USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 661 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= -0.143 (180deg=-0.951) USER MOD Single : A 5 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 6 LYS NZ :NH3+ -113:sc= -0.582 (180deg=-3.95!) USER MOD Single : A 11 GLN : amide:sc= -0.052 X(o=-0.052,f=-0.14) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 16 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= -0.329 (180deg=-1.57) USER MOD Single : A 18 ASN : amide:sc= -0.725 K(o=-0.73,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 170:sc= -0.407 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.779 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0.504 (180deg=0.497) USER MOD Single : A 45 MET CE :methyl 172:sc= -0.294 (180deg=-0.475) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.569 K(o=-0.57,f=-1.3) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 58 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.024) USER MOD Single : A 60 MET CE :methyl -129:sc= -0.104 (180deg=-0.961) USER MOD Single : A 69 SER OG : rot -87:sc= 1.32 USER MOD Single : A 71 THR OG1 : rot -150:sc= -0.723 USER MOD Single : A 80 MET CE :methyl 153:sc= -1.42 (180deg=-2.55) USER MOD Single : A 81 MET CE :methyl -108:sc= -0.167 (180deg=-0.732) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -119:sc= -0.0849 (180deg=-1.46) USER MOD Single : A 86 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00872) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.982 -0.106 0.476 1.00 34.42 N ATOM 2 CA MET A 1 1.678 -0.040 -0.803 1.00 61.13 C ATOM 3 C MET A 1 2.990 -0.816 -0.749 1.00 23.12 C ATOM 4 O MET A 1 3.613 -0.927 0.307 1.00 21.24 O ATOM 5 CB MET A 1 1.949 1.416 -1.186 1.00 52.20 C ATOM 6 CG MET A 1 2.772 2.172 -0.156 1.00 10.31 C ATOM 7 SD MET A 1 4.542 2.093 -0.488 1.00 5.33 S ATOM 8 CE MET A 1 5.206 2.663 1.076 1.00 53.05 C ATOM 0 H1 MET A 1 0.620 0.837 0.723 1.00 34.42 H new ATOM 0 H2 MET A 1 0.188 -0.774 0.405 1.00 34.42 H new ATOM 0 H3 MET A 1 1.641 -0.428 1.214 1.00 34.42 H new ATOM 0 HA MET A 1 1.039 -0.494 -1.560 1.00 61.13 H new ATOM 0 HB2 MET A 1 2.469 1.440 -2.144 1.00 52.20 H new ATOM 0 HB3 MET A 1 0.998 1.929 -1.327 1.00 52.20 H new ATOM 0 HG2 MET A 1 2.456 3.215 -0.138 1.00 10.31 H new ATOM 0 HG3 MET A 1 2.573 1.762 0.834 1.00 10.31 H new ATOM 0 HE1 MET A 1 6.295 2.670 1.028 1.00 53.05 H new ATOM 0 HE2 MET A 1 4.845 3.671 1.279 1.00 53.05 H new ATOM 0 HE3 MET A 1 4.882 1.995 1.874 1.00 53.05 H new ATOM 18 N ASP A 2 3.404 -1.351 -1.892 1.00 41.22 N ATOM 19 CA ASP A 2 4.643 -2.116 -1.974 1.00 51.14 C ATOM 20 C ASP A 2 5.608 -1.482 -2.971 1.00 2.41 C ATOM 21 O ASP A 2 5.413 -1.573 -4.183 1.00 42.41 O ATOM 22 CB ASP A 2 4.349 -3.561 -2.380 1.00 32.15 C ATOM 23 CG ASP A 2 4.050 -4.448 -1.186 1.00 44.53 C ATOM 24 OD1 ASP A 2 3.794 -3.903 -0.092 1.00 32.22 O ATOM 25 OD2 ASP A 2 4.072 -5.685 -1.347 1.00 65.52 O ATOM 0 H ASP A 2 2.900 -1.269 -2.775 1.00 41.22 H new ATOM 0 HA ASP A 2 5.110 -2.111 -0.989 1.00 51.14 H new ATOM 0 HB2 ASP A 2 3.500 -3.578 -3.063 1.00 32.15 H new ATOM 0 HB3 ASP A 2 5.204 -3.964 -2.923 1.00 32.15 H new ATOM 30 N ASP A 3 6.648 -0.839 -2.452 1.00 2.42 N ATOM 31 CA ASP A 3 7.644 -0.189 -3.296 1.00 3.22 C ATOM 32 C ASP A 3 8.373 -1.211 -4.162 1.00 73.35 C ATOM 33 O ASP A 3 8.900 -0.877 -5.224 1.00 13.42 O ATOM 34 CB ASP A 3 8.650 0.578 -2.436 1.00 41.41 C ATOM 35 CG ASP A 3 9.344 -0.312 -1.424 1.00 44.22 C ATOM 36 OD1 ASP A 3 8.761 -0.552 -0.347 1.00 11.23 O ATOM 37 OD2 ASP A 3 10.472 -0.768 -1.709 1.00 52.24 O ATOM 0 H ASP A 3 6.823 -0.754 -1.451 1.00 2.42 H new ATOM 0 HA ASP A 3 7.127 0.513 -3.951 1.00 3.22 H new ATOM 0 HB2 ASP A 3 9.397 1.041 -3.081 1.00 41.41 H new ATOM 0 HB3 ASP A 3 8.136 1.385 -1.914 1.00 41.41 H new ATOM 42 N ILE A 4 8.399 -2.458 -3.702 1.00 52.55 N ATOM 43 CA ILE A 4 9.063 -3.528 -4.436 1.00 35.22 C ATOM 44 C ILE A 4 8.438 -3.720 -5.814 1.00 2.22 C ATOM 45 O ILE A 4 9.116 -4.110 -6.765 1.00 53.21 O ATOM 46 CB ILE A 4 9.000 -4.861 -3.666 1.00 55.23 C ATOM 47 CG1 ILE A 4 9.643 -5.980 -4.487 1.00 43.14 C ATOM 48 CG2 ILE A 4 7.558 -5.208 -3.326 1.00 30.20 C ATOM 49 CD1 ILE A 4 10.452 -6.951 -3.656 1.00 1.20 C ATOM 0 H ILE A 4 7.968 -2.752 -2.825 1.00 52.55 H new ATOM 0 HA ILE A 4 10.106 -3.232 -4.551 1.00 35.22 H new ATOM 0 HB ILE A 4 9.557 -4.753 -2.735 1.00 55.23 H new ATOM 0 HG12 ILE A 4 8.862 -6.528 -5.014 1.00 43.14 H new ATOM 0 HG13 ILE A 4 10.289 -5.538 -5.246 1.00 43.14 H new ATOM 0 HG21 ILE A 4 7.530 -6.152 -2.782 1.00 30.20 H new ATOM 0 HG22 ILE A 4 7.130 -4.420 -2.707 1.00 30.20 H new ATOM 0 HG23 ILE A 4 6.980 -5.301 -4.245 1.00 30.20 H new ATOM 0 HD11 ILE A 4 10.878 -7.717 -4.304 1.00 1.20 H new ATOM 0 HD12 ILE A 4 11.255 -6.415 -3.150 1.00 1.20 H new ATOM 0 HD13 ILE A 4 9.806 -7.421 -2.914 1.00 1.20 H new ATOM 61 N TYR A 5 7.143 -3.441 -5.914 1.00 63.33 N ATOM 62 CA TYR A 5 6.427 -3.583 -7.176 1.00 74.50 C ATOM 63 C TYR A 5 6.581 -2.332 -8.034 1.00 44.25 C ATOM 64 O TYR A 5 6.618 -2.407 -9.263 1.00 22.02 O ATOM 65 CB TYR A 5 4.944 -3.857 -6.917 1.00 22.43 C ATOM 66 CG TYR A 5 4.682 -5.189 -6.250 1.00 1.11 C ATOM 67 CD1 TYR A 5 5.334 -6.340 -6.673 1.00 21.51 C ATOM 68 CD2 TYR A 5 3.783 -5.295 -5.196 1.00 11.11 C ATOM 69 CE1 TYR A 5 5.097 -7.559 -6.067 1.00 20.00 C ATOM 70 CE2 TYR A 5 3.541 -6.509 -4.583 1.00 34.10 C ATOM 71 CZ TYR A 5 4.200 -7.638 -5.022 1.00 73.25 C ATOM 72 OH TYR A 5 3.962 -8.850 -4.415 1.00 72.03 O ATOM 0 H TYR A 5 6.568 -3.115 -5.137 1.00 63.33 H new ATOM 0 HA TYR A 5 6.858 -4.427 -7.715 1.00 74.50 H new ATOM 0 HB2 TYR A 5 4.540 -3.061 -6.291 1.00 22.43 H new ATOM 0 HB3 TYR A 5 4.406 -3.822 -7.864 1.00 22.43 H new ATOM 0 HD1 TYR A 5 6.038 -6.281 -7.490 1.00 21.51 H new ATOM 0 HD2 TYR A 5 3.264 -4.413 -4.850 1.00 11.11 H new ATOM 0 HE1 TYR A 5 5.611 -8.445 -6.410 1.00 20.00 H new ATOM 0 HE2 TYR A 5 2.840 -6.574 -3.764 1.00 34.10 H new ATOM 0 HH TYR A 5 3.305 -8.733 -3.697 1.00 72.03 H new ATOM 82 N LYS A 6 6.672 -1.180 -7.378 1.00 43.03 N ATOM 83 CA LYS A 6 6.825 0.090 -8.078 1.00 62.13 C ATOM 84 C LYS A 6 8.178 0.166 -8.778 1.00 64.12 C ATOM 85 O LYS A 6 8.300 0.754 -9.852 1.00 51.22 O ATOM 86 CB LYS A 6 6.679 1.257 -7.099 1.00 25.43 C ATOM 87 CG LYS A 6 5.550 1.075 -6.100 1.00 32.41 C ATOM 88 CD LYS A 6 4.259 0.663 -6.787 1.00 73.02 C ATOM 89 CE LYS A 6 3.789 1.723 -7.772 1.00 63.43 C ATOM 90 NZ LYS A 6 2.312 1.906 -7.727 1.00 42.32 N ATOM 0 H LYS A 6 6.642 -1.100 -6.362 1.00 43.03 H new ATOM 0 HA LYS A 6 6.041 0.157 -8.832 1.00 62.13 H new ATOM 0 HB2 LYS A 6 7.616 1.385 -6.557 1.00 25.43 H new ATOM 0 HB3 LYS A 6 6.510 2.174 -7.663 1.00 25.43 H new ATOM 0 HG2 LYS A 6 5.830 0.319 -5.367 1.00 32.41 H new ATOM 0 HG3 LYS A 6 5.392 2.005 -5.554 1.00 32.41 H new ATOM 0 HD2 LYS A 6 4.410 -0.281 -7.311 1.00 73.02 H new ATOM 0 HD3 LYS A 6 3.486 0.492 -6.038 1.00 73.02 H new ATOM 0 HE2 LYS A 6 4.279 2.670 -7.547 1.00 63.43 H new ATOM 0 HE3 LYS A 6 4.089 1.440 -8.781 1.00 63.43 H new ATOM 0 HZ1 LYS A 6 1.895 1.584 -8.623 1.00 42.32 H new ATOM 0 HZ2 LYS A 6 1.917 1.350 -6.942 1.00 42.32 H new ATOM 0 HZ3 LYS A 6 2.091 2.912 -7.584 1.00 42.32 H new ATOM 104 N ALA A 7 9.192 -0.434 -8.163 1.00 2.01 N ATOM 105 CA ALA A 7 10.535 -0.437 -8.729 1.00 44.10 C ATOM 106 C ALA A 7 10.596 -1.287 -9.994 1.00 3.05 C ATOM 107 O ALA A 7 11.272 -0.932 -10.959 1.00 71.41 O ATOM 108 CB ALA A 7 11.539 -0.941 -7.703 1.00 5.00 C ATOM 0 H ALA A 7 9.109 -0.924 -7.272 1.00 2.01 H new ATOM 0 HA ALA A 7 10.791 0.588 -8.999 1.00 44.10 H new ATOM 0 HB1 ALA A 7 12.538 -0.938 -8.139 1.00 5.00 H new ATOM 0 HB2 ALA A 7 11.523 -0.291 -6.828 1.00 5.00 H new ATOM 0 HB3 ALA A 7 11.276 -1.956 -7.405 1.00 5.00 H new ATOM 114 N ALA A 8 9.887 -2.411 -9.980 1.00 52.44 N ATOM 115 CA ALA A 8 9.860 -3.310 -11.127 1.00 33.42 C ATOM 116 C ALA A 8 8.883 -2.817 -12.189 1.00 20.11 C ATOM 117 O ALA A 8 9.142 -2.933 -13.387 1.00 2.02 O ATOM 118 CB ALA A 8 9.493 -4.719 -10.684 1.00 22.05 C ATOM 0 H ALA A 8 9.324 -2.720 -9.188 1.00 52.44 H new ATOM 0 HA ALA A 8 10.857 -3.326 -11.568 1.00 33.42 H new ATOM 0 HB1 ALA A 8 9.476 -5.380 -11.550 1.00 22.05 H new ATOM 0 HB2 ALA A 8 10.231 -5.079 -9.967 1.00 22.05 H new ATOM 0 HB3 ALA A 8 8.508 -4.709 -10.217 1.00 22.05 H new ATOM 124 N VAL A 9 7.758 -2.267 -11.742 1.00 44.23 N ATOM 125 CA VAL A 9 6.743 -1.755 -12.655 1.00 33.33 C ATOM 126 C VAL A 9 7.217 -0.482 -13.347 1.00 35.14 C ATOM 127 O VAL A 9 6.825 -0.197 -14.478 1.00 12.45 O ATOM 128 CB VAL A 9 5.422 -1.465 -11.918 1.00 75.01 C ATOM 129 CG1 VAL A 9 5.452 -0.079 -11.293 1.00 2.15 C ATOM 130 CG2 VAL A 9 4.241 -1.605 -12.867 1.00 40.44 C ATOM 0 H VAL A 9 7.527 -2.165 -10.754 1.00 44.23 H new ATOM 0 HA VAL A 9 6.571 -2.528 -13.404 1.00 33.33 H new ATOM 0 HB VAL A 9 5.305 -2.196 -11.118 1.00 75.01 H new ATOM 0 HG11 VAL A 9 4.510 0.108 -10.777 1.00 2.15 H new ATOM 0 HG12 VAL A 9 6.275 -0.019 -10.580 1.00 2.15 H new ATOM 0 HG13 VAL A 9 5.593 0.669 -12.073 1.00 2.15 H new ATOM 0 HG21 VAL A 9 3.316 -1.397 -12.330 1.00 40.44 H new ATOM 0 HG22 VAL A 9 4.350 -0.898 -13.690 1.00 40.44 H new ATOM 0 HG23 VAL A 9 4.210 -2.620 -13.262 1.00 40.44 H new ATOM 140 N GLU A 10 8.062 0.279 -12.659 1.00 23.10 N ATOM 141 CA GLU A 10 8.589 1.523 -13.208 1.00 63.32 C ATOM 142 C GLU A 10 9.606 1.243 -14.311 1.00 25.42 C ATOM 143 O GLU A 10 9.762 2.034 -15.240 1.00 63.12 O ATOM 144 CB GLU A 10 9.236 2.360 -12.103 1.00 42.42 C ATOM 145 CG GLU A 10 8.251 3.239 -11.350 1.00 24.53 C ATOM 146 CD GLU A 10 8.525 4.718 -11.539 1.00 62.14 C ATOM 147 OE1 GLU A 10 8.234 5.239 -12.637 1.00 33.55 O ATOM 148 OE2 GLU A 10 9.031 5.355 -10.592 1.00 32.53 O ATOM 0 H GLU A 10 8.396 0.056 -11.721 1.00 23.10 H new ATOM 0 HA GLU A 10 7.758 2.082 -13.638 1.00 63.32 H new ATOM 0 HB2 GLU A 10 9.730 1.694 -11.396 1.00 42.42 H new ATOM 0 HB3 GLU A 10 10.010 2.989 -12.542 1.00 42.42 H new ATOM 0 HG2 GLU A 10 7.239 3.015 -11.687 1.00 24.53 H new ATOM 0 HG3 GLU A 10 8.294 