USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 45 MET CE :methyl -109:sc= -3.93 (180deg=-4.18!) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.514 K(o=-5,f=-12!) USER MOD Set 1.3: A 81 MET CE :methyl -132:sc= -0.592 (180deg=-2.37!) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 16 GLN : amide:sc= -0.248 K(o=-0.25,f=-3) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0901 (180deg=-0.402) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0293 (180deg=-0.16) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.47) USER MOD Single : A 17 LYS NZ :NH3+ 140:sc= -0.0911 (180deg=-0.313) USER MOD Single : A 18 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 151:sc= -6.86! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -78:sc= 0.337 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -137:sc= -1.12 (180deg=-1.3) USER MOD Single : A 51 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.231 USER MOD Single : A 71 THR OG1 : rot 37:sc= 0.189 USER MOD Single : A 80 MET CE :methyl -103:sc= -5.37! (180deg=-11.8!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 88.171 4.018 -2.165 1.00 3.22 N ATOM 2 CA MET A 1 87.687 4.937 -3.235 1.00 2.61 C ATOM 3 C MET A 1 86.156 4.965 -3.255 1.00 2.16 C ATOM 4 O MET A 1 85.550 5.929 -3.678 1.00 2.75 O ATOM 5 CB MET A 1 88.229 4.348 -4.537 1.00 3.09 C ATOM 6 CG MET A 1 87.699 5.157 -5.723 1.00 3.96 C ATOM 7 SD MET A 1 89.005 6.249 -6.339 1.00 4.65 S ATOM 8 CE MET A 1 88.483 7.744 -5.461 1.00 5.42 C ATOM 0 H1 MET A 1 89.198 4.133 -2.046 1.00 3.22 H new ATOM 0 H2 MET A 1 87.692 4.244 -1.270 1.00 3.22 H new ATOM 0 H3 MET A 1 87.962 3.035 -2.431 1.00 3.22 H new ATOM 0 HA MET A 1 88.021 5.963 -3.081 1.00 2.61 H new ATOM 0 HB2 MET A 1 89.319 4.364 -4.530 1.00 3.09 H new ATOM 0 HB3 MET A 1 87.926 3.305 -4.630 1.00 3.09 H new ATOM 0 HG2 MET A 1 87.367 4.486 -6.515 1.00 3.96 H new ATOM 0 HG3 MET A 1 86.833 5.744 -5.419 1.00 3.96 H new ATOM 0 HE1 MET A 1 88.968 8.614 -5.903 1.00 5.42 H new ATOM 0 HE2 MET A 1 87.401 7.853 -5.539 1.00 5.42 H new ATOM 0 HE3 MET A 1 88.765 7.666 -4.411 1.00 5.42 H new ATOM 20 N ASP A 2 85.527 3.917 -2.801 1.00 1.80 N ATOM 21 CA ASP A 2 84.036 3.886 -2.795 1.00 1.98 C ATOM 22 C ASP A 2 83.514 3.847 -1.357 1.00 1.58 C ATOM 23 O ASP A 2 82.745 2.982 -0.989 1.00 2.28 O ATOM 24 CB ASP A 2 83.662 2.601 -3.535 1.00 2.93 C ATOM 25 CG ASP A 2 83.450 2.909 -5.018 1.00 3.62 C ATOM 26 OD1 ASP A 2 83.413 4.078 -5.361 1.00 4.06 O ATOM 27 OD2 ASP A 2 83.329 1.968 -5.786 1.00 4.19 O ATOM 0 H ASP A 2 85.980 3.080 -2.434 1.00 1.80 H new ATOM 0 HA ASP A 2 83.604 4.768 -3.267 1.00 1.98 H new ATOM 0 HB2 ASP A 2 84.450 1.858 -3.416 1.00 2.93 H new ATOM 0 HB3 ASP A 2 82.755 2.174 -3.108 1.00 2.93 H new ATOM 32 N ASP A 3 83.925 4.778 -0.540 1.00 1.09 N ATOM 33 CA ASP A 3 83.452 4.791 0.873 1.00 1.04 C ATOM 34 C ASP A 3 83.536 3.383 1.469 1.00 0.99 C ATOM 35 O ASP A 3 84.147 2.497 0.906 1.00 1.06 O ATOM 36 CB ASP A 3 81.997 5.256 0.799 1.00 1.37 C ATOM 37 CG ASP A 3 81.949 6.703 0.303 1.00 1.89 C ATOM 38 OD1 ASP A 3 82.758 7.045 -0.545 1.00 2.45 O ATOM 39 OD2 ASP A 3 81.105 7.445 0.779 1.00 2.31 O ATOM 0 H ASP A 3 84.568 5.530 -0.790 1.00 1.09 H new ATOM 0 HA ASP A 3 84.056 5.441 1.506 1.00 1.04 H new ATOM 0 HB2 ASP A 3 81.431 4.611 0.127 1.00 1.37 H new ATOM 0 HB3 ASP A 3 81.530 5.181 1.781 1.00 1.37 H new ATOM 44 N ILE A 4 82.927 3.169 2.604 1.00 0.90 N ATOM 45 CA ILE A 4 82.976 1.817 3.231 1.00 0.89 C ATOM 46 C ILE A 4 81.704 1.033 2.900 1.00 0.82 C ATOM 47 O ILE A 4 81.689 -0.181 2.923 1.00 0.85 O ATOM 48 CB ILE A 4 83.072 2.080 4.735 1.00 0.85 C ATOM 49 CG1 ILE A 4 81.716 2.561 5.257 1.00 1.02 C ATOM 50 CG2 ILE A 4 84.129 3.154 4.999 1.00 0.75 C ATOM 51 CD1 ILE A 4 81.836 2.912 6.741 1.00 1.74 C ATOM 0 H ILE A 4 82.399 3.870 3.123 1.00 0.90 H new ATOM 0 HA ILE A 4 83.815 1.224 2.868 1.00 0.89 H new ATOM 0 HB ILE A 4 83.353 1.160 5.247 1.00 0.85 H new ATOM 0 HG12 ILE A 4 81.385 3.432 4.692 1.00 1.02 H new ATOM 0 HG13 ILE A 4 80.964 1.785 5.116 1.00 1.02 H new ATOM 0 HG21 ILE A 4 84.197 3.341 6.071 1.00 0.75 H new ATOM 0 HG22 ILE A 4 85.095 2.812 4.628 1.00 0.75 H new ATOM 0 HG23 ILE A 4 83.848 4.074 4.487 1.00 0.75 H new ATOM 0 HD11 ILE A 4 80.870 3.255 7.113 1.00 1.74 H new ATOM 0 HD12 ILE A 4 82.148 2.029 7.300 1.00 1.74 H new ATOM 0 HD13 ILE A 4 82.575 3.702 6.869 1.00 1.74 H new ATOM 63 N TYR A 5 80.636 1.718 2.593 1.00 0.78 N ATOM 64 CA TYR A 5 79.367 1.009 2.261 1.00 0.78 C ATOM 65 C TYR A 5 79.596 0.025 1.111 1.00 0.92 C ATOM 66 O TYR A 5 78.980 -1.020 1.043 1.00 0.99 O ATOM 67 CB TYR A 5 78.394 2.112 1.838 1.00 0.78 C ATOM 68 CG TYR A 5 78.270 3.145 2.938 1.00 0.92 C ATOM 69 CD1 TYR A 5 78.727 2.861 4.233 1.00 1.31 C ATOM 70 CD2 TYR A 5 77.692 4.390 2.661 1.00 1.77 C ATOM 71 CE1 TYR A 5 78.608 3.821 5.246 1.00 1.36 C ATOM 72 CE2 TYR A 5 77.572 5.349 3.675 1.00 2.00 C ATOM 73 CZ TYR A 5 78.030 5.065 4.966 1.00 1.35 C ATOM 74 OH TYR A 5 77.912 6.010 5.964 1.00 1.60 O ATOM 0 H TYR A 5 80.587 2.736 2.558 1.00 0.78 H new ATOM 0 HA TYR A 5 78.986 0.431 3.102 1.00 0.78 H new ATOM 0 HB2 TYR A 5 78.745 2.586 0.921 1.00 0.78 H new ATOM 0 HB3 TYR A 5 77.416 1.682 1.620 1.00 0.78 H new ATOM 0 HD1 TYR A 5 79.171 1.901 4.450 1.00 1.31 H new ATOM 0 HD2 TYR A 5 77.338 4.611 1.665 1.00 1.77 H new ATOM 0 HE1 TYR A 5 78.962 3.602 6.243 1.00 1.36 H new ATOM 0 HE2 TYR A 5 77.125 6.309 3.460 1.00 2.00 H new ATOM 0 HH TYR A 5 77.490 6.817 5.602 1.00 1.60 H new ATOM 84 N LYS A 6 80.478 0.350 0.206 1.00 1.02 N ATOM 85 CA LYS A 6 80.746 -0.567 -0.938 1.00 1.19 C ATOM 86 C LYS A 6 80.987 -1.990 -0.429 1.00 1.15 C ATOM 87 O LYS A 6 80.838 -2.954 -1.154 1.00 1.19 O ATOM 88 CB LYS A 6 82.008 -0.015 -1.602 1.00 1.38 C ATOM 89 CG LYS A 6 83.109 0.142 -0.551 1.00 1.86 C ATOM 90 CD LYS A 6 84.447 0.401 -1.246 1.00 1.94 C ATOM 91 CE LYS A 6 85.570 -0.286 -0.465 1.00 2.16 C ATOM 92 NZ LYS A 6 86.817 0.059 -1.204 1.00 2.91 N ATOM 0 H LYS A 6 81.025 1.211 0.209 1.00 1.02 H new ATOM 0 HA LYS A 6 79.908 -0.615 -1.633 1.00 1.19 H new ATOM 0 HB2 LYS A 6 82.339 -0.687 -2.394 1.00 1.38 H new ATOM 0 HB3 LYS A 6 81.796 0.947 -2.068 1.00 1.38 H new ATOM 0 HG2 LYS A 6 82.870 0.967 0.120 1.00 1.86 H new ATOM 0 HG3 LYS A 6 83.173 -0.758 0.061 1.00 1.86 H new ATOM 0 HD2 LYS A 6 84.417 0.024 -2.268 1.00 1.94 H new ATOM 0 HD3 LYS A 6 84.635 1.473 -1.307 1.00 1.94 H new ATOM 0 HE2 LYS A 6 85.610 0.069 0.565 1.00 2.16 H new ATOM 0 HE3 LYS A 6 85.420 -1.365 -0.424 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 87.634 -0.376 -0.729 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 86.753 -0.298 -2.179 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 86.936 1.092 -1.220 1.00 2.91 H new ATOM 106 N ALA A 7 81.361 -2.130 0.814 1.00 1.13 N ATOM 107 CA ALA A 7 81.613 -3.491 1.367 1.00 1.14 C ATOM 108 C ALA A 7 80.286 -4.190 1.678 1.00 1.06 C ATOM 109 O ALA A 7 80.134 -5.376 1.467 1.00 1.10 O ATOM 110 CB ALA A 7 82.410 -3.258 2.650 1.00 1.20 C ATOM 0 H ALA A 7 81.503 -1.362 1.470 1.00 1.13 H new ATOM 0 HA ALA A 7 82.150 -4.128 0.665 1.00 1.14 H new ATOM 0 HB1 ALA A 7 82.635 -4.217 3.118 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.341 -2.743 2.412 1.00 1.20 H new ATOM 0 HB3 ALA A 7 81.823 -2.648 3.337 1.00 1.20 H new ATOM 116 N ALA A 8 79.326 -3.466 2.180 1.00 0.99 N ATOM 117 CA ALA A 8 78.012 -4.092 2.506 1.00 0.95 C ATOM 118 C ALA A 8 77.483 -4.873 1.300 1.00 0.95 C ATOM 119 O ALA A 8 76.777 -5.851 1.444 1.00 1.02 O ATOM 120 CB ALA A 8 77.087 -2.921 2.834 1.00 0.91 C ATOM 0 H ALA A 8 79.393 -2.468 2.379 1.00 0.99 H new ATOM 0 HA ALA A 8 78.085 -4.798 3.333 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.096 -3.299 3.086 1.00 0.91 H new ATOM 0 HB2 ALA A 8 77.489 -2.366 3.681 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.015 -2.261 1.969 1.00 0.91 H new ATOM 126 N VAL A 9 77.815 -4.448 0.111 1.00 0.97 N ATOM 127 CA VAL A 9 77.326 -5.165 -1.102 1.00 1.07 C ATOM 128 C VAL A 9 78.279 -6.305 -1.475 1.00 1.16 C ATOM 129 O VAL A 9 77.863 -7.334 -1.971 1.00 1.18 O ATOM 130 CB VAL A 9 77.304 -4.107 -2.205 1.00 1.21 C ATOM 131 CG1 VAL A 9 76.511 -4.635 -3.402 1.00 1.89 C ATOM 132 CG2 VAL A 9 76.640 -2.834 -1.676 1.00 1.49 C ATOM 0 H VAL A 9 78.404 -3.636 -0.073 1.00 0.97 H new ATOM 0 HA VAL A 9 76.346 -5.614 -0.943 1.00 1.07 H new ATOM 0 HB VAL A 9 78.325 -3.884 -2.515 1.00 1.21 H new ATOM 0 HG11 VAL A 9 76.495 -3.881 -4.189 1.00 1.89 H new ATOM 0 HG12 VAL A 9 76.982 -5.543 -3.779 1.00 1.89 H new ATOM 0 HG13 VAL A 9 75.490 -4.858 -3.092 1.00 1.89 H new ATOM 0 HG21 VAL A 9 76.624 -2.079 -2.462 1.00 1.49 H new ATOM 0 HG22 VAL A 9 75.619 -3.058 -1.367 1.00 1.49 H new ATOM 0 HG23 VAL A 9 77.204 -2.457 -0.822 1.00 1.49 H new ATOM 142 N GLU A 10 79.552 -6.133 -1.246 1.00 1.28 N ATOM 143 CA GLU A 10 80.522 -7.211 -1.597 1.00 1.44 C ATOM 144 C GLU A 10 80.297 -8.441 -0.709 1.00 1.41 C ATOM 145 O GLU A 10 80.672 -9.543 -1.054 1.00 1.54 O ATOM 146 CB GLU A 10 81.909 -6.597 -1.354 1.00 1.68 C ATOM 147 CG GLU A 10 82.291 -6.721 0.124 1.00 2.16 C ATOM 148 CD GLU A 10 83.224 -7.920 0.310 1.00 2.64 C ATOM 149 OE1 GLU A 10 83.119 -8.854 -0.467 1.00 3.13 O ATOM 150 OE2 GLU A 10 84.029 -7.882 1.227 1.00 3.13 O ATOM 0 H GLU A 10 79.962 -5.296 -0.832 1.00 1.28 H new ATOM 0 HA GLU A 10 80.410 -7.550 -2.627 1.00 1.44 H new ATOM 0 HB2 GLU A 10 82.651 -7.101 -1.973 1.00 1.68 H new ATOM 0 HB3 GLU A 10 81.907 -5.548 -1.650 1.00 1.68 H new ATOM 0 HG2 GLU A 10 82.782 -5.808 0.462 1.00 2.16 H new ATOM 0 HG3 GLU A 10 81.396 -6.845 0.733 1.00 2.16 H new ATOM 157 N GLN A 11 79.688 -8.257 0.431 1.00 1.37 N ATOM 158 CA GLN A 11 79.442 -9.416 1.336 1.00 1.43 C ATOM 159 C GLN A 11 78.202 -10.190 0.880 