USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 726 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 1 MET CE :methyl -125:sc= 0 (180deg=-0.108) USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 14 ASN : amide:sc= 1.22 K(o=1.4,f=-1.1) USER MOD Set 2.2: A 65 HIS : no HE2:sc= 0.156 K(o=1.4,f=-4.2!) USER MOD Set 3.1: A 4 TYR OH : rot 134:sc= 2.14 USER MOD Set 3.2: A 27 CYS SG : rot -22:sc= 0.582 USER MOD Set 3.3: A 62 TYR OH : rot 180:sc= 1.17 USER MOD Single : A 1 MET N :NH3+ -118:sc=-0.000737 (180deg=-0.0597) USER MOD Single : A 6 THR OG1 : rot 79:sc= 1.15 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 12 THR OG1 : rot -52:sc= 1.12 USER MOD Single : A 13 ASN : amide:sc= -0.0218 K(o=-0.022,f=-1.4!) USER MOD Single : A 16 THR OG1 : rot -73:sc= 0.633 USER MOD Single : A 22 GLN : amide:sc= 0.336 K(o=0.34,f=-0.76) USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.12) USER MOD Single : A 25 SER OG : rot -56:sc= 1.3 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= 1.13 (180deg=0.838) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 75:sc= 0.753 USER MOD Single : A 52 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= 1.11 (180deg=0.956) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.0386 K(o=0.039,f=-1.8!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -22:sc= 0.979 USER MOD Single : A 77 THR OG1 : rot 69:sc= 0.792 USER MOD Single : A 78 MET CE :methyl 170:sc= -0.249 (180deg=-0.5) USER MOD Single : A 82 TYR OH : rot 164:sc= 1.25 USER MOD Single : A 84 THR OG1 : rot 71:sc= 0.725 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.992 17.740 -6.604 1.00 0.00 N0 ATOM 2 CA MET A 1 -0.055 16.912 -7.354 1.00 0.00 C0 ATOM 3 C MET A 1 1.019 17.762 -8.020 1.00 0.00 C0 ATOM 4 O MET A 1 1.213 17.696 -9.233 1.00 0.00 O0 ATOM 5 CB MET A 1 -0.801 16.083 -8.398 1.00 0.00 C0 ATOM 6 CG MET A 1 -1.724 15.022 -7.815 1.00 0.00 C0 ATOM 7 SD MET A 1 -2.528 14.026 -9.087 1.00 0.00 S0 ATOM 8 CE MET A 1 -3.718 15.197 -9.733 1.00 0.00 C0 ATOM 0 H1 MET A 1 -0.952 17.485 -5.597 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.738 18.742 -6.718 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.956 17.585 -6.962 1.00 0.00 H new ATOM 0 HA MET A 1 0.437 16.238 -6.653 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.389 16.754 -9.025 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.072 15.597 -9.047 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.151 14.370 -7.156 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.485 15.505 -7.202 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.718 14.766 -9.682 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.687 16.112 -9.141 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.475 15.428 -10.770 1.00 0.00 H new ATOM 20 N ALA A 2 1.716 18.560 -7.219 1.00 0.00 N0 ATOM 21 CA ALA A 2 2.741 19.460 -7.735 1.00 0.00 C0 ATOM 22 C ALA A 2 3.896 18.681 -8.351 1.00 0.00 C0 ATOM 23 O ALA A 2 4.344 18.987 -9.456 1.00 0.00 O0 ATOM 24 CB ALA A 2 3.249 20.374 -6.631 1.00 0.00 C0 ATOM 0 H ALA A 2 1.590 18.602 -6.208 1.00 0.00 H new ATOM 0 HA ALA A 2 2.290 20.071 -8.517 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.013 21.039 -7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.422 20.966 -6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.676 19.773 -5.829 1.00 0.00 H new ATOM 30 N GLU A 3 4.378 17.675 -7.630 1.00 0.00 N0 ATOM 31 CA GLU A 3 5.477 16.846 -8.108 1.00 0.00 C0 ATOM 32 C GLU A 3 5.062 16.025 -9.322 1.00 0.00 C0 ATOM 33 O GLU A 3 5.743 16.028 -10.347 1.00 0.00 O0 ATOM 34 CB GLU A 3 5.968 15.917 -6.995 1.00 0.00 C0 ATOM 35 CG GLU A 3 7.112 14.999 -7.401 1.00 0.00 C0 ATOM 36 CD GLU A 3 7.654 14.197 -6.251 1.00 0.00 C0 ATOM 37 OE1 GLU A 3 7.602 14.672 -5.142 1.00 0.00 O0 ATOM 38 OE2 GLU A 3 8.123 13.107 -6.482 1.00 0.00 O1- ATOM 0 H GLU A 3 4.023 17.414 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 3 6.289 17.510 -8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.288 16.523 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.132 15.306 -6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.767 14.320 -8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.916 15.597 -7.831 1.00 0.00 H new ATOM 45 N TYR A 4 3.941 15.324 -9.201 1.00 0.00 N0 ATOM 46 CA TYR A 4 3.472 14.438 -10.259 1.00 0.00 C0 ATOM 47 C TYR A 4 3.217 15.207 -11.549 1.00 0.00 C0 ATOM 48 O TYR A 4 3.590 14.761 -12.634 1.00 0.00 O0 ATOM 49 CB TYR A 4 2.203 13.703 -9.820 1.00 0.00 C0 ATOM 50 CG TYR A 4 1.722 12.669 -10.814 1.00 0.00 C0 ATOM 51 CD1 TYR A 4 2.435 11.492 -10.990 1.00 0.00 C0 ATOM 52 CD2 TYR A 4 0.569 12.898 -11.550 1.00 0.00 C0 ATOM 53 CE1 TYR A 4 1.996 10.548 -11.898 1.00 0.00 C0 ATOM 54 CE2 TYR A 4 0.129 11.953 -12.457 1.00 0.00 C0 ATOM 55 CZ TYR A 4 0.839 10.782 -12.632 1.00 0.00 C0 ATOM 56 OH TYR A 4 0.400 9.842 -13.536 1.00 0.00 O0 ATOM 0 H TYR A 4 3.339 15.352 -8.378 1.00 0.00 H new ATOM 0 HA TYR A 4 4.255 13.704 -10.451 1.00 0.00 H new ATOM 0 HB2 TYR A 4 2.390 13.215 -8.863 1.00 0.00 H new ATOM 0 HB3 TYR A 4 1.410 14.433 -9.656 1.00 0.00 H new ATOM 0 HD1 TYR A 4 3.333 11.314 -10.417 1.00 0.00 H new ATOM 0 HD2 TYR A 4 0.015 13.815 -11.414 1.00 0.00 H new ATOM 0 HE1 TYR A 4 2.550 9.631 -12.037 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -0.770 12.130 -13.029 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.564 9.707 -13.425 1.00 0.00 H new ATOM 66 N GLY A 5 2.582 16.367 -11.424 1.00 0.00 N0 ATOM 67 CA GLY A 5 2.370 17.252 -12.564 1.00 0.00 C0 ATOM 68 C GLY A 5 3.694 17.647 -13.206 1.00 0.00 C0 ATOM 69 O GLY A 5 3.823 17.653 -14.430 1.00 0.00 O0 ATOM 0 H GLY A 5 2.204 16.717 -10.543 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.739 16.756 -13.301 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.838 18.147 -12.240 1.00 0.00 H new ATOM 73 N THR A 6 4.675 17.976 -12.373 1.00 0.00 N0 ATOM 74 CA THR A 6 6.017 18.285 -12.854 1.00 0.00 C0 ATOM 75 C THR A 6 6.634 17.090 -13.568 1.00 0.00 C0 ATOM 76 O THR A 6 7.279 17.241 -14.607 1.00 0.00 O0 ATOM 77 CB THR A 6 6.932 18.726 -11.696 1.00 0.00 C0 ATOM 78 OG1 THR A 6 6.399 19.907 -11.085 1.00 0.00 O0 ATOM 79 CG2 THR A 6 8.336 19.014 -12.207 1.00 0.00 C0 ATOM 0 H THR A 6 4.566 18.036 -11.361 1.00 0.00 H new ATOM 0 HA THR A 6 5.925 19.108 -13.563 1.00 0.00 H new ATOM 0 HB THR A 6 6.980 17.920 -10.964 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.660 19.662 -10.490 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.969 19.324 -11.376 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.749 18.114 -12.662 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.297 19.811 -12.950 1.00 0.00 H new ATOM 87 N LEU A 7 6.435 15.903 -13.007 1.00 0.00 N0 ATOM 88 CA LEU A 7 6.972 14.679 -13.590 1.00 0.00 C0 ATOM 89 C LEU A 7 6.387 14.425 -14.973 1.00 0.00 C0 ATOM 90 O LEU A 7 7.086 13.974 -15.880 1.00 0.00 O0 ATOM 91 CB LEU A 7 6.677 13.483 -12.676 1.00 0.00 C0 ATOM 92 CG LEU A 7 7.416 13.476 -11.331 1.00 0.00 C0 ATOM 93 CD1 LEU A 7 6.933 12.299 -10.493 1.00 0.00 C0 ATOM 94 CD2 LEU A 7 8.915 13.394 -11.576 1.00 0.00 C0 ATOM 0 H LEU A 7 5.905 15.762 -12.147 1.00 0.00 H new ATOM 0 HA LEU A 7 8.050 14.801 -13.690 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.605 13.454 -12.481 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.928 12.568 -13.213 1.00 0.00 H new ATOM 0 HG LEU A 7 7.207 14.396 -10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.457 12.293 -9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.861 12.392 -10.318 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.134 11.368 -11.023 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.440 13.389 -10.621 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.145 12.479 -12.121 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.236 14.256 -12.162 1.00 0.00 H new ATOM 106 N LEU A 8 5.100 14.718 -15.129 1.00 0.00 N0 ATOM 107 CA LEU A 8 4.434 14.579 -16.417 1.00 0.00 C0 ATOM 108 C LEU A 8 5.076 15.473 -17.470 1.00 0.00 C0 ATOM 109 O LEU A 8 5.201 15.089 -18.633 1.00 0.00 O0 ATOM 110 CB LEU A 8 2.945 14.924 -16.285 1.00 0.00 C0 ATOM 111 CG LEU A 8 2.100 13.927 -15.479 1.00 0.00 C0 ATOM 112 CD1 LEU A 8 0.700 14.491 -15.281 1.00 0.00 C0 ATOM 113 CD2 LEU A 8 2.054 12.593 -16.211 1.00 0.00 C0 ATOM 0 H LEU A 8 4.498 15.054 -14.377 1.00 0.00 H new ATOM 0 HA LEU A 8 4.539 13.542 -16.736 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.858 15.906 -15.819 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.520 15.007 -17.285 1.00 0.00 H new ATOM 0 HG LEU A 8 2.548 13.766 -14.498 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.100 13.783 -14.709 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.761 15.435 -14.740 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.235 14.659 -16.252 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.454 11.885 -15.639 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.609 12.734 -17.196 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.066 12.204 -16.323 1.00 0.00 H new ATOM 125 N GLN A 9 5.482 16.669 -17.055 1.00 0.00 N0 ATOM 126 CA GLN A 9 6.230 17.568 -17.925 1.00 0.00 C0 ATOM 127 C GLN A 9 7.626 17.028 -18.207 1.00 0.00 C0 ATOM 128 O GLN A 9 8.131 17.141 -19.323 1.00 0.00 O0 ATOM 129 CB GLN A 9 6.325 18.962 -17.299 1.00 0.00 C0 ATOM 130 CG GLN A 9 5.002 19.704 -17.227 1.00 0.00 C0 ATOM 131 CD GLN A 9 5.134 21.062 -16.563 1.00 0.00 C0 ATOM 132 OE1 GLN A 9 6.193 21.407 -16.030 1.00 0.00 O0 ATOM 133 NE2 GLN A 9 4.059 21.841 -16.592 1.00 0.00 N0 ATOM 0 H GLN A 9 5.305 17.038 -16.121 1.00 0.00 H new ATOM 0 HA GLN A 9 5.693 17.638 -18.871 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.732 18.869 -16.292 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.033 19.559 -17.874 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.606 19.832 -18.234 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.281 19.102 -16.675 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.205 21.515 -17.044 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.088 22.766 -16.163 1.00 0.00 H new ATOM 142 N ASP A 10 8.244 16.442 -17.188 1.00 0.00 N0 ATOM 143 CA ASP A 10 9.593 15.903 -17.318 1.00 0.00 C0 ATOM 144 C ASP A 10 9.629 14.733 -18.293 1.00 0.00 C0 ATOM 145 O ASP A 10 10.650 14.474 -18.929 1.00 0.00 O0 ATOM 146 CB ASP A 10 10.125 15.455 -15.954 1.00 0.00 C0 ATOM 147 CG ASP A 10 10.458 16.623 -15.034 1.00 0.00 C0 ATOM 148 OD1 ASP A 10 10.599 17.718 -15.525 1.00 0.00 O0 ATOM 149 OD2 ASP A 10 10.568 16.409 -13.852 1.00 0.00 O1- ATOM 0 H ASP A 10 7.832 16.328 -16.262 1.00 0.00 H new ATOM 0 HA ASP A 10 10.229 16.697 -17.709 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.383 14.819 -15.471 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.018 14.848 -16.100 1.00 0.00 H new ATOM 154 N LEU A 11 8.507 14.030 -18.405 1.00 0.00 N0 ATOM 155 CA LEU A 11 8.407 12.886 -19.304 1.00 0.00 C0 ATOM 156 C LEU A 11 8.665 13.295 -20.748 1.00 0.00 C0 ATOM 157 O LEU A 11 9.101 12.484 -21.565 1.00 0.00 O0 ATOM 158 CB LEU A 11 7.021 12.240 -19.188 1.00 0.00 C0 ATOM 159 CG LEU A 11 6.763 11.444 -17.903 1.00 0.00 C0 ATOM 160 CD1 LEU A 11 5.309 10.992 -17.869 1.00 0.00 C0 ATOM 161 CD2 LEU A 11 7.707 10.253 -17.844 1.00 0.00 C0 ATOM 0 H LEU A 11 7.654 14.232 -17.884 1.00 0.00 H new ATOM 0 HA LEU A 11 9.169 12.163 -19.011 