2.998 -10.288 1.00 24.53 H new ATOM 155 N GLN A 11 10.296 0.112 -14.199 1.00 34.35 N ATOM 156 CA GLN A 11 11.299 -0.272 -15.185 1.00 33.12 C ATOM 157 C GLN A 11 10.667 -1.065 -16.324 1.00 34.21 C ATOM 158 O GLN A 11 11.367 -1.645 -17.154 1.00 65.23 O ATOM 159 CB GLN A 11 12.404 -1.098 -14.524 1.00 71.14 C ATOM 160 CG GLN A 11 11.896 -2.357 -13.839 1.00 42.54 C ATOM 161 CD GLN A 11 13.017 -3.205 -13.272 1.00 61.01 C ATOM 162 OE1 GLN A 11 13.440 -4.186 -13.885 1.00 11.11 O ATOM 163 NE2 GLN A 11 13.506 -2.831 -12.095 1.00 74.23 N ATOM 0 H GLN A 11 10.179 -0.554 -13.435 1.00 34.35 H new ATOM 0 HA GLN A 11 11.733 0.638 -15.598 1.00 33.12 H new ATOM 0 HB2 GLN A 11 13.139 -1.377 -15.279 1.00 71.14 H new ATOM 0 HB3 GLN A 11 12.920 -0.478 -13.791 1.00 71.14 H new ATOM 0 HG2 GLN A 11 11.214 -2.079 -13.036 1.00 42.54 H new ATOM 0 HG3 GLN A 11 11.323 -2.949 -14.553 1.00 42.54 H new ATOM 0 HE21 GLN A 11 13.126 -2.011 -11.622 1.00 74.23 H new ATOM 0 HE22 GLN A 11 14.262 -3.363 -11.664 1.00 74.23 H new ATOM 172 N LEU A 12 9.339 -1.087 -16.357 1.00 52.13 N ATOM 173 CA LEU A 12 8.611 -1.810 -17.395 1.00 3.51 C ATOM 174 C LEU A 12 8.766 -1.122 -18.748 1.00 30.13 C ATOM 175 O LEU A 12 9.413 -0.080 -18.857 1.00 12.20 O ATOM 176 CB LEU A 12 7.130 -1.913 -17.029 1.00 14.52 C ATOM 177 CG LEU A 12 6.764 -2.991 -16.008 1.00 52.31 C ATOM 178 CD1 LEU A 12 5.298 -2.880 -15.617 1.00 23.20 C ATOM 179 CD2 LEU A 12 7.067 -4.375 -16.563 1.00 12.03 C ATOM 0 H LEU A 12 8.744 -0.613 -15.677 1.00 52.13 H new ATOM 0 HA LEU A 12 9.031 -2.813 -17.468 1.00 3.51 H new ATOM 0 HB2 LEU A 12 6.804 -0.948 -16.641 1.00 14.52 H new ATOM 0 HB3 LEU A 12 6.563 -2.098 -17.941 1.00 14.52 H new ATOM 0 HG LEU A 12 7.369 -2.839 -15.114 1.00 52.31 H new ATOM 0 HD11 LEU A 12 5.056 -3.655 -14.890 1.00 23.20 H new ATOM 0 HD12 LEU A 12 5.112 -1.900 -15.178 1.00 23.20 H new ATOM 0 HD13 LEU A 12 4.675 -3.006 -16.502 1.00 23.20 H new ATOM 0 HD21 LEU A 12 6.801 -5.130 -15.823 1.00 12.03 H new ATOM 0 HD22 LEU A 12 6.488 -4.537 -17.472 1.00 12.03 H new ATOM 0 HD23 LEU A 12 8.130 -4.451 -16.792 1.00 12.03 H new ATOM 191 N THR A 13 8.166 -1.711 -19.777 1.00 60.54 N ATOM 192 CA THR A 13 8.236 -1.156 -21.123 1.00 20.00 C ATOM 193 C THR A 13 7.143 -0.118 -21.347 1.00 14.33 C ATOM 194 O THR A 13 6.130 -0.109 -20.647 1.00 25.00 O ATOM 195 CB THR A 13 8.109 -2.257 -22.193 1.00 23.14 C ATOM 196 OG1 THR A 13 7.100 -3.198 -21.810 1.00 25.45 O ATOM 197 CG2 THR A 13 9.435 -2.978 -22.387 1.00 52.32 C ATOM 0 H THR A 13 7.626 -2.573 -19.704 1.00 60.54 H new ATOM 0 HA THR A 13 9.212 -0.679 -21.217 1.00 20.00 H new ATOM 0 HB THR A 13 7.828 -1.787 -23.135 1.00 23.14 H new ATOM 0 HG1 THR A 13 7.024 -3.894 -22.496 1.00 25.45 H new ATOM 0 HG21 THR A 13 9.321 -3.751 -23.147 1.00 52.32 H new ATOM 0 HG22 THR A 13 10.194 -2.264 -22.707 1.00 52.32 H new ATOM 0 HG23 THR A 13 9.741 -3.436 -21.447 1.00 52.32 H new ATOM 205 N GLU A 14 7.354 0.755 -22.327 1.00 15.43 N ATOM 206 CA GLU A 14 6.384 1.798 -22.642 1.00 1.24 C ATOM 207 C GLU A 14 5.049 1.191 -23.062 1.00 32.20 C ATOM 208 O GLU A 14 3.986 1.702 -22.711 1.00 73.44 O ATOM 209 CB GLU A 14 6.918 2.703 -23.754 1.00 61.22 C ATOM 210 CG GLU A 14 8.260 3.339 -23.430 1.00 73.54 C ATOM 211 CD GLU A 14 8.691 4.353 -24.471 1.00 52.35 C ATOM 212 OE1 GLU A 14 8.141 5.474 -24.472 1.00 14.11 O ATOM 213 OE2 GLU A 14 9.579 4.026 -25.286 1.00 23.21 O ATOM 0 H GLU A 14 8.187 0.761 -22.916 1.00 15.43 H new ATOM 0 HA GLU A 14 6.225 2.394 -21.743 1.00 1.24 H new ATOM 0 HB2 GLU A 14 7.013 2.121 -24.670 1.00 61.22 H new ATOM 0 HB3 GLU A 14 6.190 3.490 -23.951 1.00 61.22 H new ATOM 0 HG2 GLU A 14 8.202 3.826 -22.456 1.00 73.54 H new ATOM 0 HG3 GLU A 14 9.018 2.560 -23.352 1.00 73.54 H new ATOM 220 N GLU A 15 5.114 0.098 -23.816 1.00 33.42 N ATOM 221 CA GLU A 15 3.910 -0.578 -24.285 1.00 70.31 C ATOM 222 C GLU A 15 3.139 -1.190 -23.118 1.00 43.44 C ATOM 223 O GLU A 15 1.920 -1.050 -23.026 1.00 41.31 O ATOM 224 CB GLU A 15 4.271 -1.667 -25.298 1.00 5.20 C ATOM 225 CG GLU A 15 4.538 -1.133 -26.696 1.00 31.45 C ATOM 226 CD GLU A 15 3.296 -0.555 -27.346 1.00 30.50 C ATOM 227 OE1 GLU A 15 2.284 -1.282 -27.441 1.00 43.31 O ATOM 228 OE2 GLU A 15 3.335 0.622 -27.760 1.00 25.11 O ATOM 0 H GLU A 15 5.987 -0.338 -24.115 1.00 33.42 H new ATOM 0 HA GLU A 15 3.274 0.163 -24.769 1.00 70.31 H new ATOM 0 HB2 GLU A 15 5.155 -2.200 -24.947 1.00 5.20 H new ATOM 0 HB3 GLU A 15 3.459 -2.392 -25.344 1.00 5.20 H new ATOM 0 HG2 GLU A 15 5.309 -0.364 -26.646 1.00 31.45 H new ATOM 0 HG3 GLU A 15 4.929 -1.937 -27.319 1.00 31.45 H new ATOM 235 N GLN A 16 3.860 -1.868 -22.231 1.00 42.32 N ATOM 236 CA GLN A 16 3.244 -2.502 -21.072 1.00 2.44 C ATOM 237 C GLN A 16 2.557 -1.467 -20.187 1.00 34.02 C ATOM 238 O GLN A 16 1.376 -1.598 -19.862 1.00 41.14 O ATOM 239 CB GLN A 16 4.295 -3.264 -20.263 1.00 31.33 C ATOM 240 CG GLN A 16 4.737 -4.566 -20.913 1.00 15.53 C ATOM 241 CD GLN A 16 3.960 -5.764 -20.405 1.00 21.51 C ATOM 242 OE1 GLN A 16 2.944 -5.618 -19.725 1.00 21.02 O ATOM 243 NE2 GLN A 16 4.435 -6.960 -20.733 1.00 63.24 N ATOM 0 H GLN A 16 4.871 -1.992 -22.293 1.00 42.32 H new ATOM 0 HA GLN A 16 2.491 -3.204 -21.430 1.00 2.44 H new ATOM 0 HB2 GLN A 16 5.166 -2.624 -20.121 1.00 31.33 H new ATOM 0 HB3 GLN A 16 3.893 -3.480 -19.273 1.00 31.33 H new ATOM 0 HG2 GLN A 16 4.613 -4.489 -21.993 1.00 15.53 H new ATOM 0 HG3 GLN A 16 5.799 -4.720 -20.724 1.00 15.53 H new ATOM 0 HE21 GLN A 16 5.281 -7.035 -21.299 1.00 63.24 H new ATOM 0 HE22 GLN A 16 3.954 -7.803 -20.419 1.00 63.24 H new ATOM 252 N LYS A 17 3.303 -0.438 -19.799 1.00 35.33 N ATOM 253 CA LYS A 17 2.766 0.620 -18.952 1.00 13.32 C ATOM 254 C LYS A 17 1.612 1.339 -19.644 1.00 44.15 C ATOM 255 O LYS A 17 0.628 1.710 -19.007 1.00 72.01 O ATOM 256 CB LYS A 17 3.865 1.623 -18.595 1.00 42.33 C ATOM 257 CG LYS A 17 4.867 1.094 -17.584 1.00 20.41 C ATOM 258 CD LYS A 17 4.247 0.959 -16.203 1.00 43.20 C ATOM 259 CE LYS A 17 4.414 2.234 -15.391 1.00 14.51 C ATOM 260 NZ LYS A 17 5.848 2.563 -15.162 1.00 51.20 N ATOM 0 H LYS A 17 4.282 -0.315 -20.058 1.00 35.33 H new ATOM 0 HA LYS A 17 2.389 0.162 -18.037 1.00 13.32 H new ATOM 0 HB2 LYS A 17 4.395 1.907 -19.504 1.00 42.33 H new ATOM 0 HB3 LYS A 17 3.404 2.528 -18.198 1.00 42.33 H new ATOM 0 HG2 LYS A 17 5.240 0.124 -17.913 1.00 20.41 H new ATOM 0 HG3 LYS A 17 5.725 1.765 -17.535 1.00 20.41 H new ATOM 0 HD2 LYS A 17 3.187 0.724 -16.300 1.00 43.20 H new ATOM 0 HD3 LYS A 17 4.711 0.126 -15.674 1.00 43.20 H new ATOM 0 HE2 LYS A 17 3.930 3.061 -15.911 1.00 14.51 H new ATOM 0 HE3 LYS A 17 3.910 2.122 -14.431 1.00 14.51 H new ATOM 0 HZ1 LYS A 17 5.944 3.098 -14.275 1.00 51.20 H new ATOM 0 HZ2 LYS A 17 6.400 1.684 -15.097 1.00 51.20 H new ATOM 0 HZ3 LYS A 17 6.203 3.137 -15.953 1.00 51.20 H new ATOM 274 N ASN A 18 1.741 1.531 -20.953 1.00 64.03 N ATOM 275 CA ASN A 18 0.709 2.205 -21.732 1.00 71.45 C ATOM 276 C ASN A 18 -0.559 1.359 -21.802 1.00 20.13 C ATOM 277 O ASN A 18 -1.668 1.889 -21.862 1.00 44.34 O ATOM 278 CB ASN A 18 1.217 2.498 -23.145 1.00 42.54 C ATOM 279 CG ASN A 18 2.043 3.769 -23.210 1.00 61.32 C ATOM 280 OD1 ASN A 18 1.880 4.671 -22.388 1.00 62.25 O ATOM 281 ND2 ASN A 18 2.935 3.845 -24.191 1.00 25.54 N ATOM 0 H ASN A 18 2.550 1.229 -21.496 1.00 64.03 H new ATOM 0 HA ASN A 18 0.471 3.146 -21.236 1.00 71.45 H new ATOM 0 HB2 ASN A 18 1.819 1.659 -23.493 1.00 42.54 H new ATOM 0 HB3 ASN A 18 0.368 2.585 -23.823 1.00 42.54 H new ATOM 0 HD21 ASN A 18 3.519 4.676 -24.286 1.00 25.54 H new ATOM 0 HD22 ASN A 18 3.036 3.073 -24.850 1.00 25.54 H new ATOM 288 N GLU A 19 -0.386 0.041 -21.791 1.00 60.25 N ATOM 289 CA GLU A 19 -1.517 -0.878 -21.853 1.00 43.13 C ATOM 290 C GLU A 19 -2.347 -0.806 -20.575 1.00 3.12 C ATOM 291 O GLU A 19 -3.577 -0.825 -20.618 1.00 60.31 O ATOM 292 CB GLU A 19 -1.027 -2.310 -22.077 1.00 20.25 C ATOM 293 CG GLU A 19 -0.779 -2.648 -23.537 1.00 71.00 C ATOM 294 CD GLU A 19 -0.308 -4.076 -23.734 1.00 12.12 C ATOM 295 OE1 GLU A 19 0.518 -4.545 -22.923 1.00 11.43 O ATOM 296 OE2 GLU A 19 -0.765 -4.724 -24.698 1.00 60.41 O ATOM 0 H GLU A 19 0.525 -0.414 -21.740 1.00 60.25 H new ATOM 0 HA GLU A 19 -2.147 -0.582 -22.692 1.00 43.13 H new ATOM 0 HB2 GLU A 19 -0.105 -2.461 -21.516 1.00 20.25 H new ATOM 0 HB3 GLU A 19 -1.763 -3.004 -21.672 1.00 20.25 H new ATOM 0 HG2 GLU A 19 -1.697 -2.491 -24.103 1.00 71.00 H new ATOM 0 HG3 GLU A 19 -0.033 -1.964 -23.943 1.00 71.00 H new ATOM 303 N PHE A 20 -1.664 -0.723 -19.437 1.00 74.43 N ATOM 304 CA PHE A 20 -2.337 -0.650 -18.146 1.00 34.22 C ATOM 305 C PHE A 20 -3.123 0.652 -18.015 1.00 24.34 C ATOM 306 O PHE A 20 -4.092 0.732 -17.260 1.00 52.51 O ATOM 307 CB PHE A 20 -1.319 -0.762 -17.009 1.00 52.52 C ATOM 308 CG PHE A 20 -0.319 -1.865 -17.206 1.00 50.43 C ATOM 309 CD1 PHE A 20 -0.707 -3.082 -17.743 1.00 12.24 C ATOM 310 CD2 PHE A 20 1.009 -1.684 -16.856 1.00 22.32 C ATOM 311 CE1 PHE A 20 0.211 -4.099 -17.924 1.00 40.32 C ATOM 312 CE2 PHE A 20 1.932 -2.697 -17.035 1.00 61.55 C ATOM 313 CZ PHE A 20 1.532 -3.906 -17.571 1.00 45.14 C ATOM 0 H PHE A 20 -0.646 -0.705 -19.384 1.00 74.43 H new ATOM 0 HA PHE A 20 -3.036 -1.484 -18.081 1.00 34.22 H new ATOM 0 HB2 PHE A 20 -0.789 0.185 -16.912 1.00 52.52 H new ATOM 0 HB3 PHE A 20 -1.850 -0.927 -16.072 1.00 52.52 H new ATOM 0 HD1 PHE A 20 -1.738 -3.238 -18.023 1.00 12.24 H new ATOM 0 HD2 PHE A 20 1.327 -0.740 -16.438 1.00 22.32 H new ATOM 0 HE1 PHE A 20 -0.104 -5.044 -18.341 1.00 40.32 H new ATOM 0 HE2 PHE A 20 2.964 -2.544 -16.756 1.00 61.55 H new ATOM 0 HZ PHE A 20 2.251 -4.699 -17.714 1.00 45.14 H new ATOM 323 N LYS A 21 -2.696 1.670 -18.754 1.00 72.34 N ATOM 324 CA LYS A 21 -3.358 2.969 -18.723 1.00 62.32 C ATOM 325 C LYS A 21 -4.596 2.970 -19.614 1.00 33.04 C ATOM 326 O LYS A 21 -5.606 3.593 -19.287 1.00 50.12 O ATOM 327 CB LYS A 21 -2.392 4.067 -19.173 1.00 62.15 C ATOM 328 CG LYS A 21 -2.791 5.456 -18.707 1.00 45.42 C ATOM 329 CD LYS A 21 -2.249 6.532 -19.633 1.00 44.32 