1.00 1.24 C ATOM 160 O GLN A 11 78.060 -11.367 1.146 1.00 1.31 O ATOM 161 CB GLN A 11 79.213 -8.797 2.716 1.00 1.58 C ATOM 162 CG GLN A 11 80.563 -8.461 3.352 1.00 1.88 C ATOM 163 CD GLN A 11 80.401 -7.268 4.296 1.00 2.09 C ATOM 164 OE1 GLN A 11 80.693 -6.146 3.931 1.00 2.64 O ATOM 165 NE2 GLN A 11 79.944 -7.463 5.503 1.00 2.48 N ATOM 0 H GLN A 11 79.351 -7.357 0.774 1.00 1.37 H new ATOM 0 HA GLN A 11 80.272 -10.123 1.339 1.00 1.43 H new ATOM 0 HB2 GLN A 11 78.606 -7.896 2.626 1.00 1.58 H new ATOM 0 HB3 GLN A 11 78.662 -9.491 3.351 1.00 1.58 H new ATOM 0 HG2 GLN A 11 80.943 -9.323 3.900 1.00 1.88 H new ATOM 0 HG3 GLN A 11 81.294 -8.229 2.577 1.00 1.88 H new ATOM 0 HE21 GLN A 11 79.699 -8.404 5.810 1.00 2.48 H new ATOM 0 HE22 GLN A 11 79.832 -6.674 6.140 1.00 2.48 H new ATOM 174 N LEU A 12 77.305 -9.539 0.192 1.00 1.24 N ATOM 175 CA LEU A 12 76.077 -10.238 -0.282 1.00 1.13 C ATOM 176 C LEU A 12 76.427 -11.211 -1.413 1.00 1.02 C ATOM 177 O LEU A 12 77.580 -11.417 -1.732 1.00 1.28 O ATOM 178 CB LEU A 12 75.161 -9.127 -0.794 1.00 1.12 C ATOM 179 CG LEU A 12 74.877 -8.138 0.337 1.00 1.28 C ATOM 180 CD1 LEU A 12 74.423 -6.802 -0.254 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.774 -8.697 1.238 1.00 1.49 C ATOM 0 H LEU A 12 77.369 -8.553 -0.063 1.00 1.24 H new ATOM 0 HA LEU A 12 75.604 -10.824 0.506 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.630 -8.612 -1.632 1.00 1.12 H new ATOM 0 HB3 LEU A 12 74.227 -9.552 -1.163 1.00 1.12 H new ATOM 0 HG LEU A 12 75.784 -7.987 0.922 1.00 1.28 H new ATOM 0 HD11 LEU A 12 74.221 -6.097 0.553 1.00 2.02 H new ATOM 0 HD12 LEU A 12 75.208 -6.403 -0.896 1.00 2.02 H new ATOM 0 HD13 LEU A 12 73.516 -6.953 -0.840 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.571 -7.992 2.045 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.868 -8.849 0.652 1.00 1.49 H new ATOM 0 HD23 LEU A 12 74.097 -9.649 1.660 1.00 1.49 H new ATOM 193 N THR A 13 75.439 -11.809 -2.022 1.00 0.93 N ATOM 194 CA THR A 13 75.718 -12.766 -3.131 1.00 0.93 C ATOM 195 C THR A 13 74.717 -12.562 -4.270 1.00 0.88 C ATOM 196 O THR A 13 73.640 -12.036 -4.075 1.00 0.86 O ATOM 197 CB THR A 13 75.548 -14.153 -2.509 1.00 1.03 C ATOM 198 OG1 THR A 13 74.189 -14.337 -2.135 1.00 1.13 O ATOM 199 CG2 THR A 13 76.441 -14.275 -1.275 1.00 1.20 C ATOM 0 H THR A 13 74.452 -11.677 -1.800 1.00 0.93 H new ATOM 0 HA THR A 13 76.713 -12.628 -3.555 1.00 0.93 H new ATOM 0 HB THR A 13 75.833 -14.915 -3.234 1.00 1.03 H new ATOM 0 HG1 THR A 13 74.077 -15.226 -1.737 1.00 1.13 H new ATOM 0 HG21 THR A 13 76.318 -15.264 -0.833 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.482 -14.133 -1.564 1.00 1.20 H new ATOM 0 HG23 THR A 13 76.160 -13.515 -0.546 1.00 1.20 H new ATOM 207 N GLU A 14 75.065 -12.977 -5.458 1.00 0.88 N ATOM 208 CA GLU A 14 74.131 -12.809 -6.608 1.00 0.87 C ATOM 209 C GLU A 14 72.712 -13.210 -6.198 1.00 0.82 C ATOM 210 O GLU A 14 71.749 -12.542 -6.520 1.00 0.79 O ATOM 211 CB GLU A 14 74.662 -13.749 -7.690 1.00 0.99 C ATOM 212 CG GLU A 14 74.432 -13.126 -9.068 1.00 1.98 C ATOM 213 CD GLU A 14 75.542 -12.116 -9.362 1.00 2.36 C ATOM 214 OE1 GLU A 14 76.390 -11.932 -8.505 1.00 2.36 O ATOM 215 OE2 GLU A 14 75.525 -11.543 -10.439 1.00 3.17 O ATOM 0 H GLU A 14 75.954 -13.424 -5.682 1.00 0.88 H new ATOM 0 HA GLU A 14 74.082 -11.776 -6.954 1.00 0.87 H new ATOM 0 HB2 GLU A 14 75.725 -13.934 -7.536 1.00 0.99 H new ATOM 0 HB3 GLU A 14 74.159 -14.714 -7.627 1.00 0.99 H new ATOM 0 HG2 GLU A 14 74.420 -13.903 -9.833 1.00 1.98 H new ATOM 0 HG3 GLU A 14 73.460 -12.634 -9.099 1.00 1.98 H new ATOM 222 N GLU A 15 72.576 -14.295 -5.487 1.00 0.85 N ATOM 223 CA GLU A 15 71.220 -14.739 -5.054 1.00 0.84 C ATOM 224 C GLU A 15 70.540 -13.639 -4.235 1.00 0.76 C ATOM 225 O GLU A 15 69.388 -13.314 -4.448 1.00 0.70 O ATOM 226 CB GLU A 15 71.467 -15.976 -4.191 1.00 0.92 C ATOM 227 CG GLU A 15 70.205 -16.840 -4.162 1.00 1.49 C ATOM 228 CD GLU A 15 70.211 -17.708 -2.902 1.00 1.88 C ATOM 229 OE1 GLU A 15 71.287 -17.981 -2.400 1.00 2.07 O ATOM 230 OE2 GLU A 15 69.137 -18.083 -2.460 1.00 2.62 O ATOM 0 H GLU A 15 73.345 -14.894 -5.187 1.00 0.85 H new ATOM 0 HA GLU A 15 70.566 -14.955 -5.899 1.00 0.84 H new ATOM 0 HB2 GLU A 15 72.304 -16.549 -4.590 1.00 0.92 H new ATOM 0 HB3 GLU A 15 71.739 -15.677 -3.179 1.00 0.92 H new ATOM 0 HG2 GLU A 15 69.318 -16.207 -4.177 1.00 1.49 H new ATOM 0 HG3 GLU A 15 70.162 -17.470 -5.050 1.00 1.49 H new ATOM 237 N GLN A 16 71.243 -13.063 -3.298 1.00 0.79 N ATOM 238 CA GLN A 16 70.636 -11.985 -2.466 1.00 0.74 C ATOM 239 C GLN A 16 70.384 -10.739 -3.319 1.00 0.68 C ATOM 240 O GLN A 16 69.447 -9.998 -3.091 1.00 0.67 O ATOM 241 CB GLN A 16 71.671 -11.692 -1.381 1.00 0.79 C ATOM 242 CG GLN A 16 71.399 -12.577 -0.162 1.00 0.88 C ATOM 243 CD GLN A 16 72.726 -13.056 0.429 1.00 1.70 C ATOM 244 OE1 GLN A 16 73.747 -12.420 0.255 1.00 2.53 O ATOM 245 NE2 GLN A 16 72.755 -14.160 1.124 1.00 2.20 N ATOM 0 H GLN A 16 72.211 -13.292 -3.073 1.00 0.79 H new ATOM 0 HA GLN A 16 69.676 -12.280 -2.043 1.00 0.74 H new ATOM 0 HB2 GLN A 16 72.675 -11.878 -1.762 1.00 0.79 H new ATOM 0 HB3 GLN A 16 71.628 -10.641 -1.097 1.00 0.79 H new ATOM 0 HG2 GLN A 16 70.836 -12.020 0.587 1.00 0.88 H new ATOM 0 HG3 GLN A 16 70.787 -13.432 -0.450 1.00 0.88 H new ATOM 0 HE21 GLN A 16 71.898 -14.693 1.270 1.00 2.20 H new ATOM 0 HE22 GLN A 16 73.635 -14.489 1.521 1.00 2.20 H new ATOM 254 N LYS A 17 71.210 -10.502 -4.300 1.00 0.69 N ATOM 255 CA LYS A 17 71.014 -9.303 -5.167 1.00 0.68 C ATOM 256 C LYS A 17 69.720 -9.441 -5.972 1.00 0.62 C ATOM 257 O LYS A 17 69.068 -8.466 -6.289 1.00 0.57 O ATOM 258 CB LYS A 17 72.227 -9.285 -6.098 1.00 0.79 C ATOM 259 CG LYS A 17 72.233 -7.987 -6.904 1.00 1.01 C ATOM 260 CD LYS A 17 73.158 -6.972 -6.231 1.00 1.53 C ATOM 261 CE LYS A 17 74.615 -7.316 -6.554 1.00 1.70 C ATOM 262 NZ LYS A 17 75.415 -6.247 -5.894 1.00 2.33 N ATOM 0 H LYS A 17 72.012 -11.085 -4.540 1.00 0.69 H new ATOM 0 HA LYS A 17 70.932 -8.383 -4.589 1.00 0.68 H new ATOM 0 HB2 LYS A 17 73.146 -9.369 -5.517 1.00 0.79 H new ATOM 0 HB3 LYS A 17 72.195 -10.143 -6.770 1.00 0.79 H new ATOM 0 HG2 LYS A 17 72.568 -8.181 -7.923 1.00 1.01 H new ATOM 0 HG3 LYS A 17 71.222 -7.584 -6.972 1.00 1.01 H new ATOM 0 HD2 LYS A 17 72.925 -5.965 -6.579 1.00 1.53 H new ATOM 0 HD3 LYS A 17 73.002 -6.981 -5.152 1.00 1.53 H new ATOM 0 HE2 LYS A 17 74.882 -8.302 -6.173 1.00 1.70 H new ATOM 0 HE3 LYS A 17 74.788 -7.332 -7.630 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 76.267 -6.664 -5.468 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 75.693 -5.536 -6.600 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 74.844 -5.794 -5.152 1.00 2.33 H new ATOM 276 N ASN A 18 69.344 -10.645 -6.305 1.00 0.65 N ATOM 277 CA ASN A 18 68.093 -10.847 -7.090 1.00 0.64 C ATOM 278 C ASN A 18 66.868 -10.600 -6.205 1.00 0.58 C ATOM 279 O ASN A 18 65.960 -9.880 -6.572 1.00 0.56 O ATOM 280 CB ASN A 18 68.142 -12.305 -7.546 1.00 0.73 C ATOM 281 CG ASN A 18 68.908 -12.401 -8.866 1.00 0.91 C ATOM 282 OD1 ASN A 18 69.248 -11.397 -9.459 1.00 1.55 O ATOM 283 ND2 ASN A 18 69.194 -13.577 -9.356 1.00 1.35 N ATOM 0 H ASN A 18 69.849 -11.499 -6.067 1.00 0.65 H new ATOM 0 HA ASN A 18 68.018 -10.160 -7.933 1.00 0.64 H new ATOM 0 HB2 ASN A 18 68.627 -12.919 -6.787 1.00 0.73 H new ATOM 0 HB3 ASN A 18 67.131 -12.692 -7.671 1.00 0.73 H new ATOM 0 HD21 ASN A 18 69.703 -13.652 -10.237 1.00 1.35 H new ATOM 0 HD22 ASN A 18 68.909 -14.420 -8.858 1.00 1.35 H new ATOM 290 N GLU A 19 66.835 -11.192 -5.042 1.00 0.62 N ATOM 291 CA GLU A 19 65.667 -10.988 -4.136 1.00 0.64 C ATOM 292 C GLU A 19 65.348 -9.495 -4.015 1.00 0.58 C ATOM 293 O GLU A 19 64.252 -9.059 -4.305 1.00 0.61 O ATOM 294 CB GLU A 19 66.110 -11.554 -2.786 1.00 0.75 C ATOM 295 CG GLU A 19 64.884 -12.031 -2.004 1.00 1.47 C ATOM 296 CD GLU A 19 65.339 -12.756 -0.736 1.00 2.01 C ATOM 297 OE1 GLU A 19 66.056 -12.151 0.044 1.00 2.64 O ATOM 298 OE2 GLU A 19 64.963 -13.903 -0.566 1.00 2.50 O ATOM 0 H GLU A 19 67.564 -11.807 -4.680 1.00 0.62 H new ATOM 0 HA GLU A 19 64.765 -11.476 -4.506 1.00 0.64 H new ATOM 0 HB2 GLU A 19 66.803 -12.382 -2.937 1.00 0.75 H new ATOM 0 HB3 GLU A 19 66.643 -10.792 -2.218 1.00 0.75 H new ATOM 0 HG2 GLU A 19 64.252 -11.182 -1.743 1.00 1.47 H new ATOM 0 HG3 GLU A 19 64.282 -12.698 -2.621 1.00 1.47 H new ATOM 305 N PHE A 20 66.299 -8.709 -3.589 1.00 0.58 N ATOM 306 CA PHE A 20 66.050 -7.244 -3.450 1.00 0.59 C ATOM 307 C PHE A 20 65.602 -6.653 -4.789 1.00 0.53 C ATOM 308 O PHE A 20 64.731 -5.807 -4.845 1.00 0.54 O ATOM 309 CB PHE A 20 67.394 -6.653 -3.025 1.00 0.67 C ATOM 310 CG PHE A 20 67.381 -6.389 -1.538 1.00 1.04 C ATOM 311 CD1 PHE A 20 66.316 -5.687 -0.961 1.00 1.85 C ATOM 312 CD2 PHE A 20 68.433 -6.847 -0.736 1.00 1.87 C ATOM 313 CE1 PHE A 20 66.302 -5.442 0.417 1.00 2.52 C ATOM 314 CE2 PHE A 20 68.421 -6.601 0.643 1.00 2.57 C ATOM 315 CZ PHE A 20 67.355 -5.898 1.219 1.00 2.67 C ATOM 0 H PHE A 20 67.237 -9.017 -3.331 1.00 0.58 H new ATOM 0 HA PHE A 20 65.262 -7.026 -2.729 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.201 -7.341 -3.276 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.584 -5.727 -3.568 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.504 -5.334 -1.580 1.00 1.85 H new ATOM 0 HD2 PHE A 20 69.254 -7.390 -1.180 1.00 1.87 H new ATOM 0 HE1 PHE A 20 65.479 -4.901 0.861 1.00 2.52 H new ATOM 0 HE2 PHE A 20 69.233 -6.953 1.262 1.00 2.57 H new ATOM 0 HZ PHE A 20 67.345 -5.708 2.282 1.00 2.67 H new ATOM 325 N LYS A 21 66.192 -7.089 -5.869 1.00 0.53 N ATOM 326 CA LYS A 21 65.798 -6.548 -7.202 1.00 0.53 C ATOM 327 C LYS A 21 64.310 -6.806 -7.457 1.00 0.50 C ATOM 328 O LYS A 21 63.630 -6.011 -8.073 1.00 0.63 O