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.268 13.024 -19.265 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.878 11.575 -20.040 1.00 0.00 H new ATOM 0 HG LEU A 11 6.949 12.073 -17.032 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.125 10.426 -16.956 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.656 11.864 -17.893 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.104 10.361 -18.734 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.523 9.688 -16.930 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.537 9.611 -18.708 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.738 10.606 -17.851 1.00 0.00 H new ATOM 173 N THR A 12 8.396 14.559 -21.056 1.00 0.00 N0 ATOM 174 CA THR A 12 8.424 15.034 -22.434 1.00 0.00 C0 ATOM 175 C THR A 12 9.846 15.052 -22.982 1.00 0.00 C0 ATOM 176 O THR A 12 10.061 15.261 -24.175 1.00 0.00 O0 ATOM 177 CB THR A 12 7.808 16.441 -22.549 1.00 0.00 C0 ATOM 178 OG1 THR A 12 8.587 17.370 -21.783 1.00 0.00 O0 ATOM 179 CG2 THR A 12 6.377 16.439 -22.035 1.00 0.00 C0 ATOM 0 H THR A 12 8.156 15.274 -20.369 1.00 0.00 H new ATOM 0 HA THR A 12 7.828 14.339 -23.026 1.00 0.00 H new ATOM 0 HB THR A 12 7.806 16.737 -23.598 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.695 17.031 -20.870 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.957 17.441 -22.124 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.780 15.742 -22.623 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.367 16.132 -20.989 1.00 0.00 H new ATOM 187 N ASN A 13 10.816 14.831 -22.100 1.00 0.00 N0 ATOM 188 CA ASN A 13 12.212 14.735 -22.506 1.00 0.00 C0 ATOM 189 C ASN A 13 12.518 13.369 -23.107 1.00 0.00 C0 ATOM 190 O ASN A 13 13.484 13.210 -23.853 1.00 0.00 O0 ATOM 191 CB ASN A 13 13.132 15.019 -21.332 1.00 0.00 C0 ATOM 192 CG ASN A 13 13.135 16.469 -20.939 1.00 0.00 C0 ATOM 193 OD1 ASN A 13 12.886 17.352 -21.769 1.00 0.00 O0 ATOM 194 ND2 ASN A 13 13.414 16.735 -19.688 1.00 0.00 N0 ATOM 0 H ASN A 13 10.660 14.715 -21.099 1.00 0.00 H new ATOM 0 HA ASN A 13 12.389 15.488 -23.274 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.823 14.416 -20.479 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.147 14.713 -21.588 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.432 17.702 -19.364 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.613 15.975 -19.037 1.00 0.00 H new ATOM 201 N ASN A 14 11.688 12.385 -22.780 1.00 0.00 N0 ATOM 202 CA ASN A 14 11.924 11.009 -23.202 1.00 0.00 C0 ATOM 203 C ASN A 14 10.871 10.550 -24.202 1.00 0.00 C0 ATOM 204 O ASN A 14 11.174 9.826 -25.150 1.00 0.00 O0 ATOM 205 CB ASN A 14 11.961 10.081 -22.002 1.00 0.00 C0 ATOM 206 CG ASN A 14 13.150 10.331 -21.115 1.00 0.00 C0 ATOM 207 OD1 ASN A 14 14.182 10.840 -21.568 1.00 0.00 O0 ATOM 208 ND2 ASN A 14 13.025 9.982 -19.860 1.00 0.00 N0 ATOM 0 H ASN A 14 10.844 12.515 -22.223 1.00 0.00 H new ATOM 0 HA ASN A 14 12.894 10.973 -23.698 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.047 10.206 -21.422 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.980 9.047 -22.347 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.798 10.127 -19.211 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.154 9.565 -19.531 1.00 0.00 H new ATOM 215 N ILE A 15 9.632 10.977 -23.985 1.00 0.00 N0 ATOM 216 CA ILE A 15 8.534 10.629 -24.879 1.00 0.00 C0 ATOM 217 C ILE A 15 7.831 11.875 -25.402 1.00 0.00 C0 ATOM 218 O ILE A 15 8.058 12.980 -24.908 1.00 0.00 O0 ATOM 219 CB ILE A 15 7.512 9.723 -24.168 1.00 0.00 C0 ATOM 220 CG1 ILE A 15 7.066 10.358 -22.848 1.00 0.00 C0 ATOM 221 CG2 ILE A 15 8.103 8.343 -23.925 1.00 0.00 C0 ATOM 222 CD1 ILE A 15 5.998 11.417 -23.009 1.00 0.00 C0 ATOM 0 H ILE A 15 9.363 11.565 -23.197 1.00 0.00 H new ATOM 0 HA ILE A 15 8.963 10.089 -25.723 1.00 0.00 H new ATOM 0 HB ILE A 15 6.639 9.613 -24.811 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.692 9.576 -22.188 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.933 10.801 -22.358 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.367 7.716 -23.422 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.374 7.890 -24.879 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.992 8.433 -23.300 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.735 11.820 -22.031 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.374 12.220 -23.643 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.114 10.975 -23.470 1.00 0.00 H new ATOM 234 N THR A 16 6.979 11.692 -26.405 1.00 0.00 N0 ATOM 235 CA THR A 16 6.355 12.814 -27.095 1.00 0.00 C0 ATOM 236 C THR A 16 5.101 13.279 -26.367 1.00 0.00 C0 ATOM 237 O THR A 16 4.611 12.605 -25.461 1.00 0.00 O0 ATOM 238 CB THR A 16 6.003 12.444 -28.548 1.00 0.00 C0 ATOM 239 OG1 THR A 16 5.010 11.411 -28.554 1.00 0.00 O0 ATOM 240 CG2 THR A 16 7.239 11.960 -29.290 1.00 0.00 C0 ATOM 0 H THR A 16 6.705 10.775 -26.758 1.00 0.00 H new ATOM 0 HA THR A 16 7.078 13.630 -27.104 1.00 0.00 H new ATOM 0 HB THR A 16 5.616 13.331 -29.049 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.421 10.561 -28.291 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.971 11.703 -30.315 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.991 12.749 -29.299 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.643 11.080 -28.789 1.00 0.00 H new ATOM 248 N LEU A 17 4.585 14.436 -26.767 1.00 0.00 N0 ATOM 249 CA LEU A 17 3.386 14.994 -26.154 1.00 0.00 C0 ATOM 250 C LEU A 17 2.174 14.106 -26.406 1.00 0.00 C0 ATOM 251 O LEU A 17 1.298 13.977 -25.551 1.00 0.00 O0 ATOM 252 CB LEU A 17 3.117 16.402 -26.700 1.00 0.00 C0 ATOM 253 CG LEU A 17 4.123 17.481 -26.283 1.00 0.00 C0 ATOM 254 CD1 LEU A 17 3.816 18.776 -27.021 1.00 0.00 C0 ATOM 255 CD2 LEU A 17 4.057 17.681 -24.776 1.00 0.00 C0 ATOM 0 H LEU A 17 4.980 15.007 -27.515 1.00 0.00 H new ATOM 0 HA LEU A 17 3.555 15.049 -25.079 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.097 16.352 -27.789 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.124 16.713 -26.377 1.00 0.00 H new ATOM 0 HG LEU A 17 5.134 17.169 -26.545 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.532 19.543 -26.724 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.889 18.608 -28.096 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.807 19.106 -26.773 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.772 18.448 -24.479 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.052 17.994 -24.494 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.300 16.745 -24.274 1.00 0.00 H new ATOM 267 N GLU A 18 2.130 13.493 -27.584 1.00 0.00 N0 ATOM 268 CA GLU A 18 1.086 12.529 -27.909 1.00 0.00 C0 ATOM 269 C GLU A 18 1.160 11.309 -26.999 1.00 0.00 C0 ATOM 270 O GLU A 18 0.140 10.827 -26.506 1.00 0.00 O0 ATOM 271 CB GLU A 18 1.197 12.093 -29.371 1.00 0.00 C0 ATOM 272 CG GLU A 18 0.225 10.995 -29.776 1.00 0.00 C0 ATOM 273 CD GLU A 18 -1.214 11.424 -29.685 1.00 0.00 C0 ATOM 274 OE1 GLU A 18 -1.473 12.596 -29.815 1.00 0.00 O0 ATOM 275 OE2 GLU A 18 -2.055 10.579 -29.487 1.00 0.00 O1- ATOM 0 H GLU A 18 2.807 13.647 -28.331 1.00 0.00 H new ATOM 0 HA GLU A 18 0.124 13.017 -27.753 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.032 12.961 -30.010 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.214 11.748 -29.558 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.442 10.683 -30.798 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.381 10.125 -29.138 1.00 0.00 H new ATOM 282 N ASP A 19 2.373 10.815 -26.779 1.00 0.00 N0 ATOM 283 CA ASP A 19 2.596 9.724 -25.837 1.00 0.00 C0 ATOM 284 C ASP A 19 2.136 10.103 -24.435 1.00 0.00 C0 ATOM 285 O ASP A 19 1.479 9.316 -23.753 1.00 0.00 O0 ATOM 286 CB ASP A 19 4.077 9.337 -25.806 1.00 0.00 C0 ATOM 287 CG ASP A 19 4.539 8.658 -27.088 1.00 0.00 C0 ATOM 288 OD1 ASP A 19 3.779 7.900 -27.643 1.00 0.00 O0 ATOM 289 OD2 ASP A 19 5.647 8.904 -27.501 1.00 0.00 O1- ATOM 0 H ASP A 19 3.218 11.153 -27.240 1.00 0.00 H new ATOM 0 HA ASP A 19 2.008 8.871 -26.175 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.677 10.231 -25.638 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.255 8.670 -24.963 1.00 0.00 H new ATOM 294 N LEU A 20 2.483 11.313 -24.011 1.00 0.00 N0 ATOM 295 CA LEU A 20 2.129 11.789 -22.679 1.00 0.00 C0 ATOM 296 C LEU A 20 0.618 11.798 -22.481 1.00 0.00 C0 ATOM 297 O LEU A 20 0.115 11.344 -21.453 1.00 0.00 O0 ATOM 298 CB LEU A 20 2.688 13.199 -22.454 1.00 0.00 C0 ATOM 299 CG LEU A 20 2.376 13.829 -21.090 1.00 0.00 C0 ATOM 300 CD1 LEU A 20 2.980 12.972 -19.984 1.00 0.00 C0 ATOM 301 CD2 LEU A 20 2.928 15.246 -21.046 1.00 0.00 C0 ATOM 0 H LEU A 20 3.010 11.983 -24.571 1.00 0.00 H new ATOM 0 HA LEU A 20 2.567 11.105 -21.952 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.770 13.165 -22.579 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.298 13.853 -23.234 1.00 0.00 H new ATOM 0 HG LEU A 20 1.297 13.875 -20.940 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.758 13.419 -19.015 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.554 11.970 -20.027 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.060 12.913 -20.118 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.706 15.693 -20.077 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.007 15.221 -21.195 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.467 15.841 -21.834 1.00 0.00 H new ATOM 313 N GLU A 21 -0.100 12.317 -23.470 1.00 0.00 N0 ATOM 314 CA GLU A 21 -1.553 12.415 -23.393 1.00 0.00 C0 ATOM 315 C GLU A 21 -2.195 11.036 -23.317 1.00 0.00 C0 ATOM 316 O GLU A 21 -3.208 10.849 -22.644 1.00 0.00 O0 ATOM 317 CB GLU A 21 -2.100 13.177 -24.602 1.00 0.00 C0 ATOM 318 CG GLU A 21 -1.774 14.664 -24.608 1.00 0.00 C0 ATOM 319 CD GLU A 21 -2.376 15.400 -23.444 1.00 0.00 C0 ATOM 320 OE1 GLU A 21 -3.541 15.212 -23.185 1.00 0.00 O0 ATOM 321 OE2 GLU A 21 -1.671 16.152 -22.814 1.00 0.00 O1- ATOM 0 H GLU A 21 0.301 12.677 -24.336 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.803 12.960 -22.483 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.701 12.726 -25.511 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.183 13.055 -24.634 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.692 14.794 -24.593 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.135 15.106 -25.537 1.00 0.00 H new ATOM 328 N GLN A 22 -1.599 10.072 -24.011 1.00 0.00 N0 ATOM 329 CA GLN A 22 -2.026 8.682 -23.914 1.00 0.00 C0 ATOM 330 C GLN A 22 -1.733 8.110 -22.533 1.00 0.00 C0 ATOM 331 O GLN A 22 -2.525 7.342 -21.987 1.00 0.00 O0 ATOM 332 CB GLN A 22 -1.338 7.834 -24.988 1.00 0.00 C0 ATOM 333 CG GLN A 22 -1.803 8.126 -26.404 1.00 0.00 C0 ATOM 334 CD GLN A 22 -1.063 7.298 -27.437 1.00 0.00 C0 ATOM 335 OE1 GLN A 22 -0.508 6.240 -27.126 1.00 0.00 O0 ATOM 336 NE2 GLN A 22 -1.050 7.775 -28.677 1.00 0.00 N0 ATOM 0 H GLN A 22 -0.818 10.229 -24.648 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.104 8.654 -24.074 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.262 7.997 -24.930 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.513 6.780 -24.770 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.872 7.927 -26.481 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.659 9.185 -26.620 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.522 8.654 -28.890 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.568 7.262 -29.416 1.00 0.00 H new ATOM 345 N LEU A 23 -0.590 8.489 -21.971 1.00 0.00 N0 ATOM 