.548 4.812 1.00 0.00 C ATOM 326 C LYS A 21 -1.560 10.424 4.057 1.00 0.00 C ATOM 327 O LYS A 21 -0.776 9.704 4.623 1.00 0.00 O ATOM 328 CB LYS A 21 -1.228 12.499 5.447 1.00 0.00 C ATOM 329 CG LYS A 21 -0.313 13.194 4.476 1.00 0.00 C ATOM 330 CD LYS A 21 0.530 14.219 5.192 1.00 0.00 C ATOM 331 CE LYS A 21 1.537 14.862 4.266 1.00 0.00 C ATOM 332 NZ LYS A 21 0.908 15.584 3.148 1.00 0.00 N ATOM 0 H LYS A 21 -2.567 10.285 6.445 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.838 12.126 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.771 13.254 6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.621 11.939 6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.330 12.463 3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.900 13.677 3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.115 14.988 5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.051 13.744 6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.157 15.554 4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.200 14.094 3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.640 16.074 2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.407 14.908 2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.232 16.280 3.521 1.00 0.00 H new ATOM 346 N ARG A 22 -1.885 10.256 2.798 1.00 0.00 N ATOM 347 CA ARG A 22 -1.339 9.143 2.034 1.00 0.00 C ATOM 348 C ARG A 22 -0.325 9.652 0.997 1.00 0.00 C ATOM 349 O ARG A 22 -0.330 10.853 0.667 1.00 0.00 O ATOM 350 CB ARG A 22 -2.485 8.379 1.338 1.00 0.00 C ATOM 351 CG ARG A 22 -3.016 9.024 0.075 1.00 0.00 C ATOM 352 CD ARG A 22 -3.944 8.086 -0.671 1.00 0.00 C ATOM 353 NE ARG A 22 -3.252 6.858 -1.109 1.00 0.00 N ATOM 354 CZ ARG A 22 -3.841 5.700 -1.451 1.00 0.00 C ATOM 355 NH1 ARG A 22 -5.107 5.460 -1.160 1.00 0.00 N ATOM 356 NH2 ARG A 22 -3.115 4.758 -1.987 1.00 0.00 N ATOM 0 H ARG A 22 -2.517 10.865 2.278 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.822 8.465 2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.136 7.375 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.308 8.268 2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.548 9.941 0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.184 9.306 -0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.784 7.820 -0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.357 8.599 -1.539 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.234 6.892 -1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.658 6.161 -0.666 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.533 4.573 -1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.118 4.907 -2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.545 3.872 -2.253 1.00 0.00 H new ATOM 370 N ALA A 23 0.517 8.765 0.476 1.00 0.00 N ATOM 371 CA ALA A 23 1.523 9.165 -0.529 1.00 0.00 C ATOM 372 C ALA A 23 1.999 7.989 -1.416 1.00 0.00 C ATOM 373 O ALA A 23 3.001 7.333 -1.108 1.00 0.00 O ATOM 374 CB ALA A 23 2.711 9.822 0.146 1.00 0.00 C ATOM 0 H ALA A 23 0.532 7.775 0.722 1.00 0.00 H new ATOM 0 HA ALA A 23 1.032 9.879 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.444 10.111 -0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.378 10.708 0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.167 9.120 0.844 1.00 0.00 H new ATOM 380 N GLY A 24 1.293 7.736 -2.506 1.00 0.00 N ATOM 381 CA GLY A 24 1.607 6.620 -3.383 1.00 0.00 C ATOM 382 C GLY A 24 2.295 6.986 -4.651 1.00 0.00 C ATOM 383 O GLY A 24 1.681 7.019 -5.705 1.00 0.00 O ATOM 0 H GLY A 24 0.493 8.293 -2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.235 5.915 -2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.681 6.099 -3.628 1.00 0.00 H new ATOM 387 N PHE A 25 3.575 7.181 -4.569 1.00 0.00 N ATOM 388 CA PHE A 25 4.380 7.582 -5.724 1.00 0.00 C ATOM 389 C PHE A 25 4.652 6.402 -6.639 1.00 0.00 C ATOM 390 O PHE A 25 4.684 6.528 -7.846 1.00 0.00 O ATOM 391 CB PHE A 25 5.724 8.128 -5.269 1.00 0.00 C ATOM 392 CG PHE A 25 5.698 9.442 -4.545 1.00 0.00 C ATOM 393 CD1 PHE A 25 5.495 9.499 -3.177 1.00 0.00 C ATOM 394 CD2 PHE A 25 5.908 10.620 -5.233 1.00 0.00 C ATOM 395 CE1 PHE A 25 5.498 10.710 -2.514 1.00 0.00 C ATOM 396 CE2 PHE A 25 5.916 11.832 -4.577 1.00 0.00 C ATOM 397 CZ PHE A 25 5.712 11.877 -3.214 1.00 0.00 C ATOM 0 H PHE A 25 4.109 7.071 -3.707 1.00 0.00 H new ATOM 0 HA PHE A 25 3.814 8.345 -6.259 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.191 7.388 -4.619 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.365 8.233 -6.145 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.333 8.587 -2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.068 10.592 -6.301 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.333 10.742 -1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.082 12.745 -5.130 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.720 12.825 -2.696 1.00 0.00 H new ATOM 407 N ARG A 26 4.900 5.282 -6.066 1.00 0.00 N ATOM 408 CA ARG A 26 5.218 4.118 -6.861 1.00 0.00 C ATOM 409 C ARG A 26 4.088 3.135 -6.860 1.00 0.00 C ATOM 410 O ARG A 26 3.688 2.613 -7.893 1.00 0.00 O ATOM 411 CB ARG A 26 6.466 3.453 -6.326 1.00 0.00 C ATOM 412 CG ARG A 26 7.769 4.170 -6.593 1.00 0.00 C ATOM 413 CD ARG A 26 8.108 4.083 -8.051 1.00 0.00 C ATOM 414 NE ARG A 26 9.396 4.693 -8.372 1.00 0.00 N ATOM 415 CZ ARG A 26 9.848 4.889 -9.615 1.00 0.00 C ATOM 416 NH1 ARG A 26 9.078 4.570 -10.665 1.00 0.00 N ATOM 417 NH2 ARG A 26 11.063 5.387 -9.803 1.00 0.00 N ATOM 0 H ARG A 26 4.893 5.130 -5.057 1.00 0.00 H new ATOM 0 HA ARG A 26 5.387 4.447 -7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.355 3.333 -5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.531 2.452 -6.753 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.688 5.214 -6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.567 3.727 -5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.122 3.036 -8.354 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.325 4.572 -8.631 1.00 0.00 H new ATOM 0 HE ARG A 26 9.989 4.989 -7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.148 4.178 -10.515 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.422 4.719 -11.614 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.649 5.619 -9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.411 5.538 -10.750 1.00 0.00 H new ATOM 431 N GLU A 27 3.502 2.970 -5.711 1.00 0.00 N ATOM 432 CA GLU A 27 2.466 2.004 -5.537 1.00 0.00 C ATOM 433 C GLU A 27 1.113 2.501 -6.080 1.00 0.00 C ATOM 434 O GLU A 27 0.108 1.786 -5.994 1.00 0.00 O ATOM 435 CB GLU A 27 2.405 1.628 -4.086 1.00 0.00 C ATOM 436 CG GLU A 27 1.733 0.327 -3.787 1.00 0.00 C ATOM 437 CD GLU A 27 1.852 -0.033 -2.345 1.00 0.00 C ATOM 438 OE1 GLU A 27 2.966 -0.007 -1.834 1.00 0.00 O ATOM 439 OE2 GLU A 27 0.835 -0.431 -1.756 1.00 0.00 O ATOM 0 H GLU A 27 3.731 3.502 -4.871 1.00 0.00 H new ATOM 0 HA GLU A 27 2.696 1.114 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.422 1.590 -3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.885 2.419 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.680 0.389 -4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.175 -0.461 -4.397 1.00 0.00 H new ATOM 446 N CYS A 28 1.092 3.736 -6.625 1.00 0.00 N ATOM 447 CA CYS A 28 -0.101 4.278 -7.250 1.00 0.00 C ATOM 448 C CYS A 28 -0.631 3.290 -8.299 1.00 0.00 C ATOM 449 O CYS A 28 -1.810 2.935 -8.302 1.00 0.00 O ATOM 450 CB CYS A 28 0.237 5.589 -7.944 1.00 0.00 C ATOM 451 SG CYS A 28 -1.120 6.316 -8.882 1.00 0.00 S ATOM 0 H CYS A 28 1.895 4.365 -6.637 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.857 4.446 -6.483 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.568 6.307 -7.194 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.078 5.422 -8.617 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.957 6.884 -8.065 1.00 0.00 H new ATOM 457 N ALA A 29 0.279 2.790 -9.138 1.00 0.00 N ATOM 458 CA ALA A 29 -0.091 1.870 -10.196 1.00 0.00 C ATOM 459 C ALA A 29 -0.520 0.540 -9.623 1.00 0.00 C ATOM 460 O ALA A 29 -1.501 -0.058 -10.068 1.00 0.00 O ATOM 461 CB ALA A 29 1.044 1.713 -11.193 1.00 0.00 C ATOM 0 H ALA A 29 1.274 3.011 -9.099 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.944 2.285 -10.733 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.745 1.019 -11.978 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.277 2.682 -11.635 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.926 1.326 -10.682 1.00 0.00 H new ATOM 467 N ALA A 30 0.180 0.129 -8.591 1.00 0.00 N ATOM 468 CA ALA A 30 -0.062 -1.114 -7.910 1.00 0.00 C ATOM 469 C ALA A 30 -1.452 -1.210 -7.358 1.00 0.00 C ATOM 470 O ALA A 30 -2.097 -2.229 -7.503 1.00 0.00 O ATOM 471 CB ALA A 30 0.901 -1.260 -6.776 1.00 0.00 C ATOM 0 H ALA A 30 0.952 0.666 -8.195 1.00 0.00 H new ATOM 0 HA ALA A 30 0.068 -1.907 -8.647 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.716 -2.203 -6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.921 -1.251 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.769 -0.433 -6.078 1.00 0.00 H new ATOM 477 N MET A 31 -1.920 -0.147 -6.727 1.00 0.00 N ATOM 478 CA MET A 31 -3.240 -0.185 -6.105 1.00 0.00 C ATOM 479 C MET A 31 -4.336 -0.347 -7.136 1.00 0.00 C ATOM 480 O MET A 31 -5.329 -1.029 -6.888 1.00 0.00 O ATOM 481 CB MET A 31 -3.521 1.006 -5.177 1.00 0.00 C ATOM 482 CG MET A 31 -3.722 2.348 -5.862 1.00 0.00 C ATOM 483 SD MET A 31 -4.192 3.642 -4.696 1.00 0.00 S ATOM 484 CE MET A 31 -5.668 2.920 -3.961 1.00 0.00 C ATOM 0 H MET A 31 -1.421 0.737 -6.630 1.00 0.00 H new ATOM 0 HA MET A 31 -3.236 -1.068 -5.466 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.412 0.782 -4.590 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.692 1.099 -4.475 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.802 2.636 -6.371 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.493 2.252 -6.627 1.00 0.00 H new ATOM 0 HE1 MET A 31 -6.155 3.658 -3.324 