ATOM 329 CB LYS A 21 66.656 -7.315 -8.209 1.00 0.61 C ATOM 330 CG LYS A 21 66.639 -6.583 -9.553 1.00 0.68 C ATOM 331 CD LYS A 21 67.863 -6.993 -10.374 1.00 1.26 C ATOM 332 CE LYS A 21 67.675 -6.553 -11.828 1.00 1.85 C ATOM 333 NZ LYS A 21 69.004 -6.026 -12.246 1.00 1.94 N ATOM 0 H LYS A 21 66.928 -7.795 -5.886 1.00 0.53 H new ATOM 0 HA LYS A 21 65.951 -5.471 -7.274 1.00 0.53 H new ATOM 0 HB2 LYS A 21 67.679 -7.400 -7.842 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.275 -8.329 -8.330 1.00 0.61 H new ATOM 0 HG2 LYS A 21 65.726 -6.822 -10.098 1.00 0.68 H new ATOM 0 HG3 LYS A 21 66.641 -5.505 -9.392 1.00 0.68 H new ATOM 0 HD2 LYS A 21 68.762 -6.537 -9.959 1.00 1.26 H new ATOM 0 HD3 LYS A 21 68.002 -8.073 -10.325 1.00 1.26 H new ATOM 0 HE2 LYS A 21 67.366 -7.388 -12.456 1.00 1.85 H new ATOM 0 HE3 LYS A 21 66.903 -5.788 -11.912 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 68.955 -5.704 -13.234 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 69.269 -5.227 -11.635 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 69.718 -6.778 -12.162 1.00 1.94 H new ATOM 347 N ALA A 22 63.800 -7.913 -6.987 1.00 0.51 N ATOM 348 CA ALA A 22 62.357 -8.219 -7.204 1.00 0.60 C ATOM 349 C ALA A 22 61.485 -7.269 -6.377 1.00 0.51 C ATOM 350 O ALA A 22 60.344 -7.014 -6.708 1.00 0.50 O ATOM 351 CB ALA A 22 62.184 -9.661 -6.725 1.00 0.76 C ATOM 0 H ALA A 22 64.320 -8.617 -6.463 1.00 0.51 H new ATOM 0 HA ALA A 22 62.059 -8.096 -8.245 1.00 0.60 H new ATOM 0 HB1 ALA A 22 61.145 -9.964 -6.852 1.00 0.76 H new ATOM 0 HB2 ALA A 22 62.828 -10.318 -7.310 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.456 -9.730 -5.672 1.00 0.76 H new ATOM 357 N ALA A 23 62.014 -6.745 -5.305 1.00 0.51 N ATOM 358 CA ALA A 23 61.215 -5.813 -4.459 1.00 0.47 C ATOM 359 C ALA A 23 61.670 -4.369 -4.692 1.00 0.43 C ATOM 360 O ALA A 23 61.071 -3.432 -4.202 1.00 0.46 O ATOM 361 CB ALA A 23 61.503 -6.239 -3.020 1.00 0.58 C ATOM 0 H ALA A 23 62.964 -6.922 -4.979 1.00 0.51 H new ATOM 0 HA ALA A 23 60.151 -5.853 -4.690 1.00 0.47 H new ATOM 0 HB1 ALA A 23 60.950 -5.599 -2.333 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.195 -7.275 -2.879 1.00 0.58 H new ATOM 0 HB3 ALA A 23 62.571 -6.148 -2.820 1.00 0.58 H new ATOM 367 N PHE A 24 62.728 -4.185 -5.433 1.00 0.54 N ATOM 368 CA PHE A 24 63.225 -2.805 -5.696 1.00 0.56 C ATOM 369 C PHE A 24 62.558 -2.230 -6.949 1.00 0.56 C ATOM 370 O PHE A 24 62.067 -1.118 -6.950 1.00 0.60 O ATOM 371 CB PHE A 24 64.729 -2.965 -5.916 1.00 0.66 C ATOM 372 CG PHE A 24 65.314 -1.655 -6.383 1.00 0.60 C ATOM 373 CD1 PHE A 24 65.637 -0.661 -5.453 1.00 1.24 C ATOM 374 CD2 PHE A 24 65.538 -1.435 -7.748 1.00 1.45 C ATOM 375 CE1 PHE A 24 66.182 0.554 -5.885 1.00 1.24 C ATOM 376 CE2 PHE A 24 66.082 -0.221 -8.181 1.00 1.61 C ATOM 377 CZ PHE A 24 66.404 0.774 -7.250 1.00 0.94 C ATOM 0 H PHE A 24 63.270 -4.931 -5.868 1.00 0.54 H new ATOM 0 HA PHE A 24 63.001 -2.122 -4.877 1.00 0.56 H new ATOM 0 HB2 PHE A 24 65.211 -3.281 -4.991 1.00 0.66 H new ATOM 0 HB3 PHE A 24 64.918 -3.743 -6.655 1.00 0.66 H new ATOM 0 HD1 PHE A 24 65.466 -0.831 -4.400 1.00 1.24 H new ATOM 0 HD2 PHE A 24 65.291 -2.203 -8.466 1.00 1.45 H new ATOM 0 HE1 PHE A 24 66.431 1.321 -5.166 1.00 1.24 H new ATOM 0 HE2 PHE A 24 66.254 -0.051 -9.234 1.00 1.61 H new ATOM 0 HZ PHE A 24 66.824 1.711 -7.585 1.00 0.94 H new ATOM 387 N ASP A 25 62.536 -2.982 -8.016 1.00 0.58 N ATOM 388 CA ASP A 25 61.902 -2.481 -9.270 1.00 0.64 C ATOM 389 C ASP A 25 60.400 -2.272 -9.057 1.00 0.66 C ATOM 390 O ASP A 25 59.721 -1.694 -9.882 1.00 0.76 O ATOM 391 CB ASP A 25 62.150 -3.582 -10.301 1.00 0.68 C ATOM 392 CG ASP A 25 61.278 -3.334 -11.533 1.00 1.05 C ATOM 393 OD1 ASP A 25 61.213 -2.195 -11.969 1.00 1.58 O ATOM 394 OD2 ASP A 25 60.691 -4.285 -12.021 1.00 1.78 O ATOM 0 H ASP A 25 62.929 -3.921 -8.074 1.00 0.58 H new ATOM 0 HA ASP A 25 62.312 -1.523 -9.588 1.00 0.64 H new ATOM 0 HB2 ASP A 25 63.202 -3.599 -10.585 1.00 0.68 H new ATOM 0 HB3 ASP A 25 61.920 -4.557 -9.870 1.00 0.68 H new ATOM 399 N ILE A 26 59.877 -2.739 -7.956 1.00 0.61 N ATOM 400 CA ILE A 26 58.420 -2.571 -7.690 1.00 0.67 C ATOM 401 C ILE A 26 58.109 -1.122 -7.305 1.00 0.73 C ATOM 402 O ILE A 26 56.974 -0.767 -7.055 1.00 0.99 O ATOM 403 CB ILE A 26 58.128 -3.509 -6.525 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.189 -4.954 -7.020 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.735 -3.218 -5.967 1.00 0.83 C ATOM 406 CD1 ILE A 26 57.640 -5.880 -5.939 1.00 0.84 C ATOM 0 H ILE A 26 60.396 -3.230 -7.228 1.00 0.61 H new ATOM 0 HA ILE A 26 57.811 -2.799 -8.565 1.00 0.67 H new ATOM 0 HB ILE A 26 58.867 -3.357 -5.738 1.00 0.70 H new ATOM 0 HG12 ILE A 26 57.609 -5.062 -7.936 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.217 -5.225 -7.260 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.529 -3.890 -5.134 1.00 0.83 H new ATOM 0 HG22 ILE A 26 56.690 -2.186 -5.620 1.00 0.83 H new ATOM 0 HG23 ILE A 26 55.991 -3.370 -6.749 1.00 0.83 H new ATOM 0 HD11 ILE A 26 57.682 -6.912 -6.288 1.00 0.84 H new ATOM 0 HD12 ILE A 26 58.239 -5.779 -5.034 1.00 0.84 H new ATOM 0 HD13 ILE A 26 56.606 -5.612 -5.721 1.00 0.84 H new ATOM 418 N PHE A 27 59.107 -0.283 -7.252 1.00 0.57 N ATOM 419 CA PHE A 27 58.863 1.141 -6.878 1.00 0.63 C ATOM 420 C PHE A 27 59.637 2.077 -7.811 1.00 0.59 C ATOM 421 O PHE A 27 59.958 3.194 -7.458 1.00 0.67 O ATOM 422 CB PHE A 27 59.378 1.266 -5.444 1.00 0.70 C ATOM 423 CG PHE A 27 58.458 0.516 -4.511 1.00 0.67 C ATOM 424 CD1 PHE A 27 57.341 1.158 -3.963 1.00 1.17 C ATOM 425 CD2 PHE A 27 58.721 -0.822 -4.193 1.00 1.44 C ATOM 426 CE1 PHE A 27 56.488 0.464 -3.097 1.00 1.20 C ATOM 427 CE2 PHE A 27 57.868 -1.517 -3.327 1.00 1.65 C ATOM 428 CZ PHE A 27 56.752 -0.874 -2.780 1.00 1.09 C ATOM 0 H PHE A 27 60.079 -0.520 -7.451 1.00 0.57 H new ATOM 0 HA PHE A 27 57.811 1.414 -6.960 1.00 0.63 H new ATOM 0 HB2 PHE A 27 60.390 0.866 -5.374 1.00 0.70 H new ATOM 0 HB3 PHE A 27 59.429 2.316 -5.155 1.00 0.70 H new ATOM 0 HD1 PHE A 27 57.137 2.190 -4.209 1.00 1.17 H new ATOM 0 HD2 PHE A 27 59.582 -1.318 -4.616 1.00 1.44 H new ATOM 0 HE1 PHE A 27 55.627 0.960 -2.674 1.00 1.20 H new ATOM 0 HE2 PHE A 27 58.071 -2.549 -3.081 1.00 1.65 H new ATOM 0 HZ PHE A 27 56.094 -1.410 -2.113 1.00 1.09 H new ATOM 438 N VAL A 28 59.936 1.632 -9.000 1.00 0.58 N ATOM 439 CA VAL A 28 60.687 2.499 -9.954 1.00 0.59 C ATOM 440 C VAL A 28 59.730 3.088 -10.992 1.00 0.64 C ATOM 441 O VAL A 28 60.118 3.412 -12.097 1.00 0.73 O ATOM 442 CB VAL A 28 61.696 1.569 -10.626 1.00 0.60 C ATOM 443 CG1 VAL A 28 62.633 2.389 -11.512 1.00 1.41 C ATOM 444 CG2 VAL A 28 62.511 0.843 -9.554 1.00 1.37 C ATOM 0 H VAL A 28 59.693 0.706 -9.353 1.00 0.58 H new ATOM 0 HA VAL A 28 61.175 3.337 -9.456 1.00 0.59 H new ATOM 0 HB VAL A 28 61.167 0.838 -11.237 1.00 0.60 H new ATOM 0 HG11 VAL A 28 63.353 1.726 -11.992 1.00 1.41 H new ATOM 0 HG12 VAL A 28 62.052 2.907 -12.275 1.00 1.41 H new ATOM 0 HG13 VAL A 28 63.163 3.120 -10.902 1.00 1.41 H new ATOM 0 HG21 VAL A 28 63.231 0.179 -10.032 1.00 1.37 H new ATOM 0 HG22 VAL A 28 63.041 1.574 -8.943 1.00 1.37 H new ATOM 0 HG23 VAL A 28 61.842 0.258 -8.922 1.00 1.37 H new ATOM 454 N LEU A 29 58.482 3.227 -10.646 1.00 0.75 N ATOM 455 CA LEU A 29 57.500 3.792 -11.614 1.00 0.91 C ATOM 456 C LEU A 29 58.023 5.107 -12.197 1.00 1.10 C ATOM 457 O LEU A 29 57.601 5.540 -13.251 1.00 1.54 O ATOM 458 CB LEU A 29 56.232 4.034 -10.794 1.00 1.17 C ATOM 459 CG LEU A 29 56.589 4.811 -9.525 1.00 1.49 C ATOM 460 CD1 LEU A 29 55.672 6.029 -9.397 1.00 2.09 C ATOM 461 CD2 LEU A 29 56.406 3.906 -8.306 1.00 1.73 C ATOM 0 H LEU A 29 58.098 2.974 -9.735 1.00 0.75 H new ATOM 0 HA LEU A 29 57.320 3.124 -12.456 1.00 0.91 H new ATOM 0 HB2 LEU A 29 55.505 4.593 -11.384 1.00 1.17 H new ATOM 0 HB3 LEU A 29 55.767 3.083 -10.533 1.00 1.17 H new ATOM 0 HG LEU A 29 57.626 5.142 -9.581 1.00 1.49 H new ATOM 0 HD11 LEU A 29 55.926 6.582 -8.493 1.00 2.09 H new ATOM 0 HD12 LEU A 29 55.801 6.674 -10.266 1.00 2.09 H new ATOM 0 HD13 LEU A 29 54.635 5.699 -9.341 1.00 2.09 H new ATOM 0 HD21 LEU A 29 56.660 4.458 -7.401 1.00 1.73 H new ATOM 0 HD22 LEU A 29 55.369 3.576 -8.250 1.00 1.73 H new ATOM 0 HD23 LEU A 29 57.059 3.038 -8.396 1.00 1.73 H new ATOM 473 N GLY A 30 58.936 5.747 -11.520 1.00 1.47 N ATOM 474 CA GLY A 30 59.480 7.034 -12.040 1.00 1.89 C ATOM 475 C GLY A 30 60.610 7.518 -11.131 1.00 1.94 C ATOM 476 O GLY A 30 60.481 7.541 -9.923 1.00 2.46 O ATOM 0 H GLY A 30 59.328 5.436 -10.631 1.00 1.47 H new ATOM 0 HA2 GLY A 30 59.850 6.900 -13.057 1.00 1.89 H new ATOM 0 HA3 GLY A 30 58.689 7.783 -12.085 1.00 1.89 H new ATOM 480 N ALA A 31 61.718 7.903 -11.702 1.00 1.89 N ATOM 481 CA ALA A 31 62.857 8.385 -10.870 1.00 2.14 C ATOM 482 C ALA A 31 64.035 8.782 -11.766 1.00 2.28 C ATOM 483 O ALA A 31 63.907 8.875 -12.970 1.00 2.46 O ATOM 484 CB ALA A 31 63.233 7.197 -9.987 1.00 1.97 C ATOM 0 H ALA A 31 61.884 7.905 -12.708 1.00 1.89 H new ATOM 0 HA ALA A 31 62.595 9.264 -10.281 1.00 2.14 H new ATOM 0 HB1 ALA A 31 64.068 7.473 -9.342 1.00 1.97 H new ATOM 0 HB2 ALA A 31 62.378 6.915 -9.373 1.00 1.97 H new ATOM 0 HB3 ALA A 31 63.522 6.354 -10.615 1.00 1.97 H new ATOM 490 N GLU A 32 65.180 9.016 -11.186 1.00 2.73 N ATOM 491 CA GLU A 32 66.363 9.404 -12.005 1.00 2.98 C ATOM 492 C GLU A 32 66.677 8.313 -13.033 1.00 2.33 C ATOM 493 O GLU A 32 66.876 8.585 -14.200 1.00 2.34 O ATOM 494 CB GLU A 32 67.510 9.543 -11.004 1.00 3.71 C ATOM 495 CG GLU A 32 67.463 10.931 -10.362 1.00 4.48 C ATOM 496 CD GLU A 32 67.643 12.000 -11.441 1.00 5.14 C ATOM 497 OE1 GLU A 32 68.650 11.957 -12.128 1.00 5.38 O ATOM 498 OE2 GLU A 32 66.771 12.845 -11.561 1.00 5.71 O ATOM 0 H GLU A 32 65.348 8.955 -10.182 