C ATOM 330 CE LYS A 21 -0.835 6.940 -19.247 1.00 13.23 C ATOM 331 NZ LYS A 21 -0.340 8.076 -20.073 1.00 72.11 N ATOM 0 H LYS A 21 -1.894 1.621 -19.382 1.00 72.34 H new ATOM 0 HA LYS A 21 -3.670 3.166 -17.697 1.00 62.32 H new ATOM 0 HB2 LYS A 21 -1.395 3.839 -18.796 1.00 62.15 H new ATOM 0 HB3 LYS A 21 -2.330 4.062 -20.261 1.00 62.15 H new ATOM 0 HG2 LYS A 21 -3.878 5.527 -18.662 1.00 45.42 H new ATOM 0 HG3 LYS A 21 -2.418 5.623 -17.696 1.00 45.42 H new ATOM 0 HD2 LYS A 21 -2.256 6.167 -20.660 1.00 44.32 H new ATOM 0 HD3 LYS A 21 -2.902 7.404 -19.601 1.00 44.32 H new ATOM 0 HE2 LYS A 21 -0.813 7.220 -18.194 1.00 13.23 H new ATOM 0 HE3 LYS A 21 -0.166 6.087 -19.364 1.00 13.23 H new ATOM 0 HZ1 LYS A 21 0.626 8.324 -19.779 1.00 72.11 H new ATOM 0 HZ2 LYS A 21 -0.337 7.801 -21.076 1.00 72.11 H new ATOM 0 HZ3 LYS A 21 -0.963 8.898 -19.942 1.00 72.11 H new ATOM 345 N ALA A 22 -4.512 2.267 -20.738 1.00 44.24 N ATOM 346 CA ALA A 22 -5.627 2.185 -21.673 1.00 62.24 C ATOM 347 C ALA A 22 -6.650 1.150 -21.218 1.00 11.14 C ATOM 348 O ALA A 22 -7.834 1.455 -21.077 1.00 30.43 O ATOM 349 CB ALA A 22 -5.122 1.851 -23.069 1.00 64.02 C ATOM 0 H ALA A 22 -3.683 1.746 -21.023 1.00 44.24 H new ATOM 0 HA ALA A 22 -6.119 3.157 -21.699 1.00 62.24 H new ATOM 0 HB1 ALA A 22 -5.966 1.793 -23.757 1.00 64.02 H new ATOM 0 HB2 ALA A 22 -4.434 2.628 -23.403 1.00 64.02 H new ATOM 0 HB3 ALA A 22 -4.604 0.892 -23.049 1.00 64.02 H new ATOM 355 N ALA A 23 -6.186 -0.074 -20.989 1.00 44.04 N ATOM 356 CA ALA A 23 -7.061 -1.153 -20.548 1.00 64.12 C ATOM 357 C ALA A 23 -7.839 -0.753 -19.299 1.00 65.21 C ATOM 358 O ALA A 23 -9.016 -1.083 -19.157 1.00 12.01 O ATOM 359 CB ALA A 23 -6.252 -2.415 -20.287 1.00 63.12 C ATOM 0 H ALA A 23 -5.209 -0.343 -21.102 1.00 44.04 H new ATOM 0 HA ALA A 23 -7.779 -1.353 -21.343 1.00 64.12 H new ATOM 0 HB1 ALA A 23 -6.918 -3.213 -19.958 1.00 63.12 H new ATOM 0 HB2 ALA A 23 -5.746 -2.719 -21.203 1.00 63.12 H new ATOM 0 HB3 ALA A 23 -5.511 -2.218 -19.512 1.00 63.12 H new ATOM 365 N PHE A 24 -7.173 -0.042 -18.396 1.00 3.44 N ATOM 366 CA PHE A 24 -7.802 0.402 -17.157 1.00 63.10 C ATOM 367 C PHE A 24 -8.972 1.337 -17.446 1.00 51.30 C ATOM 368 O PHE A 24 -9.929 1.409 -16.674 1.00 44.12 O ATOM 369 CB PHE A 24 -6.778 1.108 -16.265 1.00 35.43 C ATOM 370 CG PHE A 24 -7.386 1.757 -15.054 1.00 43.43 C ATOM 371 CD1 PHE A 24 -7.835 3.067 -15.107 1.00 1.11 C ATOM 372 CD2 PHE A 24 -7.508 1.058 -13.864 1.00 42.43 C ATOM 373 CE1 PHE A 24 -8.393 3.668 -13.994 1.00 73.53 C ATOM 374 CE2 PHE A 24 -8.066 1.654 -12.748 1.00 62.54 C ATOM 375 CZ PHE A 24 -8.510 2.960 -12.814 1.00 70.50 C ATOM 0 H PHE A 24 -6.198 0.239 -18.498 1.00 3.44 H new ATOM 0 HA PHE A 24 -8.182 -0.477 -16.636 1.00 63.10 H new ATOM 0 HB2 PHE A 24 -6.029 0.385 -15.943 1.00 35.43 H new ATOM 0 HB3 PHE A 24 -6.258 1.866 -16.851 1.00 35.43 H new ATOM 0 HD1 PHE A 24 -7.748 3.625 -16.028 1.00 1.11 H new ATOM 0 HD2 PHE A 24 -7.163 0.036 -13.807 1.00 42.43 H new ATOM 0 HE1 PHE A 24 -8.737 4.690 -14.047 1.00 73.53 H new ATOM 0 HE2 PHE A 24 -8.154 1.099 -11.826 1.00 62.54 H new ATOM 0 HZ PHE A 24 -8.948 3.427 -11.944 1.00 70.50 H new ATOM 385 N ASP A 25 -8.888 2.052 -18.562 1.00 52.53 N ATOM 386 CA ASP A 25 -9.940 2.983 -18.955 1.00 2.52 C ATOM 387 C ASP A 25 -11.237 2.241 -19.261 1.00 64.21 C ATOM 388 O ASP A 25 -12.320 2.679 -18.873 1.00 73.53 O ATOM 389 CB ASP A 25 -9.502 3.795 -20.175 1.00 12.51 C ATOM 390 CG ASP A 25 -10.470 4.916 -20.502 1.00 62.10 C ATOM 391 OD1 ASP A 25 -11.289 5.267 -19.627 1.00 3.51 O ATOM 392 OD2 ASP A 25 -10.408 5.442 -21.633 1.00 24.32 O ATOM 0 H ASP A 25 -8.102 2.005 -19.211 1.00 52.53 H new ATOM 0 HA ASP A 25 -10.120 3.662 -18.122 1.00 2.52 H new ATOM 0 HB2 ASP A 25 -8.513 4.215 -19.992 1.00 12.51 H new ATOM 0 HB3 ASP A 25 -9.413 3.133 -21.036 1.00 12.51 H new ATOM 397 N ILE A 26 -11.118 1.117 -19.959 1.00 62.43 N ATOM 398 CA ILE A 26 -12.281 0.314 -20.317 1.00 64.22 C ATOM 399 C ILE A 26 -12.937 -0.286 -19.078 1.00 61.14 C ATOM 400 O ILE A 26 -14.162 -0.354 -18.983 1.00 75.12 O ATOM 401 CB ILE A 26 -11.903 -0.823 -21.286 1.00 15.32 C ATOM 402 CG1 ILE A 26 -11.318 -0.248 -22.578 1.00 33.24 C ATOM 403 CG2 ILE A 26 -13.119 -1.687 -21.587 1.00 23.11 C ATOM 404 CD1 ILE A 26 -9.807 -0.293 -22.629 1.00 12.24 C ATOM 0 H ILE A 26 -10.228 0.742 -20.288 1.00 62.43 H new ATOM 0 HA ILE A 26 -12.986 0.982 -20.811 1.00 64.22 H new ATOM 0 HB ILE A 26 -11.145 -1.448 -20.813 1.00 15.32 H new ATOM 0 HG12 ILE A 26 -11.719 -0.802 -23.427 1.00 33.24 H new ATOM 0 HG13 ILE A 26 -11.647 0.785 -22.688 1.00 33.24 H new ATOM 0 HG21 ILE A 26 -12.837 -2.486 -22.273 1.00 23.11 H new ATOM 0 HG22 ILE A 26 -13.496 -2.120 -20.660 1.00 23.11 H new ATOM 0 HG23 ILE A 26 -13.896 -1.075 -22.044 1.00 23.11 H new ATOM 0 HD11 ILE A 26 -9.462 0.130 -23.572 1.00 12.24 H new ATOM 0 HD12 ILE A 26 -9.398 0.285 -21.800 1.00 12.24 H new ATOM 0 HD13 ILE A 26 -9.471 -1.327 -22.551 1.00 12.24 H new ATOM 416 N PHE A 27 -12.113 -0.719 -18.130 1.00 2.32 N ATOM 417 CA PHE A 27 -12.613 -1.312 -16.895 1.00 62.52 C ATOM 418 C PHE A 27 -13.440 -0.304 -16.103 1.00 72.41 C ATOM 419 O PHE A 27 -14.573 -0.585 -15.711 1.00 70.24 O ATOM 420 CB PHE A 27 -11.449 -1.819 -16.040 1.00 53.51 C ATOM 421 CG PHE A 27 -11.069 -3.243 -16.328 1.00 43.30 C ATOM 422 CD1 PHE A 27 -10.439 -3.579 -17.516 1.00 2.34 C ATOM 423 CD2 PHE A 27 -11.340 -4.245 -15.411 1.00 73.21 C ATOM 424 CE1 PHE A 27 -10.088 -4.888 -17.783 1.00 74.53 C ATOM 425 CE2 PHE A 27 -10.992 -5.557 -15.673 1.00 42.11 C ATOM 426 CZ PHE A 27 -10.364 -5.879 -16.860 1.00 40.45 C ATOM 0 H PHE A 27 -11.096 -0.670 -18.193 1.00 2.32 H new ATOM 0 HA PHE A 27 -13.254 -2.153 -17.159 1.00 62.52 H new ATOM 0 HB2 PHE A 27 -10.582 -1.180 -16.205 1.00 53.51 H new ATOM 0 HB3 PHE A 27 -11.716 -1.728 -14.987 1.00 53.51 H new ATOM 0 HD1 PHE A 27 -10.220 -2.809 -18.241 1.00 2.34 H new ATOM 0 HD2 PHE A 27 -11.829 -3.998 -14.480 1.00 73.21 H new ATOM 0 HE1 PHE A 27 -9.598 -5.137 -18.713 1.00 74.53 H new ATOM 0 HE2 PHE A 27 -11.211 -6.329 -14.950 1.00 42.11 H new ATOM 0 HZ PHE A 27 -10.089 -6.903 -17.067 1.00 40.45 H new ATOM 436 N VAL A 28 -12.865 0.871 -15.870 1.00 52.31 N ATOM 437 CA VAL A 28 -13.548 1.922 -15.125 1.00 53.23 C ATOM 438 C VAL A 28 -14.451 2.745 -16.038 1.00 20.31 C ATOM 439 O VAL A 28 -15.057 3.727 -15.608 1.00 42.55 O ATOM 440 CB VAL A 28 -12.544 2.862 -14.432 1.00 13.11 C ATOM 441 CG1 VAL A 28 -11.542 2.063 -13.613 1.00 34.23 C ATOM 442 CG2 VAL A 28 -11.834 3.732 -15.458 1.00 25.12 C ATOM 0 H VAL A 28 -11.928 1.119 -16.186 1.00 52.31 H new ATOM 0 HA VAL A 28 -14.156 1.428 -14.366 1.00 53.23 H new ATOM 0 HB VAL A 28 -13.093 3.515 -13.753 1.00 13.11 H new ATOM 0 HG11 VAL A 28 -10.841 2.744 -13.131 1.00 34.23 H new ATOM 0 HG12 VAL A 28 -12.070 1.488 -12.853 1.00 34.23 H new ATOM 0 HG13 VAL A 28 -10.996 1.384 -14.268 1.00 34.23 H new ATOM 0 HG21 VAL A 28 -11.128 4.390 -14.951 1.00 25.12 H new ATOM 0 HG22 VAL A 28 -11.297 3.098 -16.163 1.00 25.12 H new ATOM 0 HG23 VAL A 28 -12.568 4.332 -15.996 1.00 25.12 H new ATOM 452 N LEU A 29 -14.537 2.337 -17.299 1.00 71.22 N ATOM 453 CA LEU A 29 -15.367 3.036 -18.274 1.00 71.43 C ATOM 454 C LEU A 29 -16.842 2.948 -17.896 1.00 52.11 C ATOM 455 O LEU A 29 -17.655 3.761 -18.335 1.00 32.43 O ATOM 456 CB LEU A 29 -15.151 2.449 -19.671 1.00 12.34 C ATOM 457 CG LEU A 29 -16.301 1.613 -20.232 1.00 72.44 C ATOM 458 CD1 LEU A 29 -17.322 2.504 -20.923 1.00 62.30 C ATOM 459 CD2 LEU A 29 -15.773 0.558 -21.194 1.00 52.44 C ATOM 0 H LEU A 29 -14.042 1.526 -17.670 1.00 71.22 H new ATOM 0 HA LEU A 29 -15.074 4.086 -18.278 1.00 71.43 H new ATOM 0 HB2 LEU A 29 -14.954 3.269 -20.361 1.00 12.34 H new ATOM 0 HB3 LEU A 29 -14.255 1.829 -19.648 1.00 12.34 H new ATOM 0 HG LEU A 29 -16.795 1.106 -19.403 1.00 72.44 H new ATOM 0 HD11 LEU A 29 -18.133 1.891 -21.316 1.00 62.30 H new ATOM 0 HD12 LEU A 29 -17.723 3.221 -20.207 1.00 62.30 H new ATOM 0 HD13 LEU A 29 -16.842 3.039 -21.742 1.00 62.30 H new ATOM 0 HD21 LEU A 29 -16.605 -0.028 -21.584 1.00 52.44 H new ATOM 0 HD22 LEU A 29 -15.254 1.045 -22.019 1.00 52.44 H new ATOM 0 HD23 LEU A 29 -15.081 -0.100 -20.668 1.00 52.44 H new ATOM 471 N GLY A 30 -17.180 1.957 -17.077 1.00 32.03 N ATOM 472 CA GLY A 30 -18.557 1.783 -16.651 1.00 63.24 C ATOM 473 C GLY A 30 -18.836 2.434 -15.311 1.00 71.32 C ATOM 474 O GLY A 30 -19.987 2.719 -14.980 1.00 25.41 O ATOM 0 H GLY A 30 -16.525 1.271 -16.701 1.00 32.03 H new ATOM 0 HA2 GLY A 30 -19.223 2.207 -17.403 1.00 63.24 H new ATOM 0 HA3 GLY A 30 -18.783 0.719 -16.588 1.00 63.24 H new ATOM 478 N ALA A 31 -17.781 2.668 -14.538 1.00 13.14 N ATOM 479 CA ALA A 31 -17.919 3.290 -13.226 1.00 63.43 C ATOM 480 C ALA A 31 -18.218 4.780 -13.354 1.00 25.55 C ATOM 481 O ALA A 31 -18.438 5.285 -14.453 1.00 41.43 O ATOM 482 CB ALA A 31 -16.658 3.071 -12.404 1.00 25.33 C ATOM 0 H ALA A 31 -16.822 2.437 -14.797 1.00 13.14 H new ATOM 0 HA ALA A 31 -18.759 2.821 -12.714 1.00 63.43 H new ATOM 0 HB1 ALA A 31 -16.774 3.540 -11.427 1.00 25.33 H new ATOM 0 HB2 ALA A 31 -16.489 2.002 -12.275 1.00 25.33 H new ATOM 0 HB3 ALA A 31 -15.806 3.514 -12.920 1.00 25.33 H new ATOM 488 N GLU A 32 -18.224 5.476 -12.221 1.00 42.02 N ATOM 489 CA GLU A 32 -18.498 6.908 -12.208 1.00 5.24 C ATOM 490 C GLU A 32 -17.224 7.703 -11.934 1.00 42.04 C ATOM 491 O GLU A 32 -16.810 8.531 -12.746 1.00 40.11 O ATOM 492 CB GLU A 32 -19.554 7.238 -11.151 1.00 51.11 C ATOM 493 CG GLU A 32 -20.861 6.487 -11.342 1.00 50.11 C ATOM 494 CD GLU A 32 -21.894 6.836 -10.288 1.00 62.10 C ATOM 495 OE1 GLU A 32 -21.701 6.445 -9.118 1.00 33.24 O ATOM 496 OE2 GLU A 32 -22.894 7.499 -10.633 1.00 2.21 O ATOM 0 H GLU A 32 -18.043 5.072 -11.302 1.00 42.02 H new ATOM 0 HA GLU A 32 -18.877 7.188 -13.191 1.00 5.24 H new ATOM 0 HB2 GLU A 32 -19.153 7.007 -10.164 1.00 51.11 H new ATOM 0 HB3 GLU A 32 -19.754 8.309 -11.171 1.00 51.11 H new ATOM 0 HG2 GLU A 32 -21.264 6.712 -12.329 1.00 50.11 H new ATOM 0 