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.354 2.612 -4.750 1.00 0.00 H new ATOM 0 HE3 MET A 31 -5.390 2.052 -3.363 1.00 0.00 H new ATOM 494 N ILE A 32 -4.119 0.223 -8.305 1.00 0.00 N ATOM 495 CA ILE A 32 -5.057 0.125 -9.405 1.00 0.00 C ATOM 496 C ILE A 32 -5.184 -1.340 -9.823 1.00 0.00 C ATOM 497 O ILE A 32 -6.275 -1.839 -10.083 1.00 0.00 O ATOM 498 CB ILE A 32 -4.565 0.977 -10.611 1.00 0.00 C ATOM 499 CG1 ILE A 32 -4.419 2.452 -10.195 1.00 0.00 C ATOM 500 CG2 ILE A 32 -5.522 0.847 -11.801 1.00 0.00 C ATOM 501 CD1 ILE A 32 -3.867 3.358 -11.279 1.00 0.00 C ATOM 0 H ILE A 32 -3.284 0.769 -8.519 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.028 0.504 -9.086 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.590 0.601 -10.921 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.394 2.828 -9.886 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.766 2.508 -9.324 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.156 1.452 -12.630 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.578 -0.197 -12.110 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.514 1.193 -11.510 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.797 4.378 -10.900 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.876 3.012 -11.573 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.530 3.336 -12.144 1.00 0.00 H new ATOM 513 N GLU A 33 -4.070 -2.031 -9.802 1.00 0.00 N ATOM 514 CA GLU A 33 -4.023 -3.409 -10.195 1.00 0.00 C ATOM 515 C GLU A 33 -4.574 -4.287 -9.065 1.00 0.00 C ATOM 516 O GLU A 33 -5.314 -5.227 -9.305 1.00 0.00 O ATOM 517 CB GLU A 33 -2.586 -3.795 -10.528 1.00 0.00 C ATOM 518 CG GLU A 33 -1.911 -2.844 -11.499 1.00 0.00 C ATOM 519 CD GLU A 33 -0.503 -3.250 -11.854 1.00 0.00 C ATOM 520 OE1 GLU A 33 0.406 -3.173 -10.998 1.00 0.00 O ATOM 521 OE2 GLU A 33 -0.268 -3.619 -13.033 1.00 0.00 O ATOM 0 H GLU A 33 -3.171 -1.648 -9.510 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.639 -3.560 -11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.006 -3.832 -9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.577 -4.800 -10.951 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.505 -2.785 -12.411 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.894 -1.844 -11.065 1.00 0.00 H new ATOM 528 N LYS A 34 -4.257 -3.914 -7.824 1.00 0.00 N ATOM 529 CA LYS A 34 -4.690 -4.648 -6.617 1.00 0.00 C ATOM 530 C LYS A 34 -6.191 -4.639 -6.465 1.00 0.00 C ATOM 531 O LYS A 34 -6.761 -5.479 -5.776 1.00 0.00 O ATOM 532 CB LYS A 34 -4.053 -4.044 -5.375 1.00 0.00 C ATOM 533 CG LYS A 34 -2.582 -4.356 -5.206 1.00 0.00 C ATOM 534 CD LYS A 34 -1.936 -3.340 -4.301 1.00 0.00 C ATOM 535 CE LYS A 34 -0.469 -3.593 -4.068 1.00 0.00 C ATOM 536 NZ LYS A 34 0.080 -2.574 -3.153 1.00 0.00 N ATOM 0 H LYS A 34 -3.690 -3.091 -7.619 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.365 -5.682 -6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.180 -2.962 -5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.590 -4.402 -4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.460 -5.355 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.088 -4.354 -6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.062 -2.347 -4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.454 -3.338 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.326 -4.588 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.068 -3.569 -5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.769 -1.985 -3.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.692 -1.974 -2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.550 -3.043 -2.353 1.00 0.00 H new ATOM 550 N LYS A 35 -6.816 -3.691 -7.130 1.00 0.00 N ATOM 551 CA LYS A 35 -8.248 -3.544 -7.128 1.00 0.00 C ATOM 552 C LYS A 35 -8.911 -4.725 -7.852 1.00 0.00 C ATOM 553 O LYS A 35 -10.092 -5.010 -7.646 1.00 0.00 O ATOM 554 CB LYS A 35 -8.616 -2.219 -7.798 1.00 0.00 C ATOM 555 CG LYS A 35 -10.097 -1.970 -7.931 1.00 0.00 C ATOM 556 CD LYS A 35 -10.372 -0.664 -8.621 1.00 0.00 C ATOM 557 CE LYS A 35 -11.853 -0.489 -8.848 1.00 0.00 C ATOM 558 NZ LYS A 35 -12.188 0.842 -9.399 1.00 0.00 N ATOM 0 H LYS A 35 -6.332 -2.992 -7.694 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.612 -3.538 -6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.174 -1.403 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.166 -2.192 -8.791 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.556 -2.784 -8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.557 -1.966 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.990 0.160 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.845 -0.632 -9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.206 -1.261 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.381 -0.632 -7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.216 0.912 -9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.876 1.581 -8.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.707 0.971 -10.312 1.00 0.00 H new ATOM 572 N ALA A 36 -8.142 -5.416 -8.689 1.00 0.00 N ATOM 573 CA ALA A 36 -8.654 -6.549 -9.416 1.00 0.00 C ATOM 574 C ALA A 36 -9.005 -7.654 -8.428 1.00 0.00 C ATOM 575 O ALA A 36 -10.170 -8.030 -8.286 1.00 0.00 O ATOM 576 CB ALA A 36 -7.637 -7.045 -10.437 1.00 0.00 C ATOM 0 H ALA A 36 -7.162 -5.202 -8.873 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.549 -6.251 -9.962 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.047 -7.901 -10.973 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.413 -6.247 -11.145 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.722 -7.342 -9.924 1.00 0.00 H new ATOM 582 N ARG A 37 -7.984 -8.124 -7.726 1.00 0.00 N ATOM 583 CA ARG A 37 -8.092 -9.147 -6.689 1.00 0.00 C ATOM 584 C ARG A 37 -6.894 -9.088 -5.790 1.00 0.00 C ATOM 585 O ARG A 37 -7.000 -8.742 -4.629 1.00 0.00 O ATOM 586 CB ARG A 37 -8.246 -10.577 -7.242 1.00 0.00 C ATOM 587 CG ARG A 37 -9.651 -10.990 -7.687 1.00 0.00 C ATOM 588 CD ARG A 37 -10.645 -10.983 -6.522 1.00 0.00 C ATOM 589 NE ARG A 37 -10.979 -9.625 -6.059 1.00 0.00 N ATOM 590 CZ ARG A 37 -11.161 -9.252 -4.781 1.00 0.00 C ATOM 591 NH1 ARG A 37 -10.926 -10.105 -3.789 1.00 0.00 N ATOM 592 NH2 ARG A 37 -11.553 -8.015 -4.508 1.00 0.00 N ATOM 0 H ARG A 37 -7.028 -7.796 -7.864 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.004 -8.925 -6.136 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.573 -10.688 -8.092 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.911 -11.277 -6.476 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.999 -10.311 -8.465 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.614 -11.987 -8.127 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.559 -11.492 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.227 -11.552 -5.691 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.081 -8.903 -6.772 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.605 -11.051 -3.995 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.067 -9.814 -2.822 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.715 -7.352 -5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.693 -7.726 -3.540 1.00 0.00 H new ATOM 606 N ARG A 38 -5.753 -9.424 -6.336 1.00 0.00 N ATOM 607 CA ARG A 38 -4.513 -9.389 -5.605 1.00 0.00 C ATOM 608 C ARG A 38 -3.375 -9.221 -6.577 1.00 0.00 C ATOM 609 O ARG A 38 -3.229 -10.015 -7.527 1.00 0.00 O ATOM 610 CB ARG A 38 -4.320 -10.649 -4.737 1.00 0.00 C ATOM 611 CG ARG A 38 -4.194 -11.973 -5.458 1.00 0.00 C ATOM 612 CD ARG A 38 -3.895 -13.054 -4.452 1.00 0.00 C ATOM 613 NE ARG A 38 -3.688 -14.353 -5.063 1.00 0.00 N ATOM 614 CZ ARG A 38 -2.758 -15.234 -4.678 1.00 0.00 C ATOM 615 NH1 ARG A 38 -1.787 -14.869 -3.832 1.00 0.00 N ATOM 616 NH2 ARG A 38 -2.756 -16.448 -5.184 1.00 0.00 N ATOM 0 H ARG A 38 -5.658 -9.731 -7.304 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.536 -8.542 -4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.425 -10.508 -4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.163 -10.718 -4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.117 -12.200 -5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.400 -11.922 -6.203 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.006 -12.779 -3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.719 -13.120 -3.741 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.294 -14.613 -5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.753 -13.914 -3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.081 -15.546 -3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.463 -16.716 -5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.048 -17.121 -4.892 1.00 0.00 H new ATOM 630 N VAL A 39 -2.601 -8.183 -6.405 1.00 0.00 N ATOM 631 CA VAL A 39 -1.512 -7.914 -7.315 1.00 0.00 C ATOM 632 C VAL A 39 -0.282 -7.462 -6.565 1.00 0.00 C ATOM 633 O VAL A 39 -0.379 -6.805 -5.509 1.00 0.00 O ATOM 634 CB VAL A 39 -1.908 -6.849 -8.405 1.00 0.00 C ATOM 635 CG1 VAL A 39 -0.719 -6.471 -9.292 1.00 0.00 C ATOM 636 CG2 VAL A 39 -3.029 -7.374 -9.290 1.00 0.00 C ATOM 0 H VAL A 39 -2.701 -7.509 -5.646 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.286 -8.848 -7.829 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.242 -5.961 -7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.036 -5.734 -10.030 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.075 -6.049 -8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.349 -7.360 -9.803 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.286 -6.622 -10.036 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.701 -8.285 -9.791 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.904 -7.592 -8.678 1.00 0.00 H new ATOM 646 N VAL A 40 0.850 -7.860 -7.080 1.00 0.00 N ATOM 647 CA VAL A 40 2.124 -7.492 -6.566 1.00 0.00 C ATOM 648 C VAL A 40 2.770 -6.518 -7.559 1.00 0.00 C ATOM 649 O VAL A 40 2.614 -6.668 -8.776 1.00 0.00 O ATOM 650 CB VAL A 40 3.037 -8.741 -6.341 1.00 0.00 C ATOM 651 CG1 VAL A 40 3.189 -9.567 -7.616 1.00 0.00 C ATOM 652 CG2 VAL A 40 4.401 -8.335 -5.798 1.00 0.00 C ATOM 0 H VAL A 40 0.903 -8.470 -7.896 1.00 0.00 H new ATOM 0 HA VAL A 40 2.001 -7.017 -5.593 1.00 0.00 H new ATOM 0 HB VAL A 40 2.546 -9.368 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.830 -10.426 -7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.209 -9.914 -7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.636 -8.952 -8.397 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.014 -9.224 -5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.892 -7.669 -6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.275 -7.820 -4.845 1.00 0.00 H new ATOM 662 N HIS A 41 3.463 -5.537 -7.063 1.00 0.00 N ATOM 663 CA HIS A 41 4.069 -4.544 -7.908 1.00 0.00 C ATOM 664 C HIS A 41 5.483 -4.330 -7.403 1.00 0.00 C ATOM 665 O HIS A 41 5.694 -4.206 -6.178 1.00 0.00 O ATOM 666 CB HIS A 41 3.217 -3.266 -7.811 1.00 0.00 C ATOM 667 CG HIS A 41 3.478 -2.156 -8.813 1.00 0.00 C ATOM 668 ND1 HIS A 41 2.744 -1.969 -9.984 1.00 0.00 N ATOM 669 CD2 HIS A 41 4.366 -1.135 -8.776 1.00 0.00 C ATOM 670 CE1 HIS A 41 3.224 -0.892 -10.595 1.00 0.00 C ATOM 671 NE2 HIS A 41 4.206 -0.345 -9.906 1.00 0.00 N ATOM 0 H HIS A 41 3.626 -5.400 -6.065 1.00 0.00 H new ATOM 0 HA HIS A 41 4.115 -4.843 -8.955 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.170 -3.556 -7.899 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.350 -2.851 -6.812 1.00 0.00 H new ATOM 0 HD1 HIS A 41 1.976 -2.555 -10.312 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.086 -0.962 -7.990 1.00 0.00 H new ATOM 0 HE1 HIS A 41 2.857 -0.512 -11.537 1.00 0.00 H new ATOM 679 N ILE A 42 6.437 -4.367 -8.305 1.00 0.00 N ATOM 680 CA ILE A 42 7.829 -4.203 -7.947 1.00 0.00 C ATOM 681 C ILE A 42 8.141 -2.707 -7.835 1.00 0.00 C ATOM 682 O ILE A 42 7.571 -1.900 -8.575 1.00 0.00 O ATOM 683 CB ILE A 42 8.786 -4.917 -8.976 1.00 0.00 C ATOM 684 CG1 ILE A 42 10.242 -4.926 -8.462 1.00 0.00 C ATOM 685 CG2 ILE A 42 8.704 -4.267 -10.365 1.00 0.00 C ATOM 686 CD1 ILE A 42 11.229 -5.638 -9.375 1.00 0.00 C ATOM 0 H ILE A 42 6.273 -4.511 -9.301 1.00 0.00 H new ATOM 0 HA ILE A 42 8.005 -4.681 -6.983 1.00 0.00 H new ATOM 0 HB ILE A 42 8.451 -5.950 -9.072 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.572 -3.896 -8.324 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.265 -5.402 -7.482 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.377 -4.784 -11.049 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.683 -4.336 -10.739 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.995 -3.219 -10.294 1.00 0.00 H new ATOM 0 HD11 ILE A 42 12.226 -5.596 -8.936 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.929 -6.679 -9.494 1.00 0.00 H new ATOM 0 HD13 ILE A 42 11.240 -5.150 -10.350 1.00 0.00 H new ATOM 698 N LYS A 43 9.006 -2.346 -6.887 1.00 0.00 N ATOM 699 CA LYS A 43 9.371 -0.948 -6.623 1.00 0.00 C ATOM 700 C LYS A 43 8.153 -0.151 -6.143 1.00 0.00 C ATOM 701 O LYS A 43 7.683 0.733 -6.842 1.00 0.00 O ATOM 702 CB LYS A 43 10.016 -0.245 -7.854 1.00 0.00 C ATOM 703 CG LYS A 43 11.261 -0.920 -8.381 1.00 0.00 C ATOM 704 CD LYS A 43 11.875 -0.174 -9.550 1.00 0.00 C ATOM 705 CE LYS A 43 13.104 -0.909 -10.062 1.00 0.00 C ATOM 706 NZ LYS A 43 13.797 -0.180 -11.136 1.00 0.00 N ATOM 0 H LYS A 43 9.476 -3.015 -6.277 1.00 0.00 H new ATOM 0 HA LYS A 43 10.125 -0.971 -5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.279 -0.195 -8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.262 0.782 -7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.995 -0.999 -7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.016 -1.936 -8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.143 -0.075 -10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.149 0.835 -9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.795 -1.072 -9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.808 -1.892 -10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.626 -0.726 -11.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.149 -0.046 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.106 0.748 -10.782 1.00 0.00 H new ATOM 720 N PRO A 44 7.567 -0.506 -4.977 1.00 0.00 N ATOM 721 CA PRO A 44 6.439 0.224 -4.431 1.00 0.00 C ATOM 722 C PRO A 44 6.884 1.498 -3.706 1.00 0.00 C ATOM 723 O PRO A 44 8.083 1.736 -3.506 1.00 0.00 O ATOM 724 CB PRO A 44 5.843 -0.763 -3.440 1.00 0.00 C ATOM 725 CG PRO A 44 7.038 -1.472 -2.925 1.00 0.00 C ATOM 726 CD PRO A 44 7.905 -1.666 -4.125 1.00 0.00 C ATOM 0 HA PRO A 44 5.743 0.554 -5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.298 -0.257 -2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.143 -1.446 -3.921 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.547 -0.887 -2.159 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.769 -2.426 -2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.962 -1.677 -3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.692 -2.610 -4.627 1.00 0.00 H new ATOM 734 N GLY A 45 5.930 2.321 -3.343 1.00 0.00 N ATOM 735 CA GLY A 45 6.234 3.517 -2.662 1.00 0.00 C ATOM 736 C GLY A 45 4.997 4.236 -2.245 1.00 0.00 C ATOM 737 O GLY A 45 4.773 5.374 -2.671 1.00 0.00 O ATOM 0 H GLY A 45 4.937 2.167 -3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.840 3.293 -1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.832 4.162 -3.306 1.00 0.00 H new ATOM 741 N GLU A 46 4.131 3.541 -1.536 1.00 0.00 N ATOM 742 CA GLU A 46 2.935 4.154 -0.994 1.00 0.00 C ATOM 743 C GLU A 46 3.064 4.233 0.485 1.00 0.00 C ATOM 744 O GLU A 46 3.228 3.235 1.190 1.00 0.00 O ATOM 745 CB GLU A 46 1.634 3.482 -1.450 1.00 0.00 C ATOM 746 CG GLU A 46 0.372 3.840 -0.680 1.00 0.00 C ATOM 747 CD GLU A 46 -0.039 5.287 -0.804 1.00 0.00 C ATOM 748 OE1 GLU A 46 -0.702 5.637 -1.805 1.00 0.00 O ATOM 749 OE2 GLU A 46 0.268 6.085 0.092 1.00 0.00 O ATOM 0 H GLU A 46 4.233 2.549 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 46 2.855 5.163 -1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.473 3.729 -2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.771 2.402 -1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.445 3.210 -1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.524 3.606 0.374 1.00 0.00 H new ATOM 756 N LYS A 47 3.043 5.419 0.935 1.00 0.00 N ATOM 757 CA LYS A 47 3.202 5.727 2.284 1.00 0.00 C ATOM 758 C LYS A 47 1.931 6.201 2.791 1.00 0.00 C ATOM 759 O LYS A 47 1.679 7.393 2.979 1.00 0.00 O ATOM 760 CB LYS A 47 4.268 6.719 2.429 1.00 0.00 C ATOM 761 CG LYS A 47 5.556 6.172 1.930 1.00 0.00 C ATOM 762 CD LYS A 47 6.476 7.248 1.575 1.00 0.00 C ATOM 763 CE LYS A 47 6.076 7.950 0.291 1.00 0.00 C ATOM 764 NZ LYS A 47 7.029 9.012 -0.042 1.00 0.00 N ATOM 0 H LYS A 47 2.908 6.238 0.342 1.00 0.00 H new ATOM 0 HA LYS A 47 3.496 4.852 2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.011 7.622 1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.368 7.004 3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.007 5.539 2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.375 5.541 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.512 7.974 2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.481 6.842 1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.030 7.228 -0.524 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.077 8.373 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.674 9.555 -0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.142 9.646 0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.949 8.590 -0.282 1.00 0.00 H new ATOM 778 N ILE A 48 1.100 5.272 2.885 1.00 0.00 N ATOM 779 CA ILE A 48 -0.199 5.481 3.372 1.00 0.00 C ATOM 780 C ILE A 48 -0.155 5.749 4.836 1.00 0.00 C ATOM 781 O ILE A 48 0.123 4.865 5.633 1.00 0.00 O ATOM 782 CB ILE A 48 -1.204 4.327 3.087 1.00 0.00 C ATOM 783 CG1 ILE A 48 -0.585 2.924 3.279 1.00 0.00 C ATOM 784 CG2 ILE A 48 -1.954 4.495 1.780 1.00 0.00 C ATOM 785 CD1 ILE A 48 -1.557 1.775 3.088 1.00 0.00 C ATOM 0 H ILE A 48 1.297 4.307 2.620 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.575 6.344 2.822 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.971 4.404 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.240 2.806 2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.161 2.862 4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.638 3.657 1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.521 5.426 1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.244 4.523 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.037 0.829 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.370 1.863 3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.963 1.806 2.077 1.00 0.00 H new ATOM 797 N LEU A 49 -0.288 7.007 5.161 1.00 0.00 N ATOM 798 CA LEU A 49 -0.376 7.562 6.521 1.00 0.00 C ATOM 799 C LEU A 49 0.935 7.476 7.304 1.00 0.00 C ATOM 800 O LEU A 49 1.191 8.286 8.189 1.00 0.00 O ATOM 801 CB LEU A 49 -1.529 6.920 7.369 1.00 0.00 C ATOM 802 CG LEU A 49 -2.907 6.643 6.697 1.00 0.00 C ATOM 803 CD1 LEU A 49 -3.288 7.631 5.605 1.00 0.00 C ATOM 804 CD2 LEU A 49 -3.027 5.191 6.254 1.00 0.00 C ATOM 0 H LEU A 49 -0.343 7.735 4.448 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.604 8.616 6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.159 5.972 7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.707 7.571 8.225 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.653 6.813 7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.261 7.361 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.337 8.636 6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.539 7.605 4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.000 5.032 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.240 4.964 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.927 