1.00 2.73 H new ATOM 0 HA GLU A 32 66.194 10.326 -12.562 1.00 2.98 H new ATOM 0 HB2 GLU A 32 67.432 8.773 -10.236 1.00 3.71 H new ATOM 0 HB3 GLU A 32 68.466 9.396 -11.507 1.00 3.71 H new ATOM 0 HG2 GLU A 32 66.512 11.074 -9.849 1.00 4.48 H new ATOM 0 HG3 GLU A 32 68.247 11.022 -9.611 1.00 4.48 H new ATOM 505 N ASP A 33 66.724 7.080 -12.608 1.00 2.13 N ATOM 506 CA ASP A 33 67.027 5.973 -13.561 1.00 2.25 C ATOM 507 C ASP A 33 67.006 4.626 -12.833 1.00 1.67 C ATOM 508 O ASP A 33 68.000 4.190 -12.289 1.00 2.00 O ATOM 509 CB ASP A 33 68.430 6.277 -14.088 1.00 3.20 C ATOM 510 CG ASP A 33 69.339 6.675 -12.922 1.00 3.87 C ATOM 511 OD1 ASP A 33 69.070 6.242 -11.814 1.00 4.16 O ATOM 512 OD2 ASP A 33 70.287 7.406 -13.158 1.00 4.49 O ATOM 0 H ASP A 33 66.566 6.791 -11.643 1.00 2.13 H new ATOM 0 HA ASP A 33 66.294 5.909 -14.366 1.00 2.25 H new ATOM 0 HB2 ASP A 33 68.836 5.403 -14.597 1.00 3.20 H new ATOM 0 HB3 ASP A 33 68.388 7.082 -14.821 1.00 3.20 H new ATOM 517 N GLY A 34 65.883 3.964 -12.821 1.00 1.10 N ATOM 518 CA GLY A 34 65.801 2.646 -12.129 1.00 1.18 C ATOM 519 C GLY A 34 65.962 2.850 -10.623 1.00 0.92 C ATOM 520 O GLY A 34 66.717 2.156 -9.970 1.00 1.03 O ATOM 0 H GLY A 34 65.018 4.278 -13.260 1.00 1.10 H new ATOM 0 HA2 GLY A 34 64.844 2.170 -12.342 1.00 1.18 H new ATOM 0 HA3 GLY A 34 66.578 1.979 -12.501 1.00 1.18 H new ATOM 524 N CYS A 35 65.259 3.797 -10.064 1.00 0.78 N ATOM 525 CA CYS A 35 65.373 4.047 -8.598 1.00 0.68 C ATOM 526 C CYS A 35 63.978 4.169 -7.978 1.00 0.69 C ATOM 527 O CYS A 35 62.985 4.254 -8.675 1.00 0.89 O ATOM 528 CB CYS A 35 66.130 5.370 -8.478 1.00 0.78 C ATOM 529 SG CYS A 35 67.579 5.340 -9.565 1.00 1.27 S ATOM 0 H CYS A 35 64.610 4.409 -10.559 1.00 0.78 H new ATOM 0 HA CYS A 35 65.885 3.238 -8.078 1.00 0.68 H new ATOM 0 HB2 CYS A 35 65.477 6.200 -8.748 1.00 0.78 H new ATOM 0 HB3 CYS A 35 66.440 5.531 -7.446 1.00 0.78 H new ATOM 0 HG CYS A 35 67.858 6.550 -9.950 1.00 1.27 H new ATOM 535 N ILE A 36 63.891 4.183 -6.676 1.00 0.57 N ATOM 536 CA ILE A 36 62.555 4.303 -6.024 1.00 0.57 C ATOM 537 C ILE A 36 62.471 5.606 -5.226 1.00 0.50 C ATOM 538 O ILE A 36 63.466 6.256 -4.972 1.00 0.60 O ATOM 539 CB ILE A 36 62.451 3.093 -5.096 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.459 3.237 -3.955 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.753 1.819 -5.885 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.204 2.148 -2.910 1.00 0.75 C ATOM 0 H ILE A 36 64.683 4.117 -6.037 1.00 0.57 H new ATOM 0 HA ILE A 36 61.743 4.325 -6.751 1.00 0.57 H new ATOM 0 HB ILE A 36 61.443 3.036 -4.685 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.475 3.155 -4.341 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.369 4.223 -3.498 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.679 0.956 -5.224 1.00 0.72 H new ATOM 0 HG22 ILE A 36 62.035 1.716 -6.698 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.761 1.876 -6.296 1.00 0.72 H new ATOM 0 HD11 ILE A 36 63.922 2.249 -2.096 1.00 0.75 H new ATOM 0 HD12 ILE A 36 62.193 2.251 -2.517 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.316 1.167 -3.372 1.00 0.75 H new ATOM 554 N SER A 37 61.291 5.992 -4.831 1.00 0.54 N ATOM 555 CA SER A 37 61.139 7.255 -4.052 1.00 0.50 C ATOM 556 C SER A 37 61.375 6.992 -2.562 1.00 0.48 C ATOM 557 O SER A 37 60.780 6.109 -1.976 1.00 0.60 O ATOM 558 CB SER A 37 59.697 7.697 -4.295 1.00 0.55 C ATOM 559 OG SER A 37 59.688 9.045 -4.741 1.00 1.02 O ATOM 0 H SER A 37 60.423 5.488 -5.013 1.00 0.54 H new ATOM 0 HA SER A 37 61.857 8.016 -4.357 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.227 7.053 -5.038 1.00 0.55 H new ATOM 0 HB3 SER A 37 59.116 7.601 -3.378 1.00 0.55 H new ATOM 0 HG SER A 37 58.764 9.331 -4.899 1.00 1.02 H new ATOM 565 N THR A 38 62.236 7.751 -1.945 1.00 0.48 N ATOM 566 CA THR A 38 62.505 7.545 -0.493 1.00 0.53 C ATOM 567 C THR A 38 61.188 7.369 0.265 1.00 0.53 C ATOM 568 O THR A 38 61.019 6.439 1.028 1.00 0.59 O ATOM 569 CB THR A 38 63.221 8.819 -0.037 1.00 0.64 C ATOM 570 OG1 THR A 38 62.426 9.949 -0.367 1.00 0.62 O ATOM 571 CG2 THR A 38 64.576 8.924 -0.736 1.00 0.85 C ATOM 0 H THR A 38 62.766 8.505 -2.382 1.00 0.48 H new ATOM 0 HA THR A 38 63.103 6.653 -0.305 1.00 0.53 H new ATOM 0 HB THR A 38 63.375 8.784 1.042 1.00 0.64 H new ATOM 0 HG1 THR A 38 62.523 10.150 -1.321 1.00 0.62 H new ATOM 0 HG21 THR A 38 65.084 9.832 -0.410 1.00 0.85 H new ATOM 0 HG22 THR A 38 65.185 8.056 -0.482 1.00 0.85 H new ATOM 0 HG23 THR A 38 64.427 8.959 -1.815 1.00 0.85 H new ATOM 579 N LYS A 39 60.251 8.253 0.057 1.00 0.60 N ATOM 580 CA LYS A 39 58.944 8.132 0.764 1.00 0.73 C ATOM 581 C LYS A 39 58.313 6.768 0.469 1.00 0.66 C ATOM 582 O LYS A 39 57.445 6.306 1.181 1.00 0.87 O ATOM 583 CB LYS A 39 58.080 9.258 0.195 1.00 0.90 C ATOM 584 CG LYS A 39 58.650 10.608 0.636 1.00 1.78 C ATOM 585 CD LYS A 39 58.171 11.702 -0.321 1.00 2.12 C ATOM 586 CE LYS A 39 57.767 12.942 0.481 1.00 2.70 C ATOM 587 NZ LYS A 39 56.405 13.290 -0.011 1.00 2.96 N ATOM 0 H LYS A 39 60.333 9.053 -0.571 1.00 0.60 H new ATOM 0 HA LYS A 39 59.049 8.208 1.846 1.00 0.73 H new ATOM 0 HB2 LYS A 39 58.056 9.199 -0.893 1.00 0.90 H new ATOM 0 HB3 LYS A 39 57.052 9.154 0.542 1.00 0.90 H new ATOM 0 HG2 LYS A 39 58.331 10.835 1.653 1.00 1.78 H new ATOM 0 HG3 LYS A 39 59.739 10.569 0.645 1.00 1.78 H new ATOM 0 HD2 LYS A 39 58.962 11.954 -1.027 1.00 2.12 H new ATOM 0 HD3 LYS A 39 57.325 11.343 -0.906 1.00 2.12 H new ATOM 0 HE2 LYS A 39 57.760 12.735 1.551 1.00 2.70 H new ATOM 0 HE3 LYS A 39 58.467 13.762 0.320 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 56.059 14.132 0.492 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 56.445 13.488 -1.031 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 55.759 12.493 0.162 1.00 2.96 H new ATOM 601 N GLU A 40 58.746 6.119 -0.578 1.00 0.52 N ATOM 602 CA GLU A 40 58.175 4.785 -0.918 1.00 0.56 C ATOM 603 C GLU A 40 59.035 3.673 -0.309 1.00 0.52 C ATOM 604 O GLU A 40 58.537 2.647 0.107 1.00 0.59 O ATOM 605 CB GLU A 40 58.209 4.716 -2.446 1.00 0.71 C ATOM 606 CG GLU A 40 57.346 5.838 -3.026 1.00 1.06 C ATOM 607 CD GLU A 40 55.896 5.360 -3.139 1.00 1.41 C ATOM 608 OE1 GLU A 40 55.617 4.265 -2.682 1.00 1.60 O ATOM 609 OE2 GLU A 40 55.089 6.099 -3.680 1.00 2.23 O ATOM 0 H GLU A 40 59.471 6.455 -1.212 1.00 0.52 H new ATOM 0 HA GLU A 40 57.165 4.655 -0.528 1.00 0.56 H new ATOM 0 HB2 GLU A 40 59.235 4.810 -2.802 1.00 0.71 H new ATOM 0 HB3 GLU A 40 57.842 3.748 -2.785 1.00 0.71 H new ATOM 0 HG2 GLU A 40 57.401 6.720 -2.388 1.00 1.06 H new ATOM 0 HG3 GLU A 40 57.721 6.130 -4.007 1.00 1.06 H new ATOM 616 N LEU A 41 60.325 3.872 -0.254 1.00 0.51 N ATOM 617 CA LEU A 41 61.216 2.828 0.330 1.00 0.54 C ATOM 618 C LEU A 41 60.591 2.251 1.604 1.00 0.56 C ATOM 619 O LEU A 41 60.846 1.123 1.975 1.00 0.70 O ATOM 620 CB LEU A 41 62.519 3.559 0.656 1.00 0.62 C ATOM 621 CG LEU A 41 63.444 2.629 1.443 1.00 0.64 C ATOM 622 CD1 LEU A 41 64.891 2.857 1.005 1.00 1.18 C ATOM 623 CD2 LEU A 41 63.313 2.927 2.939 1.00 1.40 C ATOM 0 H LEU A 41 60.800 4.711 -0.588 1.00 0.51 H new ATOM 0 HA LEU A 41 61.376 1.992 -0.351 1.00 0.54 H new ATOM 0 HB2 LEU A 41 63.007 3.881 -0.264 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.309 4.457 1.237 1.00 0.62 H new ATOM 0 HG LEU A 41 63.165 1.593 1.251 1.00 0.64 H new ATOM 0 HD11 LEU A 41 65.550 2.194 1.566 1.00 1.18 H new ATOM 0 HD12 LEU A 41 64.986 2.647 -0.060 1.00 1.18 H new ATOM 0 HD13 LEU A 41 65.170 3.893 1.197 1.00 1.18 H new ATOM 0 HD21 LEU A 41 63.972 2.265 3.501 1.00 1.40 H new ATOM 0 HD22 LEU A 41 63.592 3.963 3.129 1.00 1.40 H new ATOM 0 HD23 LEU A 41 62.282 2.765 3.253 1.00 1.40 H new ATOM 635 N GLY A 42 59.771 3.015 2.273 1.00 0.57 N ATOM 636 CA GLY A 42 59.129 2.505 3.517 1.00 0.60 C ATOM 637 C GLY A 42 58.396 1.199 3.210 1.00 0.55 C ATOM 638 O GLY A 42 58.693 0.162 3.770 1.00 0.57 O ATOM 0 H GLY A 42 59.518 3.968 2.012 1.00 0.57 H new ATOM 0 HA2 GLY A 42 59.882 2.340 4.287 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.430 3.244 3.908 1.00 0.60 H new ATOM 642 N LYS A 43 57.442 1.239 2.321 1.00 0.57 N ATOM 643 CA LYS A 43 56.693 -0.001 1.974 1.00 0.58 C ATOM 644 C LYS A 43 57.657 -1.067 1.447 1.00 0.56 C ATOM 645 O LYS A 43 57.356 -2.245 1.442 1.00 0.60 O ATOM 646 CB LYS A 43 55.712 0.422 0.880 1.00 0.65 C ATOM 647 CG LYS A 43 54.765 1.492 1.427 1.00 0.99 C ATOM 648 CD LYS A 43 53.695 0.831 2.299 1.00 1.28 C ATOM 649 CE LYS A 43 52.738 0.029 1.414 1.00 1.53 C ATOM 650 NZ LYS A 43 51.904 -0.757 2.366 1.00 1.86 N ATOM 0 H LYS A 43 57.149 2.078 1.820 1.00 0.57 H new ATOM 0 HA LYS A 43 56.182 -0.431 2.835 1.00 0.58 H new ATOM 0 HB2 LYS A 43 56.257 0.809 0.019 1.00 0.65 H new ATOM 0 HB3 LYS A 43 55.142 -0.441 0.535 1.00 0.65 H new ATOM 0 HG2 LYS A 43 55.324 2.223 2.011 1.00 0.99 H new ATOM 0 HG3 LYS A 43 54.296 2.032 0.605 1.00 0.99 H new ATOM 0 HD2 LYS A 43 54.163 0.176 3.033 1.00 1.28 H new ATOM 0 HD3 LYS A 43 53.144 1.590 2.854 1.00 1.28 H new ATOM 0 HE2 LYS A 43 52.123 0.687 0.800 1.00 1.53 H new ATOM 0 HE3 LYS A 43 53.283 -0.625 0.733 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 51.221 -1.334 1.835 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 52.516 -1.378 2.932 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 51.392 -0.108 2.997 1.00 1.86 H new ATOM 664 N VAL A 44 58.816 -0.663 1.004 1.00 0.54 N ATOM 665 CA VAL A 44 59.802 -1.649 0.477 1.00 0.56 C ATOM 666 C VAL A 44 60.528 -2.340 1.638 1.00 0.59 C ATOM 667 O VAL A 44 60.771 -3.529 1.610 1.00 0.57 O ATOM 668 CB VAL A 44 60.777 -0.817 -0.363 1.00 0.59 C ATOM 669 CG1 VAL A 44 62.106 -1.561 -0.517 1.00 1.36 C ATOM 670 CG2 VAL A 44 60.171 -0.575 -1.748 1.00 1.36 C ATOM 0 H VAL A 44 59.123 