346 CA LEU A 23 -0.216 8.060 -20.629 1.00 0.00 C0 ATOM 347 C LEU A 23 -1.130 8.678 -19.579 1.00 0.00 C0 ATOM 348 O LEU A 23 -1.378 8.083 -18.530 1.00 0.00 O0 ATOM 349 CB LEU A 23 1.240 8.443 -20.337 1.00 0.00 C0 ATOM 350 CG LEU A 23 2.302 7.691 -21.149 1.00 0.00 C0 ATOM 351 CD1 LEU A 23 3.672 8.298 -20.879 1.00 0.00 C0 ATOM 352 CD2 LEU A 23 2.275 6.216 -20.779 1.00 0.00 C0 ATOM 0 H LEU A 23 0.094 9.094 -22.425 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.322 6.976 -20.582 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.359 9.511 -20.519 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.434 8.277 -19.277 1.00 0.00 H new ATOM 0 HG LEU A 23 2.089 7.782 -22.214 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.427 7.764 -21.456 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.669 9.348 -21.171 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.903 8.217 -19.817 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.030 5.682 -21.356 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.485 6.104 -19.715 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.291 5.803 -21.000 1.00 0.00 H new ATOM 364 N LYS A 24 -1.631 9.875 -19.868 1.00 0.00 N0 ATOM 365 CA LYS A 24 -2.606 10.526 -19.002 1.00 0.00 C0 ATOM 366 C LYS A 24 -3.899 9.724 -18.926 1.00 0.00 C0 ATOM 367 O LYS A 24 -4.467 9.542 -17.849 1.00 0.00 O0 ATOM 368 CB LYS A 24 -2.896 11.945 -19.493 1.00 0.00 C0 ATOM 369 CG LYS A 24 -1.768 12.938 -19.246 1.00 0.00 C0 ATOM 370 CD LYS A 24 -2.127 14.322 -19.764 1.00 0.00 C0 ATOM 371 CE LYS A 24 -1.008 15.320 -19.504 1.00 0.00 C0 ATOM 372 NZ LYS A 24 -1.320 16.664 -20.059 1.00 0.00 N1+ ATOM 0 H LYS A 24 -1.377 10.414 -20.696 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.179 10.578 -18.001 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.106 11.911 -20.562 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.799 12.309 -19.002 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.555 12.991 -18.178 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.859 12.588 -19.736 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.329 14.270 -20.834 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.042 14.666 -19.283 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.837 15.402 -18.431 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.083 14.951 -19.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.540 17.318 -19.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.441 16.594 -21.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.198 17.021 -19.631 1.00 0.00 H new ATOM 386 N SER A 25 -4.361 9.245 -20.077 1.00 0.00 N0 ATOM 387 CA SER A 25 -5.568 8.431 -20.139 1.00 0.00 C0 ATOM 388 C SER A 25 -5.358 7.082 -19.463 1.00 0.00 C0 ATOM 389 O SER A 25 -6.288 6.510 -18.895 1.00 0.00 O0 ATOM 390 CB SER A 25 -5.984 8.223 -21.582 1.00 0.00 C0 ATOM 391 OG SER A 25 -5.079 7.390 -22.251 1.00 0.00 O0 ATOM 0 H SER A 25 -3.916 9.407 -20.980 1.00 0.00 H new ATOM 0 HA SER A 25 -6.358 8.961 -19.607 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.981 7.784 -21.617 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.041 9.186 -22.090 1.00 0.00 H new ATOM 0 HG SER A 25 -4.177 7.766 -22.184 1.00 0.00 H new ATOM 397 N ALA A 26 -4.130 6.579 -19.527 1.00 0.00 N0 ATOM 398 CA ALA A 26 -3.753 5.381 -18.786 1.00 0.00 C0 ATOM 399 C ALA A 26 -3.812 5.623 -17.283 1.00 0.00 C0 ATOM 400 O ALA A 26 -4.274 4.769 -16.525 1.00 0.00 O0 ATOM 401 CB ALA A 26 -2.362 4.922 -19.194 1.00 0.00 C0 ATOM 0 H ALA A 26 -3.378 6.983 -20.085 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.468 4.595 -19.029 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.095 4.027 -18.632 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.351 4.698 -20.261 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.641 5.712 -18.982 1.00 0.00 H new ATOM 407 N CYS A 27 -3.341 6.790 -16.857 1.00 0.00 N0 ATOM 408 CA CYS A 27 -3.417 7.182 -15.454 1.00 0.00 C0 ATOM 409 C CYS A 27 -4.863 7.263 -14.984 1.00 0.00 C0 ATOM 410 O CYS A 27 -5.194 6.823 -13.883 1.00 0.00 O0 ATOM 411 CB CYS A 27 -2.738 8.533 -15.236 1.00 0.00 C0 ATOM 412 SG CYS A 27 -2.739 9.091 -13.516 1.00 0.00 S0 ATOM 0 H CYS A 27 -2.902 7.482 -17.464 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.900 6.419 -14.872 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.708 8.470 -15.586 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.238 9.282 -15.850 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.696 8.496 -12.867 1.00 0.00 H new ATOM 418 N LYS A 28 -5.722 7.831 -15.824 1.00 0.00 N0 ATOM 419 CA LYS A 28 -7.141 7.947 -15.507 1.00 0.00 C0 ATOM 420 C LYS A 28 -7.756 6.582 -15.221 1.00 0.00 C0 ATOM 421 O LYS A 28 -8.600 6.444 -14.337 1.00 0.00 O0 ATOM 422 CB LYS A 28 -7.891 8.632 -16.650 1.00 0.00 C0 ATOM 423 CG LYS A 28 -7.596 10.120 -16.793 1.00 0.00 C0 ATOM 424 CD LYS A 28 -8.354 10.723 -17.966 1.00 0.00 C0 ATOM 425 CE LYS A 28 -8.046 12.205 -18.122 1.00 0.00 C0 ATOM 426 NZ LYS A 28 -8.774 12.807 -19.272 1.00 0.00 N1+ ATOM 0 H LYS A 28 -5.460 8.219 -16.730 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.232 8.557 -14.608 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.638 8.132 -17.585 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.962 8.499 -16.497 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.872 10.638 -15.874 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.525 10.269 -16.934 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.089 10.196 -18.882 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.425 10.586 -17.818 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.317 12.730 -17.206 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.973 12.340 -18.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.536 13.817 -19.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.497 12.323 -20.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.799 12.702 -19.128 1.00 0.00 H new ATOM 440 N GLU A 29 -7.326 5.577 -15.976 1.00 0.00 N0 ATOM 441 CA GLU A 29 -7.779 4.208 -15.757 1.00 0.00 C0 ATOM 442 C GLU A 29 -7.126 3.603 -14.520 1.00 0.00 C0 ATOM 443 O GLU A 29 -7.795 2.981 -13.695 1.00 0.00 O0 ATOM 444 CB GLU A 29 -7.471 3.342 -16.981 1.00 0.00 C0 ATOM 445 CG GLU A 29 -7.776 1.863 -16.797 1.00 0.00 C0 ATOM 446 CD GLU A 29 -9.234 1.590 -16.555 1.00 0.00 C0 ATOM 447 OE1 GLU A 29 -10.048 2.330 -17.056 1.00 0.00 O0 ATOM 448 OE2 GLU A 29 -9.536 0.643 -15.869 1.00 0.00 O1- ATOM 0 H GLU A 29 -6.664 5.684 -16.745 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.857 4.236 -15.599 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.044 3.716 -17.829 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.417 3.454 -17.235 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.452 1.318 -17.684 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.196 1.480 -15.958 1.00 0.00 H new ATOM 455 N ASP A 30 -5.816 3.791 -14.396 1.00 0.00 N0 ATOM 456 CA ASP A 30 -5.041 3.121 -13.359 1.00 0.00 C0 ATOM 457 C ASP A 30 -5.355 3.692 -11.981 1.00 0.00 C0 ATOM 458 O ASP A 30 -5.579 2.949 -11.027 1.00 0.00 O0 ATOM 459 CB ASP A 30 -3.542 3.250 -13.641 1.00 0.00 C0 ATOM 460 CG ASP A 30 -3.086 2.398 -14.817 1.00 0.00 C0 ATOM 461 OD1 ASP A 30 -3.813 1.514 -15.203 1.00 0.00 O0 ATOM 462 OD2 ASP A 30 -2.014 2.639 -15.318 1.00 0.00 O1- ATOM 0 H ASP A 30 -5.269 4.403 -15.002 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.318 2.067 -13.369 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.304 4.295 -13.841 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.984 2.961 -12.751 1.00 0.00 H new ATOM 467 N ILE A 31 -5.371 5.018 -11.886 1.00 0.00 N0 ATOM 468 CA ILE A 31 -5.602 5.691 -10.614 1.00 0.00 C0 ATOM 469 C ILE A 31 -6.984 6.329 -10.570 1.00 0.00 C0 ATOM 470 O ILE A 31 -7.289 7.225 -11.357 1.00 0.00 O0 ATOM 471 CB ILE A 31 -4.530 6.767 -10.360 1.00 0.00 C0 ATOM 472 CG1 ILE A 31 -3.137 6.133 -10.313 1.00 0.00 C0 ATOM 473 CG2 ILE A 31 -4.822 7.514 -9.068 1.00 0.00 C0 ATOM 474 CD1 ILE A 31 -2.010 7.139 -10.262 1.00 0.00 C0 ATOM 0 H ILE A 31 -5.227 5.647 -12.676 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.541 4.935 -9.831 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.555 7.482 -11.183 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.072 5.485 -9.439 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.007 5.500 -11.190 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.055 8.271 -8.904 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.797 7.996 -9.139 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.824 6.812 -8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.055 6.614 -10.231 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.047 7.772 -11.148 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.114 7.757 -9.370 1.00 0.00 H new ATOM 486 N PRO A 32 -7.817 5.863 -9.646 1.00 0.00 N0 ATOM 487 CA PRO A 32 -9.146 6.431 -9.457 1.00 0.00 C0 ATOM 488 C PRO A 32 -9.075 7.935 -9.228 1.00 0.00 C0 ATOM 489 O PRO A 32 -8.160 8.430 -8.570 1.00 0.00 O0 ATOM 490 CB PRO A 32 -9.662 5.694 -8.216 1.00 0.00 C0 ATOM 491 CG PRO A 32 -8.937 4.392 -8.236 1.00 0.00 C0 ATOM 492 CD PRO A 32 -7.556 4.740 -8.725 1.00 0.00 C0 ATOM 0 HA PRO A 32 -9.795 6.309 -10.324 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.451 6.253 -7.304 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.742 5.549 -8.259 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.905 3.940 -7.245 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.424 3.676 -8.898 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.897 5.031 -7.907 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.082 3.900 -9.233 1.00 0.00 H new ATOM 500 N SER A 33 -10.047 8.658 -9.774 1.00 0.00 N0 ATOM 501 CA SER A 33 -10.064 10.113 -9.683 1.00 0.00 C0 ATOM 502 C SER A 33 -10.128 10.573 -8.232 1.00 0.00 C0 ATOM 503 O SER A 33 -9.624 11.641 -7.886 1.00 0.00 O0 ATOM 504 CB SER A 33 -11.244 10.672 -10.454 1.00 0.00 C0 ATOM 505 OG SER A 33 -12.454 10.305 -9.851 1.00 0.00 O0 ATOM 0 H SER A 33 -10.834 8.259 -10.285 1.00 0.00 H new ATOM 0 HA SER A 33 -9.138 10.488 -10.120 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.171 11.759 -10.501 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.219 10.306 -11.481 1.00 0.00 H new ATOM 0 HG SER A 33 -13.201 10.678 -10.364 1.00 0.00 H new ATOM 511 N GLU A 34 -10.753 9.760 -7.386 1.00 0.00 N0 ATOM 512 CA GLU A 34 -10.806 10.037 -5.956 1.00 0.00 C0 ATOM 513 C GLU A 34 -9.421 9.954 -5.327 1.00 0.00 C0 ATOM 514 O GLU A 34 -9.078 10.750 -4.452 1.00 0.00 O0 ATOM 515 CB GLU A 34 -11.754 9.058 -5.258 1.00 0.00 C0 ATOM 516 CG GLU A 34 -13.223 9.252 -5.602 1.00 0.00 C0 ATOM 517 CD GLU A 34 -14.115 8.230 -4.954 1.00 0.00 C0 ATOM 518 OE1 GLU A 34 -13.603 7.288 -4.399 1.00 0.00 O0 ATOM 519 OE2 GLU A 34 -15.312 8.391 -5.016 1.00 0.00 O1- ATOM 0 H GLU A 34 -11.230 8.903 -7.667 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.181 11.052 -5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.463 8.041 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.630 9.157 -4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.535 10.249 -5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.347 9.202 -6.684 1.00 0.00 H new ATOM 526 N LYS A 35 -8.630 8.987 -5.776 1.00 0.00 N0 ATOM 527 CA LYS A 35 -7.281 8.796 -5.255 1.00 0.00 C0 ATOM 528 C LYS A 35 -6.288 9.726 -5.940 1.00 0.00 C0 ATOM 529 O LYS A 35 -5.237 10.045 -5.385 1.00 0.00 O0 ATOM 530 CB LYS A 35 -6.842 7.341 -5.424 1.00 0.00 C0 ATOM 531 CG LYS A 35 -7.676 6.336 -4.639 1.00 0.00 C0 ATOM 532 CD LYS A 35 -7.669 6.655 -3.151 1.00 0.00 C0 ATOM 533 CE LYS A 35 -8.617 5.746 -2.385 1.00 0.00 C0 ATOM 534 NZ LYS A 35 -8.697 6.112 -0.945 1.00 0.00 N1+ ATOM 0 H LYS A 35 -8.900 8.322 -6.501 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.297 9.039 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.884 7.082 -6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.801 7.250 -5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.701 6.342 -5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.285 5.331 -4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.658 6.543 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.957 7.695 -2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.611 5.802 -2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.283 4.713 -2.