HG3 GLU A 32 -20.667 5.415 -11.314 1.00 50.11 H new ATOM 503 N ASP A 33 -16.608 7.445 -10.786 1.00 43.21 N ATOM 504 CA ASP A 33 -15.381 8.135 -10.405 1.00 1.31 C ATOM 505 C ASP A 33 -14.196 7.628 -11.221 1.00 20.12 C ATOM 506 O ASP A 33 -13.272 8.381 -11.527 1.00 75.32 O ATOM 507 CB ASP A 33 -15.107 7.946 -8.912 1.00 63.22 C ATOM 508 CG ASP A 33 -16.285 8.356 -8.050 1.00 44.25 C ATOM 509 OD1 ASP A 33 -17.302 7.631 -8.051 1.00 41.44 O ATOM 510 OD2 ASP A 33 -16.189 9.402 -7.374 1.00 61.45 O ATOM 0 H ASP A 33 -16.938 6.763 -10.103 1.00 43.21 H new ATOM 0 HA ASP A 33 -15.512 9.197 -10.611 1.00 1.31 H new ATOM 0 HB2 ASP A 33 -14.866 6.901 -8.719 1.00 63.22 H new ATOM 0 HB3 ASP A 33 -14.232 8.532 -8.629 1.00 63.22 H new ATOM 515 N GLY A 34 -14.229 6.345 -11.569 1.00 13.01 N ATOM 516 CA GLY A 34 -13.152 5.759 -12.345 1.00 32.33 C ATOM 517 C GLY A 34 -12.459 4.628 -11.612 1.00 23.43 C ATOM 518 O GLY A 34 -11.230 4.586 -11.540 1.00 41.43 O ATOM 0 H GLY A 34 -14.982 5.701 -11.327 1.00 13.01 H new ATOM 0 HA2 GLY A 34 -13.549 5.386 -13.289 1.00 32.33 H new ATOM 0 HA3 GLY A 34 -12.422 6.531 -12.589 1.00 32.33 H new ATOM 522 N CYS A 35 -13.247 3.709 -11.064 1.00 64.25 N ATOM 523 CA CYS A 35 -12.701 2.573 -10.330 1.00 62.44 C ATOM 524 C CYS A 35 -13.490 1.302 -10.629 1.00 15.41 C ATOM 525 O CYS A 35 -14.499 1.338 -11.335 1.00 1.24 O ATOM 526 CB CYS A 35 -12.715 2.855 -8.827 1.00 52.35 C ATOM 527 SG CYS A 35 -11.955 4.429 -8.365 1.00 45.10 S ATOM 0 H CYS A 35 -14.266 3.729 -11.114 1.00 64.25 H new ATOM 0 HA CYS A 35 -11.671 2.424 -10.654 1.00 62.44 H new ATOM 0 HB2 CYS A 35 -13.747 2.845 -8.476 1.00 52.35 H new ATOM 0 HB3 CYS A 35 -12.195 2.047 -8.312 1.00 52.35 H new ATOM 0 HG CYS A 35 -12.201 4.679 -7.113 1.00 45.10 H new ATOM 533 N ILE A 36 -13.024 0.182 -10.089 1.00 34.54 N ATOM 534 CA ILE A 36 -13.687 -1.100 -10.298 1.00 10.23 C ATOM 535 C ILE A 36 -14.080 -1.739 -8.970 1.00 2.31 C ATOM 536 O ILE A 36 -13.221 -2.130 -8.179 1.00 51.34 O ATOM 537 CB ILE A 36 -12.789 -2.077 -11.079 1.00 70.10 C ATOM 538 CG1 ILE A 36 -12.289 -1.424 -12.369 1.00 72.13 C ATOM 539 CG2 ILE A 36 -13.546 -3.361 -11.387 1.00 44.41 C ATOM 540 CD1 ILE A 36 -10.782 -1.339 -12.459 1.00 4.24 C ATOM 0 H ILE A 36 -12.190 0.135 -9.503 1.00 34.54 H new ATOM 0 HA ILE A 36 -14.585 -0.899 -10.882 1.00 10.23 H new ATOM 0 HB ILE A 36 -11.926 -2.326 -10.462 1.00 70.10 H new ATOM 0 HG12 ILE A 36 -12.664 -1.989 -13.222 1.00 72.13 H new ATOM 0 HG13 ILE A 36 -12.706 -0.420 -12.444 1.00 72.13 H new ATOM 0 HG21 ILE A 36 -12.898 -4.042 -11.939 1.00 44.41 H new ATOM 0 HG22 ILE A 36 -13.857 -3.832 -10.455 1.00 44.41 H new ATOM 0 HG23 ILE A 36 -14.426 -3.130 -11.988 1.00 44.41 H new ATOM 0 HD11 ILE A 36 -10.500 -0.865 -13.399 1.00 4.24 H new ATOM 0 HD12 ILE A 36 -10.401 -0.748 -11.626 1.00 4.24 H new ATOM 0 HD13 ILE A 36 -10.358 -2.342 -12.417 1.00 4.24 H new ATOM 552 N SER A 37 -15.383 -1.843 -8.732 1.00 74.04 N ATOM 553 CA SER A 37 -15.891 -2.433 -7.499 1.00 41.02 C ATOM 554 C SER A 37 -16.098 -3.936 -7.661 1.00 52.21 C ATOM 555 O SER A 37 -16.481 -4.411 -8.731 1.00 0.30 O ATOM 556 CB SER A 37 -17.207 -1.766 -7.094 1.00 4.15 C ATOM 557 OG SER A 37 -17.671 -2.267 -5.852 1.00 2.01 O ATOM 0 H SER A 37 -16.107 -1.526 -9.377 1.00 74.04 H new ATOM 0 HA SER A 37 -15.152 -2.268 -6.715 1.00 41.02 H new ATOM 0 HB2 SER A 37 -17.066 -0.687 -7.025 1.00 4.15 H new ATOM 0 HB3 SER A 37 -17.959 -1.940 -7.864 1.00 4.15 H new ATOM 0 HG SER A 37 -18.512 -1.824 -5.614 1.00 2.01 H new ATOM 563 N THR A 38 -15.842 -4.681 -6.590 1.00 54.02 N ATOM 564 CA THR A 38 -15.999 -6.130 -6.612 1.00 11.30 C ATOM 565 C THR A 38 -17.366 -6.527 -7.157 1.00 51.23 C ATOM 566 O THR A 38 -17.525 -7.598 -7.743 1.00 54.24 O ATOM 567 CB THR A 38 -15.824 -6.735 -5.206 1.00 52.03 C ATOM 568 OG1 THR A 38 -16.271 -8.095 -5.200 1.00 20.44 O ATOM 569 CG2 THR A 38 -16.602 -5.935 -4.172 1.00 72.32 C ATOM 0 H THR A 38 -15.525 -4.305 -5.697 1.00 54.02 H new ATOM 0 HA THR A 38 -15.222 -6.522 -7.268 1.00 11.30 H new ATOM 0 HB THR A 38 -14.766 -6.700 -4.948 1.00 52.03 H new ATOM 0 HG1 THR A 38 -16.155 -8.473 -4.303 1.00 20.44 H new ATOM 0 HG21 THR A 38 -16.463 -6.381 -3.187 1.00 72.32 H new ATOM 0 HG22 THR A 38 -16.239 -4.907 -4.159 1.00 72.32 H new ATOM 0 HG23 THR A 38 -17.662 -5.943 -4.428 1.00 72.32 H new ATOM 577 N LYS A 39 -18.351 -5.657 -6.962 1.00 34.05 N ATOM 578 CA LYS A 39 -19.706 -5.915 -7.435 1.00 61.23 C ATOM 579 C LYS A 39 -19.745 -5.988 -8.958 1.00 61.34 C ATOM 580 O LYS A 39 -20.307 -6.922 -9.529 1.00 73.12 O ATOM 581 CB LYS A 39 -20.658 -4.823 -6.942 1.00 63.01 C ATOM 582 CG LYS A 39 -21.036 -4.962 -5.478 1.00 0.24 C ATOM 583 CD LYS A 39 -22.264 -4.134 -5.138 1.00 41.20 C ATOM 584 CE LYS A 39 -23.543 -4.822 -5.591 1.00 3.32 C ATOM 585 NZ LYS A 39 -24.038 -5.794 -4.577 1.00 54.42 N ATOM 0 H LYS A 39 -18.236 -4.766 -6.479 1.00 34.05 H new ATOM 0 HA LYS A 39 -20.027 -6.876 -7.034 1.00 61.23 H new ATOM 0 HB2 LYS A 39 -20.193 -3.850 -7.098 1.00 63.01 H new ATOM 0 HB3 LYS A 39 -21.565 -4.843 -7.546 1.00 63.01 H new ATOM 0 HG2 LYS A 39 -21.228 -6.010 -5.249 1.00 0.24 H new ATOM 0 HG3 LYS A 39 -20.200 -4.647 -4.854 1.00 0.24 H new ATOM 0 HD2 LYS A 39 -22.303 -3.964 -4.062 1.00 41.20 H new ATOM 0 HD3 LYS A 39 -22.188 -3.156 -5.613 1.00 41.20 H new ATOM 0 HE2 LYS A 39 -24.311 -4.072 -5.781 1.00 3.32 H new ATOM 0 HE3 LYS A 39 -23.363 -5.340 -6.533 1.00 3.32 H new ATOM 0 HZ1 LYS A 39 -24.911 -6.242 -4.922 1.00 54.42 H new ATOM 0 HZ2 LYS A 39 -23.315 -6.524 -4.414 1.00 54.42 H new ATOM 0 HZ3 LYS A 39 -24.234 -5.296 -3.685 1.00 54.42 H new ATOM 599 N GLU A 40 -19.143 -4.998 -9.610 1.00 24.24 N ATOM 600 CA GLU A 40 -19.109 -4.952 -11.067 1.00 22.33 C ATOM 601 C GLU A 40 -18.052 -5.906 -11.617 1.00 34.43 C ATOM 602 O GLU A 40 -18.270 -6.576 -12.628 1.00 1.33 O ATOM 603 CB GLU A 40 -18.825 -3.528 -11.548 1.00 12.21 C ATOM 604 CG GLU A 40 -19.377 -3.232 -12.932 1.00 53.32 C ATOM 605 CD GLU A 40 -20.865 -3.508 -13.038 1.00 45.15 C ATOM 606 OE1 GLU A 40 -21.592 -3.218 -12.066 1.00 31.25 O ATOM 607 OE2 GLU A 40 -21.301 -4.013 -14.094 1.00 23.55 O ATOM 0 H GLU A 40 -18.672 -4.217 -9.152 1.00 24.24 H new ATOM 0 HA GLU A 40 -20.085 -5.265 -11.437 1.00 22.33 H new ATOM 0 HB2 GLU A 40 -19.252 -2.821 -10.837 1.00 12.21 H new ATOM 0 HB3 GLU A 40 -17.748 -3.363 -11.553 1.00 12.21 H new ATOM 0 HG2 GLU A 40 -19.186 -2.188 -13.179 1.00 53.32 H new ATOM 0 HG3 GLU A 40 -18.846 -3.836 -13.668 1.00 53.32 H new ATOM 614 N LEU A 41 -16.908 -5.963 -10.945 1.00 1.02 N ATOM 615 CA LEU A 41 -15.816 -6.834 -11.365 1.00 71.34 C ATOM 616 C LEU A 41 -16.309 -8.262 -11.576 1.00 73.22 C ATOM 617 O LEU A 41 -15.891 -8.943 -12.512 1.00 4.24 O ATOM 618 CB LEU A 41 -14.695 -6.818 -10.325 1.00 62.20 C ATOM 619 CG LEU A 41 -13.506 -7.739 -10.605 1.00 13.31 C ATOM 620 CD1 LEU A 41 -13.108 -7.665 -12.071 1.00 23.23 C ATOM 621 CD2 LEU A 41 -12.329 -7.376 -9.711 1.00 70.23 C ATOM 0 H LEU A 41 -16.712 -5.416 -10.107 1.00 1.02 H new ATOM 0 HA LEU A 41 -15.429 -6.459 -12.312 1.00 71.34 H new ATOM 0 HB2 LEU A 41 -14.325 -5.797 -10.235 1.00 62.20 H new ATOM 0 HB3 LEU A 41 -15.119 -7.089 -9.358 1.00 62.20 H new ATOM 0 HG LEU A 41 -13.803 -8.764 -10.382 1.00 13.31 H new ATOM 0 HD11 LEU A 41 -12.261 -8.326 -12.252 1.00 23.23 H new ATOM 0 HD12 LEU A 41 -13.949 -7.974 -12.692 1.00 23.23 H new ATOM 0 HD13 LEU A 41 -12.829 -6.641 -12.321 1.00 23.23 H new ATOM 0 HD21 LEU A 41 -11.492 -8.041 -9.923 1.00 70.23 H new ATOM 0 HD22 LEU A 41 -12.031 -6.345 -9.902 1.00 70.23 H new ATOM 0 HD23 LEU A 41 -12.620 -7.481 -8.666 1.00 70.23 H new ATOM 633 N GLY A 42 -17.204 -8.709 -10.700 1.00 71.41 N ATOM 634 CA GLY A 42 -17.741 -10.053 -10.809 1.00 35.01 C ATOM 635 C GLY A 42 -18.400 -10.307 -12.150 1.00 74.11 C ATOM 636 O GLY A 42 -18.353 -11.421 -12.673 1.00 42.20 O ATOM 0 H GLY A 42 -17.567 -8.165 -9.917 1.00 71.41 H new ATOM 0 HA2 GLY A 42 -16.938 -10.775 -10.660 1.00 35.01 H new ATOM 0 HA3 GLY A 42 -18.468 -10.216 -10.014 1.00 35.01 H new ATOM 640 N LYS A 43 -19.019 -9.273 -12.709 1.00 10.40 N ATOM 641 CA LYS A 43 -19.692 -9.388 -13.998 1.00 3.45 C ATOM 642 C LYS A 43 -18.679 -9.536 -15.129 1.00 31.45 C ATOM 643 O LYS A 43 -18.738 -10.488 -15.907 1.00 74.12 O ATOM 644 CB LYS A 43 -20.574 -8.162 -14.247 1.00 31.34 C ATOM 645 CG LYS A 43 -21.919 -8.228 -13.544 1.00 20.32 C ATOM 646 CD LYS A 43 -21.791 -7.911 -12.063 1.00 43.54 C ATOM 647 CE LYS A 43 -22.715 -6.774 -11.655 1.00 55.02 C ATOM 648 NZ LYS A 43 -23.155 -6.898 -10.238 1.00 22.32 N ATOM 0 H LYS A 43 -19.069 -8.345 -12.289 1.00 10.40 H new ATOM 0 HA LYS A 43 -20.318 -10.280 -13.975 1.00 3.45 H new ATOM 0 HB2 LYS A 43 -20.043 -7.270 -13.915 1.00 31.34 H new ATOM 0 HB3 LYS A 43 -20.739 -8.055 -15.319 1.00 31.34 H new ATOM 0 HG2 LYS A 43 -22.609 -7.524 -14.009 1.00 20.32 H new ATOM 0 HG3 LYS A 43 -22.347 -9.223 -13.668 1.00 20.32 H new ATOM 0 HD2 LYS A 43 -22.026 -8.800 -11.478 1.00 43.54 H new ATOM 0 HD3 LYS A 43 -20.759 -7.643 -11.835 1.00 43.54 H new ATOM 0 HE2 LYS A 43 -22.203 -5.822 -11.794 1.00 55.02 H new ATOM 0 HE3 LYS A 43 -23.588 -6.764 -12.307 1.00 55.02 H new ATOM 0 HZ1 LYS A 43 -23.742 -6.078 -9.984 1.00 22.32 H new ATOM 0 HZ2 LYS A 43 -23.710 -7.770 -10.122 1.00 22.32 H new ATOM 0 HZ3 LYS A 43 -22.321 -6.933 -9.617 1.00 22.32 H new ATOM 662 N VAL A 44 -17.749 -8.590 -15.212 1.00 71.35 N ATOM 663 CA VAL A 44 -16.722 -8.618 -16.247 1.00 2.33 C ATOM 664 C VAL A 44 -16.024 -9.972 -16.292 1.00 25.21 C ATOM 665 O VAL A 44 -15.570 -10.413 -17.348 1.00 0.05 O ATOM 666 CB VAL A 44 -15.669 -7.517 -16.021 1.00 5.21 C ATOM 667 CG1 VAL A 44 -14.633 -7.531 -17.135 1.00 73.43 C ATOM 668 CG2 VAL A 44 -16.336 -6.154 -15.920 1.00 54.32 C ATOM 0 H VAL A 44 -17.686 -7.795 -14.576 1.00 71.35 H new ATOM 0 HA VAL A 44 -17.225 -8.441 -17.198 1.00 2.33 H new ATOM 0 HB VAL A 44 -15.158 -7.717 -15.079 1.00 5.21 H new ATOM 0 HG11 VAL A 44 -13.898 -6.746 -16.958 1.00 73.43 H new ATOM 0 HG12 VAL