4.537 7.120 1.00 0.00 H new ATOM 816 N GLY A 50 1.747 6.527 6.954 1.00 0.00 N ATOM 817 CA GLY A 50 2.966 6.254 7.651 1.00 0.00 C ATOM 818 C GLY A 50 2.722 5.033 8.505 1.00 0.00 C ATOM 819 O GLY A 50 3.613 4.506 9.161 1.00 0.00 O ATOM 0 H GLY A 50 1.578 5.909 6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.781 6.077 6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.256 7.104 8.268 1.00 0.00 H new ATOM 823 N ALA A 51 1.483 4.588 8.453 1.00 0.00 N ATOM 824 CA ALA A 51 0.972 3.445 9.149 1.00 0.00 C ATOM 825 C ALA A 51 0.072 2.730 8.176 1.00 0.00 C ATOM 826 O ALA A 51 -0.927 3.289 7.737 1.00 0.00 O ATOM 827 CB ALA A 51 0.177 3.888 10.366 1.00 0.00 C ATOM 0 H ALA A 51 0.770 5.049 7.887 1.00 0.00 H new ATOM 0 HA ALA A 51 1.777 2.798 9.498 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.207 3.012 10.888 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.823 4.455 11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.656 4.515 10.048 1.00 0.00 H new ATOM 833 N ARG A 52 0.435 1.531 7.822 1.00 0.00 N ATOM 834 CA ARG A 52 -0.296 0.755 6.836 1.00 0.00 C ATOM 835 C ARG A 52 -1.670 0.298 7.356 1.00 0.00 C ATOM 836 O ARG A 52 -1.796 -0.764 7.966 1.00 0.00 O ATOM 837 CB ARG A 52 0.569 -0.435 6.387 1.00 0.00 C ATOM 838 CG ARG A 52 -0.036 -1.345 5.324 1.00 0.00 C ATOM 839 CD ARG A 52 0.915 -2.498 5.011 1.00 0.00 C ATOM 840 NE ARG A 52 1.236 -3.265 6.224 1.00 0.00 N ATOM 841 CZ ARG A 52 2.229 -4.168 6.365 1.00 0.00 C ATOM 842 NH1 ARG A 52 3.011 -4.494 5.331 1.00 0.00 N ATOM 843 NH2 ARG A 52 2.410 -4.746 7.546 1.00 0.00 N ATOM 0 H ARG A 52 1.250 1.053 8.206 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.501 1.392 5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.515 -0.047 6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.801 -1.040 7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.992 -1.737 5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.237 -0.774 4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.461 -3.157 4.270 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.832 -2.107 4.571 1.00 0.00 H new ATOM 0 HE ARG A 52 0.649 -3.098 7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.861 -4.059 4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.758 -5.178 5.452 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.803 -4.506 8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.156 -5.431 7.670 1.00 0.00 H new ATOM 857 N ILE A 53 -2.677 1.143 7.164 1.00 0.00 N ATOM 858 CA ILE A 53 -4.022 0.845 7.554 1.00 0.00 C ATOM 859 C ILE A 53 -4.882 0.978 6.316 1.00 0.00 C ATOM 860 O ILE A 53 -4.812 1.995 5.646 1.00 0.00 O ATOM 861 CB ILE A 53 -4.537 1.855 8.633 1.00 0.00 C ATOM 862 CG1 ILE A 53 -3.590 1.919 9.853 1.00 0.00 C ATOM 863 CG2 ILE A 53 -5.954 1.499 9.081 1.00 0.00 C ATOM 864 CD1 ILE A 53 -3.414 0.604 10.590 1.00 0.00 C ATOM 0 H ILE A 53 -2.566 2.059 6.728 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.067 -0.157 7.981 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.554 2.841 8.170 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.612 2.266 9.519 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.971 2.663 10.552 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.289 2.215 9.831 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.626 1.531 8.223 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.959 0.497 9.509 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.734 0.746 11.430 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.381 0.262 10.960 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.001 -0.142 9.910 1.00 0.00 H new ATOM 876 N ILE A 54 -5.659 -0.041 6.005 1.00 0.00 N ATOM 877 CA ILE A 54 -6.534 -0.020 4.821 1.00 0.00 C ATOM 878 C ILE A 54 -7.761 0.851 5.106 1.00 0.00 C ATOM 879 O ILE A 54 -8.369 1.410 4.216 1.00 0.00 O ATOM 880 CB ILE A 54 -6.989 -1.470 4.437 1.00 0.00 C ATOM 881 CG1 ILE A 54 -5.760 -2.380 4.244 1.00 0.00 C ATOM 882 CG2 ILE A 54 -7.850 -1.464 3.165 1.00 0.00 C ATOM 883 CD1 ILE A 54 -6.094 -3.828 3.929 1.00 0.00 C ATOM 0 H ILE A 54 -5.711 -0.902 6.550 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.975 0.397 3.983 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.597 -1.860 5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.148 -1.977 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.154 -2.348 5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.150 -2.484 2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.738 -0.854 3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.274 -1.050 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.172 -4.396 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.678 -4.253 4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.672 -3.876 3.006 1.00 0.00 H new ATOM 895 N GLY A 55 -8.137 0.911 6.361 1.00 0.00 N ATOM 896 CA GLY A 55 -9.257 1.739 6.766 1.00 0.00 C ATOM 897 C GLY A 55 -10.538 0.958 6.759 1.00 0.00 C ATOM 898 O GLY A 55 -11.500 1.283 7.468 1.00 0.00 O ATOM 0 H GLY A 55 -7.688 0.399 7.121 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.076 2.137 7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.344 2.592 6.093 1.00 0.00 H new ATOM 902 N ILE A 56 -10.548 -0.055 5.956 1.00 0.00 N ATOM 903 CA ILE A 56 -11.647 -0.946 5.845 1.00 0.00 C ATOM 904 C ILE A 56 -11.281 -2.160 6.671 1.00 0.00 C ATOM 905 O ILE A 56 -10.230 -2.736 6.423 1.00 0.00 O ATOM 906 CB ILE A 56 -11.846 -1.405 4.376 1.00 0.00 C ATOM 907 CG1 ILE A 56 -11.974 -0.203 3.434 1.00 0.00 C ATOM 908 CG2 ILE A 56 -13.074 -2.291 4.266 1.00 0.00 C ATOM 909 CD1 ILE A 56 -12.126 -0.579 1.970 1.00 0.00 C ATOM 0 H ILE A 56 -9.767 -0.289 5.343 1.00 0.00 H new ATOM 0 HA ILE A 56 -12.564 -0.460 6.178 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.967 -1.976 4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.835 0.393 3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.093 0.429 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.203 -2.607 3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.947 -3.169 4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.954 -1.735 4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -12.211 0.326 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -11.254 -1.148 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -13.023 -1.185 1.841 1.00 0.00 H new ATOM 921 N PRO A 57 -12.088 -2.526 7.689 1.00 0.00 N ATOM 922 CA PRO A 57 -11.829 -3.706 8.524 1.00 0.00 C ATOM 923 C PRO A 57 -11.922 -4.988 7.700 1.00 0.00 C ATOM 924 O PRO A 57 -13.010 -5.375 7.257 1.00 0.00 O ATOM 925 CB PRO A 57 -12.953 -3.672 9.575 1.00 0.00 C ATOM 926 CG PRO A 57 -13.484 -2.286 9.523 1.00 0.00 C ATOM 927 CD PRO A 57 -13.302 -1.831 8.109 1.00 0.00 C ATOM 0 HA PRO A 57 -10.831 -3.691 8.963 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.730 -4.401 9.346 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.573 -3.912 10.568 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -14.535 -2.259 9.810 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.948 -1.636 10.215 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.156 -2.099 7.487 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.189 -0.749 8.046 1.00 0.00 H new ATOM 935 N PRO A 58 -10.791 -5.626 7.421 1.00 0.00 N ATOM 936 CA PRO A 58 -10.750 -6.812 6.622 1.00 0.00 C ATOM 937 C PRO A 58 -10.529 -8.050 7.466 1.00 0.00 C ATOM 938 O PRO A 58 -10.451 -7.972 8.699 1.00 0.00 O ATOM 939 CB PRO A 58 -9.490 -6.542 5.800 1.00 0.00 C ATOM 940 CG PRO A 58 -8.559 -5.829 6.748 1.00 0.00 C ATOM 941 CD PRO A 58 -9.426 -5.229 7.837 1.00 0.00 C ATOM 0 HA PRO A 58 -11.666 -6.995 6.060 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.049 -7.470 5.435 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.711 -5.929 4.926 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.831 -6.522 7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.997 -5.053 6.229 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.172 -5.623 8.821 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.318 -4.146 7.890 1.00 0.00 H new ATOM 949 N VAL A 59 -10.478 -9.185 6.827 1.00 0.00 N ATOM 950 CA VAL A 59 -10.161 -10.405 7.519 1.00 0.00 C ATOM 951 C VAL A 59 -8.642 -10.441 7.542 1.00 0.00 C ATOM 952 O VAL A 59 -8.020 -10.623 6.491 1.00 0.00 O ATOM 953 CB VAL A 59 -10.704 -11.659 6.792 1.00 0.00 C ATOM 954 CG1 VAL A 59 -10.392 -12.918 7.594 1.00 0.00 C ATOM 955 CG2 VAL A 59 -12.201 -11.538 6.551 1.00 0.00 C ATOM 0 H VAL A 59 -10.652 -9.292 5.828 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.615 -10.420 8.510 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.208 -11.733 5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.781 -13.790 7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.313 -13.017 7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.859 -12.849 8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.560 -12.431 6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.716 -11.435 7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.401 -10.661 5.935 1.00 0.00 H new ATOM 965 N PRO A 60 -8.020 -10.195 8.699 1.00 0.00 N ATOM 966 CA PRO A 60 -6.599 -10.010 8.780 1.00 0.00 C ATOM 967 C PRO A 60 -5.795 -11.305 8.882 1.00 0.00 C ATOM 968 O PRO A 60 -5.705 -11.931 9.944 1.00 0.00 O ATOM 969 CB PRO A 60 -6.434 -9.134 10.016 1.00 0.00 C ATOM 970 CG PRO A 60 -7.567 -9.523 10.916 1.00 0.00 C ATOM 971 CD PRO A 60 -8.655 -10.093 10.032 1.00 0.00 C ATOM 0 HA PRO A 60 -6.204 -9.564 7.867 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.471 -9.305 10.496 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.478 -8.076 9.759 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -7.241 -10.259 11.651 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.933 -8.659 11.471 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.990 -11.067 