0.309 0.984 1.00 0.54 H new ATOM 0 HA VAL A 44 59.333 -2.438 -0.111 1.00 0.56 H new ATOM 0 HB VAL A 44 60.956 0.135 0.137 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.792 -0.961 -1.116 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.541 -1.736 0.467 1.00 1.36 H new ATOM 0 HG13 VAL A 44 61.933 -2.516 -1.012 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.862 0.017 -2.349 1.00 1.36 H new ATOM 0 HG22 VAL A 44 59.991 -1.532 -2.239 1.00 1.36 H new ATOM 0 HG23 VAL A 44 59.228 -0.038 -1.644 1.00 1.36 H new ATOM 680 N MET A 45 60.874 -1.602 2.658 1.00 0.74 N ATOM 681 CA MET A 45 61.583 -2.218 3.817 1.00 0.84 C ATOM 682 C MET A 45 60.626 -3.115 4.606 1.00 0.86 C ATOM 683 O MET A 45 61.034 -4.069 5.239 1.00 0.89 O ATOM 684 CB MET A 45 62.040 -1.037 4.674 1.00 0.96 C ATOM 685 CG MET A 45 63.162 -0.288 3.957 1.00 1.12 C ATOM 686 SD MET A 45 64.341 0.342 5.178 1.00 1.48 S ATOM 687 CE MET A 45 65.700 -0.784 4.781 1.00 0.73 C ATOM 0 H MET A 45 60.697 -0.601 2.739 1.00 0.74 H new ATOM 0 HA MET A 45 62.419 -2.843 3.505 1.00 0.84 H new ATOM 0 HB2 MET A 45 61.202 -0.365 4.862 1.00 0.96 H new ATOM 0 HB3 MET A 45 62.388 -1.392 5.644 1.00 0.96 H new ATOM 0 HG2 MET A 45 63.668 -0.952 3.256 1.00 1.12 H new ATOM 0 HG3 MET A 45 62.750 0.536 3.374 1.00 1.12 H new ATOM 0 HE1 MET A 45 65.825 -1.503 5.591 1.00 0.73 H new ATOM 0 HE2 MET A 45 65.474 -1.315 3.856 1.00 0.73 H new ATOM 0 HE3 MET A 45 66.621 -0.214 4.657 1.00 0.73 H new ATOM 697 N ARG A 46 59.356 -2.815 4.578 1.00 0.94 N ATOM 698 CA ARG A 46 58.375 -3.647 5.329 1.00 1.04 C ATOM 699 C ARG A 46 57.988 -4.886 4.513 1.00 1.00 C ATOM 700 O ARG A 46 57.434 -5.834 5.032 1.00 1.04 O ATOM 701 CB ARG A 46 57.161 -2.741 5.533 1.00 1.21 C ATOM 702 CG ARG A 46 57.583 -1.484 6.295 1.00 1.04 C ATOM 703 CD ARG A 46 56.429 -1.012 7.183 1.00 1.77 C ATOM 704 NE ARG A 46 56.556 0.471 7.225 1.00 2.29 N ATOM 705 CZ ARG A 46 55.489 1.214 7.341 1.00 2.76 C ATOM 706 NH1 ARG A 46 54.559 0.890 8.197 1.00 3.45 N ATOM 707 NH2 ARG A 46 55.353 2.281 6.603 1.00 3.10 N ATOM 0 H ARG A 46 58.956 -2.029 4.067 1.00 0.94 H new ATOM 0 HA ARG A 46 58.781 -4.006 6.274 1.00 1.04 H new ATOM 0 HB2 ARG A 46 56.732 -2.468 4.569 1.00 1.21 H new ATOM 0 HB3 ARG A 46 56.387 -3.272 6.087 1.00 1.21 H new ATOM 0 HG2 ARG A 46 58.462 -1.694 6.904 1.00 1.04 H new ATOM 0 HG3 ARG A 46 57.861 -0.697 5.594 1.00 1.04 H new ATOM 0 HD2 ARG A 46 55.466 -1.314 6.772 1.00 1.77 H new ATOM 0 HD3 ARG A 46 56.498 -1.442 8.182 1.00 1.77 H new ATOM 0 HE ARG A 46 57.476 0.906 7.163 1.00 2.29 H new ATOM 0 HH11 ARG A 46 54.666 0.056 8.775 1.00 3.45 H new ATOM 0 HH12 ARG A 46 53.725 1.470 8.288 1.00 3.45 H new ATOM 0 HH21 ARG A 46 56.081 2.535 5.935 1.00 3.10 H new ATOM 0 HH22 ARG A 46 54.519 2.861 6.694 1.00 3.10 H new ATOM 721 N MET A 47 58.274 -4.882 3.239 1.00 0.98 N ATOM 722 CA MET A 47 57.918 -6.059 2.394 1.00 1.04 C ATOM 723 C MET A 47 58.978 -7.155 2.531 1.00 0.99 C ATOM 724 O MET A 47 58.739 -8.304 2.213 1.00 1.07 O ATOM 725 CB MET A 47 57.883 -5.522 0.963 1.00 1.19 C ATOM 726 CG MET A 47 56.431 -5.324 0.527 1.00 1.37 C ATOM 727 SD MET A 47 56.254 -5.795 -1.212 1.00 1.89 S ATOM 728 CE MET A 47 57.094 -4.359 -1.924 1.00 1.30 C ATOM 0 H MET A 47 58.737 -4.118 2.748 1.00 0.98 H new ATOM 0 HA MET A 47 56.967 -6.503 2.687 1.00 1.04 H new ATOM 0 HB2 MET A 47 58.423 -4.577 0.905 1.00 1.19 H new ATOM 0 HB3 MET A 47 58.384 -6.218 0.290 1.00 1.19 H new ATOM 0 HG2 MET A 47 55.768 -5.927 1.148 1.00 1.37 H new ATOM 0 HG3 MET A 47 56.137 -4.283 0.665 1.00 1.37 H new ATOM 0 HE1 MET A 47 56.534 -4.001 -2.788 1.00 1.30 H new ATOM 0 HE2 MET A 47 57.156 -3.567 -1.178 1.00 1.30 H new ATOM 0 HE3 MET A 47 58.099 -4.643 -2.236 1.00 1.30 H new ATOM 738 N LEU A 48 60.146 -6.814 3.002 1.00 0.93 N ATOM 739 CA LEU A 48 61.215 -7.841 3.157 1.00 0.98 C ATOM 740 C LEU A 48 61.282 -8.317 4.611 1.00 1.32 C ATOM 741 O LEU A 48 61.832 -9.359 4.908 1.00 1.80 O ATOM 742 CB LEU A 48 62.510 -7.128 2.766 1.00 1.21 C ATOM 743 CG LEU A 48 62.703 -7.216 1.252 1.00 1.28 C ATOM 744 CD1 LEU A 48 63.078 -5.839 0.703 1.00 2.11 C ATOM 745 CD2 LEU A 48 63.823 -8.211 0.939 1.00 1.86 C ATOM 0 H LEU A 48 60.406 -5.870 3.286 1.00 0.93 H new ATOM 0 HA LEU A 48 61.034 -8.722 2.542 1.00 0.98 H new ATOM 0 HB2 LEU A 48 62.472 -6.084 3.078 1.00 1.21 H new ATOM 0 HB3 LEU A 48 63.357 -7.583 3.278 1.00 1.21 H new ATOM 0 HG LEU A 48 61.776 -7.552 0.787 1.00 1.28 H new ATOM 0 HD11 LEU A 48 63.215 -5.903 -0.376 1.00 2.11 H new ATOM 0 HD12 LEU A 48 62.282 -5.129 0.926 1.00 2.11 H new ATOM 0 HD13 LEU A 48 64.005 -5.502 1.167 1.00 2.11 H new ATOM 0 HD21 LEU A 48 63.962 -8.275 -0.140 1.00 1.86 H new ATOM 0 HD22 LEU A 48 64.749 -7.875 1.405 1.00 1.86 H new ATOM 0 HD23 LEU A 48 63.557 -9.193 1.329 1.00 1.86 H new ATOM 757 N GLY A 49 60.725 -7.561 5.517 1.00 1.36 N ATOM 758 CA GLY A 49 60.756 -7.969 6.950 1.00 1.95 C ATOM 759 C GLY A 49 61.265 -6.803 7.798 1.00 1.43 C ATOM 760 O GLY A 49 60.805 -6.575 8.900 1.00 1.92 O ATOM 0 H GLY A 49 60.250 -6.679 5.327 1.00 1.36 H new ATOM 0 HA2 GLY A 49 59.759 -8.263 7.278 1.00 1.95 H new ATOM 0 HA3 GLY A 49 61.403 -8.837 7.079 1.00 1.95 H new ATOM 764 N GLN A 50 62.211 -6.059 7.292 1.00 1.21 N ATOM 765 CA GLN A 50 62.749 -4.905 8.068 1.00 1.01 C ATOM 766 C GLN A 50 61.625 -3.922 8.401 1.00 1.02 C ATOM 767 O GLN A 50 60.832 -3.562 7.554 1.00 1.23 O ATOM 768 CB GLN A 50 63.777 -4.252 7.144 1.00 1.43 C ATOM 769 CG GLN A 50 65.173 -4.774 7.484 1.00 1.58 C ATOM 770 CD GLN A 50 65.419 -6.089 6.745 1.00 2.45 C ATOM 771 OE1 GLN A 50 64.869 -6.314 5.684 1.00 3.08 O ATOM 772 NE2 GLN A 50 66.225 -6.974 7.262 1.00 3.14 N ATOM 0 H GLN A 50 62.635 -6.200 6.375 1.00 1.21 H new ATOM 0 HA GLN A 50 63.191 -5.214 9.015 1.00 1.01 H new ATOM 0 HB2 GLN A 50 63.538 -4.472 6.104 1.00 1.43 H new ATOM 0 HB3 GLN A 50 63.745 -3.168 7.256 1.00 1.43 H new ATOM 0 HG2 GLN A 50 65.927 -4.039 7.201 1.00 1.58 H new ATOM 0 HG3 GLN A 50 65.264 -4.926 8.559 1.00 1.58 H new ATOM 0 HE21 GLN A 50 66.686 -6.785 8.152 1.00 3.14 H new ATOM 0 HE22 GLN A 50 66.394 -7.855 6.776 1.00 3.14 H new ATOM 781 N ASN A 51 61.551 -3.486 9.627 1.00 0.98 N ATOM 782 CA ASN A 51 60.478 -2.526 10.012 1.00 1.08 C ATOM 783 C ASN A 51 61.070 -1.372 10.825 1.00 0.93 C ATOM 784 O ASN A 51 60.749 -1.198 11.984 1.00 1.15 O ATOM 785 CB ASN A 51 59.505 -3.341 10.865 1.00 1.52 C ATOM 786 CG ASN A 51 58.744 -4.325 9.974 1.00 1.82 C ATOM 787 OD1 ASN A 51 58.894 -5.522 10.106 1.00 2.25 O ATOM 788 ND2 ASN A 51 57.926 -3.865 9.067 1.00 2.47 N ATOM 0 H ASN A 51 62.186 -3.752 10.379 1.00 0.98 H new ATOM 0 HA ASN A 51 59.987 -2.084 9.145 1.00 1.08 H new ATOM 0 HB2 ASN A 51 60.049 -3.882 11.640 1.00 1.52 H new ATOM 0 HB3 ASN A 51 58.805 -2.677 11.372 1.00 1.52 H new ATOM 0 HD21 ASN A 51 57.412 -4.512 8.469 1.00 2.47 H new ATOM 0 HD22 ASN A 51 57.800 -2.859 8.957 1.00 2.47 H new ATOM 795 N PRO A 52 61.922 -0.620 10.183 1.00 0.72 N ATOM 796 CA PRO A 52 62.573 0.534 10.850 1.00 0.80 C ATOM 797 C PRO A 52 61.572 1.676 11.032 1.00 0.80 C ATOM 798 O PRO A 52 60.452 1.614 10.562 1.00 0.80 O ATOM 799 CB PRO A 52 63.681 0.930 9.879 1.00 0.85 C ATOM 800 CG PRO A 52 63.221 0.438 8.544 1.00 0.79 C ATOM 801 CD PRO A 52 62.355 -0.771 8.790 1.00 0.71 C ATOM 0 HA PRO A 52 62.951 0.299 11.845 1.00 0.80 H new ATOM 0 HB2 PRO A 52 63.831 2.010 9.871 1.00 0.85 H new ATOM 0 HB3 PRO A 52 64.632 0.478 10.160 1.00 0.85 H new ATOM 0 HG2 PRO A 52 62.661 1.213 8.020 1.00 0.79 H new ATOM 0 HG3 PRO A 52 64.073 0.180 7.915 1.00 0.79 H new ATOM 0 HD2 PRO A 52 61.505 -0.798 8.108 1.00 0.71 H new ATOM 0 HD3 PRO A 52 62.911 -1.697 8.643 1.00 0.71 H new ATOM 809 N THR A 53 61.963 2.720 11.709 1.00 0.87 N ATOM 810 CA THR A 53 61.031 3.865 11.918 1.00 0.92 C ATOM 811 C THR A 53 61.163 4.870 10.771 1.00 0.82 C ATOM 812 O THR A 53 62.158 4.889 10.073 1.00 0.76 O ATOM 813 CB THR A 53 61.471 4.497 13.238 1.00 1.08 C ATOM 814 OG1 THR A 53 62.885 4.427 13.346 1.00 1.26 O ATOM 815 CG2 THR A 53 60.830 3.745 14.405 1.00 1.54 C ATOM 0 H THR A 53 62.887 2.830 12.127 1.00 0.87 H new ATOM 0 HA THR A 53 59.988 3.550 11.945 1.00 0.92 H new ATOM 0 HB THR A 53 61.155 5.540 13.265 1.00 1.08 H new ATOM 0 HG1 THR A 53 63.169 4.833 14.191 1.00 1.26 H new ATOM 0 HG21 THR A 53 61.145 4.197 15.346 1.00 1.54 H new ATOM 0 HG22 THR A 53 59.745 3.800 14.321 1.00 1.54 H new ATOM 0 HG23 THR A 53 61.143 2.701 14.381 1.00 1.54 H new ATOM 823 N PRO A 54 60.149 5.676 10.619 1.00 0.82 N ATOM 824 CA PRO A 54 60.145 6.702 9.548 1.00 0.75 C ATOM 825 C PRO A 54 61.108 7.838 9.904 1.00 0.73 C ATOM 826 O PRO A 54 61.993 8.176 9.142 1.00 0.69 O ATOM 827 CB PRO A 54 58.701 7.196 9.529 1.00 0.83 C ATOM 828 CG PRO A 54 58.177 6.912 10.902 1.00 0.94 C ATOM 829 CD PRO A 54 58.922 5.710 11.422 1.00 0.93 C ATOM 0 HA PRO A 54 60.468 6.318 8.580 1.00 0.75 H new ATOM 0 HB2 PRO A 54 58.651 8.260 9.300 1.00 0.83 H new ATOM 0 HB3 PRO A 54 58.117 6.678 8.768 1.00 0.83 H new ATOM 0 HG2 PRO A 54 58.327 7.771 11.556 1.00 0.94 H new ATOM 0 HG3 PRO A 54 57.105 6.717 10.872 1.00 0.94 H new ATOM 0 HD2 PRO A 54 59.144 5.807 12.485 1.00 0.93 H new ATOM 0 HD3 PRO A 54 58.340 4.797 11.300 1.00 0.93 H new ATOM 837 N GLU A 55 60.944 8.427 11.057 1.00 0.85 N ATOM 838 CA GLU A 55 61.853 9.537 11.462 1.00 0.87 C ATOM 839 C GLU A 55 63.310 9.129 11.227 1.00 0.84 C ATOM 840 O GLU A 55 64.164 9.957 10.978 1.00 0.82 O ATOM 841 CB GLU A 55 61.586 9.744 12.953 1.00 1.02 C ATOM 842 CG GLU A 55 61.173 11.196 13.200 1.00 1.48 C ATOM 843 CD GLU A 55 61.368 11.539 14.678 1.00 2.02 C ATOM 844 OE1 GLU A 55 62.510 11.643 15.095 1.00 2.53 O ATOM 845 OE2 GLU A 55 60.374 11.692 15.367 1.00 2.57 O ATOM 0 H GLU A 55 60.221 8.188 11.735 1.00 0.85 H new ATOM 