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.552 5.692 -0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.857 5.753 -0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.739 7.147 -0.852 1.00 0.00 H new ATOM 548 N SER A 36 -6.628 10.158 -7.150 1.00 0.00 N0 ATOM 549 CA SER A 36 -5.848 11.172 -7.848 1.00 0.00 C0 ATOM 550 C SER A 36 -5.801 12.473 -7.058 1.00 0.00 C0 ATOM 551 O SER A 36 -4.754 13.110 -6.954 1.00 0.00 O0 ATOM 552 CB SER A 36 -6.435 11.427 -9.224 1.00 0.00 C0 ATOM 553 OG SER A 36 -5.698 12.401 -9.910 1.00 0.00 O0 ATOM 0 H SER A 36 -7.440 9.821 -7.668 1.00 0.00 H new ATOM 0 HA SER A 36 -4.829 10.799 -7.952 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.443 10.500 -9.798 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.471 11.751 -9.127 1.00 0.00 H new ATOM 0 HG SER A 36 -6.094 12.548 -10.795 1.00 0.00 H new ATOM 559 N GLU A 37 -6.943 12.863 -6.500 1.00 0.00 N0 ATOM 560 CA GLU A 37 -7.024 14.064 -5.678 1.00 0.00 C0 ATOM 561 C GLU A 37 -6.542 13.793 -4.259 1.00 0.00 C0 ATOM 562 O GLU A 37 -5.784 14.578 -3.691 1.00 0.00 O0 ATOM 563 CB GLU A 37 -8.460 14.594 -5.648 1.00 0.00 C0 ATOM 564 CG GLU A 37 -8.953 15.149 -6.976 1.00 0.00 C0 ATOM 565 CD GLU A 37 -10.356 15.685 -6.901 1.00 0.00 C0 ATOM 566 OE1 GLU A 37 -10.979 15.524 -5.879 1.00 0.00 O0 ATOM 567 OE2 GLU A 37 -10.804 16.256 -7.867 1.00 0.00 O1- ATOM 0 H GLU A 37 -7.826 12.363 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.374 14.817 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.125 13.789 -5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.530 15.377 -4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.283 15.944 -7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.909 14.364 -7.731 1.00 0.00 H new ATOM 574 N GLU A 38 -6.986 12.677 -3.692 1.00 0.00 N0 ATOM 575 CA GLU A 38 -6.661 12.337 -2.311 1.00 0.00 C0 ATOM 576 C GLU A 38 -5.164 12.111 -2.139 1.00 0.00 C0 ATOM 577 O GLU A 38 -4.534 12.701 -1.261 1.00 0.00 O0 ATOM 578 CB GLU A 38 -7.429 11.088 -1.874 1.00 0.00 C0 ATOM 579 CG GLU A 38 -7.163 10.657 -0.439 1.00 0.00 C0 ATOM 580 CD GLU A 38 -7.925 9.422 -0.049 1.00 0.00 C0 ATOM 581 OE1 GLU A 38 -8.715 8.960 -0.836 1.00 0.00 O0 ATOM 582 OE2 GLU A 38 -7.716 8.938 1.039 1.00 0.00 O1- ATOM 0 H GLU A 38 -7.573 11.991 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.957 13.177 -1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.497 11.272 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.171 10.266 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.096 10.475 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.430 11.471 0.235 1.00 0.00 H new ATOM 589 N ILE A 39 -4.599 11.253 -2.981 1.00 0.00 N0 ATOM 590 CA ILE A 39 -3.205 10.851 -2.846 1.00 0.00 C0 ATOM 591 C ILE A 39 -2.301 11.687 -3.743 1.00 0.00 C0 ATOM 592 O ILE A 39 -2.590 11.882 -4.923 1.00 0.00 O0 ATOM 593 CB ILE A 39 -3.027 9.359 -3.184 1.00 0.00 C0 ATOM 594 CG1 ILE A 39 -3.903 8.497 -2.274 1.00 0.00 C0 ATOM 595 CG2 ILE A 39 -1.566 8.956 -3.060 1.00 0.00 C0 ATOM 596 CD1 ILE A 39 -3.611 8.670 -0.801 1.00 0.00 C0 ATOM 0 H ILE A 39 -5.087 10.822 -3.766 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.919 11.017 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.341 9.198 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.950 8.739 -2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.767 7.449 -2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.458 7.899 -3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.965 9.549 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.226 9.131 -2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.272 8.026 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.574 8.399 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.776 9.709 -0.517 1.00 0.00 H new ATOM 608 N THR A 40 -1.205 12.180 -3.175 1.00 0.00 N0 ATOM 609 CA THR A 40 -0.243 12.976 -3.929 1.00 0.00 C0 ATOM 610 C THR A 40 1.131 12.320 -3.934 1.00 0.00 C0 ATOM 611 O THR A 40 2.100 12.891 -4.433 1.00 0.00 O0 ATOM 612 CB THR A 40 -0.135 14.401 -3.357 1.00 0.00 C0 ATOM 613 OG1 THR A 40 0.294 14.339 -1.990 1.00 0.00 O0 ATOM 614 CG2 THR A 40 -1.478 15.110 -3.430 1.00 0.00 C0 ATOM 0 H THR A 40 -0.961 12.042 -2.194 1.00 0.00 H new ATOM 0 HA THR A 40 -0.606 13.035 -4.955 1.00 0.00 H new ATOM 0 HB THR A 40 0.591 14.959 -3.949 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.364 15.247 -1.628 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.381 16.116 -3.021 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.802 15.170 -4.469 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.215 14.553 -2.852 1.00 0.00 H new ATOM 622 N THR A 41 1.209 11.116 -3.375 1.00 0.00 N0 ATOM 623 CA THR A 41 2.473 10.396 -3.281 1.00 0.00 C0 ATOM 624 C THR A 41 2.429 9.100 -4.079 1.00 0.00 C0 ATOM 625 O THR A 41 1.394 8.436 -4.147 1.00 0.00 O0 ATOM 626 CB THR A 41 2.827 10.090 -1.814 1.00 0.00 C0 ATOM 627 OG1 THR A 41 4.048 9.340 -1.761 1.00 0.00 O0 ATOM 628 CG2 THR A 41 1.716 9.289 -1.153 1.00 0.00 C0 ATOM 0 H THR A 41 0.411 10.619 -2.980 1.00 0.00 H new ATOM 0 HA THR A 41 3.245 11.040 -3.703 1.00 0.00 H new ATOM 0 HB THR A 41 2.948 11.033 -1.281 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.273 9.147 -0.827 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.984 9.082 -0.117 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.789 9.861 -1.181 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.578 8.349 -1.687 1.00 0.00 H new ATOM 636 N GLY A 42 3.558 8.743 -4.680 1.00 0.00 N0 ATOM 637 CA GLY A 42 3.642 7.542 -5.503 1.00 0.00 C0 ATOM 638 C GLY A 42 3.596 6.283 -4.647 1.00 0.00 C0 ATOM 639 O GLY A 42 3.290 5.197 -5.138 1.00 0.00 O0 ATOM 0 H GLY A 42 4.429 9.269 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.819 7.529 -6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.566 7.558 -6.081 1.00 0.00 H new ATOM 643 N SER A 43 3.902 6.435 -3.362 1.00 0.00 N0 ATOM 644 CA SER A 43 3.906 5.310 -2.436 1.00 0.00 C0 ATOM 645 C SER A 43 2.506 4.734 -2.264 1.00 0.00 C0 ATOM 646 O SER A 43 2.263 3.566 -2.570 1.00 0.00 O0 ATOM 647 CB SER A 43 4.454 5.743 -1.091 1.00 0.00 C0 ATOM 648 OG SER A 43 4.440 4.679 -0.178 1.00 0.00 O0 ATOM 0 H SER A 43 4.151 7.329 -2.939 1.00 0.00 H new ATOM 0 HA SER A 43 4.546 4.533 -2.853 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.473 6.111 -1.211 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.860 6.570 -0.701 1.00 0.00 H new ATOM 0 HG SER A 43 4.800 4.981 0.682 1.00 0.00 H new ATOM 654 N ALA A 44 1.589 5.559 -1.773 1.00 0.00 N0 ATOM 655 CA ALA A 44 0.206 5.139 -1.579 1.00 0.00 C0 ATOM 656 C ALA A 44 -0.459 4.798 -2.906 1.00 0.00 C0 ATOM 657 O ALA A 44 -1.230 3.843 -2.997 1.00 0.00 O0 ATOM 658 CB ALA A 44 -0.581 6.224 -0.856 1.00 0.00 C0 ATOM 0 H ALA A 44 1.778 6.524 -1.502 1.00 0.00 H new ATOM 0 HA ALA A 44 0.212 4.239 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.611 5.896 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.128 6.415 0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.568 7.139 -1.448 1.00 0.00 H new ATOM 664 N TRP A 45 -0.156 5.584 -3.933 1.00 0.00 N0 ATOM 665 CA TRP A 45 -0.655 5.316 -5.276 1.00 0.00 C0 ATOM 666 C TRP A 45 -0.338 3.891 -5.708 1.00 0.00 C0 ATOM 667 O TRP A 45 -1.222 3.153 -6.144 1.00 0.00 O0 ATOM 668 CB TRP A 45 -0.049 6.303 -6.277 1.00 0.00 C0 ATOM 669 CG TRP A 45 -0.901 7.513 -6.515 1.00 0.00 C0 ATOM 670 CD1 TRP A 45 -2.242 7.621 -6.301 1.00 0.00 C0 ATOM 671 CD2 TRP A 45 -0.470 8.802 -7.015 1.00 0.00 C0 ATOM 672 NE1 TRP A 45 -2.674 8.881 -6.634 1.00 0.00 N0 ATOM 673 CE2 TRP A 45 -1.603 9.618 -7.071 1.00 0.00 C0 ATOM 674 CE3 TRP A 45 0.769 9.321 -7.414 1.00 0.00 C0 ATOM 675 CZ2 TRP A 45 -1.541 10.930 -7.512 1.00 0.00 C0 ATOM 676 CZ3 TRP A 45 0.830 10.637 -7.854 1.00 0.00 C0 ATOM 677 CH2 TRP A 45 -0.295 11.421 -7.901 1.00 0.00 C0 ATOM 0 H TRP A 45 0.434 6.413 -3.861 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.738 5.439 -5.257 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.928 6.622 -5.914 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.115 5.792 -7.226 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.874 6.830 -5.924 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.636 9.215 -6.567 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.659 8.710 -7.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -2.425 11.549 -7.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.779 11.050 -8.164 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.214 12.441 -8.247 1.00 0.00 H new ATOM 688 N PHE A 46 0.928 3.508 -5.584 1.00 0.00 N0 ATOM 689 CA PHE A 46 1.370 2.179 -5.990 1.00 0.00 C0 ATOM 690 C PHE A 46 0.644 1.094 -5.206 1.00 0.00 C0 ATOM 691 O PHE A 46 0.253 0.068 -5.763 1.00 0.00 O0 ATOM 692 CB PHE A 46 2.880 2.035 -5.792 1.00 0.00 C0 ATOM 693 CG PHE A 46 3.457 0.796 -6.416 1.00 0.00 C0 ATOM 694 CD1 PHE A 46 3.778 0.767 -7.765 1.00 0.00 C0 ATOM 695 CD2 PHE A 46 3.680 -0.342 -5.656 1.00 0.00 C0 ATOM 696 CE1 PHE A 46 4.309 -0.372 -8.340 1.00 0.00 C0 ATOM 697 CE2 PHE A 46 4.212 -1.482 -6.228 1.00 0.00 C0 ATOM 698 CZ PHE A 46 4.527 -1.496 -7.572 1.00 0.00 C0 ATOM 0 H PHE A 46 1.667 4.100 -5.205 1.00 0.00 H new ATOM 0 HA PHE A 46 1.133 2.059 -7.047 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.377 2.908 -6.214 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.098 2.028 -4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.611 1.644 -8.373 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.435 -0.337 -4.604 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.553 -0.382 -9.392 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.381 -2.361 -5.624 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.943 -2.386 -8.021 1.00 0.00 H new ATOM 708 N SER A 47 0.465 1.326 -3.910 1.00 0.00 N0 ATOM 709 CA SER A 47 -0.279 0.403 -3.062 1.00 0.00 C0 ATOM 710 C SER A 47 -1.694 0.193 -3.585 1.00 0.00 C0 ATOM 711 O SER A 47 -2.188 -0.933 -3.632 1.00 0.00 O0 ATOM 712 CB SER A 47 -0.329 0.926 -1.639 1.00 0.00 C0 ATOM 713 OG SER A 47 -1.047 0.055 -0.809 1.00 0.00 O0 ATOM 0 H SER A 47 0.826 2.147 -3.424 1.00 0.00 H new ATOM 0 HA SER A 47 0.237 -0.557 -3.077 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.684 1.046 -1.256 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.794 1.912 -1.626 1.00 0.00 H new