10.390 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.530 -9.444 10.008 1.00 0.00 H new ATOM 979 N ILE A 61 -5.279 -11.727 7.768 1.00 0.00 N ATOM 980 CA ILE A 61 -4.439 -12.895 7.673 1.00 0.00 C ATOM 981 C ILE A 61 -3.241 -12.431 6.863 1.00 0.00 C ATOM 982 O ILE A 61 -3.341 -11.408 6.194 1.00 0.00 O ATOM 983 CB ILE A 61 -5.176 -14.041 6.898 1.00 0.00 C ATOM 984 CG1 ILE A 61 -6.553 -14.313 7.515 1.00 0.00 C ATOM 985 CG2 ILE A 61 -4.347 -15.330 6.890 1.00 0.00 C ATOM 986 CD1 ILE A 61 -7.401 -15.283 6.728 1.00 0.00 C ATOM 0 H ILE A 61 -5.431 -11.261 6.874 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.170 -13.287 8.654 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.307 -13.709 5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.417 -14.702 8.524 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.091 -13.369 7.607 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.885 -16.105 6.345 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.389 -15.144 6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.176 -15.659 7.915 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.358 -15.421 7.231 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.571 -14.888 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.887 -16.241 6.657 1.00 0.00 H new ATOM 998 N GLY A 62 -2.124 -13.088 6.949 1.00 0.00 N ATOM 999 CA GLY A 62 -1.025 -12.676 6.136 1.00 0.00 C ATOM 1000 C GLY A 62 0.249 -12.505 6.890 1.00 0.00 C ATOM 1001 O GLY A 62 0.246 -12.454 8.119 1.00 0.00 O ATOM 0 H GLY A 62 -1.953 -13.889 7.556 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.873 -13.412 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.278 -11.734 5.650 1.00 0.00 H new ATOM 1005 N ILE A 63 1.337 -12.385 6.155 1.00 0.00 N ATOM 1006 CA ILE A 63 2.665 -12.267 6.728 1.00 0.00 C ATOM 1007 C ILE A 63 3.501 -11.291 5.897 1.00 0.00 C ATOM 1008 O ILE A 63 3.621 -11.446 4.672 1.00 0.00 O ATOM 1009 CB ILE A 63 3.469 -13.652 6.766 1.00 0.00 C ATOM 1010 CG1 ILE A 63 2.767 -14.773 7.576 1.00 0.00 C ATOM 1011 CG2 ILE A 63 4.893 -13.463 7.289 1.00 0.00 C ATOM 1012 CD1 ILE A 63 1.646 -15.493 6.846 1.00 0.00 C ATOM 0 H ILE A 63 1.325 -12.366 5.135 1.00 0.00 H new ATOM 0 HA ILE A 63 2.516 -11.922 7.751 1.00 0.00 H new ATOM 0 HB ILE A 63 3.497 -13.980 5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.516 -15.507 7.874 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.364 -14.340 8.491 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.407 -14.424 7.300 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.430 -12.772 6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.858 -13.058 8.300 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.220 -16.257 7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.871 -14.777 6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.041 -15.962 5.945 1.00 0.00 H new ATOM 1024 N ASP A 64 4.035 -10.274 6.532 1.00 0.00 N ATOM 1025 CA ASP A 64 4.932 -9.352 5.849 1.00 0.00 C ATOM 1026 C ASP A 64 6.283 -10.040 5.938 1.00 0.00 C ATOM 1027 O ASP A 64 6.892 -10.074 7.014 1.00 0.00 O ATOM 1028 CB ASP A 64 4.956 -7.984 6.564 1.00 0.00 C ATOM 1029 CG ASP A 64 5.771 -6.912 5.851 1.00 0.00 C ATOM 1030 OD1 ASP A 64 6.989 -6.846 6.036 1.00 0.00 O ATOM 1031 OD2 ASP A 64 5.178 -6.070 5.131 1.00 0.00 O ATOM 0 H ASP A 64 3.869 -10.059 7.515 1.00 0.00 H new ATOM 0 HA ASP A 64 4.632 -9.145 4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.932 -7.629 6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.358 -8.120 7.568 1.00 0.00 H new ATOM 1036 N GLU A 65 6.707 -10.669 4.846 1.00 0.00 N ATOM 1037 CA GLU A 65 7.932 -11.454 4.850 1.00 0.00 C ATOM 1038 C GLU A 65 9.163 -10.621 5.065 1.00 0.00 C ATOM 1039 O GLU A 65 9.946 -10.869 5.999 1.00 0.00 O ATOM 1040 CB GLU A 65 8.053 -12.298 3.584 1.00 0.00 C ATOM 1041 CG GLU A 65 6.953 -13.336 3.440 1.00 0.00 C ATOM 1042 CD GLU A 65 7.177 -14.259 2.272 1.00 0.00 C ATOM 1043 OE1 GLU A 65 8.215 -14.950 2.247 1.00 0.00 O ATOM 1044 OE2 GLU A 65 6.300 -14.381 1.398 1.00 0.00 O ATOM 0 H GLU A 65 6.220 -10.649 3.950 1.00 0.00 H new ATOM 0 HA GLU A 65 7.861 -12.126 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.037 -11.640 2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.019 -12.802 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.891 -13.924 4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.995 -12.830 3.320 1.00 0.00 H new ATOM 1051 N GLU A 66 9.328 -9.653 4.236 1.00 0.00 N ATOM 1052 CA GLU A 66 10.453 -8.778 4.274 1.00 0.00 C ATOM 1053 C GLU A 66 10.097 -7.666 3.313 1.00 0.00 C ATOM 1054 O GLU A 66 9.083 -7.786 2.609 1.00 0.00 O ATOM 1055 CB GLU A 66 11.729 -9.575 3.883 1.00 0.00 C ATOM 1056 CG GLU A 66 13.057 -8.959 4.288 1.00 0.00 C ATOM 1057 CD GLU A 66 13.754 -8.283 3.161 1.00 0.00 C ATOM 1058 OE1 GLU A 66 13.499 -7.119 2.924 1.00 0.00 O ATOM 1059 OE2 GLU A 66 14.585 -8.933 2.492 1.00 0.00 O ATOM 0 H GLU A 66 8.667 -9.439 3.489 1.00 0.00 H new ATOM 0 HA GLU A 66 10.672 -8.358 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.662 -10.568 4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.730 -9.710 2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.887 -8.238 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.704 -9.738 4.693 1.00 0.00 H new ATOM 1066 N ARG A 67 10.859 -6.621 3.256 1.00 0.00 N ATOM 1067 CA ARG A 67 10.505 -5.522 2.406 1.00 0.00 C ATOM 1068 C ARG A 67 10.996 -5.718 0.986 1.00 0.00 C ATOM 1069 O ARG A 67 10.313 -5.376 0.015 1.00 0.00 O ATOM 1070 CB ARG A 67 10.961 -4.194 2.985 1.00 0.00 C ATOM 1071 CG ARG A 67 10.519 -2.995 2.165 1.00 0.00 C ATOM 1072 CD ARG A 67 9.028 -3.078 1.845 1.00 0.00 C ATOM 1073 NE ARG A 67 8.163 -3.013 3.046 1.00 0.00 N ATOM 1074 CZ ARG A 67 7.355 -4.005 3.532 1.00 0.00 C ATOM 1075 NH1 ARG A 67 7.278 -5.198 2.941 1.00 0.00 N ATOM 1076 NH2 ARG A 67 6.622 -3.786 4.609 1.00 0.00 N ATOM 0 H ARG A 67 11.725 -6.502 3.782 1.00 0.00 H new ATOM 0 HA ARG A 67 9.416 -5.495 2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.572 -4.095 3.998 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.048 -4.193 3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.727 -2.077 2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.093 -2.950 1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.763 -2.263 1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.829 -4.009 1.314 1.00 0.00 H new ATOM 0 HE ARG A 67 8.170 -2.136 3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.830 -5.389 2.105 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.667 -5.919 3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.659 -2.880 5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.019 -4.523 4.974 1.00 0.00 H new ATOM 1090 N SER A 68 12.127 -6.300 0.865 1.00 0.00 N ATOM 1091 CA SER A 68 12.711 -6.589 -0.409 1.00 0.00 C ATOM 1092 C SER A 68 12.263 -7.996 -0.846 1.00 0.00 C ATOM 1093 O SER A 68 12.914 -8.695 -1.621 1.00 0.00 O ATOM 1094 CB SER A 68 14.240 -6.446 -0.325 1.00 0.00 C ATOM 1095 OG SER A 68 14.846 -6.435 -1.619 1.00 0.00 O ATOM 0 H SER A 68 12.694 -6.600 1.658 1.00 0.00 H new ATOM 0 HA SER A 68 12.373 -5.881 -1.166 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.490 -5.525 0.201 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.650 -7.269 0.261 1.00 0.00 H new ATOM 0 HG SER A 68 14.218 -6.060 -2.271 1.00 0.00 H new ATOM 1101 N THR A 69 11.117 -8.349 -0.373 1.00 0.00 N ATOM 1102 CA THR A 69 10.466 -9.591 -0.622 1.00 0.00 C ATOM 1103 C THR A 69 8.977 -9.260 -0.719 1.00 0.00 C ATOM 1104 O THR A 69 8.572 -8.158 -0.327 1.00 0.00 O ATOM 1105 CB THR A 69 10.724 -10.570 0.562 1.00 0.00 C ATOM 1106 OG1 THR A 69 12.132 -10.625 0.826 1.00 0.00 O ATOM 1107 CG2 THR A 69 10.241 -11.987 0.258 1.00 0.00 C ATOM 0 H THR A 69 10.574 -7.738 0.238 1.00 0.00 H new ATOM 0 HA THR A 69 10.832 -10.070 -1.530 1.00 0.00 H new ATOM 0 HB THR A 69 10.169 -10.195 1.422 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.318 -11.351 1.457 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.443 -12.632 1.113 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.169 -11.972 0.060 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.766 -12.370 -0.617 1.00 0.00 H new ATOM 1115 N VAL A 70 8.198 -10.151 -1.252 1.00 0.00 N ATOM 1116 CA VAL A 70 6.783 -9.955 -1.358 1.00 0.00 C ATOM 1117 C VAL A 70 6.135 -10.086 -0.008 1.00 0.00 C ATOM 1118 O VAL A 70 6.363 -11.052 0.723 1.00 0.00 O ATOM 1119 CB VAL A 70 6.120 -10.947 -2.366 1.00 0.00 C ATOM 1120 CG1 VAL A 70 6.545 -10.630 -3.778 1.00 0.00 C ATOM 1121 CG2 VAL A 70 6.463 -12.399 -2.041 1.00 0.00 C ATOM 0 H VAL A 70 8.527 -11.040 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 70 6.628 -8.947 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 70 5.041 -10.825 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.073 -11.331 -4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.241 -9.614 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.629 -10.715 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.983 -13.057 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.543 -12.537 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.108 -12.641 -1.039 1.00 0.00 H new ATOM 1131 N MET A 71 5.432 -9.075 0.377 1.00 0.00 N ATOM 1132 CA MET A 71 4.704 -9.149 1.602 1.00 0.00 C ATOM 1133 C MET A 71 3.401 -9.806 1.232 1.00 0.00 C ATOM 1134 O MET A 71 2.798 -9.435 0.222 1.00 0.00 O ATOM 1135 CB MET A 71 4.466 -7.759 2.253 1.00 0.00 C ATOM 1136 CG MET A 71 3.506 -6.830 1.497 1.00 0.00 C ATOM 1137 SD MET A 71 3.211 -5.254 2.335 1.00 0.00 S ATOM 1138 CE MET A 71 1.928 -4.552 1.296 1.00 0.00 C ATOM 0 H MET A 71 5.345 -8.195 -0.131 1.00 0.00 H new ATOM 0 HA MET A 71 5.262 -9.709 2.353 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.079 -7.911 3.260 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.427 -7.255 2.354 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.911 -6.634 0.504 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.554 -7.341 1.358 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.107 -3.484 1.168 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.940 -5.041 0.322 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.956 -4.703 1.766 1.00 0.00 H new ATOM 1148 N ILE A 72 2.980 -10.784 1.965 1.00 0.00 N ATOM 1149 CA ILE A 72 1.769 -11.458 1.608 1.00 0.00 C ATOM 1150 C ILE A 72 0.689 -11.278 2.672 1.00 0.00 C ATOM 1151 O ILE A 72 0.520 -12.112 3.556 1.00 0.00 O ATOM 1152 CB ILE A 72 2.004 -12.974 1.230 1.00 0.00 C ATOM 1153 CG1 ILE A 72 0.693 -13.691 0.838 1.00 0.00 C ATOM 1154 CG2 ILE A 72 2.759 -13.746 2.317 1.00 0.00 C ATOM 1155 CD1 ILE A 72 0.020 -13.123 -0.399 1.00 0.00 C ATOM 0 H ILE A 72 3.446 -11.132 2.803 1.00 0.00 H new ATOM 0 HA ILE A 72 1.400 -10.982 0.700 1.00 0.00 H new ATOM 0 HB ILE A 72 2.644 -12.963 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.905 -14.747 0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.003 -13.635 1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.891 -14.781 2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.735 -13.288 2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.188 -13.719 3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.893 -13.682 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.227 -12.075 -0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.696 -13.204 -1.250 1.00 0.00 H new ATOM 1167 N PRO A 73 -0.006 -10.143 2.663 1.00 0.00 N ATOM 1168 CA PRO A 73 -1.058 -9.905 3.570 1.00 0.00 C ATOM 1169 C PRO A 73 -2.346 -10.408 2.961 1.00 0.00 C ATOM 1170 O PRO A 73 -2.908 -9.802 2.046 1.00 0.00 O ATOM 1171 CB PRO A 73 -1.064 -8.385 3.751 1.00 0.00 C ATOM 1172 CG PRO A 73 -0.171 -7.844 2.667 1.00 0.00 C ATOM 1173 CD PRO A 73 0.162 -9.006 1.771 1.00 0.00 C ATOM 0 HA PRO A 73 -0.945 -10.412 4.528 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.074 -7.984 3.663 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.695 -8.106 4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.673 -7.054 2.108 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.734 -7.409 3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.506 -9.061 0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.178 -8.941 1.382 1.00 0.00 H new ATOM 1181 N TYR A 74 -2.798 -11.522 3.448 1.00 0.00 N ATOM 1182 CA TYR A 74 -3.975 -12.178 2.952 1.00 0.00 C ATOM 1183 C TYR A 74 -5.160 -11.580 3.669 1.00 0.00 C ATOM 1184 O TYR A 74 -5.912 -12.238 4.394 1.00 0.00 O ATOM 1185 CB TYR A 74 -3.855 -13.677 3.215 1.00 0.00 C ATOM 1186 CG TYR A 74 -4.866 -14.550 2.499 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -4.790 -14.754 1.124 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -5.887 -15.174 3.193 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -5.705 -15.560 0.472 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -6.798 -15.978 2.554 1.00 0.00 C ATOM 1191 CZ TYR A 74 -6.707 -16.170 1.196 1.00 0.00 C ATOM 1192 OH TYR A 74 -7.628 -16.987 0.556 1.00 0.00 O ATOM 0 H TYR A 74 -2.350 -12.015 4.220 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.097 -12.039 1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.854 -13.999 2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.949 -13.848 4.287 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.004 -14.275 0.558 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.969 -15.026 4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.635 -15.710 -0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.584 -16.459 3.117 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.265 -17.338 1.212 1.00 0.00 H new ATOM 1202 N THR A 75 -5.260 -10.320 3.533 1.00 0.00 N ATOM 1203 CA THR A 75 -6.277 -9.606 4.128 1.00 0.00 C ATOM 1204 C THR A 75 -7.417 -9.536 3.148 1.00 0.00 C ATOM 1205 O THR A 75 -7.199 -9.189 1.978 1.00 0.00 O ATOM 1206 CB THR A 75 -5.781 -8.201 4.505 1.00 0.00 C ATOM 1207 OG1 THR A 75 -5.203 -7.580 3.346 1.00 0.00 O ATOM 1208 CG2 THR A 75 -4.727 -8.268 5.604 1.00 0.00 C ATOM 0 H THR A 75 -4.611 -9.753 2.987 1.00 0.00 H new ATOM 0 HA THR A 75 -6.609 -10.091 5.046 1.00 0.00 H new ATOM 0 HB THR A 75 -6.630 -7.622 4.869 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.660 -7.901 2.541 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.394 -7.260 5.851 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.155 -8.736 6.491 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.877 -8.856 5.258 1.00 0.00 H new ATOM 1216 N LYS A 76 -8.590 -9.911 3.585 1.00 0.00 N ATOM 1217 CA LYS A 76 -9.765 -9.875 2.735 1.00 0.00 C ATOM 1218 C LYS A 76 -10.563 -8.614 3.052 1.00 0.00 C ATOM 1219 O LYS A 76 -11.285 -8.591 4.050 1.00 0.00 O ATOM 1220 CB LYS A 76 -10.660 -11.101 2.987 1.00 0.00 C ATOM 1221 CG LYS A 76 -9.996 -12.460 2.801 1.00 0.00 C ATOM 1222 CD LYS A 76 -10.985 -13.577 3.121 1.00 0.00 C ATOM 1223 CE LYS A 76 -10.376 -14.959 2.953 1.00 0.00 C ATOM 1224 NZ LYS A 76 -11.356 -16.038 3.245 1.00 0.00 N ATOM 0 H LYS A 76 -8.764 -10.249 4.532 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.444 -9.880 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.045 -11.043 4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.519 -11.043 2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.640 -12.562 1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.124 -12.539 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.339 -13.462 4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.855 -13.485 2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.006 -15.071 1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.517 -15.060 3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.900 -16.964 3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.690 -15.947 4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.164 -15.958 2.595 1.00 0.00 H new ATOM 1238 N PRO A 77 -10.380 -7.521 2.290 1.00 0.00 N ATOM 1239 CA PRO A 77 -11.098 -6.293 2.498 1.00 0.00 C ATOM 1240 C PRO A 77 -12.181 -6.094 1.431 1.00 0.00 C ATOM 1241 O PRO A 77 -12.510 -7.012 0.675 1.00 0.00 O ATOM 1242 CB PRO A 77 -9.985 -5.256 2.292 1.00 0.00 C ATOM 1243 CG PRO A 77 -9.012 -5.909 1.336 1.00 0.00 C ATOM 1244 CD PRO A 77 -9.431 -7.362 1.190 1.00 0.00 C ATOM 0 HA PRO A 77 -11.609 -6.245 3.460 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.382 -4.329 1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.501 -5.004 3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.026 -5.406 0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.993 -5.839 1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.893 -7.557 0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.584 -8.041 1.282 1.00 0.00 H new ATOM 1252 N CYS A 78 -12.694 -4.891 1.347 1.00 0.00 N ATOM 1253 CA CYS A 78 -13.685 -4.550 0.349 1.00 0.00 C ATOM 1254 C CYS A 78 -12.982 -3.905 -0.864 1.00 0.00 C ATOM 1255 O CYS A 78 -13.617 -3.343 -1.747 1.00 0.00 O ATOM 1256 CB CYS A 78 -14.740 -3.601 0.962 1.00 0.00 C ATOM 1257 SG CYS A 78 -16.112 -3.140 -0.132 1.00 0.00 S ATOM 0 H CYS A 78 -12.439 -4.121 1.965 1.00 0.00 H new ATOM 0 HA CYS A 78 -14.201 -5.448 0.010 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -15.153 -4.074 1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -14.237 -2.690 1.288 1.00 0.00 H new ATOM 0 HG CYS A 78 -15.676 -3.031 -1.352 1.00 0.00 H new ATOM 1263 N TYR A 79 -11.667 -4.003 -0.901 1.00 0.00 N ATOM 1264 CA TYR A 79 -10.903 -3.434 -1.995 1.00 0.00 C ATOM 1265 C TYR A 79 -10.155 -4.538 -2.754 1.00 0.00 C ATOM 1266 O TYR A 79 -10.636 -5.022 -3.782 1.00 0.00 O ATOM 1267 CB TYR A 79 -9.945 -2.335 -1.486 1.00 0.00 C ATOM 1268 CG TYR A 79 -9.195 -1.596 -2.581 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -9.848 -0.677 -3.388 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -7.837 -1.807 -2.795 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -9.176 0.010 -4.377 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -7.159 -1.126 -3.785 1.00 0.00 C ATOM 1273 CZ TYR A 79 -7.835 -0.217 -4.572 1.00 0.00 C ATOM 1274 OH TYR A 79 -7.164 0.466 -5.555 1.00 0.00 O ATOM 0 H TYR A 79 -11.106 -4.470 -0.188 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.592 -2.960 -2.694 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.518 -1.613 -0.904 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.221 -2.787 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.902 -0.496 -3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.305 -2.515 -2.177 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.701 0.723 -4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.105 -1.304 -3.943 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.580 -0.152 -6.042 1.00 0.00 H new ATOM 1284 N GLY A 80 -9.021 -4.962 -2.223 1.00 0.00 N ATOM 1285 CA GLY A 80 -8.239 -5.998 -2.847 1.00 0.00 C ATOM 1286 C GLY A 80 -7.033 -6.322 -2.005 1.00 0.00 C ATOM 1287 O GLY A 80 -6.813 -5.678 -0.976 1.00 0.00 O ATOM 0 H GLY A 80 -8.625 -4.598 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.848 -6.892 -2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.922 -5.676 -3.839 1.00 0.00 H new ATOM 1291 N THR A 81 -6.275 -7.296 -2.416 1.00 0.00 N ATOM 1292 CA THR A 81 -5.105 -7.723 -1.706 1.00 0.00 C ATOM 1293 C THR A 81 -3.882 -7.026 -2.282 1.00 0.00 C ATOM 1294 O THR A 81 -3.695 -6.952 -3.511 1.00 0.00 O ATOM 1295 CB THR A 81 -4.964 -9.247 -1.776 1.00 0.00 C ATOM 1296 OG1 THR A 81 -6.192 -9.876 -1.346 1.00 0.00 O ATOM 1297 CG2 THR A 81 -3.813 -9.753 -0.924 1.00 0.00 C ATOM 0 H THR A 81 -6.456 -7.825 -3.269 1.00 0.00 H new ATOM 0 HA THR A 81 -5.196 -7.450 -0.655 1.00 0.00 H new ATOM 0 HB THR A 81 -4.753 -9.507 -2.813 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.095 -10.850 -1.395 