0 HA GLU A 55 61.679 10.448 10.890 1.00 0.87 H new ATOM 0 HB2 GLU A 55 60.800 9.069 13.290 1.00 1.02 H new ATOM 0 HB3 GLU A 55 62.480 9.506 13.530 1.00 1.02 H new ATOM 0 HG2 GLU A 55 61.769 11.865 12.579 1.00 1.48 H new ATOM 0 HG3 GLU A 55 60.131 11.342 12.917 1.00 1.48 H new ATOM 852 N GLU A 56 63.598 7.858 11.301 1.00 0.88 N ATOM 853 CA GLU A 56 64.998 7.397 11.079 1.00 0.91 C ATOM 854 C GLU A 56 65.345 7.474 9.590 1.00 0.80 C ATOM 855 O GLU A 56 66.397 7.950 9.211 1.00 0.81 O ATOM 856 CB GLU A 56 65.022 5.946 11.562 1.00 1.00 C ATOM 857 CG GLU A 56 65.629 5.885 12.965 1.00 1.44 C ATOM 858 CD GLU A 56 67.071 6.396 12.920 1.00 1.39 C ATOM 859 OE1 GLU A 56 67.545 6.677 11.833 1.00 2.00 O ATOM 860 OE2 GLU A 56 67.675 6.496 13.975 1.00 1.79 O ATOM 0 H GLU A 56 62.925 7.119 11.505 1.00 0.88 H new ATOM 0 HA GLU A 56 65.725 8.012 11.609 1.00 0.91 H new ATOM 0 HB2 GLU A 56 64.011 5.539 11.574 1.00 1.00 H new ATOM 0 HB3 GLU A 56 65.605 5.333 10.875 1.00 1.00 H new ATOM 0 HG2 GLU A 56 65.039 6.489 13.655 1.00 1.44 H new ATOM 0 HG3 GLU A 56 65.606 4.861 13.338 1.00 1.44 H new ATOM 867 N LEU A 57 64.465 7.015 8.741 1.00 0.75 N ATOM 868 CA LEU A 57 64.746 7.069 7.279 1.00 0.70 C ATOM 869 C LEU A 57 65.185 8.481 6.883 1.00 0.67 C ATOM 870 O LEU A 57 66.186 8.667 6.219 1.00 0.71 O ATOM 871 CB LEU A 57 63.420 6.709 6.607 1.00 0.69 C ATOM 872 CG LEU A 57 63.383 5.208 6.323 1.00 1.00 C ATOM 873 CD1 LEU A 57 62.881 4.465 7.562 1.00 1.51 C ATOM 874 CD2 LEU A 57 62.438 4.936 5.151 1.00 1.41 C ATOM 0 H LEU A 57 63.566 6.606 8.997 1.00 0.75 H new ATOM 0 HA LEU A 57 65.547 6.391 6.984 1.00 0.70 H new ATOM 0 HB2 LEU A 57 62.586 6.989 7.251 1.00 0.69 H new ATOM 0 HB3 LEU A 57 63.307 7.268 5.678 1.00 0.69 H new ATOM 0 HG LEU A 57 64.386 4.861 6.073 1.00 1.00 H new ATOM 0 HD11 LEU A 57 62.855 3.394 7.359 1.00 1.51 H new ATOM 0 HD12 LEU A 57 63.552 4.659 8.399 1.00 1.51 H new ATOM 0 HD13 LEU A 57 61.878 4.811 7.813 1.00 1.51 H new ATOM 0 HD21 LEU A 57 62.410 3.866 4.947 1.00 1.41 H new ATOM 0 HD22 LEU A 57 61.436 5.283 5.403 1.00 1.41 H new ATOM 0 HD23 LEU A 57 62.793 5.465 4.267 1.00 1.41 H new ATOM 886 N GLN A 58 64.447 9.477 7.290 1.00 0.68 N ATOM 887 CA GLN A 58 64.827 10.876 6.941 1.00 0.72 C ATOM 888 C GLN A 58 66.253 11.166 7.416 1.00 0.71 C ATOM 889 O GLN A 58 66.995 11.889 6.781 1.00 0.79 O ATOM 890 CB GLN A 58 63.824 11.756 7.687 1.00 0.79 C ATOM 891 CG GLN A 58 62.614 12.026 6.790 1.00 1.09 C ATOM 892 CD GLN A 58 62.792 13.372 6.086 1.00 1.67 C ATOM 893 OE1 GLN A 58 63.887 13.605 5.416 1.00 2.37 O flip ATOM 894 NE2 GLN A 58 61.925 14.222 6.145 1.00 2.20 N flip ATOM 0 H GLN A 58 63.598 9.383 7.848 1.00 0.68 H new ATOM 0 HA GLN A 58 64.806 11.056 5.866 1.00 0.72 H new ATOM 0 HB2 GLN A 58 63.506 11.264 8.606 1.00 0.79 H new ATOM 0 HB3 GLN A 58 64.293 12.697 7.975 1.00 0.79 H new ATOM 0 HG2 GLN A 58 62.509 11.229 6.054 1.00 1.09 H new ATOM 0 HG3 GLN A 58 61.701 12.033 7.385 1.00 1.09 H new ATOM 0 HE21 GLN A 58 61.068 14.041 6.668 1.00 2.20 H new ATOM 0 HE22 GLN A 58 62.054 15.116 5.671 1.00 2.20 H new ATOM 903 N GLU A 59 66.641 10.605 8.528 1.00 0.70 N ATOM 904 CA GLU A 59 68.018 10.844 9.046 1.00 0.72 C ATOM 905 C GLU A 59 69.044 10.120 8.168 1.00 0.73 C ATOM 906 O GLU A 59 70.224 10.406 8.212 1.00 0.75 O ATOM 907 CB GLU A 59 68.016 10.260 10.459 1.00 0.75 C ATOM 908 CG GLU A 59 69.379 10.495 11.113 1.00 1.37 C ATOM 909 CD GLU A 59 69.270 11.636 12.126 1.00 1.66 C ATOM 910 OE1 GLU A 59 68.291 12.362 12.067 1.00 2.02 O ATOM 911 OE2 GLU A 59 70.166 11.765 12.941 1.00 2.42 O ATOM 0 H GLU A 59 66.063 9.990 9.101 1.00 0.70 H new ATOM 0 HA GLU A 59 68.284 11.901 9.042 1.00 0.72 H new ATOM 0 HB2 GLU A 59 67.230 10.725 11.055 1.00 0.75 H new ATOM 0 HB3 GLU A 59 67.798 9.193 10.422 1.00 0.75 H new ATOM 0 HG2 GLU A 59 69.718 9.585 11.609 1.00 1.37 H new ATOM 0 HG3 GLU A 59 70.121 10.739 10.353 1.00 1.37 H new ATOM 918 N MET A 60 68.602 9.187 7.370 1.00 0.79 N ATOM 919 CA MET A 60 69.551 8.447 6.490 1.00 0.84 C ATOM 920 C MET A 60 69.498 9.008 5.067 1.00 0.82 C ATOM 921 O MET A 60 70.478 9.000 4.349 1.00 0.96 O ATOM 922 CB MET A 60 69.065 6.998 6.517 1.00 0.93 C ATOM 923 CG MET A 60 69.761 6.246 7.654 1.00 1.27 C ATOM 924 SD MET A 60 68.537 5.297 8.590 1.00 1.65 S ATOM 925 CE MET A 60 68.459 3.870 7.481 1.00 0.97 C ATOM 0 H MET A 60 67.625 8.905 7.289 1.00 0.79 H new ATOM 0 HA MET A 60 70.584 8.536 6.826 1.00 0.84 H new ATOM 0 HB2 MET A 60 67.984 6.969 6.656 1.00 0.93 H new ATOM 0 HB3 MET A 60 69.277 6.514 5.564 1.00 0.93 H new ATOM 0 HG2 MET A 60 70.522 5.579 7.250 1.00 1.27 H new ATOM 0 HG3 MET A 60 70.271 6.950 8.311 1.00 1.27 H new ATOM 0 HE1 MET A 60 67.748 3.143 7.873 1.00 0.97 H new ATOM 0 HE2 MET A 60 68.137 4.195 6.492 1.00 0.97 H new ATOM 0 HE3 MET A 60 69.445 3.411 7.408 1.00 0.97 H new ATOM 935 N ILE A 61 68.361 9.496 4.655 1.00 0.76 N ATOM 936 CA ILE A 61 68.243 10.058 3.279 1.00 0.78 C ATOM 937 C ILE A 61 68.911 11.434 3.212 1.00 0.77 C ATOM 938 O ILE A 61 69.690 11.714 2.323 1.00 0.82 O ATOM 939 CB ILE A 61 66.739 10.178 3.029 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.146 8.782 2.821 1.00 0.90 C ATOM 941 CG2 ILE A 61 66.494 11.027 1.781 1.00 0.89 C ATOM 942 CD1 ILE A 61 64.702 8.759 3.328 1.00 0.98 C ATOM 0 H ILE A 61 67.507 9.530 5.212 1.00 0.76 H new ATOM 0 HA ILE A 61 68.731 9.432 2.532 1.00 0.78 H new ATOM 0 HB ILE A 61 66.264 10.652 3.888 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.176 8.517 1.764 1.00 0.90 H new ATOM 0 HG13 ILE A 61 66.741 8.040 3.353 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.422 11.112 1.603 1.00 0.89 H new ATOM 0 HG22 ILE A 61 66.917 12.021 1.928 1.00 0.89 H new ATOM 0 HG23 ILE A 61 66.968 10.554 0.921 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.280 7.765 3.180 1.00 0.98 H new ATOM 0 HD12 ILE A 61 64.685 9.006 4.390 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.111 9.490 2.776 1.00 0.98 H new ATOM 954 N ASP A 62 68.611 12.296 4.147 1.00 0.82 N ATOM 955 CA ASP A 62 69.229 13.653 4.137 1.00 0.90 C ATOM 956 C ASP A 62 70.717 13.557 4.484 1.00 0.85 C ATOM 957 O ASP A 62 71.440 14.533 4.437 1.00 0.91 O ATOM 958 CB ASP A 62 68.478 14.438 5.213 1.00 1.03 C ATOM 959 CG ASP A 62 67.893 15.713 4.602 1.00 1.58 C ATOM 960 OD1 ASP A 62 68.321 16.078 3.520 1.00 2.06 O ATOM 961 OD2 ASP A 62 67.026 16.301 5.227 1.00 2.24 O ATOM 0 H ASP A 62 67.965 12.119 4.916 1.00 0.82 H new ATOM 0 HA ASP A 62 69.160 14.132 3.160 1.00 0.90 H new ATOM 0 HB2 ASP A 62 67.681 13.826 5.635 1.00 1.03 H new ATOM 0 HB3 ASP A 62 69.153 14.691 6.031 1.00 1.03 H new ATOM 966 N GLU A 63 71.178 12.389 4.835 1.00 0.84 N ATOM 967 CA GLU A 63 72.619 12.231 5.187 1.00 0.91 C ATOM 968 C GLU A 63 73.351 11.457 4.089 1.00 1.01 C ATOM 969 O GLU A 63 74.552 11.562 3.935 1.00 1.32 O ATOM 970 CB GLU A 63 72.620 11.441 6.496 1.00 0.99 C ATOM 971 CG GLU A 63 72.245 12.372 7.651 1.00 1.35 C ATOM 972 CD GLU A 63 73.115 12.051 8.869 1.00 1.55 C ATOM 973 OE1 GLU A 63 74.305 12.311 8.806 1.00 2.14 O ATOM 974 OE2 GLU A 63 72.576 11.550 9.842 1.00 2.00 O ATOM 0 H GLU A 63 70.621 11.537 4.894 1.00 0.84 H new ATOM 0 HA GLU A 63 73.128 13.189 5.289 1.00 0.91 H new ATOM 0 HB2 GLU A 63 71.912 10.615 6.436 1.00 0.99 H new ATOM 0 HB3 GLU A 63 73.604 11.005 6.670 1.00 0.99 H new ATOM 0 HG2 GLU A 63 72.385 13.411 7.354 1.00 1.35 H new ATOM 0 HG3 GLU A 63 71.191 12.252 7.902 1.00 1.35 H new ATOM 981 N VAL A 64 72.636 10.680 3.322 1.00 0.92 N ATOM 982 CA VAL A 64 73.288 9.901 2.231 1.00 1.07 C ATOM 983 C VAL A 64 72.989 10.546 0.876 1.00 1.13 C ATOM 984 O VAL A 64 73.828 10.595 -0.001 1.00 1.54 O ATOM 985 CB VAL A 64 72.669 8.504 2.321 1.00 1.23 C ATOM 986 CG1 VAL A 64 71.278 8.505 1.680 1.00 2.24 C ATOM 987 CG2 VAL A 64 73.567 7.503 1.589 1.00 1.42 C ATOM 0 H VAL A 64 71.628 10.551 3.404 1.00 0.92 H new ATOM 0 HA VAL A 64 74.373 9.868 2.330 1.00 1.07 H new ATOM 0 HB VAL A 64 72.578 8.219 3.369 1.00 1.23 H new ATOM 0 HG11 VAL A 64 70.845 7.507 1.749 1.00 2.24 H new ATOM 0 HG12 VAL A 64 70.637 9.215 2.202 1.00 2.24 H new ATOM 0 HG13 VAL A 64 71.360 8.793 0.632 1.00 2.24 H new ATOM 0 HG21 VAL A 64 73.128 6.507 1.652 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.659 7.794 0.543 1.00 1.42 H new ATOM 0 HG23 VAL A 64 74.554 7.494 2.051 1.00 1.42 H new ATOM 997 N ASP A 65 71.795 11.038 0.702 1.00 1.00 N ATOM 998 CA ASP A 65 71.432 11.680 -0.595 1.00 1.14 C ATOM 999 C ASP A 65 71.976 13.110 -0.648 1.00 1.45 C ATOM 1000 O ASP A 65 71.305 14.053 -0.278 1.00 1.74 O ATOM 1001 CB ASP A 65 69.904 11.687 -0.619 1.00 1.21 C ATOM 1002 CG ASP A 65 69.417 12.443 -1.857 1.00 2.09 C ATOM 1003 OD1 ASP A 65 69.995 12.243 -2.913 1.00 2.83 O ATOM 1004 OD2 ASP A 65 68.476 13.208 -1.729 1.00 2.63 O ATOM 0 H ASP A 65 71.053 11.024 1.402 1.00 1.00 H new ATOM 0 HA ASP A 65 71.851 11.149 -1.450 1.00 1.14 H new ATOM 0 HB2 ASP A 65 69.525 10.665 -0.631 1.00 1.21 H new ATOM 0 HB3 ASP A 65 69.518 12.159 0.284 1.00 1.21 H new ATOM 1009 N GLU A 66 73.184 13.278 -1.108 1.00 1.86 N ATOM 1010 CA GLU A 66 73.769 14.647 -1.189 1.00 2.47 C ATOM 1011 C GLU A 66 73.229 15.380 -2.419 1.00 2.75 C ATOM 1012 O GLU A 66 73.976 15.908 -3.219 1.00 3.27 O ATOM 1013 CB GLU A 66 75.272 14.426 -1.319 1.00 3.01 C ATOM 1014 CG GLU A 66 75.903 14.364 0.073 1.00 3.52 C ATOM 1015 CD GLU A 66 76.357 15.765 0.490 1.00 4.01 C ATOM 1016 OE1 GLU A 66 75.748 16.722 0.040 1.00 4.48 O ATOM 1017 OE2 GLU A 66 77.305 15.857 1.253 1.00 4.34 O ATOM 0 H GLU A 66 73.793 12.526 -1.432 1.00 1.86 H new ATOM 0 HA GLU A 66 73.519 15.255 -0.320 1.00 2.47 H new ATOM 0 HB2 GLU A 66 75.468 13.500 -1.860 1.00 3.01 H new ATOM 0 HB3 GLU A 66 75.720 15.234 -1.897 1.00 3.01 H new ATOM 0 HG2 GLU