ATOM 0 HG SER A 47 -1.064 0.412 0.103 1.00 0.00 H new ATOM 719 N PHE A 48 -2.342 1.284 -3.978 1.00 0.00 N0 ATOM 720 CA PHE A 48 -3.698 1.220 -4.511 1.00 0.00 C0 ATOM 721 C PHE A 48 -3.719 0.568 -5.888 1.00 0.00 C0 ATOM 722 O PHE A 48 -4.654 -0.157 -6.226 1.00 0.00 O0 ATOM 723 CB PHE A 48 -4.305 2.622 -4.597 1.00 0.00 C0 ATOM 724 CG PHE A 48 -4.735 3.178 -3.268 1.00 0.00 C0 ATOM 725 CD1 PHE A 48 -4.180 4.351 -2.779 1.00 0.00 C0 ATOM 726 CD2 PHE A 48 -5.695 2.530 -2.506 1.00 0.00 C0 ATOM 727 CE1 PHE A 48 -4.575 4.863 -1.557 1.00 0.00 C0 ATOM 728 CE2 PHE A 48 -6.092 3.040 -1.286 1.00 0.00 C0 ATOM 729 CZ PHE A 48 -5.531 4.209 -0.811 1.00 0.00 C0 ATOM 0 H PHE A 48 -1.950 2.225 -3.937 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.293 0.611 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.575 3.297 -5.044 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.166 2.595 -5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.431 4.870 -3.359 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.138 1.615 -2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.134 5.777 -1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.841 2.525 -0.703 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.841 4.610 0.143 1.00 0.00 H new ATOM 739 N LEU A 49 -2.683 0.830 -6.677 1.00 0.00 N0 ATOM 740 CA LEU A 49 -2.562 0.237 -8.002 1.00 0.00 C0 ATOM 741 C LEU A 49 -2.470 -1.281 -7.921 1.00 0.00 C0 ATOM 742 O LEU A 49 -3.064 -1.994 -8.730 1.00 0.00 O0 ATOM 743 CB LEU A 49 -1.325 0.792 -8.720 1.00 0.00 C0 ATOM 744 CG LEU A 49 -1.418 2.254 -9.174 1.00 0.00 C0 ATOM 745 CD1 LEU A 49 -0.068 2.708 -9.710 1.00 0.00 C0 ATOM 746 CD2 LEU A 49 -2.502 2.388 -10.234 1.00 0.00 C0 ATOM 0 H LEU A 49 -1.915 1.450 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.457 0.497 -8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.467 0.691 -8.056 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.126 0.172 -9.594 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.682 2.890 -8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.135 3.747 -10.032 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.683 2.619 -8.925 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.216 2.083 -10.557 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.569 3.427 -10.557 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.255 1.757 -11.088 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.459 2.076 -9.817 1.00 0.00 H new ATOM 758 N GLU A 50 -1.721 -1.771 -6.937 1.00 0.00 N0 ATOM 759 CA GLU A 50 -1.669 -3.200 -6.655 1.00 0.00 C0 ATOM 760 C GLU A 50 -3.013 -3.713 -6.154 1.00 0.00 C0 ATOM 761 O GLU A 50 -3.492 -4.758 -6.594 1.00 0.00 O0 ATOM 762 CB GLU A 50 -0.581 -3.500 -5.620 1.00 0.00 C0 ATOM 763 CG GLU A 50 -0.380 -4.980 -5.330 1.00 0.00 C0 ATOM 764 CD GLU A 50 0.787 -5.245 -4.420 1.00 0.00 C0 ATOM 765 OE1 GLU A 50 1.258 -4.318 -3.804 1.00 0.00 O0 ATOM 766 OE2 GLU A 50 1.208 -6.375 -4.340 1.00 0.00 O1- ATOM 0 H GLU A 50 -1.142 -1.199 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.431 -3.714 -7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.362 -3.079 -5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.832 -2.991 -4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.286 -5.383 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.230 -5.512 -6.269 1.00 0.00 H new ATOM 773 N SER A 51 -3.617 -2.972 -5.232 1.00 0.00 N0 ATOM 774 CA SER A 51 -4.896 -3.362 -4.651 1.00 0.00 C0 ATOM 775 C SER A 51 -5.973 -3.480 -5.721 1.00 0.00 C0 ATOM 776 O SER A 51 -6.828 -4.365 -5.662 1.00 0.00 O0 ATOM 777 CB SER A 51 -5.322 -2.357 -3.600 1.00 0.00 C0 ATOM 778 OG SER A 51 -4.434 -2.356 -2.516 1.00 0.00 O0 ATOM 0 H SER A 51 -3.240 -2.096 -4.870 1.00 0.00 H new ATOM 0 HA SER A 51 -4.769 -4.339 -4.184 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.365 -1.361 -4.041 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.327 -2.594 -3.251 1.00 0.00 H new ATOM 0 HG SER A 51 -3.609 -1.893 -2.770 1.00 0.00 H new ATOM 784 N HIS A 52 -5.929 -2.582 -6.699 1.00 0.00 N0 ATOM 785 CA HIS A 52 -6.947 -2.534 -7.743 1.00 0.00 C0 ATOM 786 C HIS A 52 -6.514 -3.321 -8.972 1.00 0.00 C0 ATOM 787 O HIS A 52 -7.182 -3.294 -10.006 1.00 0.00 O0 ATOM 788 CB HIS A 52 -7.250 -1.084 -8.138 1.00 0.00 C0 ATOM 789 CG HIS A 52 -7.889 -0.284 -7.046 1.00 0.00 C0 ATOM 790 ND1 HIS A 52 -9.116 -0.608 -6.507 1.00 0.00 N0 ATOM 791 CD2 HIS A 52 -7.470 0.826 -6.393 1.00 0.00 C0 ATOM 792 CE1 HIS A 52 -9.425 0.270 -5.568 1.00 0.00 C0 ATOM 793 NE2 HIS A 52 -8.444 1.149 -5.480 1.00 0.00 N0 ATOM 0 H HIS A 52 -5.198 -1.876 -6.791 1.00 0.00 H new ATOM 0 HA HIS A 52 -7.851 -2.990 -7.340 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.322 -0.597 -8.438 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.906 -1.083 -9.008 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.544 1.357 -6.559 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.327 0.268 -4.974 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.414 1.941 -4.837 1.00 0.00 H new ATOM 801 N ASN A 53 -5.392 -4.024 -8.852 1.00 0.00 N0 ATOM 802 CA ASN A 53 -4.901 -4.871 -9.933 1.00 0.00 C0 ATOM 803 C ASN A 53 -4.749 -4.082 -11.227 1.00 0.00 C0 ATOM 804 O ASN A 53 -5.121 -4.555 -12.301 1.00 0.00 O0 ATOM 805 CB ASN A 53 -5.820 -6.062 -10.138 1.00 0.00 C0 ATOM 806 CG ASN A 53 -5.859 -6.975 -8.945 1.00 0.00 C0 ATOM 807 OD1 ASN A 53 -4.821 -7.275 -8.343 1.00 0.00 O0 ATOM 808 ND2 ASN A 53 -7.037 -7.423 -8.590 1.00 0.00 N0 ATOM 0 H ASN A 53 -4.806 -4.024 -8.017 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.915 -5.239 -9.648 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.828 -5.706 -10.351 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.490 -6.625 -11.011 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.125 -8.046 -7.787 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.867 -7.149 -9.116 1.00 0.00 H new ATOM 815 N LYS A 54 -4.202 -2.876 -11.118 1.00 0.00 N0 ATOM 816 CA LYS A 54 -3.974 -2.030 -12.283 1.00 0.00 C0 ATOM 817 C LYS A 54 -2.532 -2.131 -12.763 1.00 0.00 C0 ATOM 818 O LYS A 54 -2.186 -1.623 -13.830 1.00 0.00 O0 ATOM 819 CB LYS A 54 -4.321 -0.574 -11.963 1.00 0.00 C0 ATOM 820 CG LYS A 54 -5.778 -0.344 -11.584 1.00 0.00 C0 ATOM 821 CD LYS A 54 -6.707 -0.645 -12.750 1.00 0.00 C0 ATOM 822 CE LYS A 54 -8.157 -0.346 -12.396 1.00 0.00 C0 ATOM 823 NZ LYS A 54 -9.086 -0.713 -13.499 1.00 0.00 N1+ ATOM 0 H LYS A 54 -3.908 -2.462 -10.233 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.625 -2.382 -13.083 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.687 -0.233 -11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.082 0.043 -12.829 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.039 -0.976 -10.736 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.914 0.689 -11.265 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.412 -0.051 -13.615 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.609 -1.693 -13.034 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.431 -0.894 -11.494 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.264 0.715 -12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.057 -0.770 -13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.041 0.009 -14.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.810 -1.635 -13.893 1.00 0.00 H new ATOM 837 N LEU A 55 -1.694 -2.789 -11.971 1.00 0.00 N0 ATOM 838 CA LEU A 55 -0.293 -2.979 -12.326 1.00 0.00 C0 ATOM 839 C LEU A 55 -0.117 -4.169 -13.259 1.00 0.00 C0 ATOM 840 O LEU A 55 0.405 -5.211 -12.861 1.00 0.00 O0 ATOM 841 CB LEU A 55 0.551 -3.183 -11.061 1.00 0.00 C0 ATOM 842 CG LEU A 55 0.578 -2.004 -10.081 1.00 0.00 C0 ATOM 843 CD1 LEU A 55 1.341 -2.403 -8.825 1.00 0.00 C0 ATOM 844 CD2 LEU A 55 1.221 -0.799 -10.751 1.00 0.00 C0 ATOM 0 H LEU A 55 -1.961 -3.201 -11.077 1.00 0.00 H new ATOM 0 HA LEU A 55 0.045 -2.083 -12.846 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.176 -4.061 -10.534 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.575 -3.405 -11.362 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.439 -1.736 -9.795 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.360 -1.564 -8.129 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.848 -3.254 -8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.362 -2.677 -9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.240 0.038 -10.053 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.240 -1.048 -11.046 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.644 -0.523 -11.634 1.00 0.00 H new ATOM 856 N ASP A 56 -0.554 -4.009 -14.503 1.00 0.00 N0 ATOM 857 CA ASP A 56 -0.386 -5.045 -15.515 1.00 0.00 C0 ATOM 858 C ASP A 56 -0.235 -4.440 -16.904 1.00 0.00 C0 ATOM 859 O ASP A 56 -0.088 -3.227 -17.051 1.00 0.00 O0 ATOM 860 CB ASP A 56 -1.575 -6.009 -15.498 1.00 0.00 C0 ATOM 861 CG ASP A 56 -2.897 -5.325 -15.817 1.00 0.00 C0 ATOM 862 OD1 ASP A 56 -2.869 -4.241 -16.349 1.00 0.00 O0 ATOM 863 OD2 ASP A 56 -3.923 -5.893 -15.524 1.00 0.00 O1- ATOM 0 H ASP A 56 -1.028 -3.169 -14.835 1.00 0.00 H new ATOM 0 HA ASP A 56 0.525 -5.594 -15.277 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.400 -6.806 -16.221 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.642 -6.478 -14.516 1.00 0.00 H new ATOM 868 N LYS A 57 -0.272 -5.292 -17.923 1.00 0.00 N0 ATOM 869 CA LYS A 57 -0.185 -4.838 -19.305 1.00 0.00 C0 ATOM 870 C LYS A 57 0.992 -3.892 -19.503 1.00 0.00 C0 ATOM 871 O LYS A 57 0.893 -2.907 -20.234 1.00 0.00 O0 ATOM 872 CB LYS A 57 -1.487 -4.153 -19.726 1.00 0.00 C0 ATOM 873 CG LYS A 57 -2.714 -5.056 -19.689 1.00 0.00 C0 ATOM 874 CD LYS A 57 -3.958 -4.317 -20.159 1.00 0.00 C0 ATOM 875 CE LYS A 57 -5.191 -5.204 -20.082 1.00 0.00 C0 ATOM 876 NZ LYS A 57 -6.422 -4.485 -20.510 1.00 0.00 N1+ ATOM 0 H LYS A 57 -0.362 -6.302 -17.817 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.026 -5.714 -19.934 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.661 -3.298 -19.073 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.368 -3.764 -20.737 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.546 -5.928 -20.321 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.868 -5.423 -18.674 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.108 -3.428 -19.547 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.816 -3.977 -21.185 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.046 -6.082 -20.712 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.317 -5.562 -19.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.239 -5.125 -20.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.575 -3.662 -19.