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.751 -10.838 -1.004 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.880 -9.309 -1.272 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.981 -9.475 0.116 1.00 0.00 H new ATOM 1305 N ALA A 82 -3.052 -6.548 -1.402 1.00 0.00 N ATOM 1306 CA ALA A 82 -1.911 -5.794 -1.775 1.00 0.00 C ATOM 1307 C ALA A 82 -0.608 -6.510 -1.482 1.00 0.00 C ATOM 1308 O ALA A 82 -0.247 -6.698 -0.342 1.00 0.00 O ATOM 1309 CB ALA A 82 -1.944 -4.479 -1.029 1.00 0.00 C ATOM 0 H ALA A 82 -3.157 -6.677 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.949 -5.641 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.073 -3.883 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.852 -3.935 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.931 -4.669 0.044 1.00 0.00 H new ATOM 1315 N VAL A 83 0.085 -6.882 -2.514 1.00 0.00 N ATOM 1316 CA VAL A 83 1.375 -7.517 -2.395 1.00 0.00 C ATOM 1317 C VAL A 83 2.382 -6.551 -3.020 1.00 0.00 C ATOM 1318 O VAL A 83 2.097 -5.946 -4.053 1.00 0.00 O ATOM 1319 CB VAL A 83 1.388 -8.884 -3.150 1.00 0.00 C ATOM 1320 CG1 VAL A 83 2.689 -9.637 -2.919 1.00 0.00 C ATOM 1321 CG2 VAL A 83 0.199 -9.750 -2.738 1.00 0.00 C ATOM 0 H VAL A 83 -0.227 -6.755 -3.477 1.00 0.00 H new ATOM 0 HA VAL A 83 1.618 -7.727 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 83 1.307 -8.664 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.663 -10.583 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.525 -9.037 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.813 -9.831 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.233 -10.696 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.244 -9.943 -1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.729 -9.230 -2.975 1.00 0.00 H new ATOM 1331 N VAL A 84 3.494 -6.324 -2.375 1.00 0.00 N ATOM 1332 CA VAL A 84 4.507 -5.406 -2.893 1.00 0.00 C ATOM 1333 C VAL A 84 5.862 -6.048 -2.716 1.00 0.00 C ATOM 1334 O VAL A 84 6.032 -6.879 -1.812 1.00 0.00 O ATOM 1335 CB VAL A 84 4.488 -3.987 -2.177 1.00 0.00 C ATOM 1336 CG1 VAL A 84 3.121 -3.358 -2.230 1.00 0.00 C ATOM 1337 CG2 VAL A 84 5.009 -4.045 -0.742 1.00 0.00 C ATOM 0 H VAL A 84 3.735 -6.758 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 84 4.287 -5.223 -3.945 1.00 0.00 H new ATOM 0 HB VAL A 84 5.174 -3.353 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.147 -2.389 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.823 -3.223 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.403 -4.006 -1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.974 -3.049 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.388 -4.723 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.038 -4.405 -0.743 1.00 0.00 H new ATOM 1347 N GLU A 85 6.789 -5.714 -3.582 1.00 0.00 N ATOM 1348 CA GLU A 85 8.135 -6.220 -3.491 1.00 0.00 C ATOM 1349 C GLU A 85 9.085 -5.110 -3.883 1.00 0.00 C ATOM 1350 O GLU A 85 8.987 -4.554 -4.981 1.00 0.00 O ATOM 1351 CB GLU A 85 8.343 -7.405 -4.419 1.00 0.00 C ATOM 1352 CG GLU A 85 9.685 -8.082 -4.231 1.00 0.00 C ATOM 1353 CD GLU A 85 9.996 -9.049 -5.323 1.00 0.00 C ATOM 1354 OE1 GLU A 85 9.603 -10.230 -5.242 1.00 0.00 O ATOM 1355 OE2 GLU A 85 10.666 -8.648 -6.286 1.00 0.00 O ATOM 0 H GLU A 85 6.630 -5.084 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 85 8.320 -6.554 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.549 -8.133 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.254 -7.069 -5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.467 -7.324 -4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.694 -8.604 -3.274 1.00 0.00 H new ATOM 1362 N LEU A 86 9.971 -4.769 -3.010 1.00 0.00 N ATOM 1363 CA LEU A 86 10.891 -3.701 -3.267 1.00 0.00 C ATOM 1364 C LEU A 86 12.279 -4.302 -3.604 1.00 0.00 C ATOM 1365 O LEU A 86 12.668 -5.297 -3.016 1.00 0.00 O ATOM 1366 CB LEU A 86 10.977 -2.834 -2.009 1.00 0.00 C ATOM 1367 CG LEU A 86 11.770 -1.538 -2.113 1.00 0.00 C ATOM 1368 CD1 LEU A 86 11.046 -0.496 -2.953 1.00 0.00 C ATOM 1369 CD2 LEU A 86 12.110 -1.009 -0.741 1.00 0.00 C ATOM 0 H LEU A 86 10.082 -5.217 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 86 10.559 -3.093 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.962 -2.586 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.415 -3.436 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 86 12.704 -1.761 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.646 0.413 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.892 -0.884 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.081 -0.270 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.676 -0.083 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.191 -0.816 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.708 -1.746 -0.205 1.00 0.00 H new ATOM 1381 N PRO A 87 13.016 -3.764 -4.593 1.00 0.00 N ATOM 1382 CA PRO A 87 14.374 -4.250 -4.932 1.00 0.00 C ATOM 1383 C PRO A 87 15.444 -3.579 -4.074 1.00 0.00 C ATOM 1384 O PRO A 87 16.645 -3.808 -4.239 1.00 0.00 O ATOM 1385 CB PRO A 87 14.550 -3.824 -6.395 1.00 0.00 C ATOM 1386 CG PRO A 87 13.255 -3.208 -6.797 1.00 0.00 C ATOM 1387 CD PRO A 87 12.601 -2.736 -5.535 1.00 0.00 C ATOM 0 HA PRO A 87 14.478 -5.322 -4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.370 -3.114 -6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.788 -4.681 -7.026 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.417 -2.378 -7.484 1.00 0.00 H new ATOM 0 HG3 PRO A 87 12.625 -3.932 -7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.946 -1.745 -5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.517 -2.680 -5.631 1.00 0.00 H new ATOM 1395 N VAL A 88 15.002 -2.746 -3.180 1.00 0.00 N ATOM 1396 CA VAL A 88 15.877 -2.028 -2.299 1.00 0.00 C ATOM 1397 C VAL A 88 15.804 -2.710 -0.953 1.00 0.00 C ATOM 1398 O VAL A 88 14.771 -3.305 -0.617 1.00 0.00 O ATOM 1399 CB VAL A 88 15.444 -0.538 -2.133 1.00 0.00 C ATOM 1400 CG1 VAL A 88 16.525 0.295 -1.460 1.00 0.00 C ATOM 1401 CG2 VAL A 88 15.012 0.084 -3.455 1.00 0.00 C ATOM 0 H VAL A 88 14.012 -2.543 -3.039 1.00 0.00 H new ATOM 0 HA VAL A 88 16.886 -2.031 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 88 14.574 -0.539 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.183 1.326 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.735 -0.112 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.433 0.269 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.719 1.121 -3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.841 0.048 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.166 -0.472 -3.859 1.00 0.00 H new ATOM 1411 N ASP A 89 16.875 -2.633 -0.217 1.00 0.00 N ATOM 1412 CA ASP A 89 16.998 -3.247 1.095 1.00 0.00 C ATOM 1413 C ASP A 89 15.953 -2.655 2.058 1.00 0.00 C ATOM 1414 O ASP A 89 15.641 -1.459 1.962 1.00 0.00 O ATOM 1415 CB ASP A 89 18.421 -2.997 1.621 1.00 0.00 C ATOM 1416 CG ASP A 89 18.735 -3.739 2.894 1.00 0.00 C ATOM 1417 OD1 ASP A 89 18.407 -3.248 3.992 1.00 0.00 O ATOM 1418 OD2 ASP A 89 19.314 -4.837 2.812 1.00 0.00 O ATOM 0 H ASP A 89 17.713 -2.132 -0.510 1.00 0.00 H new ATOM 0 HA ASP A 89 16.819 -4.320 1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.139 -3.289 0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.553 -1.929 1.791 1.00 0.00 H new ATOM 1423 N PRO A 90 15.387 -3.483 2.990 1.00 0.00 N ATOM 1424 CA PRO A 90 14.354 -3.067 3.970 1.00 0.00 C ATOM 1425 C PRO A 90 14.704 -1.802 4.759 1.00 0.00 C ATOM 1426 O PRO A 90 13.811 -1.149 5.301 1.00 0.00 O ATOM 1427 CB PRO A 90 14.236 -4.270 4.924 1.00 0.00 C ATOM 1428 CG PRO A 90 15.397 -5.144 4.601 1.00 0.00 C ATOM 1429 CD PRO A 90 15.686 -4.913 3.151 1.00 0.00 C ATOM 0 HA PRO A 90 13.429 -2.810 3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 90 14.263 -3.950 5.966 1.00 0.00 H new ATOM 0 HB3 PRO A 90 13.294 -4.798 4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 90 16.260 -4.892 5.217 1.00 0.00 H new ATOM 0 HG3 PRO A 90 15.164 -6.192 4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 90 16.723 -5.141 2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 90 15.060 -5.533 2.509 1.00 0.00 H new ATOM 1437 N GLU A 91 15.991 -1.432 4.789 1.00 0.00 N ATOM 1438 CA GLU A 91 16.443 -0.209 5.468 1.00 0.00 C ATOM 1439 C GLU A 91 15.780 1.038 4.848 1.00 0.00 C ATOM 1440 O GLU A 91 15.766 2.126 5.455 1.00 0.00 O ATOM 1441 CB GLU A 91 17.953 -0.055 5.369 1.00 0.00 C ATOM 1442 CG GLU A 91 18.458 0.043 3.941 1.00 0.00 C ATOM 1443 CD GLU A 91 19.865 0.524 3.875 1.00 0.00 C ATOM 1444 OE1 GLU A 91 20.067 1.755 3.910 1.00 0.00 O ATOM 1445 OE2 GLU A 91 20.787 -0.302 3.784 1.00 0.00 O ATOM 0 H GLU A 91 16.741 -1.965 4.349 1.00 0.00 H new ATOM 0 HA GLU A 91 16.155 -0.297 6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.256 0.838 5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.430 -0.905 5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.387 -0.935 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.817 0.720 3.376 1.00 0.00 H new ATOM 1452 N GLU A 92 15.257 0.866 3.629 1.00 0.00 N ATOM 1453 CA GLU A 92 14.551 1.897 2.892 1.00 0.00 C ATOM 1454 C GLU A 92 13.323 2.348 3.689 1.00 0.00 C ATOM 1455 O GLU A 92 12.931 3.495 3.612 1.00 0.00 O ATOM 1456 CB GLU A 92 14.137 1.339 1.512 1.00 0.00 C ATOM 1457 CG GLU A 92 13.412 2.306 0.563 1.00 0.00 C ATOM 1458 CD GLU A 92 14.245 3.488 0.118 1.00 0.00 C ATOM 1459 OE1 GLU A 92 15.418 3.314 -0.265 1.00 0.00 O ATOM 1460 OE2 GLU A 92 13.745 4.615 0.126 1.00 0.00 O ATOM 0 H GLU A 92 15.319 -0.018 3.124 1.00 0.00 H new ATOM 0 HA GLU A 92 15.199 2.761 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.034 0.978 1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.492 0.475 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.086 1.754 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.514 2.676 1.058 1.00 0.00 H new ATOM 1467 N ILE A 93 12.769 