USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 0 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 39 ASN : amide:sc= -3.68! C(o=-7.2!,f=-11!) USER MOD Set 1.2: A 43 THR OG1 : rot -57:sc= -3.48! USER MOD Set 2.1: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 17 ASN : amide:sc= -0.643 K(o=-0.64,f=-0.028) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.98) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 MET CE :methyl -147:sc= -4.35! (180deg=-6.35!) USER MOD Single : A 9 HIS : no HD1:sc= -2.54! C(o=-2.5!,f=-5.5!) USER MOD Single : A 12 GLN : amide:sc= -5.31! C(o=-5.3!,f=-6!) USER MOD Single : A 15 MET CE :methyl -170:sc= 0 (180deg=-0.05) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= -0.324 (180deg=-1.42!) USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= -0.45 (180deg=-2.15!) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 31 SER OG : rot 179:sc= -3.44! USER MOD Single : A 36 MET CE :methyl -162:sc= -0.696 (180deg=-2.11!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 149:sc= -0.127 (180deg=-1.19) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -48:sc= 1.17 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.058 16.840 -2.909 1.00 0.00 N ATOM 2 CA LYS A 1 -8.023 16.004 -2.236 1.00 0.00 C ATOM 3 C LYS A 1 -8.696 14.812 -1.552 1.00 0.00 C ATOM 4 O LYS A 1 -9.445 14.966 -0.608 1.00 0.00 O ATOM 5 CB LYS A 1 -7.291 16.846 -1.188 1.00 0.00 C ATOM 6 CG LYS A 1 -6.142 16.030 -0.592 1.00 0.00 C ATOM 7 CD LYS A 1 -5.462 16.840 0.513 1.00 0.00 C ATOM 8 CE LYS A 1 -4.222 16.091 1.004 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.537 16.899 2.054 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.601 17.650 -3.374 1.00 0.00 H new ATOM 0 H2 LYS A 1 -9.557 16.269 -3.620 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.739 17.185 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.309 15.643 -2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.906 17.758 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.982 17.149 -0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.520 15.090 -0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.420 15.777 -1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.181 17.824 0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.154 17.001 1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.507 15.119 1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.543 15.905 0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.694 16.390 2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.253 17.817 1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.186 17.054 2.851 1.00 0.00 H new ATOM 10 N ASN A 2 -8.433 13.622 -2.021 1.00 0.00 N ATOM 11 CA ASN A 2 -9.057 12.421 -1.398 1.00 0.00 C ATOM 12 C ASN A 2 -10.579 12.516 -1.514 1.00 0.00 C ATOM 13 O ASN A 2 -11.304 12.167 -0.603 1.00 0.00 O ATOM 14 CB ASN A 2 -8.662 12.351 0.079 1.00 0.00 C ATOM 15 CG ASN A 2 -7.136 12.330 0.199 1.00 0.00 C ATOM 16 OD1 ASN A 2 -6.570 13.028 1.017 1.00 0.00 O ATOM 17 ND2 ASN A 2 -6.443 11.554 -0.587 1.00 0.00 N ATOM 0 H ASN A 2 -7.813 13.430 -2.808 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.710 11.524 -1.912 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.068 13.208 0.616 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.086 11.458 0.538 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.426 11.533 -0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.918 10.968 -1.274 1.00 0.00 H new ATOM 18 N GLU A 3 -11.071 12.986 -2.628 1.00 0.00 N ATOM 19 CA GLU A 3 -12.547 13.102 -2.799 1.00 0.00 C ATOM 20 C GLU A 3 -13.196 11.741 -2.539 1.00 0.00 C ATOM 21 O GLU A 3 -14.329 11.656 -2.109 1.00 0.00 O ATOM 22 CB GLU A 3 -12.861 13.550 -4.227 1.00 0.00 C ATOM 23 CG GLU A 3 -12.272 14.942 -4.466 1.00 0.00 C ATOM 24 CD GLU A 3 -12.632 15.413 -5.877 1.00 0.00 C ATOM 25 OE1 GLU A 3 -13.142 14.606 -6.638 1.00 0.00 O ATOM 26 OE2 GLU A 3 -12.392 16.572 -6.173 1.00 0.00 O ATOM 0 H GLU A 3 -10.515 13.294 -3.426 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.939 13.835 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.445 12.840 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.939 13.568 -4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.659 15.644 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.189 14.916 -4.345 1.00 0.00 H new ATOM 27 N ASP A 4 -12.487 10.678 -2.798 1.00 0.00 N ATOM 28 CA ASP A 4 -13.064 9.324 -2.568 1.00 0.00 C ATOM 29 C ASP A 4 -13.464 9.180 -1.100 1.00 0.00 C ATOM 30 O ASP A 4 -14.442 8.538 -0.772 1.00 0.00 O ATOM 31 CB ASP A 4 -12.023 8.261 -2.921 1.00 0.00 C ATOM 32 CG ASP A 4 -11.951 8.104 -4.439 1.00 0.00 C ATOM 33 OD1 ASP A 4 -12.800 8.666 -5.113 1.00 0.00 O ATOM 34 OD2 ASP A 4 -11.049 7.428 -4.903 1.00 0.00 O ATOM 0 H ASP A 4 -11.533 10.688 -3.159 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.945 9.193 -3.196 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.048 8.547 -2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -12.287 7.310 -2.458 1.00 0.00 H new ATOM 35 N GLN A 5 -12.717 9.774 -0.212 1.00 0.00 N ATOM 36 CA GLN A 5 -13.057 9.672 1.234 1.00 0.00 C ATOM 37 C GLN A 5 -14.500 10.131 1.448 1.00 0.00 C ATOM 38 O GLN A 5 -15.200 9.634 2.309 1.00 0.00 O ATOM 39 CB GLN A 5 -12.112 10.561 2.045 1.00 0.00 C ATOM 40 CG GLN A 5 -12.326 10.301 3.538 1.00 0.00 C ATOM 41 CD GLN A 5 -11.452 11.256 4.352 1.00 0.00 C ATOM 42 OE1 GLN A 5 -11.637 12.455 4.307 1.00 0.00 O ATOM 43 NE2 GLN A 5 -10.499 10.770 5.102 1.00 0.00 N ATOM 0 H GLN A 5 -11.886 10.326 -0.425 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.951 8.638 1.562 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.077 10.354 1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.297 11.611 1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -13.376 10.442 3.796 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.075 9.268 3.778 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.343 9.763 5.140 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.911 11.398 5.650 1.00 0.00 H new ATOM 44 N GLU A 6 -14.952 11.077 0.671 1.00 0.00 N ATOM 45 CA GLU A 6 -16.350 11.566 0.828 1.00 0.00 C ATOM 46 C GLU A 6 -17.322 10.458 0.417 1.00 0.00 C ATOM 47 O GLU A 6 -18.354 10.265 1.030 1.00 0.00 O ATOM 48 CB GLU A 6 -16.565 12.792 -0.062 1.00 0.00 C ATOM 49 CG GLU A 6 -15.641 13.923 0.398 1.00 0.00 C ATOM 50 CD GLU A 6 -15.884 15.164 -0.465 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.597 15.048 -1.448 1.00 0.00 O ATOM 52 OE2 GLU A 6 -15.353 16.209 -0.127 1.00 0.00 O ATOM 0 H GLU A 6 -14.413 11.532 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.527 11.839 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.360 12.540 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.605 13.114 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.826 14.154 