A 44 -14.133 -8.499 -17.155 1.00 73.43 H new ATOM 0 HG13 VAL A 44 -15.125 -7.358 -18.092 1.00 73.43 H new ATOM 0 HG21 VAL A 44 -15.577 -5.388 -15.760 1.00 54.32 H new ATOM 0 HG22 VAL A 44 -16.875 -5.943 -16.844 1.00 54.32 H new ATOM 0 HG23 VAL A 44 -17.035 -6.152 -15.083 1.00 54.32 H new ATOM 678 N MET A 45 -15.941 -10.628 -15.139 1.00 33.11 N ATOM 679 CA MET A 45 -15.299 -11.934 -15.047 1.00 75.44 C ATOM 680 C MET A 45 -15.870 -12.894 -16.086 1.00 70.53 C ATOM 681 O MET A 45 -15.179 -13.799 -16.555 1.00 22.12 O ATOM 682 CB MET A 45 -15.479 -12.517 -13.644 1.00 62.33 C ATOM 683 CG MET A 45 -14.784 -11.712 -12.558 1.00 62.13 C ATOM 684 SD MET A 45 -13.277 -12.504 -11.963 1.00 50.24 S ATOM 685 CE MET A 45 -12.356 -12.669 -13.490 1.00 45.55 C ATOM 0 H MET A 45 -16.310 -10.276 -14.256 1.00 33.11 H new ATOM 0 HA MET A 45 -14.235 -11.803 -15.244 1.00 75.44 H new ATOM 0 HB2 MET A 45 -16.544 -12.575 -13.417 1.00 62.33 H new ATOM 0 HB3 MET A 45 -15.095 -13.537 -13.631 1.00 62.33 H new ATOM 0 HG2 MET A 45 -14.541 -10.722 -12.944 1.00 62.13 H new ATOM 0 HG3 MET A 45 -15.469 -11.569 -11.722 1.00 62.13 H new ATOM 0 HE1 MET A 45 -11.345 -13.011 -13.270 1.00 45.55 H new ATOM 0 HE2 MET A 45 -12.851 -13.393 -14.137 1.00 45.55 H new ATOM 0 HE3 MET A 45 -12.311 -11.703 -13.994 1.00 45.55 H new ATOM 695 N ARG A 46 -17.134 -12.692 -16.442 1.00 15.34 N ATOM 696 CA ARG A 46 -17.798 -13.541 -17.424 1.00 4.30 C ATOM 697 C ARG A 46 -17.090 -13.465 -18.774 1.00 14.40 C ATOM 698 O ARG A 46 -17.031 -14.448 -19.511 1.00 31.42 O ATOM 699 CB ARG A 46 -19.263 -13.128 -17.580 1.00 24.43 C ATOM 700 CG ARG A 46 -19.452 -11.835 -18.355 1.00 52.00 C ATOM 701 CD ARG A 46 -20.735 -11.126 -17.950 1.00 1.40 C ATOM 702 NE ARG A 46 -21.530 -10.728 -19.109 1.00 20.22 N ATOM 703 CZ ARG A 46 -22.169 -11.590 -19.892 1.00 64.13 C ATOM 704 NH1 ARG A 46 -22.106 -12.891 -19.642 1.00 51.43 N ATOM 705 NH2 ARG A 46 -22.872 -11.151 -20.928 1.00 71.33 N ATOM 0 H ARG A 46 -17.720 -11.947 -16.065 1.00 15.34 H new ATOM 0 HA ARG A 46 -17.754 -14.570 -17.067 1.00 4.30 H new ATOM 0 HB2 ARG A 46 -19.805 -13.927 -18.086 1.00 24.43 H new ATOM 0 HB3 ARG A 46 -19.708 -13.017 -16.591 1.00 24.43 H new ATOM 0 HG2 ARG A 46 -18.601 -11.177 -18.181 1.00 52.00 H new ATOM 0 HG3 ARG A 46 -19.475 -12.050 -19.423 1.00 52.00 H new ATOM 0 HD2 ARG A 46 -21.327 -11.783 -17.313 1.00 1.40 H new ATOM 0 HD3 ARG A 46 -20.490 -10.244 -17.358 1.00 1.40 H new ATOM 0 HE ARG A 46 -21.598 -9.734 -19.329 1.00 20.22 H new ATOM 0 HH11 ARG A 46 -21.566 -13.232 -18.847 1.00 51.43 H new ATOM 0 HH12 ARG A 46 -22.598 -13.551 -20.245 1.00 51.43 H new ATOM 0 HH21 ARG A 46 -22.922 -10.151 -21.124 1.00 71.33 H new ATOM 0 HH22 ARG A 46 -23.362 -11.813 -21.529 1.00 71.33 H new ATOM 719 N MET A 47 -16.556 -12.290 -19.091 1.00 54.40 N ATOM 720 CA MET A 47 -15.853 -12.086 -20.352 1.00 2.30 C ATOM 721 C MET A 47 -14.558 -12.892 -20.389 1.00 13.23 C ATOM 722 O MET A 47 -14.179 -13.429 -21.430 1.00 43.33 O ATOM 723 CB MET A 47 -15.548 -10.600 -20.556 1.00 74.44 C ATOM 724 CG MET A 47 -16.787 -9.720 -20.550 1.00 53.31 C ATOM 725 SD MET A 47 -16.544 -8.173 -21.444 1.00 12.55 S ATOM 726 CE MET A 47 -16.916 -8.687 -23.118 1.00 41.35 C ATOM 0 H MET A 47 -16.597 -11.465 -18.492 1.00 54.40 H new ATOM 0 HA MET A 47 -16.499 -12.431 -21.159 1.00 2.30 H new ATOM 0 HB2 MET A 47 -14.871 -10.265 -19.770 1.00 74.44 H new ATOM 0 HB3 MET A 47 -15.025 -10.471 -21.504 1.00 74.44 H new ATOM 0 HG2 MET A 47 -17.618 -10.266 -20.996 1.00 53.31 H new ATOM 0 HG3 MET A 47 -17.067 -9.500 -19.520 1.00 53.31 H new ATOM 0 HE1 MET A 47 -16.809 -7.837 -23.792 1.00 41.35 H new ATOM 0 HE2 MET A 47 -16.227 -9.476 -23.418 1.00 41.35 H new ATOM 0 HE3 MET A 47 -17.939 -9.061 -23.165 1.00 41.35 H new ATOM 736 N LEU A 48 -13.884 -12.972 -19.247 1.00 33.42 N ATOM 737 CA LEU A 48 -12.631 -13.713 -19.148 1.00 74.24 C ATOM 738 C LEU A 48 -12.874 -15.213 -19.281 1.00 21.31 C ATOM 739 O LEU A 48 -11.978 -15.966 -19.659 1.00 24.30 O ATOM 740 CB LEU A 48 -11.941 -13.412 -17.817 1.00 33.21 C ATOM 741 CG LEU A 48 -11.221 -12.067 -17.723 1.00 41.44 C ATOM 742 CD1 LEU A 48 -10.200 -11.929 -18.842 1.00 50.21 C ATOM 743 CD2 LEU A 48 -12.222 -10.921 -17.768 1.00 70.54 C ATOM 0 H LEU A 48 -14.184 -12.533 -18.377 1.00 33.42 H new ATOM 0 HA LEU A 48 -11.984 -13.395 -19.965 1.00 74.24 H new ATOM 0 HB2 LEU A 48 -12.688 -13.457 -17.025 1.00 33.21 H new ATOM 0 HB3 LEU A 48 -11.218 -14.203 -17.619 1.00 33.21 H new ATOM 0 HG LEU A 48 -10.694 -12.025 -16.770 1.00 41.44 H new ATOM 0 HD11 LEU A 48 -9.697 -10.965 -18.759 1.00 50.21 H new ATOM 0 HD12 LEU A 48 -9.465 -12.730 -18.764 1.00 50.21 H new ATOM 0 HD13 LEU A 48 -10.705 -11.993 -19.806 1.00 50.21 H new ATOM 0 HD21 LEU A 48 -11.691 -9.971 -17.700 1.00 70.54 H new ATOM 0 HD22 LEU A 48 -12.778 -10.960 -18.705 1.00 70.54 H new ATOM 0 HD23 LEU A 48 -12.915 -11.010 -16.931 1.00 70.54 H new ATOM 755 N GLY A 49 -14.094 -15.640 -18.969 1.00 22.45 N ATOM 756 CA GLY A 49 -14.433 -17.048 -19.061 1.00 70.40 C ATOM 757 C GLY A 49 -14.524 -17.713 -17.702 1.00 24.41 C ATOM 758 O GLY A 49 -14.531 -18.940 -17.604 1.00 65.10 O ATOM 0 H GLY A 49 -14.853 -15.036 -18.654 1.00 22.45 H new ATOM 0 HA2 GLY A 49 -15.386 -17.156 -19.579 1.00 70.40 H new ATOM 0 HA3 GLY A 49 -13.683 -17.560 -19.663 1.00 70.40 H new ATOM 762 N GLN A 50 -14.592 -16.902 -16.651 1.00 64.22 N ATOM 763 CA GLN A 50 -14.680 -17.420 -15.291 1.00 64.31 C ATOM 764 C GLN A 50 -15.787 -16.719 -14.512 1.00 53.10 C ATOM 765 O GLN A 50 -16.164 -15.592 -14.829 1.00 53.32 O ATOM 766 CB GLN A 50 -13.343 -17.246 -14.569 1.00 5.22 C ATOM 767 CG GLN A 50 -12.197 -18.006 -15.218 1.00 2.44 C ATOM 768 CD GLN A 50 -10.837 -17.504 -14.772 1.00 35.23 C ATOM 769 OE1 GLN A 50 -9.943 -17.290 -15.590 1.00 62.02 O ATOM 770 NE2 GLN A 50 -10.675 -17.314 -13.468 1.00 0.34 N ATOM 0 H GLN A 50 -14.588 -15.884 -16.715 1.00 64.22 H new ATOM 0 HA GLN A 50 -14.918 -18.482 -15.349 1.00 64.31 H new ATOM 0 HB2 GLN A 50 -13.092 -16.186 -14.537 1.00 5.22 H new ATOM 0 HB3 GLN A 50 -13.451 -17.580 -13.537 1.00 5.22 H new ATOM 0 HG2 GLN A 50 -12.286 -19.065 -14.977 1.00 2.44 H new ATOM 0 HG3 GLN A 50 -12.275 -17.918 -16.302 1.00 2.44 H new ATOM 0 HE21 GLN A 50 -11.444 -17.504 -12.825 1.00 0.34 H new ATOM 0 HE22 GLN A 50 -9.782 -16.978 -13.109 1.00 0.34 H new ATOM 779 N ASN A 51 -16.305 -17.394 -13.491 1.00 61.41 N ATOM 780 CA ASN A 51 -17.371 -16.836 -12.667 1.00 4.11 C ATOM 781 C ASN A 51 -17.186 -17.223 -11.203 1.00 21.31 C ATOM 782 O ASN A 51 -17.964 -17.990 -10.635 1.00 11.43 O ATOM 783 CB ASN A 51 -18.735 -17.318 -13.165 1.00 43.53 C ATOM 784 CG ASN A 51 -18.825 -17.332 -14.679 1.00 52.40 C ATOM 785 OD1 ASN A 51 -18.733 -16.289 -15.327 1.00 61.02 O ATOM 786 ND2 ASN A 51 -19.007 -18.517 -15.250 1.00 10.23 N ATOM 0 H ASN A 51 -16.004 -18.328 -13.214 1.00 61.41 H new ATOM 0 HA ASN A 51 -17.326 -15.750 -12.746 1.00 4.11 H new ATOM 0 HB2 ASN A 51 -18.925 -18.321 -12.783 1.00 43.53 H new ATOM 0 HB3 ASN A 51 -19.515 -16.671 -12.763 1.00 43.53 H new ATOM 0 HD21 ASN A 51 -19.076 -18.589 -16.265 1.00 10.23 H new ATOM 0 HD22 ASN A 51 -19.078 -19.355 -14.673 1.00 10.23 H new ATOM 793 N PRO A 52 -16.131 -16.681 -10.576 1.00 72.30 N ATOM 794 CA PRO A 52 -15.820 -16.955 -9.170 1.00 2.51 C ATOM 795 C PRO A 52 -16.832 -16.325 -8.219 1.00 73.40 C ATOM 796 O PRO A 52 -17.650 -15.498 -8.624 1.00 2.01 O ATOM 797 CB PRO A 52 -14.441 -16.317 -8.981 1.00 52.44 C ATOM 798 CG PRO A 52 -14.373 -15.248 -10.018 1.00 32.44 C ATOM 799 CD PRO A 52 -15.162 -15.759 -11.192 1.00 23.55 C ATOM 0 HA PRO A 52 -15.846 -18.022 -8.947 1.00 2.51 H new ATOM 0 HB2 PRO A 52 -14.330 -15.904 -7.978 1.00 52.44 H new ATOM 0 HB3 PRO A 52 -13.644 -17.049 -9.114 1.00 52.44 H new ATOM 0 HG2 PRO A 52 -14.791 -14.314 -9.643 1.00 32.44 H new ATOM 0 HG3 PRO A 52 -13.340 -15.044 -10.301 1.00 32.44 H new ATOM 0 HD2 PRO A 52 -15.660 -14.949 -11.724 1.00 23.55 H new ATOM 0 HD3 PRO A 52 -14.524 -16.270 -11.913 1.00 23.55 H new ATOM 807 N THR A 53 -16.773 -16.722 -6.951 1.00 71.15 N ATOM 808 CA THR A 53 -17.685 -16.198 -5.943 1.00 52.40 C ATOM 809 C THR A 53 -17.473 -14.703 -5.734 1.00 3.33 C ATOM 810 O THR A 53 -16.424 -14.148 -6.062 1.00 64.41 O ATOM 811 CB THR A 53 -17.510 -16.923 -4.596 1.00 32.14 C ATOM 812 OG1 THR A 53 -16.143 -17.313 -4.423 1.00 12.42 O ATOM 813 CG2 THR A 53 -18.406 -18.151 -4.522 1.00 2.55 C ATOM 0 H THR A 53 -16.102 -17.405 -6.599 1.00 71.15 H new ATOM 0 HA THR A 53 -18.696 -16.371 -6.311 1.00 52.40 H new ATOM 0 HB THR A 53 -17.795 -16.236 -3.799 1.00 32.14 H new ATOM 0 HG1 THR A 53 -16.040 -17.772 -3.563 1.00 12.42 H new ATOM 0 HG21 THR A 53 -18.265 -18.647 -3.562 1.00 2.55 H new ATOM 0 HG22 THR A 53 -19.448 -17.848 -4.624 1.00 2.55 H new ATOM 0 HG23 THR A 53 -18.147 -18.839 -5.327 1.00 2.55 H new ATOM 821 N PRO A 54 -18.490 -14.032 -5.173 1.00 74.25 N ATOM 822 CA PRO A 54 -18.438 -12.592 -4.906 1.00 42.25 C ATOM 823 C PRO A 54 -17.464 -12.245 -3.786 1.00 22.24 C ATOM 824 O PRO A 54 -16.639 -11.343 -3.925 1.00 51.35 O ATOM 825 CB PRO A 54 -19.872 -12.255 -4.491 1.00 72.44 C ATOM 826 CG PRO A 54 -20.422 -13.533 -3.959 1.00 72.50 C ATOM 827 CD PRO A 54 -19.771 -14.629 -4.757 1.00 4.11 C ATOM 0 HA PRO A 54 -18.088 -12.030 -5.772 1.00 42.25 H new ATOM 0 HB2 PRO A 54 -19.891 -11.470 -3.735 1.00 72.44 H new ATOM 0 HB3 PRO A 54 -20.455 -11.895 -5.339 1.00 72.44 H new ATOM 0 HG2 PRO A 54 -20.202 -13.640 -2.897 1.00 72.50 H new ATOM 0 HG3 PRO A 54 -21.506 -13.565 -4.065 1.00 72.50 H new ATOM 0 HD2 PRO A 54 -19.620 -15.527 -4.158 1.00 4.11 H new ATOM 0 HD3 PRO A 54 -20.378 -14.916 -5.615 1.00 4.11 H new ATOM 835 N GLU A 55 -17.565 -12.968 -2.675 1.00 31.42 N ATOM 836 CA GLU A 55 -16.692 -12.736 -1.530 1.00 52.32 C ATOM 837 C GLU A 55 -15.229 -12.945 -1.910 1.00 72.33 C ATOM 838 O GLU A 55 -14.337 -12.301 -1.360 1.00 64.32 O ATOM 839 CB GLU A 55 -17.069 -13.667 -0.376 1.00 1.53 C ATOM 840 CG GLU A 55 -18.311 -13.226 