A 66 75.184 13.974 0.793 1.00 3.52 H new ATOM 0 HG3 GLU A 66 76.752 13.681 0.069 1.00 3.52 H new ATOM 1024 N ASP A 67 71.938 15.414 -2.573 1.00 2.74 N ATOM 1025 CA ASP A 67 71.339 16.110 -3.747 1.00 3.19 C ATOM 1026 C ASP A 67 69.884 16.475 -3.448 1.00 2.83 C ATOM 1027 O ASP A 67 69.394 17.507 -3.861 1.00 3.27 O ATOM 1028 CB ASP A 67 71.415 15.096 -4.889 1.00 4.15 C ATOM 1029 CG ASP A 67 70.676 15.646 -6.111 1.00 4.87 C ATOM 1030 OD1 ASP A 67 70.159 16.746 -6.019 1.00 5.31 O ATOM 1031 OD2 ASP A 67 70.642 14.957 -7.118 1.00 5.28 O ATOM 0 H ASP A 67 71.266 14.988 -1.934 1.00 2.74 H new ATOM 0 HA ASP A 67 71.858 17.036 -3.993 1.00 3.19 H new ATOM 0 HB2 ASP A 67 72.456 14.894 -5.141 1.00 4.15 H new ATOM 0 HB3 ASP A 67 70.972 14.149 -4.579 1.00 4.15 H new ATOM 1036 N GLY A 68 69.192 15.636 -2.728 1.00 2.35 N ATOM 1037 CA GLY A 68 67.770 15.933 -2.396 1.00 2.67 C ATOM 1038 C GLY A 68 66.852 15.282 -3.431 1.00 2.07 C ATOM 1039 O GLY A 68 65.688 15.615 -3.540 1.00 2.77 O ATOM 0 H GLY A 68 69.550 14.757 -2.355 1.00 2.35 H new ATOM 0 HA2 GLY A 68 67.533 15.559 -1.400 1.00 2.67 H new ATOM 0 HA3 GLY A 68 67.608 17.011 -2.379 1.00 2.67 H new ATOM 1043 N SER A 69 67.364 14.356 -4.194 1.00 1.42 N ATOM 1044 CA SER A 69 66.517 13.685 -5.221 1.00 1.79 C ATOM 1045 C SER A 69 65.378 12.917 -4.545 1.00 1.42 C ATOM 1046 O SER A 69 64.417 12.526 -5.180 1.00 1.97 O ATOM 1047 CB SER A 69 67.458 12.722 -5.943 1.00 2.79 C ATOM 1048 OG SER A 69 68.552 13.452 -6.481 1.00 3.72 O ATOM 0 H SER A 69 68.331 14.035 -4.151 1.00 1.42 H new ATOM 0 HA SER A 69 66.058 14.396 -5.907 1.00 1.79 H new ATOM 0 HB2 SER A 69 67.819 11.960 -5.252 1.00 2.79 H new ATOM 0 HB3 SER A 69 66.925 12.203 -6.740 1.00 2.79 H new ATOM 0 HG SER A 69 69.159 12.838 -6.944 1.00 3.72 H new ATOM 1054 N GLY A 70 65.476 12.698 -3.263 1.00 1.01 N ATOM 1055 CA GLY A 70 64.400 11.957 -2.548 1.00 1.07 C ATOM 1056 C GLY A 70 64.176 10.602 -3.222 1.00 0.84 C ATOM 1057 O GLY A 70 63.081 10.075 -3.229 1.00 0.87 O ATOM 0 H GLY A 70 66.256 13.001 -2.679 1.00 1.01 H new ATOM 0 HA2 GLY A 70 64.675 11.814 -1.503 1.00 1.07 H new ATOM 0 HA3 GLY A 70 63.477 12.537 -2.558 1.00 1.07 H new ATOM 1061 N THR A 71 65.205 10.034 -3.789 1.00 0.70 N ATOM 1062 CA THR A 71 65.049 8.713 -4.463 1.00 0.55 C ATOM 1063 C THR A 71 66.337 7.895 -4.326 1.00 0.54 C ATOM 1064 O THR A 71 67.423 8.387 -4.558 1.00 0.72 O ATOM 1065 CB THR A 71 64.775 9.047 -5.930 1.00 0.60 C ATOM 1066 OG1 THR A 71 65.786 9.921 -6.412 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.409 9.723 -6.056 1.00 0.81 C ATOM 0 H THR A 71 66.146 10.427 -3.815 1.00 0.70 H new ATOM 0 HA THR A 71 64.248 8.117 -4.026 1.00 0.55 H new ATOM 0 HB THR A 71 64.778 8.129 -6.518 1.00 0.60 H new ATOM 0 HG1 THR A 71 66.649 9.671 -6.020 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.216 9.960 -7.102 1.00 0.81 H new ATOM 0 HG22 THR A 71 62.635 9.050 -5.687 1.00 0.81 H new ATOM 0 HG23 THR A 71 63.402 10.641 -5.468 1.00 0.81 H new ATOM 1075 N VAL A 72 66.223 6.650 -3.954 1.00 0.52 N ATOM 1076 CA VAL A 72 67.446 5.803 -3.805 1.00 0.65 C ATOM 1077 C VAL A 72 67.563 4.816 -4.966 1.00 0.56 C ATOM 1078 O VAL A 72 66.580 4.409 -5.556 1.00 0.57 O ATOM 1079 CB VAL A 72 67.287 5.038 -2.485 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.750 5.920 -1.331 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.823 4.643 -2.268 1.00 1.23 C ATOM 0 H VAL A 72 65.341 6.182 -3.747 1.00 0.52 H new ATOM 0 HA VAL A 72 68.346 6.418 -3.806 1.00 0.65 H new ATOM 0 HB VAL A 72 67.893 4.133 -2.527 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.638 5.379 -0.392 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.797 6.186 -1.474 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.146 6.827 -1.301 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.728 4.101 -1.327 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.205 5.540 -2.234 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.493 4.006 -3.088 1.00 1.23 H new ATOM 1091 N ASP A 73 68.762 4.418 -5.286 1.00 0.64 N ATOM 1092 CA ASP A 73 68.960 3.445 -6.394 1.00 0.70 C ATOM 1093 C ASP A 73 69.442 2.114 -5.817 1.00 0.70 C ATOM 1094 O ASP A 73 69.467 1.926 -4.616 1.00 0.71 O ATOM 1095 CB ASP A 73 70.034 4.068 -7.287 1.00 0.85 C ATOM 1096 CG ASP A 73 69.741 5.557 -7.487 1.00 1.25 C ATOM 1097 OD1 ASP A 73 68.654 5.983 -7.129 1.00 1.72 O ATOM 1098 OD2 ASP A 73 70.607 6.248 -7.997 1.00 1.91 O ATOM 0 H ASP A 73 69.618 4.727 -4.825 1.00 0.64 H new ATOM 0 HA ASP A 73 68.044 3.248 -6.951 1.00 0.70 H new ATOM 0 HB2 ASP A 73 71.017 3.939 -6.834 1.00 0.85 H new ATOM 0 HB3 ASP A 73 70.058 3.560 -8.251 1.00 0.85 H new ATOM 1103 N PHE A 74 69.831 1.190 -6.648 1.00 0.81 N ATOM 1104 CA PHE A 74 70.311 -0.116 -6.118 1.00 0.87 C ATOM 1105 C PHE A 74 71.585 0.094 -5.297 1.00 0.76 C ATOM 1106 O PHE A 74 71.975 -0.747 -4.511 1.00 0.74 O ATOM 1107 CB PHE A 74 70.594 -0.972 -7.354 1.00 1.04 C ATOM 1108 CG PHE A 74 70.137 -2.389 -7.101 1.00 1.34 C ATOM 1109 CD1 PHE A 74 70.881 -3.223 -6.258 1.00 2.11 C ATOM 1110 CD2 PHE A 74 68.971 -2.867 -7.708 1.00 2.16 C ATOM 1111 CE1 PHE A 74 70.457 -4.536 -6.022 1.00 3.02 C ATOM 1112 CE2 PHE A 74 68.547 -4.180 -7.472 1.00 3.14 C ATOM 1113 CZ PHE A 74 69.291 -5.014 -6.629 1.00 3.42 C ATOM 0 H PHE A 74 69.838 1.280 -7.664 1.00 0.81 H new ATOM 0 HA PHE A 74 69.583 -0.592 -5.461 1.00 0.87 H new ATOM 0 HB2 PHE A 74 70.076 -0.561 -8.221 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.660 -0.958 -7.583 1.00 1.04 H new ATOM 0 HD1 PHE A 74 71.782 -2.854 -5.790 1.00 2.11 H new ATOM 0 HD2 PHE A 74 68.398 -2.223 -8.359 1.00 2.16 H new ATOM 0 HE1 PHE A 74 71.030 -5.180 -5.371 1.00 3.02 H new ATOM 0 HE2 PHE A 74 67.646 -4.549 -7.940 1.00 3.14 H new ATOM 0 HZ PHE A 74 68.964 -6.027 -6.447 1.00 3.42 H new ATOM 1123 N ASP A 75 72.230 1.215 -5.468 1.00 0.79 N ATOM 1124 CA ASP A 75 73.472 1.487 -4.692 1.00 0.78 C ATOM 1125 C ASP A 75 73.112 2.065 -3.322 1.00 0.71 C ATOM 1126 O ASP A 75 73.558 1.587 -2.297 1.00 0.67 O ATOM 1127 CB ASP A 75 74.244 2.514 -5.522 1.00 0.96 C ATOM 1128 CG ASP A 75 75.276 1.795 -6.394 1.00 1.50 C ATOM 1129 OD1 ASP A 75 74.869 0.991 -7.217 1.00 2.18 O ATOM 1130 OD2 ASP A 75 76.454 2.062 -6.224 1.00 1.99 O ATOM 0 H ASP A 75 71.950 1.955 -6.112 1.00 0.79 H new ATOM 0 HA ASP A 75 74.059 0.585 -4.517 1.00 0.78 H new ATOM 0 HB2 ASP A 75 73.556 3.082 -6.148 1.00 0.96 H new ATOM 0 HB3 ASP A 75 74.741 3.228 -4.865 1.00 0.96 H new ATOM 1135 N GLU A 76 72.299 3.085 -3.295 1.00 0.74 N ATOM 1136 CA GLU A 76 71.903 3.691 -1.992 1.00 0.72 C ATOM 1137 C GLU A 76 70.996 2.728 -1.221 1.00 0.61 C ATOM 1138 O GLU A 76 71.219 2.445 -0.061 1.00 0.60 O ATOM 1139 CB GLU A 76 71.144 4.965 -2.360 1.00 0.82 C ATOM 1140 CG GLU A 76 72.067 5.902 -3.140 1.00 0.96 C ATOM 1141 CD GLU A 76 72.891 6.738 -2.160 1.00 1.36 C ATOM 1142 OE1 GLU A 76 72.292 7.464 -1.382 1.00 2.01 O ATOM 1143 OE2 GLU A 76 74.107 6.640 -2.202 1.00 2.14 O ATOM 0 H GLU A 76 71.891 3.526 -4.120 1.00 0.74 H new ATOM 0 HA GLU A 76 72.762 3.901 -1.354 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.268 4.718 -2.960 1.00 0.82 H new ATOM 0 HB3 GLU A 76 70.784 5.460 -1.458 1.00 0.82 H new ATOM 0 HG2 GLU A 76 72.728 5.324 -3.786 1.00 0.96 H new ATOM 0 HG3 GLU A 76 71.479 6.554 -3.786 1.00 0.96 H new ATOM 1150 N PHE A 77 69.974 2.221 -1.857 1.00 0.60 N ATOM 1151 CA PHE A 77 69.058 1.276 -1.157 1.00 0.54 C ATOM 1152 C PHE A 77 69.866 0.266 -0.336 1.00 0.48 C ATOM 1153 O PHE A 77 69.830 0.270 0.878 1.00 0.55 O ATOM 1154 CB PHE A 77 68.290 0.569 -2.273 1.00 0.61 C ATOM 1155 CG PHE A 77 67.214 -0.301 -1.669 1.00 0.67 C ATOM 1156 CD1 PHE A 77 66.426 0.187 -0.620 1.00 1.30 C ATOM 1157 CD2 PHE A 77 67.004 -1.596 -2.158 1.00 1.52 C ATOM 1158 CE1 PHE A 77 65.428 -0.618 -0.060 1.00 1.38 C ATOM 1159 CE2 PHE A 77 66.006 -2.402 -1.597 1.00 1.78 C ATOM 1160 CZ PHE A 77 65.218 -1.914 -0.548 1.00 1.25 C ATOM 0 H PHE A 77 69.735 2.420 -2.828 1.00 0.60 H new ATOM 0 HA PHE A 77 68.390 1.786 -0.463 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.845 1.303 -2.945 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.971 -0.038 -2.870 1.00 0.61 H new ATOM 0 HD1 PHE A 77 66.589 1.186 -0.243 1.00 1.30 H new ATOM 0 HD2 PHE A 77 67.611 -1.973 -2.967 1.00 1.52 H new ATOM 0 HE1 PHE A 77 64.820 -0.240 0.748 1.00 1.38 H new ATOM 0 HE2 PHE A 77 65.844 -3.401 -1.974 1.00 1.78 H new ATOM 0 HZ PHE A 77 64.449 -2.536 -0.115 1.00 1.25 H new ATOM 1170 N LEU A 78 70.593 -0.598 -0.990 1.00 0.46 N ATOM 1171 CA LEU A 78 71.402 -1.607 -0.246 1.00 0.49 C ATOM 1172 C LEU A 78 72.137 -0.939 0.919 1.00 0.48 C ATOM 1173 O LEU A 78 72.095 -1.405 2.041 1.00 0.54 O ATOM 1174 CB LEU A 78 72.398 -2.150 -1.270 1.00 0.56 C ATOM 1175 CG LEU A 78 71.886 -3.479 -1.827 1.00 0.78 C ATOM 1176 CD1 LEU A 78 72.253 -3.586 -3.308 1.00 1.70 C ATOM 1177 CD2 LEU A 78 72.529 -4.635 -1.057 1.00 0.70 C ATOM 0 H LEU A 78 70.662 -0.650 -2.006 1.00 0.46 H new ATOM 0 HA LEU A 78 70.786 -2.399 0.180 1.00 0.49 H new ATOM 0 HB2 LEU A 78 72.531 -1.432 -2.079 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.374 -2.291 -0.805 1.00 0.56 H new ATOM 0 HG LEU A 78 70.803 -3.527 -1.717 1.00 0.78 H new ATOM 0 HD11 LEU A 78 71.888 -4.533 -3.706 1.00 1.70 H new ATOM 0 HD12 LEU A 78 71.796 -2.762 -3.856 1.00 1.70 H new ATOM 0 HD13 LEU A 78 73.336 -3.539 -3.419 1.00 1.70 H new ATOM 0 HD21 LEU A 78 72.165 -5.583 -1.453 1.00 0.70 H new ATOM 0 HD22 LEU A 78 73.612 -4.588 -1.167 1.00 0.70 H new ATOM 0 HD23 LEU A 78 72.268 -4.559 -0.001 1.00 0.70 H new ATOM 1189 N VAL A 79 72.809 0.150 0.664 1.00 0.46 N ATOM 1190 CA VAL A 79 73.544 0.845 1.760 1.00 0.51 C ATOM 1191 C VAL A 79 72.589 1.161 2.911 1.00 0.53 C ATOM 1192 