1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.600 13.611 0.320 1.00 0.00 H new ATOM 53 N MET A 7 -17.000 9.727 -0.615 1.00 0.00 N ATOM 54 CA MET A 7 -17.903 8.629 -1.066 1.00 0.00 C ATOM 55 C MET A 7 -18.064 7.609 0.061 1.00 0.00 C ATOM 56 O MET A 7 -19.080 6.953 0.179 1.00 0.00 O ATOM 57 CB MET A 7 -17.295 7.940 -2.290 1.00 0.00 C ATOM 58 CG MET A 7 -17.362 8.883 -3.492 1.00 0.00 C ATOM 59 SD MET A 7 -16.995 7.959 -5.004 1.00 0.00 S ATOM 60 CE MET A 7 -15.366 7.344 -4.506 1.00 0.00 C ATOM 0 H MET A 7 -16.150 9.842 -1.166 1.00 0.00 H new ATOM 0 HA MET A 7 -18.877 9.043 -1.327 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.260 7.664 -2.088 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.835 7.018 -2.507 1.00 0.00 H new ATOM 0 HG2 MET A 7 -18.352 9.334 -3.560 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.649 9.698 -3.369 1.00 0.00 H new ATOM 0 HE1 MET A 7 -14.722 7.270 -5.382 1.00 0.00 H new ATOM 0 HE2 MET A 7 -14.922 8.032 -3.786 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.473 6.360 -4.049 1.00 0.00 H new ATOM 61 N CYS A 8 -17.067 7.467 0.890 1.00 0.00 N ATOM 62 CA CYS A 8 -17.162 6.486 2.006 1.00 0.00 C ATOM 63 C CYS A 8 -18.240 6.940 2.992 1.00 0.00 C ATOM 64 O CYS A 8 -19.067 6.161 3.423 1.00 0.00 O ATOM 65 CB CYS A 8 -15.813 6.398 2.723 1.00 0.00 C ATOM 66 SG CYS A 8 -15.911 5.172 4.053 1.00 0.00 S ATOM 0 H CYS A 8 -16.191 7.988 0.843 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.425 5.505 1.609 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.031 6.121 2.016 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.543 7.372 3.131 1.00 0.00 H new ATOM 67 N HIS A 9 -18.241 8.194 3.349 1.00 0.00 N ATOM 68 CA HIS A 9 -19.269 8.696 4.302 1.00 0.00 C ATOM 69 C HIS A 9 -20.640 8.139 3.901 1.00 0.00 C ATOM 70 O HIS A 9 -21.376 7.625 4.720 1.00 0.00 O ATOM 71 CB HIS A 9 -19.293 10.230 4.260 1.00 0.00 C ATOM 72 CG HIS A 9 -20.585 10.742 4.838 1.00 0.00 C ATOM 73 ND1 HIS A 9 -21.803 10.556 4.202 1.00 0.00 N ATOM 74 CD2 HIS A 9 -20.867 11.435 5.990 1.00 0.00 C ATOM 75 CE1 HIS A 9 -22.752 11.126 4.966 1.00 0.00 C ATOM 76 NE2 HIS A 9 -22.235 11.677 6.068 1.00 0.00 N ATOM 0 H HIS A 9 -17.574 8.893 3.022 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.030 8.370 5.314 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.450 10.630 4.823 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.183 10.575 3.232 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.138 11.745 6.724 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.803 11.137 4.719 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -22.736 12.169 6.808 1.00 0.00 H new ATOM 77 N GLU A 10 -20.987 8.241 2.648 1.00 0.00 N ATOM 78 CA GLU A 10 -22.306 7.723 2.194 1.00 0.00 C ATOM 79 C GLU A 10 -22.391 6.217 2.454 1.00 0.00 C ATOM 80 O GLU A 10 -23.452 5.685 2.713 1.00 0.00 O ATOM 81 CB GLU A 10 -22.473 7.993 0.696 1.00 0.00 C ATOM 82 CG GLU A 10 -22.619 9.498 0.465 1.00 0.00 C ATOM 83 CD GLU A 10 -22.944 9.760 -1.007 1.00 0.00 C ATOM 84 OE1 GLU A 10 -22.931 8.812 -1.774 1.00 0.00 O ATOM 85 OE2 GLU A 10 -23.200 10.905 -1.342 1.00 0.00 O ATOM 0 H GLU A 10 -20.412 8.662 1.918 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.099 8.227 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.611 7.612 0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.350 7.469 0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.409 9.899 1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.697 10.010 0.742 1.00 0.00 H new ATOM 86 N PHE A 11 -21.287 5.522 2.392 1.00 0.00 N ATOM 87 CA PHE A 11 -21.324 4.053 2.641 1.00 0.00 C ATOM 88 C PHE A 11 -21.392 3.801 4.150 1.00 0.00 C ATOM 89 O PHE A 11 -21.623 2.695 4.595 1.00 0.00 O ATOM 90 CB PHE A 11 -20.063 3.397 2.069 1.00 0.00 C ATOM 91 CG PHE A 11 -20.443 2.236 1.177 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.614 1.511 1.432 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.623 1.881 0.094 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.966 0.436 0.608 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.977 0.805 -0.726 1.00 0.00 C ATOM 96 CZ PHE A 11 -21.146 0.083 -0.470 1.00 0.00 C ATOM 0 H PHE A 11 -20.366 5.906 2.181 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.201 3.624 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.488 4.129 1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.424 3.049 2.881 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -22.246 1.782 2.265 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.720 2.438 -0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.870 -0.121 0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.346 0.531 -1.559 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.417 -0.748 -1.104 1.00 0.00 H new ATOM 97 N GLN A 12 -21.192 4.822 4.940 1.00 0.00 N ATOM 98 CA GLN A 12 -21.244 4.643 6.419 1.00 0.00 C ATOM 99 C GLN A 12 -22.691 4.399 6.852 1.00 0.00 C ATOM 100 O GLN A 12 -22.952 3.690 7.802 1.00 0.00 O ATOM 101 CB GLN A 12 -20.712 5.903 7.103 1.00 0.00 C ATOM 102 CG GLN A 12 -19.218 6.045 6.811 1.00 0.00 C ATOM 103 CD GLN A 12 -18.707 7.368 7.386 1.00 0.00 C ATOM 104 OE1 GLN A 12 -19.485 8.232 7.740 1.00 0.00 O ATOM 105 NE2 GLN A 12 -17.422 7.564 7.495 1.00 0.00 N ATOM 0 H GLN A 12 -20.995 5.772 4.625 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.631 3.788 6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -21.249 6.780 6.743 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.880 5.845 8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.670 5.211 7.249 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.042 6.012 5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.769 6.839 7.198 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.071 8.442 7.877 1.00 0.00 H new ATOM 106 N ALA A 13 -23.634 4.977 6.159 1.00 0.00 N ATOM 107 CA ALA A 13 -25.062 4.771 6.534 1.00 0.00 C ATOM 108 C ALA A 13 -25.461 3.329 6.216 1.00 0.00 C ATOM 109 O ALA A 13 -26.378 2.785 6.798 1.00 0.00 O ATOM 110 CB ALA A 13 -25.943 5.734 5.736 1.00 0.00 C ATOM 0 H ALA A 13 -23.478 5.581 5.352 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.194 4.961 7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.987 5.584 6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.654 6.761 5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.817 5.544 4.670 1.00 0.00 H new ATOM 111 N PHE A 14 -24.775 2.705 5.297 1.00 0.00 N ATOM 112 CA PHE A 14 -25.110 1.298 4.943 1.00 0.00 C ATOM 113 C PHE A 14 -24.381 0.347 5.894 1.00 0.00 C ATOM 114 O PHE A 14 -24.412 -0.856 5.727 1.00 0.00 O ATOM 115 CB PHE A 14 -24.670 1.013 3.505 1.00 0.00 C ATOM 116 CG PHE A 14 -25.441 1.898 2.554 1.00 0.00 C ATOM 117 CD1 PHE A 14 -24.950 3.168 2.226 1.00 0.00 C ATOM 118 CD2 PHE A 14 -26.644 1.447 1.997 1.00 0.00 C ATOM 119 CE1 PHE A 14 -25.662 3.986 1.342 1.00 0.00 C ATOM 120 CE2 