0.381 1.00 71.24 C ATOM 841 CD GLU A 55 -18.557 -14.051 1.629 1.00 73.43 C ATOM 842 OE1 GLU A 55 -17.570 -14.485 2.258 1.00 10.14 O ATOM 843 OE2 GLU A 55 -19.738 -14.263 1.976 1.00 72.24 O ATOM 0 H GLU A 55 -18.242 -13.719 -2.544 1.00 31.42 H new ATOM 0 HA GLU A 55 -16.822 -11.702 -1.210 1.00 52.32 H new ATOM 0 HB2 GLU A 55 -17.230 -14.671 -0.768 1.00 1.53 H new ATOM 0 HB3 GLU A 55 -16.232 -13.727 0.320 1.00 1.53 H new ATOM 0 HG2 GLU A 55 -18.210 -12.177 0.658 1.00 71.24 H new ATOM 0 HG3 GLU A 55 -19.178 -13.300 -0.276 1.00 71.24 H new ATOM 850 N GLU A 56 -14.993 -13.851 -2.854 1.00 61.12 N ATOM 851 CA GLU A 56 -13.639 -14.146 -3.307 1.00 25.54 C ATOM 852 C GLU A 56 -13.024 -12.939 -4.009 1.00 30.01 C ATOM 853 O GLU A 56 -11.811 -12.732 -3.965 1.00 65.23 O ATOM 854 CB GLU A 56 -13.644 -15.351 -4.250 1.00 65.11 C ATOM 855 CG GLU A 56 -13.251 -16.654 -3.575 1.00 62.52 C ATOM 856 CD GLU A 56 -12.960 -17.762 -4.569 1.00 43.24 C ATOM 857 OE1 GLU A 56 -12.755 -17.451 -5.761 1.00 71.03 O ATOM 858 OE2 GLU A 56 -12.936 -18.940 -4.155 1.00 15.43 O ATOM 0 H GLU A 56 -15.721 -14.393 -3.319 1.00 61.12 H new ATOM 0 HA GLU A 56 -13.034 -14.381 -2.431 1.00 25.54 H new ATOM 0 HB2 GLU A 56 -14.639 -15.461 -4.681 1.00 65.11 H new ATOM 0 HB3 GLU A 56 -12.959 -15.158 -5.076 1.00 65.11 H new ATOM 0 HG2 GLU A 56 -12.370 -16.486 -2.955 1.00 62.52 H new ATOM 0 HG3 GLU A 56 -14.054 -16.970 -2.909 1.00 62.52 H new ATOM 865 N LEU A 57 -13.870 -12.145 -4.656 1.00 63.13 N ATOM 866 CA LEU A 57 -13.411 -10.958 -5.369 1.00 52.22 C ATOM 867 C LEU A 57 -12.891 -9.905 -4.396 1.00 13.04 C ATOM 868 O LEU A 57 -11.755 -9.447 -4.511 1.00 60.04 O ATOM 869 CB LEU A 57 -14.547 -10.374 -6.211 1.00 11.20 C ATOM 870 CG LEU A 57 -14.499 -10.681 -7.708 1.00 52.42 C ATOM 871 CD1 LEU A 57 -14.889 -12.127 -7.969 1.00 62.24 C ATOM 872 CD2 LEU A 57 -15.410 -9.734 -8.476 1.00 52.00 C ATOM 0 H LEU A 57 -14.877 -12.301 -4.702 1.00 63.13 H new ATOM 0 HA LEU A 57 -12.594 -11.253 -6.027 1.00 52.22 H new ATOM 0 HB2 LEU A 57 -15.493 -10.743 -5.815 1.00 11.20 H new ATOM 0 HB3 LEU A 57 -14.548 -9.292 -6.082 1.00 11.20 H new ATOM 0 HG LEU A 57 -13.477 -10.533 -8.057 1.00 52.42 H new ATOM 0 HD11 LEU A 57 -14.849 -12.327 -9.040 1.00 62.24 H new ATOM 0 HD12 LEU A 57 -14.197 -12.790 -7.450 1.00 62.24 H new ATOM 0 HD13 LEU A 57 -15.901 -12.302 -7.605 1.00 62.24 H new ATOM 0 HD21 LEU A 57 -15.363 -9.967 -9.540 1.00 52.00 H new ATOM 0 HD22 LEU A 57 -16.435 -9.850 -8.124 1.00 52.00 H new ATOM 0 HD23 LEU A 57 -15.085 -8.706 -8.315 1.00 52.00 H new ATOM 884 N GLN A 58 -13.730 -9.528 -3.436 1.00 73.12 N ATOM 885 CA GLN A 58 -13.354 -8.530 -2.441 1.00 70.55 C ATOM 886 C GLN A 58 -12.124 -8.978 -1.660 1.00 25.53 C ATOM 887 O GLN A 58 -11.383 -8.154 -1.125 1.00 32.14 O ATOM 888 CB GLN A 58 -14.517 -8.273 -1.482 1.00 2.24 C ATOM 889 CG GLN A 58 -14.123 -7.474 -0.250 1.00 11.23 C ATOM 890 CD GLN A 58 -13.629 -6.082 -0.590 1.00 53.44 C ATOM 891 OE1 GLN A 58 -14.345 -5.290 -1.205 1.00 4.44 O ATOM 892 NE2 GLN A 58 -12.400 -5.775 -0.192 1.00 71.32 N ATOM 0 H GLN A 58 -14.674 -9.898 -3.326 1.00 73.12 H new ATOM 0 HA GLN A 58 -13.112 -7.604 -2.964 1.00 70.55 H new ATOM 0 HB2 GLN A 58 -15.305 -7.740 -2.014 1.00 2.24 H new ATOM 0 HB3 GLN A 58 -14.935 -9.229 -1.167 1.00 2.24 H new ATOM 0 HG2 GLN A 58 -14.981 -7.398 0.418 1.00 11.23 H new ATOM 0 HG3 GLN A 58 -13.343 -8.010 0.292 1.00 11.23 H new ATOM 0 HE21 GLN A 58 -11.842 -6.462 0.315 1.00 71.32 H new ATOM 0 HE22 GLN A 58 -12.014 -4.852 -0.393 1.00 71.32 H new ATOM 901 N GLU A 59 -11.912 -10.290 -1.598 1.00 54.52 N ATOM 902 CA GLU A 59 -10.772 -10.846 -0.880 1.00 62.02 C ATOM 903 C GLU A 59 -9.458 -10.337 -1.467 1.00 14.52 C ATOM 904 O GLU A 59 -8.620 -9.787 -0.753 1.00 65.41 O ATOM 905 CB GLU A 59 -10.806 -12.375 -0.930 1.00 11.01 C ATOM 906 CG GLU A 59 -11.096 -13.021 0.414 1.00 34.32 C ATOM 907 CD GLU A 59 -9.945 -12.879 1.391 1.00 70.44 C ATOM 908 OE1 GLU A 59 -8.780 -12.934 0.945 1.00 43.44 O ATOM 909 OE2 GLU A 59 -10.209 -12.714 2.600 1.00 63.41 O ATOM 0 H GLU A 59 -12.515 -10.986 -2.036 1.00 54.52 H new ATOM 0 HA GLU A 59 -10.836 -10.521 0.159 1.00 62.02 H new ATOM 0 HB2 GLU A 59 -11.565 -12.690 -1.646 1.00 11.01 H new ATOM 0 HB3 GLU A 59 -9.848 -12.740 -1.300 1.00 11.01 H new ATOM 0 HG2 GLU A 59 -11.990 -12.570 0.844 1.00 34.32 H new ATOM 0 HG3 GLU A 59 -11.313 -14.079 0.265 1.00 34.32 H new ATOM 916 N MET A 60 -9.288 -10.524 -2.771 1.00 41.44 N ATOM 917 CA MET A 60 -8.077 -10.083 -3.454 1.00 52.55 C ATOM 918 C MET A 60 -8.015 -8.560 -3.521 1.00 42.14 C ATOM 919 O MET A 60 -6.937 -7.970 -3.445 1.00 3.12 O ATOM 920 CB MET A 60 -8.020 -10.670 -4.866 1.00 42.51 C ATOM 921 CG MET A 60 -7.595 -12.129 -4.901 1.00 14.33 C ATOM 922 SD MET A 60 -5.807 -12.335 -4.791 1.00 54.22 S ATOM 923 CE MET A 60 -5.622 -12.771 -3.064 1.00 70.30 C ATOM 0 H MET A 60 -9.973 -10.978 -3.376 1.00 41.44 H new ATOM 0 HA MET A 60 -7.218 -10.439 -2.885 1.00 52.55 H new ATOM 0 HB2 MET A 60 -9.002 -10.575 -5.330 1.00 42.51 H new ATOM 0 HB3 MET A 60 -7.325 -10.083 -5.467 1.00 42.51 H new ATOM 0 HG2 MET A 60 -8.069 -12.661 -4.077 1.00 14.33 H new ATOM 0 HG3 MET A 60 -7.953 -12.586 -5.824 1.00 14.33 H new ATOM 0 HE1 MET A 60 -4.867 -12.132 -2.606 1.00 70.30 H new ATOM 0 HE2 MET A 60 -6.573 -12.634 -2.550 1.00 70.30 H new ATOM 0 HE3 MET A 60 -5.313 -13.813 -2.983 1.00 70.30 H new ATOM 933 N ILE A 61 -9.176 -7.930 -3.665 1.00 31.40 N ATOM 934 CA ILE A 61 -9.252 -6.477 -3.741 1.00 52.24 C ATOM 935 C ILE A 61 -8.863 -5.835 -2.414 1.00 32.43 C ATOM 936 O ILE A 61 -8.459 -4.673 -2.369 1.00 35.23 O ATOM 937 CB ILE A 61 -10.666 -6.007 -4.131 1.00 51.30 C ATOM 938 CG1 ILE A 61 -11.008 -6.467 -5.550 1.00 25.44 C ATOM 939 CG2 ILE A 61 -10.770 -4.493 -4.020 1.00 52.14 C ATOM 940 CD1 ILE A 61 -12.367 -6.005 -6.024 1.00 52.23 C ATOM 0 H ILE A 61 -10.077 -8.404 -3.731 1.00 31.40 H new ATOM 0 HA ILE A 61 -8.548 -6.165 -4.512 1.00 52.24 H new ATOM 0 HB ILE A 61 -11.384 -6.453 -3.442 1.00 51.30 H new ATOM 0 HG12 ILE A 61 -10.247 -6.096 -6.237 1.00 25.44 H new ATOM 0 HG13 ILE A 61 -10.969 -7.556 -5.590 1.00 25.44 H new ATOM 0 HG21 ILE A 61 -11.775 -4.176 -4.299 1.00 52.14 H new ATOM 0 HG22 ILE A 61 -10.565 -4.188 -2.994 1.00 52.14 H new ATOM 0 HG23 ILE A 61 -10.045 -4.029 -4.688 1.00 52.14 H new ATOM 0 HD11 ILE A 61 -12.542 -6.368 -7.037 1.00 52.23 H new ATOM 0 HD12 ILE A 61 -13.137 -6.398 -5.360 1.00 52.23 H new ATOM 0 HD13 ILE A 61 -12.404 -4.916 -6.017 1.00 52.23 H new ATOM 952 N ASP A 62 -8.986 -6.601 -1.335 1.00 0.10 N ATOM 953 CA ASP A 62 -8.644 -6.109 -0.005 1.00 54.34 C ATOM 954 C ASP A 62 -7.144 -5.863 0.114 1.00 3.40 C ATOM 955 O ASP A 62 -6.713 -4.795 0.549 1.00 34.14 O ATOM 956 CB ASP A 62 -9.097 -7.106 1.063 1.00 41.24 C ATOM 957 CG ASP A 62 -9.115 -6.498 2.451 1.00 34.03 C ATOM 958 OD1 ASP A 62 -8.074 -6.556 3.138 1.00 33.50 O ATOM 959 OD2 ASP A 62 -10.171 -5.965 2.852 1.00 55.41 O ATOM 0 H ASP A 62 -9.320 -7.565 -1.355 1.00 0.10 H new ATOM 0 HA ASP A 62 -9.162 -5.163 0.150 1.00 54.34 H new ATOM 0 HB2 ASP A 62 -10.094 -7.471 0.816 1.00 41.24 H new ATOM 0 HB3 ASP A 62 -8.431 -7.969 1.056 1.00 41.24 H new ATOM 964 N GLU A 63 -6.353 -6.858 -0.275 1.00 20.14 N ATOM 965 CA GLU A 63 -4.900 -6.749 -0.209 1.00 34.23 C ATOM 966 C GLU A 63 -4.379 -5.783 -1.268 1.00 44.22 C ATOM 967 O GLU A 63 -3.295 -5.216 -1.128 1.00 64.41 O ATOM 968 CB GLU A 63 -4.255 -8.124 -0.394 1.00 43.14 C ATOM 969 CG GLU A 63 -3.226 -8.462 0.671 1.00 22.12 C ATOM 970 CD GLU A 63 -1.998 -7.575 0.599 1.00 61.32 C ATOM 971 OE1 GLU A 63 -2.087 -6.402 1.016 1.00 54.22 O ATOM 972 OE2 GLU A 63 -0.947 -8.056 0.125 1.00 41.20 O ATOM 0 H GLU A 63 -6.693 -7.748 -0.639 1.00 20.14 H new ATOM 0 HA GLU A 63 -4.634 -6.361 0.774 1.00 34.23 H new ATOM 0 HB2 GLU A 63 -5.035 -8.885 -0.388 1.00 43.14 H new ATOM 0 HB3 GLU A 63 -3.778 -8.163 -1.373 1.00 43.14 H new ATOM 0 HG2 GLU A 63 -3.683 -8.364 1.656 1.00 22.12 H new ATOM 0 HG3 GLU A 63 -2.924 -9.504 0.561 1.00 22.12 H new ATOM 979 N VAL A 64 -5.158 -5.600 -2.329 1.00 52.13 N ATOM 980 CA VAL A 64 -4.776 -4.702 -3.413 1.00 34.31 C ATOM 981 C VAL A 64 -5.089 -3.252 -3.061 1.00 63.23 C ATOM 982 O VAL A 64 -4.222 -2.382 -3.145 1.00 50.25 O ATOM 983 CB VAL A 64 -5.497 -5.068 -4.724 1.00 43.44 C ATOM 984 CG1 VAL A 64 -5.156 -4.066 -5.818 1.00 31.43 C ATOM 985 CG2 VAL A 64 -5.136 -6.482 -5.154 1.00 10.31 C ATOM 0 H VAL A 64 -6.058 -6.062 -2.461 1.00 52.13 H new ATOM 0 HA VAL A 64 -3.701 -4.814 -3.554 1.00 34.31 H new ATOM 0 HB VAL A 64 -6.572 -5.029 -4.550 1.00 43.44 H new ATOM 0 HG11 VAL A 64 -5.674 -4.340 -6.737 1.00 31.43 H new ATOM 0 HG12 VAL A 64 -5.469 -3.069 -5.509 1.00 31.43 H new ATOM 0 HG13 VAL A 64 -4.080 -4.070 -5.993 1.00 31.43 H new ATOM 0 HG21 VAL A 64 -5.654 -6.724 -6.082 1.00 10.31 H new ATOM 0 HG22 VAL A 64 -4.060 -6.551 -5.311 1.00 10.31 H new ATOM 0 HG23 VAL A 64 -5.435 -7.186 -4.377 1.00 10.31 H new ATOM 995 N ASP A 65 -6.332 -3.000 -2.667 1.00 3.44 N ATOM 996 CA ASP A 65 -6.759 -1.654 -2.300 1.00 20.31 C ATOM 997 C ASP A 65 -5.994 -1.155 -1.078 1.00 32.42 C ATOM 998 O ASP A 65 -6.272 -1.564 0.049 1.00 61.41 O ATOM 999 CB ASP A 65 -8.262 -1.632 -2.020 1.00 74.30 C ATOM 1000 CG ASP A 65 -8.866 -0.254 -2.207 1.00 21.12 C ATOM 1001 OD1 ASP A 65 -8.112 0.739 -2.131 1.00 54.23 O ATOM 1002 OD2 ASP A 65 -10.092 -0.169 -2.429 1.00 44.23 O ATOM 0 H ASP A 65 -7.062 -3.709 -2.593 1.00 3.44 H new ATOM 0 HA ASP A 65 -6.543 -0.990 -3.137 1.00 20.31 H new ATOM 0 HB2 ASP A 65 -8.762 -2.338 -2.683 1.00 74.30 H new ATOM 0 HB3 ASP A 65 -8.443 -1.970 -1.000 1.00 74.30 H new ATOM 1007 N GLU A 66 -5.030 -0.271 -1.310 1.00 43.52 N ATOM 1008 CA GLU A 66 -4.224 0.282 -0.228 1.00 1.13 C ATOM 1009 C GLU A 66 -5.085 1.106 0.726 1.00 70.43 C ATOM 1010 O GLU A 66 -4.876 1.089 1.939 1.00 54.11 O ATOM 1011 CB GLU A 66 -3.097 1.149 -0.792 1.00 42.25 C ATOM 1012 CG GLU A 66 -3.590 2.370 -1.550 1.00 42.34 C ATOM 1013 CD GLU A 66 -3.708 3.597 -0.667 1.00 5.11 C ATOM 1014 OE1 GLU A 66 -3.517 3.464 0.560 1.00 32.03 O ATOM 1015 OE2 GLU A 66 -3.990 4.689 -1.202 1.00 11.31 O ATOM 0 H GLU A 66 -4.788 0.078 -2.237 1.00 43.52 H new ATOM 0 HA GLU A 66 -3.790 -0.549 0.327 1.00 1.13 H new ATOM 0 HB2 GLU A 66 -2.456 1.475 0.027 1.00 42.25 H new ATOM 0 HB3 GLU A 66 -2.482 0.543 -1.457 1.00 42.25 H new ATOM 0 HG2 GLU A 66 -2.907 2.583 -2.372 1.00 42.34 H new ATOM 0 HG3 GLU A 66 -4.562 2.150 -1.992 1.00 42.34 H new ATOM 1022 N ASP A 67 -6.052 1.825 0.168 1.00 53.12 N ATOM 1023 CA ASP A 67 -6.946 2.655 0.967 1.00 0.23 C ATOM 1024 C ASP A 67 -8.255 1.926 1.253 1.00 61.41 C ATOM 1025 O ASP A 67 -9.081 2.394 2.035 1.00 4.32 O ATOM 1026 CB ASP A 67 -7.230 3.975 0.249 1.00 43.24 C ATOM 1027 CG ASP A 67 -7.546 3.778 -1.221 1.00 34.12 C ATOM 1028 OD1 ASP A 67 -8.620 3.217 -1.527 1.00 23.13 O ATOM 1029 OD2 ASP A 67 -6.722 4.185 -2.065 1.00 4.20 O ATOM 0 H ASP A 67 -6.237 1.850 -0.835 1.00 53.12 H new ATOM 0 HA ASP A 67 -6.453 2.865 1.916 1.00 0.23 H new ATOM 0 HB2 ASP A 67 -8.068 4.476 0.734 1.00 43.24 H new ATOM 0 HB3 ASP A 67 -6.366 4.632 0.347 1.00 43.24 H new ATOM 1034 N GLY A 68 -8.438 0.775 0.612 1.00 43.23 N ATOM 1035 CA GLY A 68 -9.649 0.000 0.809 1.00 4.22 C ATOM 1036 C GLY A 68 -10.904 0.827 0.617 1.00 12.41 C ATOM 1037 O GLY A 68 -11.820 0.779 1.439 1.00 65.32 O ATOM 0 H GLY A 68 -7.769 0.366 -0.040 1.00 43.23 H new ATOM 0 HA2 GLY A 68 -9.659 -0.837 0.111 1.00 4.22 H new ATOM 0 HA3 GLY A 68 -9.647 -0.423 1.814 1.00 4.22 H new ATOM 1041 N SER A 69 -10.948 1.591 -0.470 1.00 63.43 N ATOM 1042 CA SER A 69 -12.098 2.437 -0.765 1.00 32.32 C ATOM 1043 C SER A 69 -13.253 1.609 -1.321 1.00 41.20 C ATOM 1044 O SER A 69 -14.346 2.124 -1.551 1.00 13.21 O ATOM 1045 CB SER A 69 -11.712 3.530 -1.763 1.00 62.32 C ATOM 1046 OG SER A 69 -10.885 3.012 -2.791 1.00 4.41 O ATOM 0 H SER A 69 -10.200 1.641 -1.161 1.00 63.43 H new ATOM 0 HA SER A 69 -12.423 2.903 0.165 1.00 32.32 H new ATOM 0 HB2 SER A 69 -12.612 3.963 -2.199 1.00 62.32 H new ATOM 0 HB3 SER A 69 -11.191 4.334 -1.243 1.00 62.32 H new ATOM 0 HG SER A 69 -9.949 3.040 -2.503 1.00 4.41 H new ATOM 1052 N GLY A 70 -13.001 0.321 -1.535 1.00 43.32 N ATOM 1053 CA GLY A 70 -14.028 -0.558 -2.063 1.00 5.03 C ATOM 1054 C GLY A 70 -13.854 -0.829 -3.544 1.00 24.41 C ATOM 1055 O GLY A 70 -14.585 -1.631 -4.127 1.00 1.23 O ATOM 0 H GLY A 70 -12.104 -0.129 -1.352 1.00 43.32 H new ATOM 0 HA2 GLY A 70 -14.008 -1.502 -1.519 1.00 5.03 H new ATOM 0 HA3 GLY A 70 -15.007 -0.112 -1.891 1.00 5.03 H new ATOM 1059 N THR A 71 -12.883 -0.159 -4.157 1.00 1.01 N ATOM 1060 CA THR A 71 -12.617 -0.329 -5.580 1.00 21.44 C ATOM 1061 C THR A 71 -11.124 -0.234 -5.875 1.00 74.42 C ATOM 1062 O THR A 71 -10.332 0.137 -5.009 1.00 71.50 O ATOM 1063 CB THR A 71 -13.363 0.723 -6.421 1.00 13.12 C ATOM 1064 OG1 THR A 71 -12.920 2.038 -6.066 1.00 34.21 O ATOM 1065 CG2 THR A 71 -14.866 0.615 -6.213 1.00 14.53 C ATOM 0 H THR A 71 -12.268 0.507 -3.690 1.00 1.01 H new ATOM 0 HA THR A 71 -12.976 -1.321 -5.852 1.00 21.44 H new ATOM 0 HB THR A 71 -13.144 0.538 -7.473 1.00 13.12 H new ATOM 0 HG1 THR A 71 -13.651 2.677 -6.201 1.00 34.21 H new ATOM 0 HG21 THR A 71 -15.372 1.368 -6.817 1.00 14.53 H new ATOM 0 HG22 THR A 71 -15.204 -0.377 -6.512 1.00 14.53 H new ATOM 0 HG23 THR A 71 -15.100 0.777 -5.161 1.00 14.53 H new ATOM 1073 N VAL A 72 -10.747 -0.571 -7.104 1.00 64.14 N ATOM 1074 CA VAL A 72 -9.348 -0.522 -7.515 1.00 14.12 C ATOM 1075 C VAL A 72 -9.077 0.691 -8.398 1.00 73.21 C ATOM 1076 O VAL A 72 -9.868 1.015 -9.285 1.00 24.03 O ATOM 1077 CB VAL A 72 -8.941 -1.798 -8.275 1.00 34.20 C ATOM 1078 CG1 VAL A 72 -9.070 -1.590 -9.776 1.00 52.22 C ATOM 1079 CG2 VAL A 72 -7.524 -2.209 -7.905 1.00 52.00 C ATOM 0 H VAL A 72 -11.390 -0.881 -7.833 1.00 64.14 H new ATOM 0 HA VAL A 72 -8.753 -0.445 -6.605 1.00 14.12 H new ATOM 0 HB VAL A 72 -9.616 -2.603 -7.985 1.00 34.20 H new ATOM 0 HG11 VAL A 72 -8.778 -2.502 -10.296 1.00 52.22 H new ATOM 0 HG12 VAL A 72 -10.104 -1.347 -10.022 1.00 52.22 H new ATOM 0 HG13 VAL A 72 -8.421 -0.771 -10.087 1.00 52.22 H new ATOM 0 HG21 VAL A 72 -7.253 -3.112 -8.451 1.00 52.00 H new ATOM 0 HG22 VAL A 72 -6.833 -1.407 -8.164 1.00 52.00 H new ATOM 0 HG23 VAL A 72 -7.469 -2.403 -6.834 1.00 52.00 H new ATOM 1089 N ASP A 73 -7.955 1.357 -8.150 1.00 71.03 N ATOM 1090 CA ASP A 73 -7.578 2.534 -8.924 1.00 61.03 C ATOM 1091 C ASP A 73 -6.439 2.210 -9.886 1.00 60.10 C ATOM 1092 O ASP A 73 -5.796 1.166 -9.774 1.00 2.02 O ATOM 1093 CB ASP A 73 -7.165 3.674 -7.991 1.00 73.43 C ATOM 1094 CG ASP A 73 -7.287 5.034 -8.650 1.00 24.32 C ATOM 1095 OD1 ASP A 73 -8.299 5.269 -9.341 1.00 51.44 O ATOM 1096 OD2 ASP A 73 -6.369 5.862 -8.474 1.00 45.24 O ATOM 0 H ASP A 73 -7.291 1.102 -7.419 1.00 71.03 H new ATOM 0 HA ASP A 73 -8.444 2.847 -9.507 1.00 61.03 H new ATOM 0 HB2 ASP A 73 -7.786 3.650 -7.096 1.00 73.43 H new ATOM 0 HB3 ASP A 73 -6.135 3.521 -7.668 1.00 73.43 H new ATOM 1101 N PHE A 74 -6.196 3.111 -10.832 1.00 64.11 N ATOM 1102 CA PHE A 74 -5.136 2.920 -11.815 1.00 44.01 C ATOM 1103 C PHE A 74 -3.815 2.577 -11.132 1.00 33.24 C ATOM 1104 O PHE A 74 -3.027 1.781 -11.644 1.00 12.44 O ATOM 1105 CB PHE A 74 -4.969 4.179 -12.668 1.00 11.40 C ATOM 1106 CG PHE A 74 -3.912 4.051 -13.727 1.00 24.12 C ATOM 1107 CD1 PHE A 74 -3.683 2.836 -14.352 1.00 40.05 C ATOM 1108 CD2 PHE A 74 -3.146 5.145 -14.096 1.00 23.01 C ATOM 1109 CE1 PHE A 74 -2.711 2.714 -15.328 1.00 2.45 C ATOM 1110 CE2 PHE A 74 -2.173 5.029 -15.071 1.00 5.55 C ATOM 1111 CZ PHE A 74 -1.954 3.813 -15.686 1.00 61.51 C ATOM 0 H PHE A 74 -6.719 3.980 -10.939 1.00 64.11 H new ATOM 0 HA PHE A 74 -5.419 2.087 -12.459 1.00 44.01 H new ATOM 0 HB2 PHE A 74 -5.921 4.415 -13.143 1.00 11.40 H new ATOM 0 HB3 PHE A 74 -4.721 5.018 -12.018 1.00 11.40 H new ATOM 0 HD1 PHE A 74 -4.271 1.974 -14.074 1.00 40.05 H new ATOM 0 HD2 PHE A 74 -3.311 6.099 -13.617 1.00 23.01 H new ATOM 0 HE1 PHE A 74 -2.544 1.762 -15.809 1.00 2.45 H new ATOM 0 HE2 PHE A 74 -1.584 5.890 -15.351 1.00 5.55 H new ATOM 0 HZ PHE A 74 -1.192 3.721 -16.446 1.00 61.51 H new ATOM 1121 N ASP A 75 -3.581 3.183 -9.973 1.00 31.42 N ATOM 1122 CA ASP A 75 -2.357 2.942 -9.218 1.00 20.33 C ATOM 1123 C ASP A 75 -2.273 1.486 -8.770 1.00 25.13 C ATOM 1124 O ASP A 75 -1.337 0.770 -9.127 1.00 54.50 O ATOM 1125 CB ASP A 75 -2.292 3.867 -8.002 1.00 11.04 C ATOM 1126 CG ASP A 75 -2.418 5.330 -8.380 1.00 32.32 C ATOM 1127 OD1 ASP A 75 -3.563 5.814 -8.505 1.00 63.15 O ATOM 1128 OD2 ASP A 75 -1.372 5.991 -8.549 1.00 75.42 O ATOM 0 H ASP A 75 -4.223 3.845 -9.536 1.00 31.42 H new ATOM 0 HA ASP A 75 -1.510 3.152 -9.870 1.00 20.33 H new ATOM 0 HB2 ASP A 75 -3.089 3.605 -7.306 1.00 11.04 H new ATOM 0 HB3 ASP A 75 -1.348 3.710 -7.479 1.00 11.04 H new ATOM 1133 N GLU A 76 -3.255 1.055 -7.985 1.00 13.52 N ATOM 1134 CA GLU A 76 -3.290 -0.315 -7.487 1.00 0.41 C ATOM 1135 C GLU A 76 -3.434 -1.308 -8.636 1.00 52.24 C ATOM 1136 O GLU A 76 -3.015 -2.460 -8.531 1.00 34.53 O ATOM 1137 CB GLU A 76 -4.443 -0.492 -6.497 1.00 74.12 C ATOM 1138 CG GLU A 76 -4.328 0.388 -5.264 1.00 32.00 C ATOM 1139 CD GLU A 76 -5.678 0.844 -4.745 1.00 2.13 C ATOM 1140 OE1 GLU A 76 -6.693 0.202 -5.088 1.00 24.15 O ATOM 1141 OE2 GLU A 76 -5.720 1.843 -3.996 1.00 64.32 O ATOM 0 H GLU A 76 -4.037 1.635 -7.680 1.00 13.52 H new ATOM 0 HA GLU A 76 -2.348 -0.513 -6.975 1.00 0.41 H new ATOM 0 HB2 GLU A 76 -5.383 -0.272 -7.004 1.00 74.12 H new ATOM 0 HB3 GLU A 76 -4.486 -1.536 -6.185 1.00 74.12 H new ATOM 0 HG2 GLU A 76 -3.807 -0.160 -4.479 1.00 32.00 H new ATOM 0 HG3 GLU A 76 -3.720 1.261 -5.501 1.00 32.00 H new ATOM 1148 N TRP A 77 -4.030 -0.852 -9.732 1.00 62.14 N ATOM 1149 CA TRP A 77 -4.230 -1.700 -10.902 1.00 32.30 C ATOM 1150 C TRP A 77 -2.901 -2.019 -11.578 1.00 11.42 C ATOM 1151 O TRP A 77 -2.706 -3.117 -12.099 1.00 24.52 O ATOM 1152 CB TRP A 77 -5.172 -1.019 -11.896 1.00 42.13 C ATOM 1153 CG TRP A 77 -5.822 -1.975 -12.849 1.00 74.43 C ATOM 1154 CD1 TRP A 77 -7.048 -2.563 -12.713 1.00 2.55 C ATOM 1155 CD2 TRP A 77 -5.280 -2.456 -14.084 1.00 74.41 C ATOM 1156 NE1 TRP A 77 -7.300 -3.380 -13.788 1.00 13.30 N ATOM 1157 CE2 TRP A 77 -6.232 -3.331 -14.644 1.00 20.41 C ATOM 1158 CE3 TRP A 77 -4.085 -2.232 -14.772 1.00 52.24 C ATOM 1159 CZ2 TRP A 77 -6.022 -3.981 -15.858 1.00 14.43 C ATOM 1160 CZ3 TRP A 77 -3.879 -2.877 -15.977 1.00 24.13 C ATOM 1161 CH2 TRP A 77 -4.843 -3.742 -16.510 1.00 33.31 C ATOM 0 H TRP A 77 -4.383 0.099 -9.835 1.00 62.14 H new ATOM 0 HA TRP A 77 -4.680 -2.635 -10.569 1.00 32.30 H new ATOM 0 HB2 TRP A 77 -5.946 -0.485 -11.345 1.00 42.13 H new ATOM 0 HB3 TRP A 77 -4.613 -0.275 -12.464 1.00 42.13 H new ATOM 0 HD1 TRP A 77 -7.720 -2.408 -11.882 1.00 2.55 H new ATOM 0 HE1 TRP A 77 -8.146 -3.934 -13.926 1.00 13.30 H new ATOM 0 HE3 TRP A 77 -3.335 -1.567 -14.370 1.00 52.24 H new ATOM 0 HZ2 TRP A 77 -6.763 -4.650 -16.270 1.00 14.43 H new ATOM 0 HZ3 TRP A 77 -2.959 -2.711 -16.517 1.00 24.13 H new ATOM 0 HH2 TRP A 77 -4.652 -4.230 -17.454 1.00 33.31 H new ATOM 1172 N LEU A 78 -1.990 -1.052 -11.566 1.00 40.10 N ATOM 1173 CA LEU A 78 -0.678 -1.230 -12.178 1.00 42.22 C ATOM 1174 C LEU A 78 0.156 -2.238 -11.395 1.00 23.32 C ATOM 1175 O LEU A 78 0.725 -3.168 -11.968 1.00 1.23 O ATOM 1176 CB LEU A 78 0.058 0.109 -12.253 1.00 12.34 C ATOM 1177 CG LEU A 78 -0.328 1.023 -13.416 1.00 52.40 C ATOM 1178 CD1 LEU A 78 -0.440 2.466 -12.947 1.00 64.13 C ATOM 1179 CD2 LEU A 78 0.684 0.905 -14.546 1.00 70.41 C ATOM 0 H LEU A 78 -2.136 -0.137 -11.139 1.00 40.10 H new ATOM 0 HA LEU A 78 -0.825 -1.614 -13.188 1.00 42.22 H new ATOM 0 HB2 LEU A 78 -0.114 0.648 -11.321 1.00 12.34 H new ATOM 0 HB3 LEU A 78 1.128 -0.090 -12.313 1.00 12.34 H new ATOM 0 HG LEU A 78 -1.301 0.708 -13.792 1.00 52.40 H new ATOM 0 HD11 LEU A 78 -0.715 3.102 -13.788 1.00 64.13 H new ATOM 0 HD12 LEU A 78 -1.203 2.539 -12.172 1.00 64.13 H new ATOM 0 HD13 LEU A 78 0.518 2.793 -12.544 1.00 64.13 H new ATOM 0 HD21 LEU A 78 