O VAL A 79 72.764 0.700 4.022 1.00 0.64 O ATOM 1193 CB VAL A 79 74.068 2.135 1.130 1.00 0.54 C ATOM 1194 CG1 VAL A 79 74.502 3.102 2.233 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.267 1.813 0.237 1.00 0.62 C ATOM 0 H VAL A 79 72.881 0.588 -0.254 1.00 0.46 H new ATOM 0 HA VAL A 79 74.350 0.236 2.170 1.00 0.51 H new ATOM 0 HB VAL A 79 73.280 2.594 0.533 1.00 0.54 H new ATOM 0 HG11 VAL A 79 74.876 4.022 1.784 1.00 0.67 H new ATOM 0 HG12 VAL A 79 73.650 3.331 2.873 1.00 0.67 H new ATOM 0 HG13 VAL A 79 75.290 2.643 2.830 1.00 0.67 H new ATOM 0 HG21 VAL A 79 75.642 2.732 -0.213 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.054 1.355 0.836 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.960 1.123 -0.549 1.00 0.62 H new ATOM 1205 N MET A 80 71.577 1.940 2.654 1.00 0.52 N ATOM 1206 CA MET A 80 70.608 2.285 3.733 1.00 0.60 C ATOM 1207 C MET A 80 70.199 1.021 4.494 1.00 0.62 C ATOM 1208 O MET A 80 69.871 1.067 5.663 1.00 0.71 O ATOM 1209 CB MET A 80 69.406 2.891 3.008 1.00 0.66 C ATOM 1210 CG MET A 80 69.607 4.401 2.863 1.00 1.11 C ATOM 1211 SD MET A 80 68.140 5.266 3.475 1.00 1.23 S ATOM 1212 CE MET A 80 67.855 6.292 2.013 1.00 0.86 C ATOM 0 H MET A 80 71.378 2.354 1.743 1.00 0.52 H new ATOM 0 HA MET A 80 71.029 2.975 4.465 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.291 2.433 2.026 1.00 0.66 H new ATOM 0 HB3 MET A 80 68.491 2.687 3.564 1.00 0.66 H new ATOM 0 HG2 MET A 80 70.488 4.717 3.422 1.00 1.11 H new ATOM 0 HG3 MET A 80 69.784 4.657 1.818 1.00 1.11 H new ATOM 0 HE1 MET A 80 68.197 7.308 2.209 1.00 0.86 H new ATOM 0 HE2 MET A 80 68.406 5.881 1.167 1.00 0.86 H new ATOM 0 HE3 MET A 80 66.790 6.306 1.780 1.00 0.86 H new ATOM 1222 N MET A 81 70.217 -0.108 3.839 1.00 0.61 N ATOM 1223 CA MET A 81 69.831 -1.375 4.524 1.00 0.72 C ATOM 1224 C MET A 81 70.992 -1.885 5.382 1.00 0.79 C ATOM 1225 O MET A 81 70.964 -1.804 6.594 1.00 0.91 O ATOM 1226 CB MET A 81 69.524 -2.360 3.396 1.00 0.75 C ATOM 1227 CG MET A 81 68.011 -2.546 3.279 1.00 1.01 C ATOM 1228 SD MET A 81 67.394 -3.403 4.750 1.00 1.71 S ATOM 1229 CE MET A 81 65.923 -4.132 3.988 1.00 1.66 C ATOM 0 H MET A 81 70.482 -0.208 2.859 1.00 0.61 H new ATOM 0 HA MET A 81 68.978 -1.242 5.189 1.00 0.72 H new ATOM 0 HB2 MET A 81 69.929 -1.989 2.455 1.00 0.75 H new ATOM 0 HB3 MET A 81 70.005 -3.318 3.595 1.00 0.75 H new ATOM 0 HG2 MET A 81 67.521 -1.578 3.177 1.00 1.01 H new ATOM 0 HG3 MET A 81 67.772 -3.120 2.384 1.00 1.01 H new ATOM 0 HE1 MET A 81 65.057 -3.953 4.625 1.00 1.66 H new ATOM 0 HE2 MET A 81 65.756 -3.677 3.012 1.00 1.66 H new ATOM 0 HE3 MET A 81 66.069 -5.205 3.868 1.00 1.66 H new ATOM 1239 N VAL A 82 72.015 -2.411 4.763 1.00 0.78 N ATOM 1240 CA VAL A 82 73.175 -2.923 5.547 1.00 0.90 C ATOM 1241 C VAL A 82 73.617 -1.880 6.576 1.00 0.94 C ATOM 1242 O VAL A 82 74.202 -2.203 7.591 1.00 1.13 O ATOM 1243 CB VAL A 82 74.276 -3.164 4.516 1.00 0.98 C ATOM 1244 CG1 VAL A 82 73.855 -4.289 3.570 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.508 -1.884 3.710 1.00 1.38 C ATOM 0 H VAL A 82 72.097 -2.508 3.751 1.00 0.78 H new ATOM 0 HA VAL A 82 72.933 -3.831 6.100 1.00 0.90 H new ATOM 0 HB VAL A 82 75.196 -3.445 5.028 1.00 0.98 H new ATOM 0 HG11 VAL A 82 74.642 -4.460 2.835 1.00 1.83 H new ATOM 0 HG12 VAL A 82 73.688 -5.202 4.142 1.00 1.83 H new ATOM 0 HG13 VAL A 82 72.935 -4.008 3.058 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.294 -2.055 2.974 1.00 1.38 H new ATOM 0 HG22 VAL A 82 73.587 -1.604 3.199 1.00 1.38 H new ATOM 0 HG23 VAL A 82 74.809 -1.080 4.382 1.00 1.38 H new ATOM 1255 N ARG A 83 73.342 -0.630 6.321 1.00 0.84 N ATOM 1256 CA ARG A 83 73.745 0.433 7.285 1.00 0.93 C ATOM 1257 C ARG A 83 72.907 0.334 8.561 1.00 0.93 C ATOM 1258 O ARG A 83 73.370 0.627 9.646 1.00 1.23 O ATOM 1259 CB ARG A 83 73.465 1.751 6.562 1.00 0.95 C ATOM 1260 CG ARG A 83 73.780 2.922 7.494 1.00 1.53 C ATOM 1261 CD ARG A 83 74.900 3.772 6.887 1.00 1.50 C ATOM 1262 NE ARG A 83 75.387 4.622 8.007 1.00 1.75 N ATOM 1263 CZ ARG A 83 76.387 4.218 8.744 1.00 2.02 C ATOM 1264 NH1 ARG A 83 76.708 2.954 8.772 1.00 2.44 N ATOM 1265 NH2 ARG A 83 77.065 5.080 9.451 1.00 2.58 N ATOM 0 H ARG A 83 72.856 -0.299 5.488 1.00 0.84 H new ATOM 0 HA ARG A 83 74.790 0.345 7.583 1.00 0.93 H new ATOM 0 HB2 ARG A 83 74.071 1.818 5.659 1.00 0.95 H new ATOM 0 HB3 ARG A 83 72.422 1.792 6.249 1.00 0.95 H new ATOM 0 HG2 ARG A 83 72.888 3.531 7.645 1.00 1.53 H new ATOM 0 HG3 ARG A 83 74.081 2.550 8.473 1.00 1.53 H new ATOM 0 HD2 ARG A 83 75.699 3.146 6.490 1.00 1.50 H new ATOM 0 HD3 ARG A 83 74.531 4.380 6.061 1.00 1.50 H new ATOM 0 HE ARG A 83 74.941 5.519 8.199 1.00 1.75 H new ATOM 0 HH11 ARG A 83 76.178 2.281 8.218 1.00 2.44 H new ATOM 0 HH12 ARG A 83 77.489 2.639 9.348 1.00 2.44 H new ATOM 0 HH21 ARG A 83 76.814 6.068 9.428 1.00 2.58 H new ATOM 0 HH22 ARG A 83 77.846 4.765 10.027 1.00 2.58 H new ATOM 1279 N CYS A 84 71.676 -0.081 8.441 1.00 0.81 N ATOM 1280 CA CYS A 84 70.808 -0.203 9.647 1.00 0.94 C ATOM 1281 C CYS A 84 71.106 -1.511 10.382 1.00 1.01 C ATOM 1282 O CYS A 84 71.572 -1.512 11.505 1.00 1.67 O ATOM 1283 CB CYS A 84 69.378 -0.204 9.107 1.00 1.20 C ATOM 1284 SG CYS A 84 68.214 -0.012 10.479 1.00 1.56 S ATOM 0 H CYS A 84 71.233 -0.341 7.560 1.00 0.81 H new ATOM 0 HA CYS A 84 70.974 0.605 10.359 1.00 0.94 H new ATOM 0 HB2 CYS A 84 69.248 0.607 8.390 1.00 1.20 H new ATOM 0 HB3 CYS A 84 69.179 -1.135 8.575 1.00 1.20 H new ATOM 0 HG CYS A 84 66.998 -0.011 10.019 1.00 1.56 H new ATOM 1290 N MET A 85 70.843 -2.627 9.759 1.00 1.25 N ATOM 1291 CA MET A 85 71.112 -3.934 10.422 1.00 1.43 C ATOM 1292 C MET A 85 72.532 -3.955 10.994 1.00 1.78 C ATOM 1293 O MET A 85 72.830 -4.687 11.916 1.00 2.66 O ATOM 1294 CB MET A 85 70.965 -4.978 9.315 1.00 1.49 C ATOM 1295 CG MET A 85 71.900 -4.629 8.156 1.00 1.71 C ATOM 1296 SD MET A 85 72.499 -6.153 7.384 1.00 1.93 S ATOM 1297 CE MET A 85 71.118 -6.387 6.238 1.00 1.59 C ATOM 0 H MET A 85 70.453 -2.690 8.819 1.00 1.25 H new ATOM 0 HA MET A 85 70.432 -4.123 11.253 1.00 1.43 H new ATOM 0 HB2 MET A 85 71.202 -5.969 9.702 1.00 1.49 H new ATOM 0 HB3 MET A 85 69.933 -5.011 8.966 1.00 1.49 H new ATOM 0 HG2 MET A 85 71.374 -4.019 7.422 1.00 1.71 H new ATOM 0 HG3 MET A 85 72.741 -4.037 8.518 1.00 1.71 H new ATOM 0 HE1 MET A 85 71.283 -7.289 5.649 1.00 1.59 H new ATOM 0 HE2 MET A 85 70.190 -6.486 6.802 1.00 1.59 H new ATOM 0 HE3 MET A 85 71.048 -5.527 5.572 1.00 1.59 H new ATOM 1307 N LYS A 86 73.412 -3.159 10.450 1.00 1.64 N ATOM 1308 CA LYS A 86 74.812 -3.138 10.963 1.00 2.09 C ATOM 1309 C LYS A 86 75.303 -4.566 11.208 1.00 1.80 C ATOM 1310 O LYS A 86 74.886 -5.499 10.550 1.00 2.13 O ATOM 1311 CB LYS A 86 74.742 -2.361 12.277 1.00 2.91 C ATOM 1312 CG LYS A 86 75.970 -1.457 12.403 1.00 3.84 C ATOM 1313 CD LYS A 86 75.751 -0.180 11.591 1.00 4.67 C ATOM 1314 CE LYS A 86 75.533 0.999 12.541 1.00 5.16 C ATOM 1315 NZ LYS A 86 75.919 2.204 11.753 1.00 6.26 N ATOM 0 H LYS A 86 73.223 -2.524 9.675 1.00 1.64 H new ATOM 0 HA LYS A 86 75.505 -2.680 10.257 1.00 2.09 H new ATOM 0 HB2 LYS A 86 73.832 -1.762 12.309 1.00 2.91 H new ATOM 0 HB3 LYS A 86 74.699 -3.052 13.119 1.00 2.91 H new ATOM 0 HG2 LYS A 86 76.146 -1.209 13.450 1.00 3.84 H new ATOM 0 HG3 LYS A 86 76.857 -1.980 12.046 1.00 3.84 H new ATOM 0 HD2 LYS A 86 76.613 0.009 10.952 1.00 4.67 H new ATOM 0 HD3 LYS A 86 74.888 -0.297 10.936 1.00 4.67 H new ATOM 0 HE2 LYS A 86 74.495 1.056 12.867 1.00 5.16 H new ATOM 0 HE3 LYS A 86 76.144 0.901 13.438 1.00 5.16 H new ATOM 0 HZ1 LYS A 86 75.797 3.055 12.338 1.00 6.26 H new ATOM 0 HZ2 LYS A 86 76.914 2.124 11.462 1.00 6.26 H new ATOM 0 HZ3 LYS A 86 75.316 2.275 10.909 1.00 6.26 H new ATOM 1329 N ASP A 87 76.185 -4.747 12.152 1.00 2.28 N ATOM 1330 CA ASP A 87 76.701 -6.117 12.440 1.00 2.97 C ATOM 1331 C ASP A 87 76.594 -6.415 13.937 1.00 3.59 C ATOM 1332 O ASP A 87 77.506 -6.942 14.542 1.00 4.32 O ATOM 1333 CB ASP A 87 78.165 -6.089 12.000 1.00 3.76 C ATOM 1334 CG ASP A 87 78.621 -7.507 11.654 1.00 4.49 C ATOM 1335 OD1 ASP A 87 78.600 -8.348 12.538 1.00 5.14 O ATOM 1336 OD2 ASP A 87 78.983 -7.730 10.511 1.00 4.78 O ATOM 0 H ASP A 87 76.571 -4.006 12.737 1.00 2.28 H new ATOM 0 HA ASP A 87 76.136 -6.891 11.921 1.00 2.97 H new ATOM 0 HB2 ASP A 87 78.283 -5.436 11.135 1.00 3.76 H new ATOM 0 HB3 ASP A 87 78.787 -5.680 12.796 1.00 3.76 H new ATOM 1341 N ASP A 88 75.485 -6.081 14.539 1.00 3.80 N ATOM 1342 CA ASP A 88 75.319 -6.345 15.997 1.00 4.81 C ATOM 1343 C ASP A 88 73.974 -7.024 16.262 1.00 5.29 C ATOM 1344 O ASP A 88 72.995 -6.768 15.589 1.00 5.56 O ATOM 1345 CB ASP A 88 75.363 -4.965 16.654 1.00 5.52 C ATOM 1346 CG ASP A 88 75.816 -5.106 18.109 1.00 6.22 C ATOM 1347 OD1 ASP A 88 75.069 -5.672 18.890 1.00 6.55 O ATOM 1348 OD2 ASP A 88 76.903 -4.645 18.416 1.00 6.70 O ATOM 0 H ASP A 88 74.687 -5.637 14.085 1.00 3.80 H new ATOM 0 HA ASP A 88 76.090 -7.008 16.388 1.00 4.81 H new ATOM 0 HB2 ASP A 88 76.047 -4.314 16.111 1.00 5.52 H new ATOM 0 HB3 ASP A 88 74.378 -4.499 16.612 1.00 5.52 H new ATOM 1353 N SER A 89 73.918 -7.890 17.237 1.00 5.81 N ATOM 1354 CA SER A 89 72.635 -8.585 17.544 1.00 6.66 C ATOM 1355 C SER A 89 72.223 -9.478 16.370 1.00 7.11 C ATOM 1356 O SER A 89 72.673 -9.218 15.267 1.00 7.53 O ATOM 1357 CB SER A 89 71.616 -7.464 17.748 1.00 7.31 C ATOM 1358 OG SER A 89 70.986 -7.628 19.012 1.00 7.59 O ATOM 1359 OXT SER A 89 71.464 -10.406 16.595 1.00 7.31 O ATOM 0 H SER A 89 74.704 -8.146 17.834 1.00 5.81 H new ATOM 0 HA SER A 89 72.714 -9.229 18.420 1.00 6.66 H new ATOM 0 HB2 SER A 89 72.110 -6.494 17.698 1.00 7.31 H new ATOM 0 HB3 SER A 89 70.872 -7.484 16.952 1.00 7.31 H new ATOM 0 HG SER A 89 70.333 -6.910 19.148 1.00 7.59 H new TER 1365 SER A 89