PHE A 14 -27.355 2.266 1.112 1.00 0.00 C ATOM 121 CZ PHE A 14 -26.864 3.536 0.784 1.00 0.00 C ATOM 0 H PHE A 14 -23.997 3.110 4.776 1.00 0.00 H new ATOM 0 HA PHE A 14 -26.186 1.149 5.030 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.600 1.193 3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.842 -0.036 3.262 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -24.022 3.516 2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -27.023 0.468 2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -25.284 4.966 1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -28.283 1.918 0.682 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.413 4.168 0.101 1.00 0.00 H new ATOM 122 N MET A 15 -23.725 0.876 6.891 1.00 0.00 N ATOM 123 CA MET A 15 -22.998 -0.002 7.850 1.00 0.00 C ATOM 124 C MET A 15 -23.999 -0.581 8.852 1.00 0.00 C ATOM 125 O MET A 15 -24.796 0.132 9.429 1.00 0.00 O ATOM 126 CB MET A 15 -21.943 0.819 8.593 1.00 0.00 C ATOM 127 CG MET A 15 -20.545 0.339 8.194 1.00 0.00 C ATOM 128 SD MET A 15 -19.316 1.084 9.294 1.00 0.00 S ATOM 129 CE MET A 15 -19.034 -0.368 10.337 1.00 0.00 C ATOM 0 H MET A 15 -23.661 1.876 7.082 1.00 0.00 H new ATOM 0 HA MET A 15 -22.507 -0.813 7.311 1.00 0.00 H new ATOM 0 HB2 MET A 15 -22.057 1.877 8.356 1.00 0.00 H new ATOM 0 HB3 MET A 15 -22.080 0.717 9.670 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.491 -0.748 8.254 1.00 0.00 H new ATOM 0 HG3 MET A 15 -20.336 0.612 7.160 1.00 0.00 H new ATOM 0 HE1 MET A 15 -18.435 -0.084 11.202 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.991 -0.766 10.673 1.00 0.00 H new ATOM 0 HE3 MET A 15 -18.505 -1.130 9.764 1.00 0.00 H new ATOM 130 N LYS A 16 -23.971 -1.868 9.059 1.00 0.00 N ATOM 131 CA LYS A 16 -24.930 -2.487 10.017 1.00 0.00 C ATOM 132 C LYS A 16 -24.196 -3.486 10.914 1.00 0.00 C ATOM 133 O LYS A 16 -23.249 -4.126 10.505 1.00 0.00 O ATOM 134 CB LYS A 16 -26.024 -3.215 9.232 1.00 0.00 C ATOM 135 CG LYS A 16 -27.216 -3.491 10.150 1.00 0.00 C ATOM 136 CD LYS A 16 -28.268 -4.302 9.390 1.00 0.00 C ATOM 137 CE LYS A 16 -29.432 -4.631 10.326 1.00 0.00 C ATOM 138 NZ LYS A 16 -29.582 -6.110 10.431 1.00 0.00 N ATOM 0 H LYS A 16 -23.327 -2.517 8.607 1.00 0.00 H new ATOM 0 HA LYS A 16 -25.375 -1.710 10.638 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -26.339 -2.610 8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -25.636 -4.151 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.889 -4.038 11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -27.646 -2.552 10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -28.627 -3.737 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.826 -5.221 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -29.252 -4.202 11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -30.353 -4.187 9.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -30.373 -6.334 11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -29.772 -6.507 9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -28.705 -6.522 10.810 1.00 0.00 H new ATOM 139 N ASN A 17 -24.631 -3.626 12.138 1.00 0.00 N ATOM 140 CA ASN A 17 -23.967 -4.586 13.064 1.00 0.00 C ATOM 141 C ASN A 17 -22.450 -4.402 13.000 1.00 0.00 C ATOM 142 O ASN A 17 -21.694 -5.329 13.212 1.00 0.00 O ATOM 143 CB ASN A 17 -24.324 -6.015 12.654 1.00 0.00 C ATOM 144 CG ASN A 17 -25.842 -6.194 12.709 1.00 0.00 C ATOM 145 OD1 ASN A 17 -26.421 -6.844 11.862 1.00 0.00 O ATOM 146 ND2 ASN A 17 -26.515 -5.637 13.678 1.00 0.00 N ATOM 0 H ASN A 17 -25.419 -3.115 12.536 1.00 0.00 H new ATOM 0 HA ASN A 17 -24.309 -4.400 14.082 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -23.959 -6.218 11.647 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -23.838 -6.728 13.320 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -27.528 -5.747 13.725 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -26.028 -5.091 14.389 1.00 0.00 H new ATOM 147 N GLY A 18 -21.995 -3.215 12.706 1.00 0.00 N ATOM 148 CA GLY A 18 -20.525 -2.982 12.629 1.00 0.00 C ATOM 149 C GLY A 18 -19.995 -3.572 11.323 1.00 0.00 C ATOM 150 O GLY A 18 -18.825 -3.873 11.193 1.00 0.00 O ATOM 0 H GLY A 18 -22.576 -2.398 12.516 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -20.310 -1.914 12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.026 -3.444 13.481 1.00 0.00 H new ATOM 151 N LYS A 19 -20.852 -3.741 10.355 1.00 0.00 N ATOM 152 CA LYS A 19 -20.411 -4.314 9.054 1.00 0.00 C ATOM 153 C LYS A 19 -20.784 -3.349 7.926 1.00 0.00 C ATOM 154 O LYS A 19 -21.732 -2.598 8.032 1.00 0.00 O ATOM 155 CB LYS A 19 -21.112 -5.654 8.833 1.00 0.00 C ATOM 156 CG LYS A 19 -20.385 -6.435 7.737 1.00 0.00 C ATOM 157 CD LYS A 19 -21.396 -6.899 6.687 1.00 0.00 C ATOM 158 CE LYS A 19 -20.944 -8.239 6.103 1.00 0.00 C ATOM 159 NZ LYS A 19 -22.141 -9.053 5.746 1.00 0.00 N ATOM 0 H LYS A 19 -21.843 -3.506 10.410 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.331 -4.464 9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.121 -6.229 9.759 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.152 -5.490 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.624 -5.808 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.871 -7.294 8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.384 -7.001 7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.482 -6.155 5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.327 -8.074 5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.329 -8.774 6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -21.835 -9.964 5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.713 -9.221 6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -22.711 -8.542 5.042 1.00 0.00 H new ATOM 160 N LEU A 20 -20.049 -3.360 6.847 1.00 0.00 N ATOM 161 CA LEU A 20 -20.368 -2.437 5.719 1.00 0.00 C ATOM 162 C LEU A 20 -21.105 -3.207 4.620 1.00 0.00 C ATOM 163 O LEU A 20 -20.507 -3.923 3.842 1.00 0.00 O ATOM 164 CB LEU A 20 -19.071 -1.853 5.150 1.00 0.00 C ATOM 165 CG LEU A 20 -19.381 -1.047 3.883 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.936 0.324 4.270 1.00 0.00 C ATOM 167 CD2 LEU A 20 -18.099 -0.858 3.070 1.00 0.00 C ATOM 0 H LEU A 20 -19.243 -3.967 6.697 1.00 0.00 H new ATOM 0 HA LEU A 20 -21.001 -1.628 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.592 -1.214 5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.369 -2.655 4.920 1.00 0.00 H new ATOM 0 HG LEU A 20 -20.118 -1.585 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.156 0.895 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.850 0.196 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.199 0.859 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.320 -0.285 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.364 -0.322 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.698 -1.832 2.791 1.00 0.00 H new ATOM 168 N PHE A 21 -22.399 -3.058 4.546 1.00 