0.393 1.563 -15.365 1.00 70.41 H new ATOM 0 HD22 LEU A 78 1.670 1.193 -14.182 1.00 70.41 H new ATOM 0 HD23 LEU A 78 0.714 -0.125 -14.901 1.00 70.41 H new ATOM 1191 N VAL A 79 0.223 -2.050 -10.081 1.00 3.43 N ATOM 1192 CA VAL A 79 0.985 -2.944 -9.218 1.00 31.44 C ATOM 1193 C VAL A 79 0.424 -4.361 -9.264 1.00 24.43 C ATOM 1194 O VAL A 79 1.159 -5.336 -9.105 1.00 41.21 O ATOM 1195 CB VAL A 79 0.985 -2.451 -7.758 1.00 61.44 C ATOM 1196 CG1 VAL A 79 1.757 -1.147 -7.635 1.00 44.25 C ATOM 1197 CG2 VAL A 79 -0.440 -2.287 -7.252 1.00 41.30 C ATOM 0 H VAL A 79 -0.242 -1.286 -9.591 1.00 3.43 H new ATOM 0 HA VAL A 79 2.009 -2.948 -9.592 1.00 31.44 H new ATOM 0 HB VAL A 79 1.482 -3.199 -7.140 1.00 61.44 H new ATOM 0 HG11 VAL A 79 1.746 -0.814 -6.597 1.00 44.25 H new ATOM 0 HG12 VAL A 79 2.787 -1.302 -7.955 1.00 44.25 H new ATOM 0 HG13 VAL A 79 1.292 -0.388 -8.264 1.00 44.25 H new ATOM 0 HG21 VAL A 79 -0.422 -1.938 -6.219 1.00 41.30 H new ATOM 0 HG22 VAL A 79 -0.965 -1.560 -7.871 1.00 41.30 H new ATOM 0 HG23 VAL A 79 -0.956 -3.246 -7.302 1.00 41.30 H new ATOM 1207 N MET A 80 -0.882 -4.468 -9.483 1.00 31.24 N ATOM 1208 CA MET A 80 -1.541 -5.767 -9.552 1.00 34.15 C ATOM 1209 C MET A 80 -0.820 -6.692 -10.527 1.00 12.20 C ATOM 1210 O MET A 80 -0.604 -7.868 -10.237 1.00 4.14 O ATOM 1211 CB MET A 80 -3.002 -5.600 -9.975 1.00 11.25 C ATOM 1212 CG MET A 80 -3.740 -6.918 -10.145 1.00 51.33 C ATOM 1213 SD MET A 80 -5.511 -6.694 -10.404 1.00 5.14 S ATOM 1214 CE MET A 80 -5.513 -5.351 -11.588 1.00 43.44 C ATOM 0 H MET A 80 -1.505 -3.671 -9.616 1.00 31.24 H new ATOM 0 HA MET A 80 -1.507 -6.217 -8.560 1.00 34.15 H new ATOM 0 HB2 MET A 80 -3.521 -4.996 -9.230 1.00 11.25 H new ATOM 0 HB3 MET A 80 -3.039 -5.049 -10.914 1.00 11.25 H new ATOM 0 HG2 MET A 80 -3.318 -7.459 -10.992 1.00 51.33 H new ATOM 0 HG3 MET A 80 -3.581 -7.536 -9.261 1.00 51.33 H new ATOM 0 HE1 MET A 80 -6.416 -5.403 -12.196 1.00 43.44 H new ATOM 0 HE2 MET A 80 -5.486 -4.399 -11.058 1.00 43.44 H new ATOM 0 HE3 MET A 80 -4.637 -5.432 -12.232 1.00 43.44 H new ATOM 1224 N MET A 81 -0.451 -6.152 -11.684 1.00 73.21 N ATOM 1225 CA MET A 81 0.246 -6.930 -12.702 1.00 5.24 C ATOM 1226 C MET A 81 1.644 -7.317 -12.227 1.00 14.20 C ATOM 1227 O MET A 81 2.070 -8.459 -12.391 1.00 24.34 O ATOM 1228 CB MET A 81 0.340 -6.136 -14.006 1.00 11.21 C ATOM 1229 CG MET A 81 0.197 -6.995 -15.252 1.00 11.22 C ATOM 1230 SD MET A 81 -1.489 -7.585 -15.499 1.00 1.12 S ATOM 1231 CE MET A 81 -2.343 -6.044 -15.825 1.00 24.44 C ATOM 0 H MET A 81 -0.623 -5.180 -11.940 1.00 73.21 H new ATOM 0 HA MET A 81 -0.324 -7.842 -12.881 1.00 5.24 H new ATOM 0 HB2 MET A 81 -0.435 -5.370 -14.012 1.00 11.21 H new ATOM 0 HB3 MET A 81 1.299 -5.619 -14.039 1.00 11.21 H new ATOM 0 HG2 MET A 81 0.507 -6.419 -16.124 1.00 11.22 H new ATOM 0 HG3 MET A 81 0.870 -7.849 -15.179 1.00 11.22 H new ATOM 0 HE1 MET A 81 -2.966 -5.785 -14.969 1.00 24.44 H new ATOM 0 HE2 MET A 81 -1.613 -5.253 -15.995 1.00 24.44 H new ATOM 0 HE3 MET A 81 -2.970 -6.156 -16.710 1.00 24.44 H new ATOM 1241 N ALA A 82 2.351 -6.357 -11.639 1.00 32.40 N ATOM 1242 CA ALA A 82 3.699 -6.599 -11.139 1.00 53.15 C ATOM 1243 C ALA A 82 3.719 -7.766 -10.158 1.00 5.42 C ATOM 1244 O ALA A 82 4.711 -8.489 -10.060 1.00 74.43 O ATOM 1245 CB ALA A 82 4.251 -5.343 -10.481 1.00 55.04 C ATOM 0 H ALA A 82 2.013 -5.405 -11.497 1.00 32.40 H new ATOM 0 HA ALA A 82 4.333 -6.860 -11.986 1.00 53.15 H new ATOM 0 HB1 ALA A 82 5.258 -5.538 -10.112 1.00 55.04 H new ATOM 0 HB2 ALA A 82 4.282 -4.534 -11.211 1.00 55.04 H new ATOM 0 HB3 ALA A 82 3.609 -5.056 -9.648 1.00 55.04 H new ATOM 1251 N ARG A 83 2.620 -7.942 -9.432 1.00 42.11 N ATOM 1252 CA ARG A 83 2.514 -9.020 -8.456 1.00 74.04 C ATOM 1253 C ARG A 83 2.611 -10.382 -9.138 1.00 50.30 C ATOM 1254 O ARG A 83 2.991 -11.374 -8.514 1.00 54.52 O ATOM 1255 CB ARG A 83 1.194 -8.915 -7.690 1.00 53.52 C ATOM 1256 CG ARG A 83 1.197 -9.659 -6.365 1.00 64.32 C ATOM 1257 CD ARG A 83 0.158 -9.098 -5.408 1.00 33.11 C ATOM 1258 NE ARG A 83 -1.112 -9.814 -5.497 1.00 62.34 N ATOM 1259 CZ ARG A 83 -1.304 -11.033 -5.006 1.00 33.24 C ATOM 1260 NH1 ARG A 83 -0.315 -11.668 -4.392 1.00 61.04 N ATOM 1261 NH2 ARG A 83 -2.489 -11.619 -5.126 1.00 64.33 N ATOM 0 H ARG A 83 1.791 -7.352 -9.501 1.00 42.11 H new ATOM 0 HA ARG A 83 3.342 -8.924 -7.754 1.00 74.04 H new ATOM 0 HB2 ARG A 83 0.973 -7.864 -7.506 1.00 53.52 H new ATOM 0 HB3 ARG A 83 0.390 -9.305 -8.314 1.00 53.52 H new ATOM 0 HG2 ARG A 83 0.998 -10.716 -6.540 1.00 64.32 H new ATOM 0 HG3 ARG A 83 2.186 -9.591 -5.911 1.00 64.32 H new ATOM 0 HD2 ARG A 83 0.536 -9.157 -4.387 1.00 33.11 H new ATOM 0 HD3 ARG A 83 -0.005 -8.043 -5.628 1.00 33.11 H new ATOM 0 HE ARG A 83 -1.894 -9.353 -5.962 1.00 62.34 H new ATOM 0 HH11 ARG A 83 0.596 -11.220 -4.296 1.00 61.04 H new ATOM 0 HH12 ARG A 83 -0.466 -12.604 -4.016 1.00 61.04 H new ATOM 0 HH21 ARG A 83 -3.253 -11.133 -5.596 1.00 64.33 H new ATOM 0 HH22 ARG A 83 -2.636 -12.555 -4.749 1.00 64.33 H new ATOM 1275 N CYS A 84 2.265 -10.422 -10.420 1.00 5.30 N ATOM 1276 CA CYS A 84 2.312 -11.662 -11.186 1.00 44.02 C ATOM 1277 C CYS A 84 3.754 -12.080 -11.457 1.00 2.24 C ATOM 1278 O CYS A 84 4.022 -13.226 -11.814 1.00 74.44 O ATOM 1279 CB CYS A 84 1.560 -11.498 -12.507 1.00 72.44 C ATOM 1280 SG CYS A 84 1.099 -13.060 -13.293 1.00 22.50 S ATOM 0 H CYS A 84 1.949 -9.610 -10.951 1.00 5.30 H new ATOM 0 HA CYS A 84 1.831 -12.443 -10.596 1.00 44.02 H new ATOM 0 HB2 CYS A 84 0.658 -10.913 -12.329 1.00 72.44 H new ATOM 0 HB3 CYS A 84 2.180 -10.925 -13.197 1.00 72.44 H new ATOM 0 HG CYS A 84 0.466 -12.817 -14.402 1.00 22.50 H new ATOM 1286 N MET A 85 4.679 -11.141 -11.284 1.00 50.04 N ATOM 1287 CA MET A 85 6.094 -11.412 -11.511 1.00 31.14 C ATOM 1288 C MET A 85 6.676 -12.247 -10.374 1.00 72.34 C ATOM 1289 O MET A 85 7.687 -12.928 -10.545 1.00 44.13 O ATOM 1290 CB MET A 85 6.871 -10.101 -11.645 1.00 61.34 C ATOM 1291 CG MET A 85 7.396 -9.567 -10.323 1.00 24.44 C ATOM 1292 SD MET A 85 7.983 -7.867 -10.444 1.00 3.22 S ATOM 1293 CE MET A 85 9.695 -8.131 -10.901 1.00 31.21 C ATOM 0 H MET A 85 4.474 -10.187 -10.988 1.00 50.04 H new ATOM 0 HA MET A 85 6.186 -11.977 -12.438 1.00 31.14 H new ATOM 0 HB2 MET A 85 7.710 -10.253 -12.324 1.00 61.34 H new ATOM 0 HB3 MET A 85 6.225 -9.350 -12.100 1.00 61.34 H new ATOM 0 HG2 MET A 85 6.606 -9.622 -9.574 1.00 24.44 H new ATOM 0 HG3 MET A 85 8.209 -10.204 -9.976 1.00 24.44 H new ATOM 0 HE1 MET A 85 10.345 -7.709 -10.135 1.00 31.21 H new ATOM 0 HE2 MET A 85 9.887 -9.200 -10.992 1.00 31.21 H new ATOM 0 HE3 MET A 85 9.896 -7.644 -11.855 1.00 31.21 H new ATOM 1303 N LYS A 86 6.031 -12.191 -9.214 1.00 52.32 N ATOM 1304 CA LYS A 86 6.483 -12.942 -8.049 1.00 70.24 C ATOM 1305 C LYS A 86 6.213 -14.433 -8.226 1.00 20.15 C ATOM 1306 O LYS A 86 6.660 -15.254 -7.424 1.00 4.51 O ATOM 1307 CB LYS A 86 5.786 -12.433 -6.786 1.00 11.31 C ATOM 1308 CG LYS A 86 6.745 -11.899 -5.736 1.00 15.33 C ATOM 1309 CD LYS A 86 6.106 -10.796 -4.907 1.00 63.41 C ATOM 1310 CE LYS A 86 7.152 -9.844 -4.347 1.00 54.11 C ATOM 1311 NZ LYS A 86 8.083 -10.531 -3.410 1.00 60.12 N ATOM 0 H LYS A 86 5.192 -11.632 -9.055 1.00 52.32 H new ATOM 0 HA LYS A 86 7.558 -12.794 -7.947 1.00 70.24 H new ATOM 0 HB2 LYS A 86 5.085 -11.645 -7.060 1.00 11.31 H new ATOM 0 HB3 LYS A 86 5.200 -13.244 -6.352 1.00 11.31 H new ATOM 0 HG2 LYS A 86 7.059 -12.712 -5.081 1.00 15.33 H new ATOM 0 HG3 LYS A 86 7.642 -11.517 -6.222 1.00 15.33 H new ATOM 0 HD2 LYS A 86 5.399 -10.240 -5.522 1.00 63.41 H new ATOM 0 HD3 LYS A 86 5.538 -11.237 -4.088 1.00 63.41 H new ATOM 0 HE2 LYS A 86 7.720 -9.406 -5.167 1.00 54.11 H new ATOM 0 HE3 LYS A 86 6.656 -9.023 -3.829 1.00 54.11 H new ATOM 0 HZ1 LYS A 86 8.737 -9.835 -2.999 1.00 60.12 H new ATOM 0 HZ2 LYS A 86 7.538 -10.985 -2.650 1.00 60.12 H new ATOM 0 HZ3 LYS A 86 8.625 -11.253 -3.926 1.00 60.12 H new ATOM 1325 N ASP A 87 5.481 -14.777 -9.279 1.00 54.42 N ATOM 1326 CA ASP A 87 5.153 -16.169 -9.562 1.00 24.42 C ATOM 1327 C ASP A 87 6.357 -16.902 -10.147 1.00 33.33 C ATOM 1328 O ASP A 87 6.557 -16.917 -11.361 1.00 53.14 O ATOM 1329 CB ASP A 87 3.971 -16.252 -10.528 1.00 50.34 C ATOM 1330 CG ASP A 87 3.295 -17.608 -10.502 1.00 31.43 C ATOM 1331 OD1 ASP A 87 3.826 -18.549 -11.129 1.00 50.22 O ATOM 1332 OD2 ASP A 87 2.235 -17.730 -9.853 1.00 21.02 O ATOM 0 H ASP A 87 5.103 -14.110 -9.952 1.00 54.42 H new ATOM 0 HA ASP A 87 4.878 -16.650 -8.623 1.00 24.42 H new ATOM 0 HB2 ASP A 87 3.243 -15.482 -10.273 1.00 50.34 H new ATOM 0 HB3 ASP A 87 4.317 -16.041 -11.540 1.00 50.34 H new ATOM 1337 N ASP A 88 7.155 -17.508 -9.275 1.00 30.12 N ATOM 1338 CA ASP A 88 8.339 -18.243 -9.705 1.00 30.04 C ATOM 1339 C ASP A 88 8.032 -19.730 -9.853 1.00 14.14 C ATOM 1340 O ASP A 88 8.532 -20.556 -9.089 1.00 75.24 O ATOM 1341 CB ASP A 88 9.480 -18.042 -8.706 1.00 62.43 C ATOM 1342 CG ASP A 88 10.809 -18.543 -9.238 1.00 11.03 C ATOM 1343 OD1 ASP A 88 11.147 -18.216 -10.395 1.00 12.11 O ATOM 1344 OD2 ASP A 88 11.511 -19.261 -8.496 1.00 64.12 O ATOM 0 H ASP A 88 7.004 -17.505 -8.266 1.00 30.12 H new ATOM 0 HA ASP A 88 8.644 -17.855 -10.677 1.00 30.04 H new ATOM 0 HB2 ASP A 88 9.565 -16.983 -8.464 1.00 62.43 H new ATOM 0 HB3 ASP A 88 9.243 -18.563 -7.778 1.00 62.43 H new ATOM 1349 N SER A 89 7.205 -20.063 -10.839 1.00 42.10 N ATOM 1350 CA SER A 89 6.827 -21.450 -11.084 1.00 41.31 C ATOM 1351 C SER A 89 6.421 -21.653 -12.541 1.00 13.34 C ATOM 1352 O SER A 89 6.491 -20.707 -13.324 1.00 11.12 O ATOM 1353 CB SER A 89 5.678 -21.858 -10.160 1.00 52.05 C ATOM 1354 OG SER A 89 4.943 -22.939 -10.708 1.00 53.42 O ATOM 0 H SER A 89 6.784 -19.391 -11.481 1.00 42.10 H new ATOM 0 HA SER A 89 7.692 -22.079 -10.875 1.00 41.31 H new ATOM 0 HB2 SER A 89 6.074 -22.141 -9.185 1.00 52.05 H new ATOM 0 HB3 SER A 89 5.016 -21.007 -10.001 1.00 52.05 H new ATOM 0 HG SER A 89 4.215 -23.182 -10.098 1.00 53.42 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -8.512 1.894 -3.798 1.00 74.14 CA