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.313 -4.165 -21.494 1.00 0.00 H new ATOM 890 N ASP A 58 2.106 -4.197 -18.846 1.00 0.00 N0 ATOM 891 CA ASP A 58 3.315 -3.394 -18.975 1.00 0.00 C0 ATOM 892 C ASP A 58 3.067 -1.953 -18.550 1.00 0.00 C0 ATOM 893 O ASP A 58 3.624 -1.020 -19.129 1.00 0.00 O0 ATOM 894 CB ASP A 58 3.829 -3.426 -20.417 1.00 0.00 C0 ATOM 895 CG ASP A 58 4.230 -4.822 -20.873 1.00 0.00 C0 ATOM 896 OD1 ASP A 58 4.700 -5.579 -20.056 1.00 0.00 O0 ATOM 897 OD2 ASP A 58 4.063 -5.118 -22.031 1.00 0.00 O1- ATOM 0 H ASP A 58 2.196 -4.996 -18.218 1.00 0.00 H new ATOM 0 HA ASP A 58 4.069 -3.824 -18.316 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.056 -3.041 -21.081 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.687 -2.760 -20.506 1.00 0.00 H new ATOM 902 N ASN A 59 2.230 -1.776 -17.534 1.00 0.00 N0 ATOM 903 CA ASN A 59 2.037 -0.469 -16.918 1.00 0.00 C0 ATOM 904 C ASN A 59 3.165 -0.147 -15.945 1.00 0.00 C0 ATOM 905 O ASN A 59 3.356 1.007 -15.562 1.00 0.00 O0 ATOM 906 CB ASN A 59 0.693 -0.402 -16.217 1.00 0.00 C0 ATOM 907 CG ASN A 59 -0.458 -0.305 -17.182 1.00 0.00 C0 ATOM 908 OD1 ASN A 59 -0.286 0.117 -18.331 1.00 0.00 O0 ATOM 909 ND2 ASN A 59 -1.626 -0.689 -16.737 1.00 0.00 N0 ATOM 0 H ASN A 59 1.673 -2.523 -17.119 1.00 0.00 H new ATOM 0 HA ASN A 59 2.052 0.280 -17.710 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.567 -1.288 -15.595 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.677 0.460 -15.551 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.443 -0.647 -17.346 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.720 -1.031 -15.781 1.00 0.00 H new ATOM 916 N LEU A 60 3.908 -1.174 -15.548 1.00 0.00 N0 ATOM 917 CA LEU A 60 5.053 -0.995 -14.663 1.00 0.00 C0 ATOM 918 C LEU A 60 6.148 -0.178 -15.337 1.00 0.00 C0 ATOM 919 O LEU A 60 6.932 0.497 -14.671 1.00 0.00 O0 ATOM 920 CB LEU A 60 5.611 -2.357 -14.236 1.00 0.00 C0 ATOM 921 CG LEU A 60 4.713 -3.183 -13.306 1.00 0.00 C0 ATOM 922 CD1 LEU A 60 5.331 -4.558 -13.092 1.00 0.00 C0 ATOM 923 CD2 LEU A 60 4.539 -2.450 -11.984 1.00 0.00 C0 ATOM 0 H LEU A 60 3.738 -2.141 -15.826 1.00 0.00 H new ATOM 0 HA LEU A 60 4.713 -0.452 -13.782 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.812 -2.944 -15.132 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.568 -2.197 -13.739 1.00 0.00 H new ATOM 0 HG LEU A 60 3.730 -3.314 -13.758 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.693 -5.145 -12.431 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.426 -5.067 -14.051 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.317 -4.448 -12.640 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.901 -3.037 -11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.513 -2.308 -11.516 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.078 -1.479 -12.164 1.00 0.00 H new ATOM 935 N SER A 61 6.196 -0.244 -16.663 1.00 0.00 N0 ATOM 936 CA SER A 61 7.124 0.571 -17.438 1.00 0.00 C0 ATOM 937 C SER A 61 6.912 2.055 -17.166 1.00 0.00 C0 ATOM 938 O SER A 61 7.863 2.789 -16.900 1.00 0.00 O0 ATOM 939 CB SER A 61 6.956 0.291 -18.918 1.00 0.00 C0 ATOM 940 OG SER A 61 7.825 1.082 -19.681 1.00 0.00 O0 ATOM 0 H SER A 61 5.602 -0.855 -17.224 1.00 0.00 H new ATOM 0 HA SER A 61 8.137 0.308 -17.134 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.149 -0.763 -19.116 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.926 0.487 -19.214 1.00 0.00 H new ATOM 0 HG SER A 61 7.699 0.882 -20.632 1.00 0.00 H new ATOM 946 N TYR A 62 5.658 2.490 -17.234 1.00 0.00 N0 ATOM 947 CA TYR A 62 5.308 3.871 -16.918 1.00 0.00 C0 ATOM 948 C TYR A 62 5.609 4.195 -15.459 1.00 0.00 C0 ATOM 949 O TYR A 62 6.257 5.197 -15.157 1.00 0.00 O0 ATOM 950 CB TYR A 62 3.833 4.132 -17.226 1.00 0.00 C0 ATOM 951 CG TYR A 62 3.349 5.496 -16.784 1.00 0.00 C0 ATOM 952 CD1 TYR A 62 3.752 6.631 -17.472 1.00 0.00 C0 ATOM 953 CD2 TYR A 62 2.502 5.611 -15.691 1.00 0.00 C0 ATOM 954 CE1 TYR A 62 3.310 7.876 -17.067 1.00 0.00 C0 ATOM 955 CE2 TYR A 62 2.061 6.855 -15.287 1.00 0.00 C0 ATOM 956 CZ TYR A 62 2.462 7.986 -15.971 1.00 0.00 C0 ATOM 957 OH TYR A 62 2.023 9.225 -15.569 1.00 0.00 O0 ATOM 0 H TYR A 62 4.867 1.906 -17.505 1.00 0.00 H new ATOM 0 HA TYR A 62 5.919 4.523 -17.542 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.672 4.030 -18.299 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.229 3.367 -16.739 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.411 6.542 -18.323 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.188 4.727 -15.156 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.623 8.761 -17.601 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.402 6.944 -14.436 1.00 0.00 H new ATOM 0 HH TYR A 62 1.437 9.127 -14.789 1.00 0.00 H new ATOM 967 N ILE A 63 5.133 3.341 -14.559 1.00 0.00 N0 ATOM 968 CA ILE A 63 5.276 3.580 -13.127 1.00 0.00 C0 ATOM 969 C ILE A 63 6.743 3.666 -12.727 1.00 0.00 C0 ATOM 970 O ILE A 63 7.136 4.543 -11.957 1.00 0.00 O0 ATOM 971 CB ILE A 63 4.586 2.470 -12.315 1.00 0.00 C0 ATOM 972 CG1 ILE A 63 3.072 2.502 -12.544 1.00 0.00 C0 ATOM 973 CG2 ILE A 63 4.906 2.616 -10.834 1.00 0.00 C0 ATOM 974 CD1 ILE A 63 2.419 3.800 -12.127 1.00 0.00 C0 ATOM 0 H ILE A 63 4.645 2.477 -14.796 1.00 0.00 H new ATOM 0 HA ILE A 63 4.796 4.534 -12.907 1.00 0.00 H new ATOM 0 HB ILE A 63 4.965 1.506 -12.655 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.870 2.328 -13.601 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.613 1.682 -11.992 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.410 1.823 -10.275 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.984 2.545 -10.686 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.554 3.585 -10.479 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.347 3.747 -12.320 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.589 3.967 -11.063 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.849 4.623 -12.697 1.00 0.00 H new ATOM 986 N GLU A 64 7.549 2.751 -13.253 1.00 0.00 N0 ATOM 987 CA GLU A 64 8.986 2.762 -13.006 1.00 0.00 C0 ATOM 988 C GLU A 64 9.640 3.998 -13.611 1.00 0.00 C0 ATOM 989 O GLU A 64 10.519 4.609 -13.003 1.00 0.00 O0 ATOM 990 CB GLU A 64 9.636 1.500 -13.575 1.00 0.00 C0 ATOM 991 CG GLU A 64 11.115 1.349 -13.246 1.00 0.00 C0 ATOM 992 CD GLU A 64 11.681 0.029 -13.686 1.00 0.00 C0 ATOM 993 OE1 GLU A 64 10.946 -0.760 -14.230 1.00 0.00 O0 ATOM 994 OE2 GLU A 64 12.851 -0.193 -13.477 1.00 0.00 O1- ATOM 0 H GLU A 64 7.231 1.991 -13.854 1.00 0.00 H new ATOM 0 HA GLU A 64 9.137 2.787 -11.927 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.102 0.629 -13.196 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.516 1.501 -14.658 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.672 2.155 -13.724 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.256 1.458 -12.171 1.00 0.00 H new ATOM 1001 N HIS A 65 9.205 4.363 -14.813 1.00 0.00 N0 ATOM 1002 CA HIS A 65 9.775 5.503 -15.520 1.00 0.00 C0 ATOM 1003 C HIS A 65 9.613 6.787 -14.716 1.00 0.00 C0 ATOM 1004 O HIS A 65 10.565 7.547 -14.542 1.00 0.00 O0 ATOM 1005 CB HIS A 65 9.121 5.669 -16.896 1.00 0.00 C0 ATOM 1006 CG HIS A 65 9.727 6.762 -17.722 1.00 0.00 C0 ATOM 1007 ND1 HIS A 65 9.230 7.121 -18.957 1.00 0.00 N0 ATOM 1008 CD2 HIS A 65 10.786 7.571 -17.490 1.00 0.00 C0 ATOM 1009 CE1 HIS A 65 9.958 8.108 -19.449 1.00 0.00 C0 ATOM 1010 NE2 HIS A 65 10.909 8.398 -18.580 1.00 0.00 N0 ATOM 0 H HIS A 65 8.459 3.885 -15.318 1.00 0.00 H new ATOM 0 HA HIS A 65 10.839 5.308 -15.652 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.198 4.728 -17.441 1.00 0.00 H new ATOM 0 HB3 HIS A 65 8.059 5.873 -16.762 1.00 0.00 H new ATOM 0 HD1 HIS A 65 8.427 6.692 -19.418 1.00 0.00 H new ATOM 0 HD2 HIS A 65 11.416 7.567 -16.613 1.00 0.00 H new ATOM 0 HE1 HIS A 65 9.802 8.595 -20.400 1.00 0.00 H new ATOM 1018 N ILE A 66 8.400 7.024 -14.229 1.00 0.00 N0 ATOM 1019 CA ILE A 66 8.091 8.251 -13.504 1.00 0.00 C0 ATOM 1020 C ILE A 66 8.741 8.255 -12.126 1.00 0.00 C0 ATOM 1021 O ILE A 66 8.999 9.314 -11.554 1.00 0.00 O0 ATOM 1022 CB ILE A 66 6.569 8.433 -13.355 1.00 0.00 C0 ATOM 1023 CG1 ILE A 66 5.973 7.292 -12.527 1.00 0.00 C0 ATOM 1024 CG2 ILE A 66 5.906 8.507 -14.722 1.00 0.00 C0 ATOM 1025 CD1 ILE A 66 4.515 7.485 -12.181 1.00 0.00 C0 ATOM 0 H ILE A 66 7.613 6.381 -14.323 1.00 0.00 H new ATOM 0 HA ILE A 66 8.494 9.081 -14.085 1.00 0.00 H new ATOM 0 HB ILE A 66 6.381 9.371 -12.832 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.085 6.359 -13.079 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.545 7.188 -11.605 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.831 8.636 -14.598 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.311 9.353 -15.278 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.100 7.586 -15.271 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.165 6.636 -11.594 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.397 8.400 -11.601 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.930 7.558 -13.098 1.00 0.00 H new ATOM 1037 N PHE A 67 9.004 7.065 -11.598 1.00 0.00 N0 ATOM 1038 CA PHE A 67 9.725 6.927 -10.338 1.00 0.00 C0 ATOM 1039 C PHE A 67 11.219 7.153 -10.531 1.00 0.00 C0 ATOM 1040 O PHE A 67 11.895 7.686 -9.652 1.00 0.00 O0 ATOM 1041 CB PHE A 67 9.487 5.542 -9.734 1.00 0.00 C0 ATOM 1042 CG PHE A 67 8.113 5.362 -9.153 1.00 0.00 C0 ATOM 1043 CD1 PHE A 67 7.256 6.444 -9.014 1.00 0.00 C0 ATOM 1044 CD2 PHE A 67 7.676 4.111 -8.745 1.00 0.00 C0 ATOM 1045 CE1 PHE A 67 5.992 6.278 -8.480 1.00 0.00 C0 ATOM 1046 CE2 PHE A 67 6.412 3.943 -8.212 1.00 0.00 C0 ATOM 1047 CZ PHE A 67 5.570 5.028 -8.079 1.00 0.00 C0 ATOM 0 H PHE A 67 8.728 6.180 -12.024 1.00 0.00 H new ATOM 0 HA PHE A 67 9.346 7.687 -9.655 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.647 4.788 -10.504 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.227 5.364 -8.954 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.580 7.426 -9.326 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.331 3.258 -8.845 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.334 7.128 -8.377 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.083 2.963 -7.900 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.582 4.898 -7.662 1.00 0.00 H new ATOM 1057 N GLU A 68 11.729 6.743 -11.688 1.00 0.00 N0 ATOM 1058 CA GLU A 68 13.134 6.946 -12.020 1.00 0.00 C0 ATOM 1059 C GLU A 68 13.467 8.429 -12.122 1.00 0.00 C0 ATOM 1060 O GLU A 68 14.416 8.906 -11.499 1.00 0.00 O0 ATOM 1061 CB GLU A 68 13.478 6.245 -13.336 1.00 0.00 C0 ATOM 1062 CG GLU A 68 14.934 6.378 -13.757 1.00 0.00 C0 ATOM 1063 CD GLU A 68 15.236 5.671 -15.050 1.00 0.00 C0 ATOM 1064 OE1 GLU A 68 14.338 5.090 -15.611 1.00 0.00 O0 ATOM 1065 OE2 GLU A 68 16.366 5.713 -15.476 1.00 0.00 O1- ATOM 0 H GLU A 68 11.189 6.268 -12.412 1.00 0.00 H new ATOM 0 HA GLU A 68 13.731 6.514 -11.217 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.234 5.187 -13.244 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.846 6.651 -14.126 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.182 7.434 -13.860 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.573 5.975 -12.971 1.00 0.00 H new ATOM 1072 N ILE A 69 12.681 9.154 -12.910 1.00 0.00 N0 ATOM 1073 CA ILE A 69 12.939 10.569 -13.157 1.00 0.00 C0 ATOM 1074 C ILE A 69 12.610 11.410 -11.931 1.00 0.00 C0 ATOM 1075 O ILE A 69 13.043 12.558 -11.821 1.00 0.00 O0 ATOM 1076 CB ILE A 69 12.122 11.072 -14.362 1.00 0.00 C0 ATOM 1077 CG1 ILE A 69 10.623 10.970 -14.071 1.00 0.00 C0 ATOM 1078 CG2 ILE A 69 12.481 10.287 -15.613 1.00 0.00 C0 ATOM 1079 CD1 ILE A 69 9.752 11.642 -15.108 1.00 0.00 C0 ATOM 0 H ILE A 69 11.859 8.786 -13.389 1.00 0.00 H new ATOM 0 HA ILE A 69 14.001 10.673 -13.378 1.00 0.00 H new ATOM 0 HB ILE A 69 12.367 12.120 -14.534 1.00 0.00 H new ATOM 0 HG12 ILE A 69 10.346 9.918 -14.005 1.00 0.00 H new ATOM 0 HG13 ILE A 69 10.421 11.415 -13.097 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.894 10.656 -16.455 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.542 10.411 -15.828 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.264 9.231 -15.454 