1.446 4.517 1.00 0.00 N ATOM 1468 CA ILE A 93 11.589 1.751 5.321 1.00 0.00 C ATOM 1469 C ILE A 93 11.853 2.923 6.264 1.00 0.00 C ATOM 1470 O ILE A 93 11.020 3.785 6.411 1.00 0.00 O ATOM 1471 CB ILE A 93 11.078 0.513 6.127 1.00 0.00 C ATOM 1472 CG1 ILE A 93 10.623 -0.593 5.165 1.00 0.00 C ATOM 1473 CG2 ILE A 93 9.934 0.896 7.082 1.00 0.00 C ATOM 1474 CD1 ILE A 93 10.130 -1.849 5.855 1.00 0.00 C ATOM 0 H ILE A 93 13.126 0.499 4.642 1.00 0.00 H new ATOM 0 HA ILE A 93 10.802 2.032 4.621 1.00 0.00 H new ATOM 0 HB ILE A 93 11.905 0.141 6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.827 -0.203 4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.454 -0.854 4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.603 0.012 7.626 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.286 1.647 7.789 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.101 1.301 6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.827 -2.581 5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.930 -2.266 6.467 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.278 -1.605 6.489 1.00 0.00 H new ATOM 1486 N GLU A 94 13.051 2.993 6.831 1.00 0.00 N ATOM 1487 CA GLU A 94 13.378 4.077 7.771 1.00 0.00 C ATOM 1488 C GLU A 94 13.427 5.417 7.053 1.00 0.00 C ATOM 1489 O GLU A 94 13.068 6.459 7.610 1.00 0.00 O ATOM 1490 CB GLU A 94 14.700 3.828 8.452 1.00 0.00 C ATOM 1491 CG GLU A 94 14.774 2.517 9.175 1.00 0.00 C ATOM 1492 CD GLU A 94 15.999 2.417 10.016 1.00 0.00 C ATOM 1493 OE1 GLU A 94 17.087 2.108 9.487 1.00 0.00 O ATOM 1494 OE2 GLU A 94 15.894 2.623 11.242 1.00 0.00 O ATOM 0 H GLU A 94 13.806 2.328 6.665 1.00 0.00 H new ATOM 0 HA GLU A 94 12.592 4.101 8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.494 3.866 7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.890 4.634 9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.891 2.398 9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.762 1.702 8.451 1.00 0.00 H new ATOM 1501 N ARG A 95 13.861 5.374 5.820 1.00 0.00 N ATOM 1502 CA ARG A 95 13.931 6.542 4.966 1.00 0.00 C ATOM 1503 C ARG A 95 12.510 6.923 4.597 1.00 0.00 C ATOM 1504 O ARG A 95 12.097 8.064 4.714 1.00 0.00 O ATOM 1505 CB ARG A 95 14.706 6.169 3.713 1.00 0.00 C ATOM 1506 CG ARG A 95 14.896 7.272 2.697 1.00 0.00 C ATOM 1507 CD ARG A 95 15.488 6.672 1.453 1.00 0.00 C ATOM 1508 NE ARG A 95 15.784 7.645 0.401 1.00 0.00 N ATOM 1509 CZ ARG A 95 15.919 7.332 -0.899 1.00 0.00 C ATOM 1510 NH1 ARG A 95 15.584 6.119 -1.335 1.00 0.00 N ATOM 1511 NH2 ARG A 95 16.342 8.249 -1.760 1.00 0.00 N ATOM 0 H ARG A 95 14.181 4.517 5.370 1.00 0.00 H new ATOM 0 HA ARG A 95 14.426 7.376 5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 95 15.689 5.805 4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.194 5.339 3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.942 7.749 2.472 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.553 8.046 3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.407 6.148 1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 95 14.798 5.926 1.059 1.00 0.00 H new ATOM 0 HE ARG A 95 15.895 8.622 0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 95 15.223 5.424 -0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 95 15.688 5.885 -2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 95 16.564 9.190 -1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 95 16.445 8.013 -2.747 1.00 0.00 H new ATOM 1525 N ILE A 96 11.760 5.918 4.233 1.00 0.00 N ATOM 1526 CA ILE A 96 10.380 6.030 3.843 1.00 0.00 C ATOM 1527 C ILE A 96 9.504 6.480 5.023 1.00 0.00 C ATOM 1528 O ILE A 96 8.460 7.037 4.825 1.00 0.00 O ATOM 1529 CB ILE A 96 9.923 4.674 3.237 1.00 0.00 C ATOM 1530 CG1 ILE A 96 10.470 4.469 1.812 1.00 0.00 C ATOM 1531 CG2 ILE A 96 8.426 4.405 3.312 1.00 0.00 C ATOM 1532 CD1 ILE A 96 9.994 5.491 0.803 1.00 0.00 C ATOM 0 H ILE A 96 12.108 4.960 4.199 1.00 0.00 H new ATOM 0 HA ILE A 96 10.268 6.802 3.081 1.00 0.00 H new ATOM 0 HB ILE A 96 10.369 3.921 3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 96 11.559 4.493 1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 96 10.184 3.476 1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.208 3.436 2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.109 4.402 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.889 5.184 2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.428 5.269 -0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.907 5.454 0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.303 6.487 1.120 1.00 0.00 H new ATOM 1544 N LEU A 97 9.973 6.258 6.237 1.00 0.00 N ATOM 1545 CA LEU A 97 9.267 6.685 7.433 1.00 0.00 C ATOM 1546 C LEU A 97 9.400 8.200 7.600 1.00 0.00 C ATOM 1547 O LEU A 97 8.510 8.861 8.124 1.00 0.00 O ATOM 1548 CB LEU A 97 9.809 5.954 8.668 1.00 0.00 C ATOM 1549 CG LEU A 97 9.115 6.261 9.999 1.00 0.00 C ATOM 1550 CD1 LEU A 97 7.640 5.885 9.945 1.00 0.00 C ATOM 1551 CD2 LEU A 97 9.808 5.535 11.139 1.00 0.00 C ATOM 0 H LEU A 97 10.853 5.777 6.423 1.00 0.00 H new ATOM 0 HA LEU A 97 8.211 6.434 7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.742 4.881 8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.867 6.195 8.771 1.00 0.00 H new ATOM 0 HG LEU A 97 9.184 7.334 10.177 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.171 6.113 10.902 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.148 6.453 9.155 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.544 4.819 9.739 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.302 5.764 12.077 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.773 4.460 10.961 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.847 5.859 11.198 1.00 0.00 H new ATOM 1563 N GLU A 98 10.505 8.735 7.126 1.00 0.00 N ATOM 1564 CA GLU A 98 10.743 10.165 7.170 1.00 0.00 C ATOM 1565 C GLU A 98 9.964 10.796 6.031 1.00 0.00 C ATOM 1566 O GLU A 98 9.309 11.827 6.172 1.00 0.00 O ATOM 1567 CB GLU A 98 12.227 10.446 6.943 1.00 0.00 C ATOM 1568 CG GLU A 98 12.611 11.904 7.092 1.00 0.00 C ATOM 1569 CD GLU A 98 13.984 12.194 6.560 1.00 0.00 C ATOM 1570 OE1 GLU A 98 14.986 11.807 7.199 1.00 0.00 O ATOM 1571 OE2 GLU A 98 14.086 12.833 5.490 1.00 0.00 O ATOM 0 H GLU A 98 11.260 8.196 6.702 1.00 0.00 H new ATOM 0 HA GLU A 98 10.437 10.566 8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.810 9.854 7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.500 10.110 5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.883 12.523 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.567 12.182 8.145 1.00 0.00 H new ATOM 1578 N VAL A 99 10.022 10.123 4.917 1.00 0.00 N ATOM 1579 CA VAL A 99 9.410 10.548 3.676 1.00 0.00 C ATOM 1580 C VAL A 99 7.938 10.023 3.598 1.00 0.00 C ATOM 1581 O VAL A 99 7.287 10.052 2.541 1.00 0.00 O ATOM 1582 CB VAL A 99 10.282 9.991 2.486 1.00 0.00 C ATOM 1583 CG1 VAL A 99 9.831 10.522 1.136 1.00 0.00 C ATOM 1584 CG2 VAL A 99 11.747 10.356 2.692 1.00 0.00 C ATOM 0 H VAL A 99 10.512 9.232 4.838 1.00 0.00 H new ATOM 0 HA VAL A 99 9.371 11.636 3.617 1.00 0.00 H new ATOM 0 HB VAL A 99 10.154 8.909 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.465 10.107 0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.796 10.231 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 99 9.909 11.609 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.339 9.966 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.850 11.440 2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.102 9.923 3.627 1.00 0.00 H new ATOM 1594 N ALA A 100 7.420 9.600 4.745 1.00 0.00 N ATOM 1595 CA ALA A 100 6.080 9.014 4.863 1.00 0.00 C ATOM 1596 C ALA A 100 4.993 10.004 4.588 1.00 0.00 C ATOM 1597 O ALA A 100 3.964 9.670 4.013 1.00 0.00 O ATOM 1598 CB ALA A 100 5.878 8.427 6.254 1.00 0.00 C ATOM 0 H ALA A 100 7.920 9.653 5.632 1.00 0.00 H new ATOM 0 HA ALA A 100 6.017 8.229 4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.879 7.996 6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.622 7.651 6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 100 5.988 9.214 7.000 1.00 0.00 H new ATOM 1604 N GLU A 101 5.236 11.218 4.948 1.00 0.00 N ATOM 1605 CA GLU A 101 4.259 12.234 4.810 1.00 0.00 C ATOM 1606 C GLU A 101 4.866 13.443 4.114 1.00 0.00 C ATOM 1607 O GLU A 101 5.607 14.216 4.732 1.00 0.00 O ATOM 1608 CB GLU A 101 3.718 12.629 6.187 1.00 0.00 C ATOM 1609 CG GLU A 101 3.017 11.502 6.935 1.00 0.00 C ATOM 1610 CD GLU A 101 2.540 11.922 8.293 1.00 0.00 C ATOM 1611 OE1 GLU A 101 1.432 12.475 8.397 1.00 0.00 O ATOM 1612 OE2 GLU A 101 3.267 11.707 9.295 1.00 0.00 O ATOM 0 H GLU A 101 6.121 11.531 5.347 1.00 0.00 H new ATOM 0 HA GLU A 101 3.434 11.858 4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.544 12.995 6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.020 13.457 6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.168 11.154 6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.700 10.659 7.038 1.00 0.00 H new ATOM 1619 N PRO A 102 4.653 13.565 2.813 1.00 0.00 N ATOM 1620 CA PRO A 102 5.130 14.695 2.019 1.00 0.00 C ATOM 1621 C PRO A 102 4.236 15.922 2.207 1.00 0.00 C ATOM 1622 O PRO A 102 3.106 15.936 1.685 1.00 0.00 O ATOM 1623 CB PRO A 102 5.060 14.164 0.571 1.00 0.00 C ATOM 1624 CG PRO A 102 4.802 12.704 0.730 1.00 0.00 C ATOM 1625 CD PRO A 102 3.982 12.595 1.964 1.00 0.00 C ATOM 1626 OXT PRO A 102 4.649 16.863 2.913 1.00 0.00 O ATOM 0 HA PRO A 102 6.129 15.024 2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 102 4.264 14.650 0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 102 5.990 14.348 0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 102 4.273 12.300 -0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 102 5.733 12.146 0.824 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.936 12.849 1.791 1.00 0.00 H new ATOM 0 HD3 PRO A 102 4.001 11.591 2.387 1.00 0.00 H new