0.00 N ATOM 169 CA PHE A 21 -23.171 -3.775 3.491 1.00 0.00 C ATOM 170 C PHE A 21 -23.038 -3.014 2.172 1.00 0.00 C ATOM 171 O PHE A 21 -23.594 -1.947 2.000 1.00 0.00 O ATOM 172 CB PHE A 21 -24.642 -3.849 3.900 1.00 0.00 C ATOM 173 CG PHE A 21 -24.808 -4.891 4.980 1.00 0.00 C ATOM 174 CD1 PHE A 21 -24.369 -4.625 6.284 1.00 0.00 C ATOM 175 CD2 PHE A 21 -25.400 -6.122 4.678 1.00 0.00 C ATOM 176 CE1 PHE A 21 -24.524 -5.593 7.285 1.00 0.00 C ATOM 177 CE2 PHE A 21 -25.555 -7.089 5.679 1.00 0.00 C ATOM 178 CZ PHE A 21 -25.117 -6.824 6.982 1.00 0.00 C ATOM 0 H PHE A 21 -22.955 -2.472 5.169 1.00 0.00 H new ATOM 0 HA PHE A 21 -22.782 -4.786 3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.980 -2.878 4.261 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -25.259 -4.101 3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.912 -3.675 6.517 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -25.738 -6.327 3.673 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -24.186 -5.389 8.290 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -26.012 -8.039 5.446 1.00 0.00 H new ATOM 0 HZ PHE A 21 -25.237 -7.570 7.754 1.00 0.00 H new ATOM 179 N CYS A 22 -22.293 -3.547 1.243 1.00 0.00 N ATOM 180 CA CYS A 22 -22.109 -2.847 -0.059 1.00 0.00 C ATOM 181 C CYS A 22 -22.932 -3.529 -1.154 1.00 0.00 C ATOM 182 O CYS A 22 -22.426 -4.328 -1.916 1.00 0.00 O ATOM 183 CB CYS A 22 -20.629 -2.882 -0.439 1.00 0.00 C ATOM 184 SG CYS A 22 -19.662 -2.125 0.888 1.00 0.00 S ATOM 0 H CYS A 22 -21.804 -4.438 1.330 1.00 0.00 H new ATOM 0 HA CYS A 22 -22.446 -1.815 0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.306 -3.910 -0.600 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.468 -2.347 -1.375 1.00 0.00 H new ATOM 185 N PRO A 23 -24.225 -3.189 -1.239 1.00 0.00 N ATOM 186 CA PRO A 23 -25.126 -3.749 -2.252 1.00 0.00 C ATOM 187 C PRO A 23 -24.804 -3.200 -3.646 1.00 0.00 C ATOM 188 O PRO A 23 -23.896 -2.411 -3.815 1.00 0.00 O ATOM 189 CB PRO A 23 -26.506 -3.265 -1.810 1.00 0.00 C ATOM 190 CG PRO A 23 -26.237 -2.027 -1.021 1.00 0.00 C ATOM 191 CD PRO A 23 -24.907 -2.232 -0.351 1.00 0.00 C ATOM 0 HA PRO A 23 -25.045 -4.834 -2.324 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.146 -3.057 -2.667 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -27.015 -4.017 -1.207 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -26.215 -1.151 -1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -27.022 -1.858 -0.283 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -24.352 -1.298 -0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -25.021 -2.630 0.657 1.00 0.00 H new ATOM 192 N GLN A 24 -25.541 -3.605 -4.643 1.00 0.00 N ATOM 193 CA GLN A 24 -25.271 -3.094 -6.017 1.00 0.00 C ATOM 194 C GLN A 24 -25.653 -1.614 -6.089 1.00 0.00 C ATOM 195 O GLN A 24 -26.717 -1.217 -5.656 1.00 0.00 O ATOM 196 CB GLN A 24 -26.099 -3.886 -7.031 1.00 0.00 C ATOM 197 CG GLN A 24 -25.532 -5.301 -7.161 1.00 0.00 C ATOM 198 CD GLN A 24 -26.288 -6.051 -8.258 1.00 0.00 C ATOM 199 OE1 GLN A 24 -27.334 -5.617 -8.696 1.00 0.00 O ATOM 200 NE2 GLN A 24 -25.798 -7.168 -8.725 1.00 0.00 N ATOM 0 H GLN A 24 -26.315 -4.265 -4.567 1.00 0.00 H new ATOM 0 HA GLN A 24 -24.212 -3.210 -6.248 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -27.140 -3.928 -6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -26.082 -3.386 -7.999 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -24.469 -5.259 -7.400 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -25.625 -5.831 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -24.919 -7.533 -8.357 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -26.294 -7.676 -9.458 1.00 0.00 H new ATOM 201 N ASP A 25 -24.795 -0.795 -6.629 1.00 0.00 N ATOM 202 CA ASP A 25 -25.110 0.659 -6.724 1.00 0.00 C ATOM 203 C ASP A 25 -26.207 0.881 -7.768 1.00 0.00 C ATOM 204 O ASP A 25 -26.232 0.242 -8.801 1.00 0.00 O ATOM 205 CB ASP A 25 -23.852 1.427 -7.134 1.00 0.00 C ATOM 206 CG ASP A 25 -22.810 1.329 -6.019 1.00 0.00 C ATOM 207 OD1 ASP A 25 -23.170 0.900 -4.934 1.00 0.00 O ATOM 208 OD2 ASP A 25 -21.669 1.685 -6.266 1.00 0.00 O ATOM 0 H ASP A 25 -23.889 -1.069 -7.009 1.00 0.00 H new ATOM 0 HA ASP A 25 -25.456 1.018 -5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -23.449 1.018 -8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -24.097 2.471 -7.327 1.00 0.00 H new ATOM 209 N LYS A 26 -27.113 1.785 -7.508 1.00 0.00 N ATOM 210 CA LYS A 26 -28.206 2.047 -8.487 1.00 0.00 C ATOM 211 C LYS A 26 -27.612 2.640 -9.766 1.00 0.00 C ATOM 212 O LYS A 26 -28.116 2.430 -10.851 1.00 0.00 O ATOM 213 CB LYS A 26 -29.205 3.038 -7.884 1.00 0.00 C ATOM 214 CG LYS A 26 -29.837 2.429 -6.630 1.00 0.00 C ATOM 215 CD LYS A 26 -30.883 3.393 -6.068 1.00 0.00 C ATOM 216 CE LYS A 26 -31.428 2.843 -4.749 1.00 0.00 C ATOM 217 NZ LYS A 26 -30.303 2.312 -3.929 1.00 0.00 N ATOM 0 H LYS A 26 -27.143 2.352 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.716 1.112 -8.720 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -28.701 3.971 -7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.979 3.280 -8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -30.301 1.472 -6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -29.069 2.232 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -30.439 4.376 -5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -31.695 3.523 -6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -31.950 3.629 -4.203 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -32.154 2.054 -4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -30.602 2.238 -2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -30.032 1.371 -4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -29.489 2.955 -3.999 1.00 0.00 H new ATOM 218 N LYS A 27 -26.542 3.376 -9.646 1.00 0.00 N ATOM 219 CA LYS A 27 -25.914 3.981 -10.855 1.00 0.00 C ATOM 220 C LYS A 27 -24.410 3.698 -10.840 1.00 0.00 C ATOM 221 O LYS A 27 -23.828 3.436 -9.805 1.00 0.00 O ATOM 222 CB LYS A 27 -26.151 5.492 -10.853 1.00 0.00 C ATOM 223 CG LYS A 27 -25.450 6.117 -9.647 1.00 0.00 C ATOM 224 CD LYS A 27 -26.497 6.585 -8.635 1.00 0.00 C ATOM 225 CE LYS A 27 -26.196 8.027 -8.220 1.00 0.00 C ATOM 226 NZ LYS A 27 -24.727 8.191 -8.029 1.00 0.00 N ATOM 0 H LYS A 27 -26.075 3.585 -8.764 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.357 3.548 -11.752 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -25.772 5.931 -11.775 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -27.220 5.703 -10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.781 5.391 -9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -24.835 6.959 -9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -27.494 6.521 -9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.489 5.934 -7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -26.554 8.719 -8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -26.723 8.269 -7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -24.550 8.869 -7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -24.304 7.273 -7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -24.300 8.546 -8.908 1.00 0.00 H new ATOM 227 N PRO A 28 -23.773 3.752 -12.019 1.00 0.00 N ATOM 228 CA PRO A 28 -22.333 3.499 -12.155 1.00 0.00 C ATOM 229 C PRO A 28 -21.491 4.636 -11.566 1.00 0.00 C ATOM 230 O PRO A 28 -21.684 5.793 -11.881 1.00 0.00 O ATOM 231 CB PRO A 28 -22.125 3.429 -13.667 1.00 0.00 C ATOM 232 CG PRO A 28 -23.242 4.236 -14.241 1.00 0.00 C ATOM 233 CD PRO A 28 -24.411 4.062 -13.310 1.00 0.00 C ATOM 0 HA PRO A 28 -22.027 2.598 -11.623 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.155 3.836 -13.953 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.156 2.400 -14.024 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -22.962 5.286 -14.321 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -23.491 3.895 -15.246 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.017 4.966 -13.252 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.069 3.257 -13.637 1.00 0.00 H new ATOM 234 N ILE A 29 -20.551 4.311 -10.719 1.00 0.00 N ATOM 235 CA ILE A 29 -19.691 5.368 -10.115 1.00 0.00 C ATOM 236 C ILE A 29 -18.258 5.202 -10.637 1.00 0.00 C ATOM 237 O ILE A 29 -17.781 4.102 -10.822 1.00 0.00 O ATOM 238 CB ILE A 29 -19.721 5.234 -8.585 1.00 0.00 C ATOM 239 CG1 ILE A 29 -18.510 5.953 -7.970 1.00 0.00 C ATOM 240 CG2 ILE A 29 -19.709 3.751 -8.196 1.00 0.00 C ATOM 241 CD1 ILE A 29 -17.284 5.034 -7.985 1.00 0.00 C ATOM 0 H ILE A 29 -20.342 3.359 -10.420 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.060 6.356 -10.389 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.632 5.695 -8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.297 6.864 -8.529 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.737 6.252 -6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -19.730 3.660 -7.110 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -20.584 3.257 -8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -18.805 3.281 -8.582 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -16.433 5.555 -7.547 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -17.496 4.135 -7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -17.049 4.757 -9.013 1.00 0.00 H new ATOM 242 N GLN A 30 -17.573 6.286 -10.886 1.00 0.00 N ATOM 243 CA GLN A 30 -16.179 6.184 -11.408 1.00 0.00 C ATOM 244 C GLN A 30 -15.216 5.889 -10.257 1.00 0.00 C ATOM 245 O GLN A 30 -15.021 6.698 -9.372 1.00 0.00 O ATOM 246 CB GLN A 30 -15.791 7.502 -12.079 1.00 0.00 C ATOM 247 CG GLN A 30 -16.493 7.602 -13.434 1.00 0.00 C ATOM 248 CD GLN A 30 -15.977 8.826 -14.191 1.00 0.00 C ATOM 249 OE1 GLN A 30 -15.290 9.658 -13.631 1.00 0.00 O ATOM 250 NE2 GLN A 30 -16.281 8.972 -15.452 1.00 0.00 N ATOM 0 H GLN A 30 -17.918 7.236 -10.751 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.123 5.375 -12.136 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.074 8.343 -11.446 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.710 7.552 -12.211 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -16.311 6.699 -14.016 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.571 7.678 -13.292 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -16.857 8.274 -15.922 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.942 9.784 -15.968 1.00 0.00 H new ATOM 251 N SER A 31 -14.614 4.730 -10.264 1.00 0.00 N ATOM 252 CA SER A 31 -13.669 4.368 -9.170 1.00 0.00 C ATOM 253 C SER A 31 -12.308 5.028 -9.417 1.00 0.00 C ATOM 254 O SER A 31 -11.985 5.407 -10.525 1.00 0.00 O ATOM 255 CB SER A 31 -13.502 2.846 -9.140 1.00 0.00 C ATOM 256 OG SER A 31 -14.752 2.239 -8.849 1.00 0.00 O ATOM 0 H SER A 31 -14.737 4.017 -10.983 1.00 0.00 H new ATOM 0 HA SER A 31 -14.064 4.717 -8.216 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.128 2.491 -10.100 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.765 2.565 -8.388 1.00 0.00 H new ATOM 0 HG SER A 31 -14.649 1.264 -8.845 1.00 0.00 H new ATOM 257 N LEU A 32 -11.512 5.177 -8.389 1.00 0.00 N ATOM 258 CA LEU A 32 -10.177 5.824 -8.565 1.00 0.00 C ATOM 259 C LEU A 32 -9.074 4.869 -8.103 1.00 0.00 C ATOM 260 O LEU A 32 -7.901 5.139 -8.267 1.00 0.00 O ATOM 261 CB LEU A 32 -10.102 7.101 -7.724 1.00 0.00 C ATOM 262 CG LEU A 32 -11.294 8.009 -8.032 1.00 0.00 C ATOM 263 CD1 LEU A 32 -12.562 7.432 -7.399 1.00 0.00 C ATOM 264 CD2 LEU A 32 -11.029 9.399 -7.448 1.00 0.00 C ATOM 0 H LEU A 32 -11.728 4.879 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.042 6.067 -9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.094 6.847 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.171 7.628 -7.933 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.428 8.077 -9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.408 8.082 -7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.752 6.438 -7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.431 7.364 -6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.875 10.052 -7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.897 9.321 -6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.126 9.815 -7.895 1.00 0.00 H new ATOM 265 N ASP A 33 -9.435 3.757 -7.524 1.00 0.00 N ATOM 266 CA ASP A 33 -8.399 2.793 -7.053 1.00 0.00 C ATOM 267 C ASP A 33 -7.903 1.953 -8.230 1.00 0.00 C ATOM 268 O ASP A 33 -7.190 0.985 -8.059 1.00 0.00 O ATOM 269 CB ASP A 33 -9.008 1.872 -5.995 1.00 0.00 C ATOM 270 CG ASP A 33 -9.230 2.655 -4.700 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.782 3.789 -4.632 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.843 2.109 -3.797 1.00 0.00 O ATOM 0 H ASP A 33 -10.401 3.474 -7.357 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.562 3.344 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.954 1.466 -6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.347 1.025 -5.811 1.00 0.00 H new ATOM 273 N GLY A 34 -8.282 2.310 -9.426 1.00 0.00 N ATOM 274 CA GLY A 34 -7.843 1.529 -10.613 1.00 0.00 C ATOM 275 C GLY A 34 -9.076 0.918 -11.273 1.00 0.00 C ATOM 276 O GLY A 34 -9.075 0.599 -12.446 1.00 0.00 O ATOM 0 H GLY A 34 -8.879 3.111 -9.631 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.317 2.173 -11.317 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.146 0.746 -10.315 1.00 0.00 H new ATOM 277 N ILE A 35 -10.133 0.763 -10.524 1.00 0.00 N ATOM 278 CA ILE A 35 -11.377 0.182 -11.098 1.00 0.00 C ATOM 279 C ILE A 35 -12.134 1.276 -11.853 1.00 0.00 C ATOM 280 O ILE A 35 -11.832 2.447 -11.732 1.00 0.00 O ATOM 281 CB ILE A 35 -12.258 -0.367 -9.971 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.403 -1.189 -9.001 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.349 -1.259 -10.567 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.957 -1.045 -7.580 1.00 