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.704 11.527 -14.832 1.00 0.00 H new ATOM 0 HD12 ILE A 69 10.000 12.702 -15.159 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.924 11.182 -16.081 1.00 0.00 H new ATOM 1091 N SER A 70 11.843 10.835 -11.012 1.00 0.00 N0 ATOM 1092 CA SER A 70 11.540 11.492 -9.746 1.00 0.00 C0 ATOM 1093 C SER A 70 12.690 11.340 -8.759 1.00 0.00 C0 ATOM 1094 O SER A 70 12.724 12.008 -7.725 1.00 0.00 O0 ATOM 1095 CB SER A 70 10.270 10.917 -9.151 1.00 0.00 C0 ATOM 1096 OG SER A 70 10.473 9.604 -8.705 1.00 0.00 O0 ATOM 0 H SER A 70 11.419 9.914 -11.120 1.00 0.00 H new ATOM 0 HA SER A 70 11.397 12.554 -9.943 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.939 11.540 -8.320 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.475 10.933 -9.897 1.00 0.00 H new ATOM 0 HG SER A 70 11.241 9.215 -9.173 1.00 0.00 H new ATOM 1102 N ARG A 71 13.628 10.457 -9.081 1.00 0.00 N0 ATOM 1103 CA ARG A 71 14.768 10.198 -8.210 1.00 0.00 C0 ATOM 1104 C ARG A 71 14.315 9.694 -6.846 1.00 0.00 C0 ATOM 1105 O ARG A 71 14.732 10.215 -5.811 1.00 0.00 O0 ATOM 1106 CB ARG A 71 15.603 11.458 -8.030 1.00 0.00 C0 ATOM 1107 CG ARG A 71 16.195 12.020 -9.312 1.00 0.00 C0 ATOM 1108 CD ARG A 71 17.056 13.202 -9.047 1.00 0.00 C0 ATOM 1109 NE ARG A 71 17.627 13.742 -10.270 1.00 0.00 N0 ATOM 1110 CZ ARG A 71 18.395 14.847 -10.333 1.00 0.00 C0 ATOM 1111 NH1 ARG A 71 18.673 15.518 -9.237 1.00 0.00 N1+ ATOM 1112 NH2 ARG A 71 18.868 15.258 -11.497 1.00 0.00 N0 ATOM 0 H ARG A 71 13.621 9.908 -9.940 1.00 0.00 H new ATOM 0 HA ARG A 71 15.375 9.427 -8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 71 14.982 12.225 -7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 71 16.415 11.242 -7.336 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.780 11.248 -9.812 1.00 0.00 H new ATOM 0 HG3 ARG A 71 15.391 12.301 -9.992 1.00 0.00 H new ATOM 0 HD2 ARG A 71 16.470 13.974 -8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 71 17.858 12.921 -8.365 1.00 0.00 H new ATOM 0 HE ARG A 71 17.432 13.250 -11.142 1.00 0.00 H new ATOM 0 HH11 ARG A 71 18.307 15.202 -8.339 1.00 0.00 H new ATOM 0 HH12 ARG A 71 19.255 16.355 -9.285 1.00 0.00 H new ATOM 0 HH21 ARG A 71 18.651 14.738 -12.348 1.00 0.00 H new ATOM 0 HH22 ARG A 71 19.449 16.095 -11.544 1.00 0.00 H new ATOM 1126 N ARG A 72 13.459 8.678 -6.851 1.00 0.00 N0 ATOM 1127 CA ARG A 72 13.005 8.053 -5.615 1.00 0.00 C0 ATOM 1128 C ARG A 72 13.235 6.546 -5.642 1.00 0.00 C0 ATOM 1129 O ARG A 72 12.341 5.779 -6.001 1.00 0.00 O0 ATOM 1130 CB ARG A 72 11.528 8.334 -5.383 1.00 0.00 C0 ATOM 1131 CG ARG A 72 11.193 9.785 -5.081 1.00 0.00 C0 ATOM 1132 CD ARG A 72 9.742 9.972 -4.824 1.00 0.00 C0 ATOM 1133 NE ARG A 72 9.418 11.358 -4.531 1.00 0.00 N0 ATOM 1134 CZ ARG A 72 9.544 11.934 -3.320 1.00 0.00 C0 ATOM 1135 NH1 ARG A 72 9.988 11.232 -2.301 1.00 0.00 N1+ ATOM 1136 NH2 ARG A 72 9.221 13.206 -3.155 1.00 0.00 N0 ATOM 0 H ARG A 72 13.065 8.270 -7.699 1.00 0.00 H new ATOM 0 HA ARG A 72 13.587 8.482 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.971 8.024 -6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.181 7.716 -4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.762 10.117 -4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.498 10.411 -5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.174 9.642 -5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.437 9.343 -3.987 1.00 0.00 H new ATOM 0 HE ARG A 72 9.071 11.936 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.237 10.251 -2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.083 11.668 -1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.876 13.751 -3.945 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.317 13.642 -2.238 1.00 0.00 H new ATOM 1150 N PRO A 73 14.437 6.129 -5.261 1.00 0.00 N0 ATOM 1151 CA PRO A 73 14.787 4.713 -5.244 1.00 0.00 C0 ATOM 1152 C PRO A 73 13.812 3.914 -4.389 1.00 0.00 C0 ATOM 1153 O PRO A 73 13.555 2.741 -4.655 1.00 0.00 O0 ATOM 1154 CB PRO A 73 16.197 4.714 -4.644 1.00 0.00 C0 ATOM 1155 CG PRO A 73 16.751 6.047 -5.012 1.00 0.00 C0 ATOM 1156 CD PRO A 73 15.580 6.986 -4.889 1.00 0.00 C0 ATOM 0 HA PRO A 73 14.745 4.246 -6.228 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.170 4.579 -3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 73 16.803 3.905 -5.051 1.00 0.00 H new ATOM 0 HG2 PRO A 73 17.564 6.337 -4.347 1.00 0.00 H new ATOM 0 HG3 PRO A 73 17.153 6.044 -6.025 1.00 0.00 H new ATOM 0 HD2 PRO A 73 15.480 7.378 -3.877 1.00 0.00 H new ATOM 0 HD3 PRO A 73 15.677 7.844 -5.555 1.00 0.00 H new ATOM 1164 N ASP A 74 13.271 4.558 -3.361 1.00 0.00 N0 ATOM 1165 CA ASP A 74 12.317 3.911 -2.467 1.00 0.00 C0 ATOM 1166 C ASP A 74 11.106 3.396 -3.234 1.00 0.00 C0 ATOM 1167 O ASP A 74 10.606 2.304 -2.962 1.00 0.00 O0 ATOM 1168 CB ASP A 74 11.863 4.881 -1.374 1.00 0.00 C0 ATOM 1169 CG ASP A 74 12.950 5.169 -0.348 1.00 0.00 C0 ATOM 1170 OD1 ASP A 74 13.910 4.436 -0.307 1.00 0.00 O0 ATOM 1171 OD2 ASP A 74 12.809 6.117 0.387 1.00 0.00 O1- ATOM 0 H ASP A 74 13.477 5.529 -3.126 1.00 0.00 H new ATOM 0 HA ASP A 74 12.820 3.062 -2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.548 5.817 -1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.992 4.466 -0.866 1.00 0.00 H new ATOM 1176 N LEU A 75 10.638 4.188 -4.193 1.00 0.00 N0 ATOM 1177 CA LEU A 75 9.464 3.830 -4.978 1.00 0.00 C0 ATOM 1178 C LEU A 75 9.825 2.864 -6.099 1.00 0.00 C0 ATOM 1179 O LEU A 75 9.019 2.020 -6.488 1.00 0.00 O0 ATOM 1180 CB LEU A 75 8.816 5.088 -5.569 1.00 0.00 C0 ATOM 1181 CG LEU A 75 8.259 6.090 -4.549 1.00 0.00 C0 ATOM 1182 CD1 LEU A 75 7.618 7.259 -5.284 1.00 0.00 C0 ATOM 1183 CD2 LEU A 75 7.249 5.391 -3.650 1.00 0.00 C0 ATOM 0 H LEU A 75 11.055 5.084 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 75 8.755 3.337 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.554 5.599 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.005 4.781 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 75 9.066 6.475 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.222 7.971 -4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.365 7.752 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.807 6.892 -5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.853 6.103 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.433 4.999 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.737 4.571 -3.124 1.00 0.00 H new ATOM 1195 N LEU A 76 11.043 2.993 -6.615 1.00 0.00 N0 ATOM 1196 CA LEU A 76 11.574 2.033 -7.576 1.00 0.00 C0 ATOM 1197 C LEU A 76 11.703 0.648 -6.956 1.00 0.00 C0 ATOM 1198 O LEU A 76 11.460 -0.363 -7.616 1.00 0.00 O0 ATOM 1199 CB LEU A 76 12.941 2.499 -8.091 1.00 0.00 C0 ATOM 1200 CG LEU A 76 12.923 3.730 -9.006 1.00 0.00 C0 ATOM 1201 CD1 LEU A 76 14.351 4.192 -9.265 1.00 0.00 C0 ATOM 1202 CD2 LEU A 76 12.216 3.384 -10.308 1.00 0.00 C0 ATOM 0 H LEU A 76 11.682 3.754 -6.383 1.00 0.00 H new ATOM 0 HA LEU A 76 10.875 1.973 -8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.577 2.716 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.405 1.674 -8.631 1.00 0.00 H new ATOM 0 HG LEU A 76 12.380 4.544 -8.525 1.00 0.00 H new ATOM 0 HD11 LEU A 76 14.338 5.067 -9.915 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.827 4.450 -8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.911 3.390 -9.746 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.203 4.259 -10.958 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.745 2.570 -10.804 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.193 3.075 -10.095 1.00 0.00 H new ATOM 1214 N THR A 77 12.087 0.607 -5.685 1.00 0.00 N0 ATOM 1215 CA THR A 77 12.163 -0.649 -4.948 1.00 0.00 C0 ATOM 1216 C THR A 77 10.799 -1.319 -4.858 1.00 0.00 C0 ATOM 1217 O THR A 77 10.681 -2.534 -5.016 1.00 0.00 O0 ATOM 1218 CB THR A 77 12.725 -0.426 -3.531 1.00 0.00 C0 ATOM 1219 OG1 THR A 77 14.054 0.105 -3.619 1.00 0.00 O0 ATOM 1220 CG2 THR A 77 12.756 -1.735 -2.758 1.00 0.00 C0 ATOM 0 H THR A 77 12.351 1.430 -5.143 1.00 0.00 H new ATOM 0 HA THR A 77 12.839 -1.305 -5.497 1.00 0.00 H new ATOM 0 HB THR A 77 12.079 0.278 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.018 1.020 -3.969 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.156 -1.558 -1.759 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.745 -2.135 -2.679 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.389 -2.451 -3.281 1.00 0.00 H new ATOM 1228 N MET A 78 9.769 -0.519 -4.603 1.00 0.00 N0 ATOM 1229 CA MET A 78 8.404 -1.028 -4.530 1.00 0.00 C0 ATOM 1230 C MET A 78 7.990 -1.687 -5.840 1.00 0.00 C0 ATOM 1231 O MET A 78 7.333 -2.726 -5.842 1.00 0.00 O0 ATOM 1232 CB MET A 78 7.438 0.101 -4.173 1.00 0.00 C0 ATOM 1233 CG MET A 78 7.586 0.630 -2.753 1.00 0.00 C0 ATOM 1234 SD MET A 78 6.550 2.073 -2.438 1.00 0.00 S0 ATOM 1235 CE MET A 78 4.924 1.322 -2.417 1.00 0.00 C0 ATOM 0 H MET A 78 9.854 0.485 -4.443 1.00 0.00 H new ATOM 0 HA MET A 78 8.367 -1.786 -3.748 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.586 0.924 -4.872 1.00 0.00 H new ATOM 0 HB3 MET A 78 6.417 -0.254 -4.311 1.00 0.00 H new ATOM 0 HG2 MET A 78 7.328 -0.159 -2.047 1.00 0.00 H new ATOM 0 HG3 MET A 78 8.629 0.890 -2.573 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.193 2.047 -2.059 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.657 1.004 -3.425 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.931 0.457 -1.754 1.00 0.00 H new ATOM 1245 N VAL A 79 8.381 -1.075 -6.953 1.00 0.00 N0 ATOM 1246 CA VAL A 79 8.131 -1.648 -8.270 1.00 0.00 C0 ATOM 1247 C VAL A 79 8.826 -2.996 -8.424 1.00 0.00 C0 ATOM 1248 O VAL A 79 8.234 -3.957 -8.913 1.00 0.00 O0 ATOM 1249 CB VAL A 79 8.624 -0.691 -9.372 1.00 0.00 C0 ATOM 1250 CG1 VAL A 79 8.570 -1.371 -10.731 1.00 0.00 C0 ATOM 1251 CG2 VAL A 79 7.785 0.578 -9.369 1.00 0.00 C0 ATOM 0 H VAL A 79 8.873 -0.181 -6.969 1.00 0.00 H new ATOM 0 HA VAL A 79 7.056 -1.796 -8.369 1.00 0.00 H new ATOM 0 HB VAL A 79 9.661 -0.423 -9.170 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.922 -0.681 -11.498 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.206 -2.256 -10.720 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.543 -1.664 -10.950 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.139 1.250 -10.151 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.741 0.324 -9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.873 1.070 -8.400 1.00 0.00 H new ATOM 1261 N VAL A 80 10.085 -3.058 -8.004 1.00 0.00 N0 ATOM 1262 CA VAL A 80 10.857 -4.293 -8.079 1.00 0.00 C0 ATOM 1263 C VAL A 80 10.254 -5.374 -7.193 1.00 0.00 C0 ATOM 1264 O VAL A 80 10.178 -6.539 -7.583 1.00 0.00 O0 ATOM 1265 CB VAL A 80 12.315 -4.038 -7.653 1.00 0.00 C0 ATOM 1266 CG1 VAL A 80 13.067 -5.353 -7.513 1.00 0.00 C0 ATOM 1267 CG2 VAL A 80 12.999 -3.130 -8.664 1.00 0.00 C0 ATOM 0 H VAL A 80 10.593 -2.267 -7.608 1.00 0.00 H new ATOM 0 HA VAL A 80 10.833 -4.636 -9.113 1.00 0.00 H new ATOM 0 HB VAL A 80 12.318 -3.543 -6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.095 -5.154 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.581 -5.972 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.064 -5.877 -8.469 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.030 -2.954 -8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.989 -3.605 -9.645 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.469 -2.179 -8.716 1.00 0.00 H new ATOM 1277 N ASP A 81 9.823 -4.982 -5.998 1.00 0.00 N0 ATOM 1278 CA ASP A 81 9.202 -5.913 -5.064 1.00 0.00 C0 ATOM 1279 C ASP A 81 7.953 -6.544 -5.664 1.00 0.00 C0 ATOM 1280 O ASP A 81 7.758 -7.758 -5.582 1.00 0.00 O0 ATOM 1281 CB ASP A 81 8.845 -5.201 -3.757 1.00 0.00 C0 ATOM 1282 CG ASP A 81 10.065 -4.876 -2.906 1.00 0.00 C0 ATOM 1283 OD1 ASP A 81 11.103 -5.443 -3.151 1.00 0.00 O0 ATOM 1284 OD2 ASP A 81 9.947 -4.063 -2.021 1.00 0.00 O1- ATOM 0 H ASP A 81 9.893 -4.024 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 81 9.922 -6.704 -4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.312 -4.278 -3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.164 -5.828 -3.182 1.00 0.00 H new ATOM 1289 N TYR A 82 7.108 -5.715 -6.266 1.00 0.00 N0 ATOM 1290 CA TYR A 82 5.916 -6.200 -6.953 1.00 0.00 C0 ATOM 1291 C TYR A 82 6.283 -7.127 -8.105 1.00 0.00 C0 ATOM 1292 O TYR A 82 5.731 -8.219 -8.235 1.00 0.00 O0 ATOM 1293 CB TYR A 82 5.077 -5.027 -7.463 1.00 0.00 C0 ATOM 1294 CG TYR A 82 3.876 -5.445 -8.281 1.00 0.00 C0 ATOM 1295 CD1 TYR A 82 2.734 -5.914 -7.648 1.00 0.00 C0 ATOM 1296 CD2 TYR A 82 3.916 -5.360 -9.665 1.00 0.00 C0 ATOM 1297 CE1 TYR A 82 1.637 -6.295 -8.395 1.00 0.00 C0 ATOM 1298 CE2 TYR A 82 2.818 -5.743 -10.412 1.00 0.00 C0 ATOM 1299 CZ TYR A 82 1.683 -6.209 -9.783 1.00 0.00 C0 ATOM 1300 OH TYR A 82 0.591 -6.590 -10.526 1.00 0.00 O0 ATOM 0 H TYR A 82 7.226 -4.702 -6.292 1.00 0.00 H new ATOM 0 HA TYR A 82 5.325 -6.769 -6.236 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.737 -4.438 -6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.709 -4.377 -8.068 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.703 -5.981 -6.571 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.805 -4.995 -10.158 1.00 0.00 H new ATOM 0 HE1 TYR A 82 0.747 -6.658 -7.904 1.00 0.00 H new ATOM 0 HE2 TYR A 82 2.849 -5.677 -11.490 1.00 0.00 H new ATOM 0 HH TYR A 82 0.676 -6.238 -11.437 1.00 0.00 H new ATOM 1310 N ARG A 83 7.219 -6.685 -8.938 1.00 0.00 N0 ATOM 1311 CA ARG A 83 7.698 -7.495 -10.051 1.00 0.00 C0 ATOM 1312 C ARG A 83 8.169 -8.863 -9.575 1.00 0.00 C0 ATOM 1313 O ARG A 83 7.883 -9.882 -10.203 1.00 0.00 O0 ATOM 1314 CB ARG A 83 8.839 -6.791 -10.773 1.00 0.00 C0 ATOM 1315 CG ARG A 83 9.379 -7.531 -11.987 1.00 0.00 C0 ATOM 1316 CD ARG A 83 10.444 -6.755 -12.672 1.00 0.00 C0 ATOM 1317 NE ARG A 83 9.930 -5.529 -13.262 1.00 0.00 N0 ATOM 1318 CZ ARG A 83 10.657 -4.415 -13.470 1.00 0.00 C0 ATOM 1319 NH1 ARG A 83 11.928 -4.388 -13.132 1.00 0.00 N1+ ATOM 1320 NH2 ARG A 83 10.096 -3.349 -14.013 1.00 0.00 N0 ATOM 0 H ARG A 83 7.661 -5.769 -8.863 1.00 0.00 H new ATOM 0 HA ARG A 83 6.864 -7.632 -10.739 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.497 -5.805 -11.088 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.655 -6.635 -10.068 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.775 -8.498 -11.678 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.565 -7.728 -12.685 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.231 -6.512 -11.959 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.897 -7.370 -13.450 1.00 0.00 H new ATOM 0 HE ARG A 83 8.948 -5.512 -13.538 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.362 -5.210 -12.713 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.480 -3.545 -13.289 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.111 -3.369 -14.275 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.648 -2.506 -14.170 1.00 0.00 H new ATOM 1334 N THR A 84 8.893 -8.878 -8.461 1.00 0.00 N0 ATOM 1335 CA THR A 84 9.360 -10.126 -7.869 1.00 0.00 C0 ATOM 1336 C THR A 84 8.191 -11.021 -7.476 1.00 0.00 C0 ATOM 1337 O THR A 84 8.216 -12.229 -7.712 1.00 0.00 O0 ATOM 1338 CB THR A 84 10.244 -9.858 -6.636 1.00 0.00 C0 ATOM 1339 OG1 THR A 84 11.397 -9.104 -7.027 1.00 0.00 O0 ATOM 1340 CG2 THR A 84 10.688 -11.168 -6.003 1.00 0.00 C0 ATOM 0 H THR A 84 9.169 -8.040 -7.950 1.00 0.00 H new ATOM 0 HA THR A 84 9.955 -10.639 -8.625 1.00 0.00 H new ATOM 0 HB THR A 84 9.663 -9.293 -5.907 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.128 -8.189 -7.252 1.00 0.00 H new ATOM 0 HG21 THR A 84 11.311 -10.959 -5.134 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.812 -11.738 -5.693 1.00 0.00 H new ATOM 0 HG23 THR A 84 11.259 -11.747 -6.728 1.00 0.00 H new ATOM 1348 N ARG A 85 7.170 -10.420 -6.876 1.00 0.00 N0 ATOM 1349 CA ARG A 85 5.963 -11.151 -6.505 1.00 0.00 C0 ATOM 1350 C ARG A 85 5.299 -11.775 -7.725 1.00 0.00 C0 ATOM 1351 O ARG A 85 4.843 -12.918 -7.680 1.00 0.00 O0 ATOM 1352 CB ARG A 85 4.972 -10.229 -5.808 1.00 0.00 C0 ATOM 1353 CG ARG A 85 5.383 -9.787 -4.413 1.00 0.00 C0 ATOM 1354 CD ARG A 85 4.428 -8.800 -3.847 1.00 0.00 C0 ATOM 1355 NE ARG A 85 4.827 -8.358 -2.520 1.00 0.00 N0 ATOM 1356 CZ ARG A 85 4.237 -7.359 -1.837 1.00 0.00 C0 ATOM 1357 NH1 ARG A 85 3.227 -6.706 -2.367 1.00 0.00 N1+ ATOM 1358 NH2 ARG A 85 4.675 -7.032 -0.633 1.00 0.00 N0 ATOM 0 H ARG A 85 7.153 -9.429 -6.636 1.00 0.00 H new ATOM 0 HA ARG A 85 6.260 -11.947 -5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.825 -9.343 -6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.009 -10.736 -5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.440 -10.656 -3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.381 -9.349 -4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.360 -7.939 -4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.434 -9.244 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 85 5.609 -8.839 -2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.890 -6.956 -3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.781 -5.949 -1.849 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.460 -7.537 -0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.228 -6.275 -0.116 1.00 0.00 H new ATOM 1372 N VAL A 86 5.249 -11.019 -8.817 1.00 0.00 N0 ATOM 1373 CA VAL A 86 4.689 -11.516 -10.068 1.00 0.00 C0 ATOM 1374 C VAL A 86 5.499 -12.688 -10.607 1.00 0.00 C0 ATOM 1375 O VAL A 86 4.939 -13.668 -11.098 1.00 0.00 O0 ATOM 1376 CB VAL A 86 4.653 -10.392 -11.121 1.00 0.00 C0 ATOM 1377 CG1 VAL A 86 4.274 -10.953 -12.484 1.00 0.00 C0 ATOM 1378 CG2 VAL A 86 3.675 -9.311 -10.690 1.00 0.00 C0 ATOM 0 H VAL A 86 5.590 -10.059 -8.860 1.00 0.00 H new ATOM 0 HA VAL A 86 3.674 -11.858 -9.864 1.00 0.00 H new ATOM 0 HB VAL A 86 5.646 -9.950 -11.203 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.253 -10.146 -13.217 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.008 -11.699 -12.787 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.289 -11.416 -12.426 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.654 -8.519 -11.439 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.679 -9.741 -10.589 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.990 -8.896 -9.732 1.00 0.00 H new ATOM 1388 N LEU A 87 6.819 -12.581 -10.512 1.00 0.00 N0 ATOM 1389 CA LEU A 87 7.709 -13.650 -10.950 1.00 0.00 C0 ATOM 1390 C LEU A 87 7.505 -14.911 -10.120 1.00 0.00 C0 ATOM 1391 O LEU A 87 7.603 -16.027 -10.632 1.00 0.00 O0 ATOM 1392 CB LEU A 87 9.171 -13.198 -10.852 1.00 0.00 C0 ATOM 1393 CG LEU A 87 9.600 -12.114 -11.850 1.00 0.00 C0 ATOM 1394 CD1 LEU A 87 11.002 -11.632 -11.505 1.00 0.00 C0 ATOM 1395 CD2 LEU A 87 9.547 -12.674 -13.263 1.00 0.00 C0 ATOM 0 H LEU A 87 7.298 -11.763 -10.135 1.00 0.00 H new ATOM 0 HA LEU A 87 7.470 -13.879 -11.989 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.351 -12.828 -9.842 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.812 -14.069 -10.992 1.00 0.00 H new ATOM 0 HG LEU A 87 8.920 -11.264 -11.792 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.307 -10.862 -12.214 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.007 -11.219 -10.496 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.698 -12.469 -11.557 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.852 -11.904 -13.971 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.221 -13.527 -13.342 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.530 -12.994 -13.490 1.00 0.00 H new ATOM 1407 N LYS A 88 7.219 -14.728 -8.835 1.00 0.00 N0 ATOM 1408 CA LYS A 88 6.907 -15.845 -7.953 1.00 0.00 C0 ATOM 1409 C LYS A 88 5.579 -16.490 -8.328 1.00 0.00 C0 ATOM 1410 O LYS A 88 5.426 -17.709 -8.251 1.00 0.00 O0 ATOM 1411 CB LYS A 88 6.873 -15.383 -6.495 1.00 0.00 C0 ATOM 1412 CG LYS A 88 8.239 -15.051 -5.909 1.00 0.00 C0 ATOM 1413 CD LYS A 88 8.123 -14.587 -4.465 1.00 0.00 C0 ATOM 1414 CE LYS A 88 9.491 -14.316 -3.857 1.00 0.00 C0 ATOM 1415 NZ LYS A 88 9.393 -13.846 -2.448 1.00 0.00 N1+ ATOM 0 H LYS A 88 7.197 -13.815 -8.381 1.00 0.00 H new ATOM 0 HA LYS A 88 7.693 -16.591 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.235 -14.502 -6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.411 -16.163 -5.890 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.882 -15.929 -5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.714 -14.273 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.517 -13.682 -4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.606 -15.346 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.091 -15.225 -3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.011 -13.566 -4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.347 -13.673 -2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.843 -12.964 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.920 -14.572 -1.872 1.00 0.00 H new ATOM 1429 N ILE A 89 4.620 -15.665 -8.736 1.00 0.00 N0 ATOM 1430 CA ILE A 89 3.325 -16.159 -9.187 1.00 0.00 C0 ATOM 1431 C ILE A 89 3.457 -16.952 -10.480 1.00 0.00 C0 ATOM 1432 O ILE A 89 2.892 -18.037 -10.615 1.00 0.00 O0 ATOM 1433 CB ILE A 89 2.337 -14.996 -9.395 1.00 0.00 C0 ATOM 1434 CG1 ILE A 89 1.979 -14.352 -8.053 1.00 0.00 C0 ATOM 1435 CG2 ILE A 89 1.084 -15.485 -10.105 1.00 0.00 C0 ATOM 1436 CD1 ILE A 89 1.263 -13.027 -8.182 1.00 0.00 C0 ATOM 0 H ILE A 89 4.716 -14.650 -8.763 1.00 0.00 H new ATOM 0 HA ILE A 89 2.941 -16.819 -8.410 1.00 0.00 H new ATOM 0 HB ILE A 89 2.815 -14.242 -10.021 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.351 -15.040 -7.487 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.892 -14.206 -7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.396 -14.651 -10.244 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.354 -15.899 -11.077 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.602 -16.256 -9.504 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.043 -12.634 -7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.897 -12.322 -8.719 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.332 -13.169 -8.730 1.00 0.00 H new ATOM 1448 N SER A 90 4.208 -16.403 -11.431 1.00 0.00 N0 ATOM 1449 CA SER A 90 4.392 -17.045 -12.726 1.00 0.00 C0 ATOM 1450 C SER A 90 5.119 -18.376 -12.583 1.00 0.00 C0 ATOM 1451 O SER A 90 4.516 -19.355 -12.239 1.00 0.00 O0 ATOM 1452 CB SER A 90 5.168 -16.132 -13.655 1.00 0.00 C0 ATOM 1453 OG SER A 90 5.429 -16.763 -14.878 1.00 0.00 O0 ATOM 0 H SER A 90 4.698 -15.515 -11.328 1.00 0.00 H new ATOM 0 HA SER A 90 3.406 -17.238 -13.149 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.602 -15.217 -13.828 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.107 -15.842 -13.184 1.00 0.00 H new ATOM 0 HG SER A 90 5.929 -16.154 -15.460 1.00 0.00 H new TER 1459 SER A 90