0.00 C ATOM 0 H ILE A 35 -10.188 1.015 -9.537 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.123 -0.630 -11.780 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.716 0.464 -9.434 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.404 -2.238 -9.298 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.368 -0.849 -9.035 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.977 -1.650 -9.766 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.961 -0.675 -11.255 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -12.888 -2.088 -11.105 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.348 -1.630 -6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.933 0.004 -7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.985 -1.406 -7.552 1.00 0.00 H new ATOM 285 N MET A 36 -13.112 0.908 -12.630 1.00 0.00 N ATOM 286 CA MET A 36 -13.884 1.931 -13.386 1.00 0.00 C ATOM 287 C MET A 36 -15.372 1.753 -13.089 1.00 0.00 C ATOM 288 O MET A 36 -16.203 1.793 -13.974 1.00 0.00 O ATOM 289 CB MET A 36 -13.634 1.755 -14.885 1.00 0.00 C ATOM 290 CG MET A 36 -12.387 2.545 -15.288 1.00 0.00 C ATOM 291 SD MET A 36 -12.246 2.576 -17.093 1.00 0.00 S ATOM 292 CE MET A 36 -12.756 0.865 -17.394 1.00 0.00 C ATOM 0 H MET A 36 -13.410 -0.057 -12.774 1.00 0.00 H new ATOM 0 HA MET A 36 -13.567 2.929 -13.085 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.501 0.699 -15.121 1.00 0.00 H new ATOM 0 HB3 MET A 36 -14.497 2.103 -15.452 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.447 3.562 -14.900 1.00 0.00 H new ATOM 0 HG3 MET A 36 -11.498 2.089 -14.851 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.444 0.563 -18.394 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.291 0.212 -16.656 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.840 0.789 -17.314 1.00 0.00 H new ATOM 293 N PHE A 37 -15.711 1.549 -11.846 1.00 0.00 N ATOM 294 CA PHE A 37 -17.141 1.359 -11.484 1.00 0.00 C ATOM 295 C PHE A 37 -17.254 1.130 -9.974 1.00 0.00 C ATOM 296 O PHE A 37 -17.349 2.062 -9.200 1.00 0.00 O ATOM 297 CB PHE A 37 -17.690 0.145 -12.237 1.00 0.00 C ATOM 298 CG PHE A 37 -19.012 -0.275 -11.639 1.00 0.00 C ATOM 299 CD1 PHE A 37 -19.825 0.670 -11.002 1.00 0.00 C ATOM 300 CD2 PHE A 37 -19.422 -1.609 -11.724 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.049 0.280 -10.448 1.00 0.00 C ATOM 302 CE2 PHE A 37 -20.647 -2.001 -11.170 1.00 0.00 C ATOM 303 CZ PHE A 37 -21.461 -1.057 -10.532 1.00 0.00 C ATOM 0 H PHE A 37 -15.057 1.506 -11.065 1.00 0.00 H new ATOM 0 HA PHE A 37 -17.716 2.244 -11.756 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -17.819 0.388 -13.292 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -16.979 -0.679 -12.184 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -19.507 1.700 -10.938 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -18.794 -2.337 -12.217 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -21.676 1.009 -9.956 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -20.964 -3.031 -11.235 1.00 0.00 H new ATOM 0 HZ PHE A 37 -22.406 -1.359 -10.105 1.00 0.00 H new ATOM 304 N ILE A 38 -17.243 -0.104 -9.548 1.00 0.00 N ATOM 305 CA ILE A 38 -17.350 -0.392 -8.090 1.00 0.00 C ATOM 306 C ILE A 38 -16.059 0.035 -7.390 1.00 0.00 C ATOM 307 O ILE A 38 -14.974 -0.131 -7.911 1.00 0.00 O ATOM 308 CB ILE A 38 -17.572 -1.892 -7.883 1.00 0.00 C ATOM 309 CG1 ILE A 38 -16.279 -2.650 -8.194 1.00 0.00 C ATOM 310 CG2 ILE A 38 -18.684 -2.373 -8.818 1.00 0.00 C ATOM 311 CD1 ILE A 38 -16.437 -4.117 -7.787 1.00 0.00 C ATOM 0 H ILE A 38 -17.164 -0.925 -10.148 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.190 0.161 -7.670 1.00 0.00 H new ATOM 0 HB ILE A 38 -17.859 -2.078 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.050 -2.579 -9.257 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -15.443 -2.201 -7.657 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -18.845 -3.441 -8.673 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -19.605 -1.834 -8.595 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.396 -2.187 -9.852 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -15.516 -4.657 -8.008 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -16.646 -4.178 -6.719 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -17.262 -4.562 -8.344 1.00 0.00 H new ATOM 312 N ASN A 39 -16.166 0.581 -6.211 1.00 0.00 N ATOM 313 CA ASN A 39 -14.945 1.015 -5.478 1.00 0.00 C ATOM 314 C ASN A 39 -15.345 1.717 -4.178 1.00 0.00 C ATOM 315 O ASN A 39 -14.616 1.694 -3.207 1.00 0.00 O ATOM 316 CB ASN A 39 -14.136 1.974 -6.353 1.00 0.00 C ATOM 317 CG ASN A 39 -12.972 2.545 -5.541 1.00 0.00 C ATOM 318 OD1 ASN A 39 -12.273 1.817 -4.865 1.00 0.00 O ATOM 319 ND2 ASN A 39 -12.732 3.828 -5.580 1.00 0.00 N ATOM 0 H ASN A 39 -17.047 0.745 -5.723 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.337 0.142 -5.241 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.759 1.451 -7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.774 2.782 -6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.958 4.219 -5.043 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.319 4.440 -6.148 1.00 0.00 H new ATOM 320 N LYS A 40 -16.498 2.334 -4.140 1.00 0.00 N ATOM 321 CA LYS A 40 -16.922 3.019 -2.889 1.00 0.00 C ATOM 322 C LYS A 40 -16.672 2.073 -1.720 1.00 0.00 C ATOM 323 O LYS A 40 -16.151 2.455 -0.692 1.00 0.00 O ATOM 324 CB LYS A 40 -18.412 3.367 -2.965 1.00 0.00 C ATOM 325 CG LYS A 40 -18.673 4.252 -4.185 1.00 0.00 C ATOM 326 CD LYS A 40 -20.117 4.755 -4.149 1.00 0.00 C ATOM 327 CE LYS A 40 -20.377 5.652 -5.362 1.00 0.00 C ATOM 328 NZ LYS A 40 -21.790 6.127 -5.336 1.00 0.00 N ATOM 0 H LYS A 40 -17.158 2.392 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.356 3.941 -2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.005 2.455 -3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.722 3.883 -2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.983 5.095 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.495 3.689 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.807 3.911 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.297 5.310 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.696 6.503 -5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.184 5.101 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.967 6.736 -6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.432 5.309 -5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.959 6.667 -4.463 1.00 0.00 H new ATOM 329 N CYS A 41 -17.022 0.831 -1.885 1.00 0.00 N ATOM 330 CA CYS A 41 -16.789 -0.165 -0.807 1.00 0.00 C ATOM 331 C CYS A 41 -15.293 -0.457 -0.739 1.00 0.00 C ATOM 332 O CYS A 41 -14.699 -0.510 0.320 1.00 0.00 O ATOM 333 CB CYS A 41 -17.537 -1.453 -1.144 1.00 0.00 C ATOM 334 SG CYS A 41 -17.745 -2.444 0.353 1.00 0.00 S ATOM 0 H CYS A 41 -17.463 0.460 -2.727 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.143 0.222 0.149 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.510 -1.218 -1.575 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.985 -2.020 -1.894 1.00 0.00 H new ATOM 335 N ALA A 42 -14.684 -0.645 -1.876 1.00 0.00 N ATOM 336 CA ALA A 42 -13.225 -0.933 -1.915 1.00 0.00 C ATOM 337 C ALA A 42 -12.450 0.242 -1.312 1.00 0.00 C ATOM 338 O ALA A 42 -11.369 0.074 -0.783 1.00 0.00 O ATOM 339 CB ALA A 42 -12.789 -1.134 -3.366 1.00 0.00 C ATOM 0 H ALA A 42 -15.140 -0.611 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.019 -1.835 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.720 -1.345 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.338 -1.971 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.998 -0.229 -3.937 1.00 0.00 H new ATOM 340 N THR A 43 -12.985 1.431 -1.392 1.00 0.00 N ATOM 341 CA THR A 43 -12.262 2.606 -0.827 1.00 0.00 C ATOM 342 C THR A 43 -12.895 3.012 0.503 1.00 0.00 C ATOM 343 O THR A 43 -12.238 3.546 1.375 1.00 0.00 O ATOM 344 CB THR A 43 -12.345 3.778 -1.807 1.00 0.00 C ATOM 345 OG1 THR A 43 -12.675 3.288 -3.099 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.997 4.497 -1.860 1.00 0.00 C ATOM 0 H THR A 43 -13.886 1.638 -1.822 1.00 0.00 H new ATOM 0 HA THR A 43 -11.218 2.339 -0.664 1.00 0.00 H new ATOM 0 HB THR A 43 -13.113 4.477 -1.476 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.014 2.619 -3.374 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.057 5.332 -2.558 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.745 4.871 -0.868 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.226 3.801 -2.192 1.00 0.00 H new ATOM 347 N CYS A 44 -14.165 2.768 0.671 1.00 0.00 N ATOM 348 CA CYS A 44 -14.825 3.149 1.950 1.00 0.00 C ATOM 349 C CYS A 44 -14.536 2.091 3.012 1.00 0.00 C ATOM 350 O CYS A 44 -14.483 2.382 4.186 1.00 0.00 O ATOM 351 CB CYS A 44 -16.334 3.253 1.746 1.00 0.00 C ATOM 352 SG CYS A 44 -17.109 3.722 3.314 1.00 0.00 S ATOM 0 H CYS A 44 -14.771 2.324 -0.018 1.00 0.00 H new ATOM 0 HA CYS A 44 -14.435 4.113 2.275 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.560 3.993 0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.734 2.300 1.398 1.00 0.00 H new ATOM 353 N LYS A 45 -14.353 0.865 2.618 1.00 0.00 N ATOM 354 CA LYS A 45 -14.069 -0.192 3.626 1.00 0.00 C ATOM 355 C LYS A 45 -12.751 0.134 4.332 1.00 0.00 C ATOM 356 O LYS A 45 -12.637 0.024 5.537 1.00 0.00 O ATOM 357 CB LYS A 45 -13.962 -1.549 2.929 1.00 0.00 C ATOM 358 CG LYS A 45 -13.826 -2.652 3.980 1.00 0.00 C ATOM 359 CD LYS A 45 -13.759 -4.011 3.281 1.00 0.00 C ATOM 360 CE LYS A 45 -12.388 -4.180 2.623 1.00 0.00 C ATOM 361 NZ LYS A 45 -12.043 -5.629 2.562 1.00 0.00 N ATOM 0 H LYS A 45 -14.387 0.549 1.649 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.876 -0.231 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.845 -1.725 2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.101 -1.560 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.928 -2.493 4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.673 -2.624 4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.929 -4.811 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.546 -4.085 2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.399 -3.755 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.631 -3.638 3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.111 -5.745 2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.016 -6.020 3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.761 -6.133 2.003 1.00 0.00 H new ATOM 362 N MET A 46 -11.758 0.544 3.591 1.00 0.00 N ATOM 363 CA MET A 46 -10.451 0.887 4.219 1.00 0.00 C ATOM 364 C MET A 46 -10.536 2.290 4.827 1.00 0.00 C ATOM 365 O MET A 46 -9.869 2.603 5.792 1.00 0.00 O ATOM 366 CB MET A 46 -9.349 0.857 3.158 1.00 0.00 C ATOM 367 CG MET A 46 -9.193 -0.568 2.622 1.00 0.00 C ATOM 368 SD MET A 46 -7.850 -0.615 1.410 1.00 0.00 S ATOM 369 CE MET A 46 -6.488 -0.345 2.570 1.00 0.00 C ATOM 0 H MET A 46 -11.796 0.656 2.578 1.00 0.00 H new ATOM 0 HA MET A 46 -10.220 0.162 5.000 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.596 1.538 2.343 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.408 1.200 3.587 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.981 -1.255 3.442 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.124 -0.898 2.162 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.595 -0.853 2.207 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.289 0.723 2.655 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.759 -0.742 3.548 1.00 0.00 H new ATOM 370 N ILE A 47 -11.357 3.138 4.266 1.00 0.00 N ATOM 371 CA ILE A 47 -11.493 4.520 4.808 1.00 0.00 C ATOM 372 C ILE A 47 -12.550 4.529 5.916 1.00 0.00 C ATOM 373 O ILE A 47 -12.611 5.435 6.723 1.00 0.00 O ATOM 374 CB ILE A 47 -11.923 5.461 3.680 1.00 0.00 C ATOM 375 CG1 ILE A 47 -10.850 5.479 2.591 1.00 0.00 C ATOM 376 CG2 ILE A 47 -12.109 6.876 4.233 1.00 0.00 C ATOM 377 CD1 ILE A 47 -11.388 6.203 1.356 1.00 0.00 C ATOM 0 H ILE A 47 -11.940 2.932 3.455 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.539 4.852 5.217 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.865 5.110 3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.954 5.979 2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.563 4.460 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.415 7.544 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.876 6.866 5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.169 7.227 4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.623 6.216 0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.272 5.683 0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.653 7.227 1.621 1.00 0.00 H new ATOM 378 N LEU A 48 -13.380 3.524 5.957 1.00 0.00 N ATOM 379 CA LEU A 48 -14.437 3.460 7.006 1.00 0.00 C ATOM 380 C LEU A 48 -13.865 2.778 8.250 1.00 0.00 C ATOM 381 O LEU A 48 -14.465 2.786 9.307 1.00 0.00 O ATOM 382 CB LEU A 48 -15.627 2.655 6.469 1.00 0.00 C ATOM 383 CG LEU A 48 -16.757 2.615 7.504 1.00 0.00 C ATOM 384 CD1 LEU A 48 -16.918 3.987 8.161 1.00 0.00 C ATOM 385 CD2 LEU A 48 -18.066 2.235 6.804 1.00 0.00 C ATOM 0 H LEU A 48 -13.372 2.739 5.305 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.770 4.465 7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.989 3.103 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.309 1.640 6.229 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.514 1.879 8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.723 3.947 8.894 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.988 4.264 8.658 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.157 4.729 7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.874 2.205 7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.297 2.975 6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.959 1.254 6.340 1.00 0.00 H new ATOM 386 N GLU A 49 -12.703 2.195 8.134 1.00 0.00 N ATOM 387 CA GLU A 49 -12.083 1.522 9.307 1.00 0.00 C ATOM 388 C GLU A 49 -11.146 2.506 10.007 1.00 0.00 C ATOM 389 O GLU A 49 -10.960 2.460 11.207 1.00 0.00 O ATOM 390 CB GLU A 49 -11.289 0.302 8.834 1.00 0.00 C ATOM 391 CG GLU A 49 -12.260 -0.818 8.454 1.00 0.00 C ATOM 392 CD GLU A 49 -11.470 -2.034 7.964 1.00 0.00 C ATOM 393 OE1 GLU A 49 -10.256 -1.942 7.902 1.00 0.00 O ATOM 394 OE2 GLU A 49 -12.094 -3.037 7.662 1.00 0.00 O ATOM 0 H GLU A 49 -12.156 2.157 7.274 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.859 1.198 10.001 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.669 0.567 7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.616 -0.036 9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.872 -1.091 9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.941 -0.475 7.675 1.00 0.00 H new ATOM 395 N LYS A 50 -10.559 3.405 9.264 1.00 0.00 N ATOM 396 CA LYS A 50 -9.639 4.400 9.882 1.00 0.00 C ATOM 397 C LYS A 50 -10.418 5.246 10.890 1.00 0.00 C ATOM 398 O LYS A 50 -9.911 5.616 11.930 1.00 0.00 O ATOM 399 CB LYS A 50 -9.062 5.306 8.792 1.00 0.00 C ATOM 400 CG LYS A 50 -8.197 4.475 7.842 1.00 0.00 C ATOM 401 CD LYS A 50 -7.577 5.392 6.786 1.00 0.00 C ATOM 402 CE LYS A 50 -6.776 4.553 5.788 1.00 0.00 C ATOM 403 NZ LYS A 50 -5.619 5.346 5.289 1.00 0.00 N ATOM 0 H LYS A 50 -10.678 3.493 8.255 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.825 3.882 10.390 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.869 5.787 8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.467 6.100 9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.413 3.963 8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.801 3.705 7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.359 5.946 6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.928 6.127 7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.425 3.638 6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.412 4.254 4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.074 4.776 4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.965 6.207 4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.008 5.610 6.088 1.00 0.00 H new ATOM 404 N GLU A 51 -11.651 5.553 10.590 1.00 0.00 N ATOM 405 CA GLU A 51 -12.465 6.371 11.532 1.00 0.00 C ATOM 406 C GLU A 51 -12.575 5.637 12.869 1.00 0.00 C ATOM 407 O GLU A 51 -12.612 6.243 13.920 1.00 0.00 O ATOM 408 CB GLU A 51 -13.863 6.584 10.948 1.00 0.00 C ATOM 409 CG GLU A 51 -13.760 7.413 9.666 1.00 0.00 C ATOM 410 CD GLU A 51 -15.164 7.767 9.173 1.00 0.00 C ATOM 411 OE1 GLU A 51 -16.113 7.201 9.689 1.00 0.00 O ATOM 412 OE2 GLU A 51 -15.266 8.600 8.287 1.00 0.00 O ATOM 0 H GLU A 51 -12.129 5.273 9.734 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.987 7.339 11.684 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.330 5.622 10.735 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.498 7.093 11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.189 8.322 9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.225 6.852 8.900 1.00 0.00 H new ATOM 413 N ALA A 52 -12.623 4.333 12.836 1.00 0.00 N ATOM 414 CA ALA A 52 -12.725 3.559 14.105 1.00 0.00 C ATOM 415 C ALA A 52 -11.470 3.801 14.944 1.00 0.00 C ATOM 416 O ALA A 52 -11.492 3.700 16.155 1.00 0.00 O ATOM 417 CB ALA A 52 -12.847 2.067 13.785 1.00 0.00 C ATOM 0 H ALA A 52 -12.596 3.771 11.985 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.605 3.882 14.661 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.922 1.501 14.713 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.739 1.896 13.183 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.967 1.741 13.231 1.00 0.00 H new ATOM 418 N LYS A 53 -10.375 4.121 14.309 1.00 0.00 N ATOM 419 CA LYS A 53 -9.120 4.372 15.069 1.00 0.00 C ATOM 420 C LYS A 53 -9.304 5.605 15.957 1.00 0.00 C ATOM 421 O LYS A 53 -8.745 5.700 17.030 1.00 0.00 O ATOM 422 CB LYS A 53 -7.969 4.617 14.091 1.00 0.00 C ATOM 423 CG LYS A 53 -7.715 3.348 13.273 1.00 0.00 C ATOM 424 CD LYS A 53 -6.501 3.560 12.366 1.00 0.00 C ATOM 425 CE LYS A 53 -6.325 2.345 11.455 1.00 0.00 C ATOM 426 NZ LYS A 53 -5.048 2.470 10.698 1.00 0.00 N ATOM 0 H LYS A 53 -10.297 4.219 13.297 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.890 3.505 15.689 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.212 5.447 13.428 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.068 4.897 14.636 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.542 2.502 13.938 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.593 3.107 12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.635 4.461 11.767 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.605 3.708 12.969 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.320 1.431 12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.164 2.272 10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.929 1.643 10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.070 3.335 10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.252 2.520 11.366 1.00 0.00 H new ATOM 427 N SER A 54 -10.087 6.551 15.514 1.00 0.00 N ATOM 428 CA SER A 54 -10.310 7.777 16.331 1.00 0.00 C ATOM 429 C SER A 54 -10.917 7.386 17.679 1.00 0.00 C ATOM 430 O SER A 54 -10.731 8.060 18.673 1.00 0.00 O ATOM 431 CB SER A 54 -11.269 8.714 15.593 1.00 0.00 C ATOM 432 OG SER A 54 -12.556 8.117 15.527 1.00 0.00 O ATOM 0 H SER A 54 -10.581 6.528 14.622 1.00 0.00 H new ATOM 0 HA SER A 54 -9.359 8.284 16.493 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.327 9.673 16.109 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.897 8.915 14.588 1.00 0.00 H new ATOM 0 HG SER A 54 -12.471 7.189 15.225 1.00 0.00 H new ATOM 433 N GLN A 55 -11.639 6.300 17.722 1.00 0.00 N ATOM 434 CA GLN A 55 -12.256 5.865 19.007 1.00 0.00 C ATOM 435 C GLN A 55 -11.203 5.164 19.867 1.00 0.00 C ATOM 436 O GLN A 55 -10.460 5.857 20.541 1.00 0.00 O ATOM 437 CB GLN A 55 -13.406 4.898 18.717 1.00 0.00 C ATOM 438 CG GLN A 55 -14.128 4.559 20.022 1.00 0.00 C ATOM 439 CD GLN A 55 -15.295 3.615 19.729 1.00 0.00 C ATOM 440 OE1 GLN A 55 -15.618 3.367 18.584 1.00 0.00 O ATOM 441 NE2 GLN A 55 -15.946 3.074 20.722 1.00 0.00 N ATOM 442 OXT GLN A 55 -11.158 3.945 19.835 1.00 0.00 O ATOM 0 H GLN A 55 -11.828 5.695 16.923 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.638 6.735 19.541 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.103 5.347 18.009 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.023 3.989 18.254 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.436 4.092 20.722 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.494 5.470 20.495 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.675 3.282 21.683 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.726 2.443 20.537 1.00 0.00 H new TER 443 GLN A 55