USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=12 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 1 LYS N :NH3+ -158:sc= -0.205 (180deg=-0.895) USER MOD Set 1.2: A 5 GLN : amide:sc= 0 K(o=-0.2,f=-1.8!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc=-0.00856 K(o=-0.0086,f=-1.8!) USER MOD Single : A 7 MET CE :methyl -146:sc= -4.06! (180deg=-5.4!) USER MOD Single : A 9 HIS : no HE2:sc= -2.61! C(o=-2.6!,f=-5.1!) USER MOD Single : A 12 GLN : amide:sc= -4.66! C(o=-4.7!,f=-7.6!) USER MOD Single : A 15 MET CE :methyl 147:sc= -0.126 (180deg=-0.755) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.309 K(o=-0.31,f=-3.1!) 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=-1.4!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 31 SER OG : rot -58:sc= 0.468 USER MOD Single : A 36 MET CE :methyl -154:sc= -0.222 (180deg=-1.45!) USER MOD Single : A 39 ASN : amide:sc= -9.98! C(o=-10!,f=-10!) USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00614) USER MOD Single : A 43 THR OG1 : rot -76:sc= -0.0979! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -123:sc= -0.0501 (180deg=-0.453) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= -0.445 (180deg=-1.37) USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.183) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.264 15.054 3.244 1.00 0.00 N ATOM 2 CA LYS A 1 -7.990 15.210 2.485 1.00 0.00 C ATOM 3 C LYS A 1 -8.162 14.635 1.078 1.00 0.00 C ATOM 4 O LYS A 1 -7.939 15.308 0.091 1.00 0.00 O ATOM 5 CB LYS A 1 -6.870 14.460 3.210 1.00 0.00 C ATOM 6 CG LYS A 1 -6.787 14.943 4.659 1.00 0.00 C ATOM 7 CD LYS A 1 -6.397 16.423 4.683 1.00 0.00 C ATOM 8 CE LYS A 1 -6.116 16.854 6.125 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.381 17.321 6.759 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.290 15.742 4.023 1.00 0.00 H new ATOM 0 H2 LYS A 1 -10.070 15.221 2.608 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.322 14.090 3.631 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.734 16.267 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.060 13.387 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.919 14.628 2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.746 14.801 5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.053 14.354 5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.515 16.588 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.199 17.028 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.699 16.020 6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.373 17.652 6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.191 17.614 7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.760 18.128 6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.076 16.547 6.758 1.00 0.00 H new ATOM 10 N ASN A 2 -8.556 13.396 0.977 1.00 0.00 N ATOM 11 CA ASN A 2 -8.741 12.779 -0.366 1.00 0.00 C ATOM 12 C ASN A 2 -10.236 12.687 -0.684 1.00 0.00 C ATOM 13 O ASN A 2 -11.031 12.282 0.140 1.00 0.00 O ATOM 14 CB ASN A 2 -8.130 11.376 -0.372 1.00 0.00 C ATOM 15 CG ASN A 2 -6.615 11.479 -0.192 1.00 0.00 C ATOM 16 OD1 ASN A 2 -6.041 12.537 -0.366 1.00 0.00 O ATOM 17 ND2 ASN A 2 -5.936 10.419 0.152 1.00 0.00 N ATOM 0 H ASN A 2 -8.758 12.784 1.767 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.247 13.393 -1.119 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.562 10.776 0.429 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -8.362 10.871 -1.309 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.925 10.478 0.275 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.416 9.531 0.298 1.00 0.00 H new ATOM 18 N GLU A 3 -10.623 13.059 -1.873 1.00 0.00 N ATOM 19 CA GLU A 3 -12.066 12.992 -2.243 1.00 0.00 C ATOM 20 C GLU A 3 -12.561 11.553 -2.101 1.00 0.00 C ATOM 21 O GLU A 3 -13.715 11.309 -1.808 1.00 0.00 O ATOM 22 CB GLU A 3 -12.244 13.452 -3.691 1.00 0.00 C ATOM 23 CG GLU A 3 -13.734 13.498 -4.031 1.00 0.00 C ATOM 24 CD GLU A 3 -13.910 13.855 -5.509 1.00 0.00 C ATOM 25 OE1 GLU A 3 -12.905 14.012 -6.183 1.00 0.00 O ATOM 26 OE2 GLU A 3 -15.045 13.963 -5.941 1.00 0.00 O ATOM 0 H GLU A 3 -10.003 13.406 -2.605 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.641 13.642 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.798 14.437 -3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.727 12.771 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.196 12.533 -3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.238 14.235 -3.405 1.00 0.00 H new ATOM 27 N ASP A 4 -11.699 10.596 -2.309 1.00 0.00 N ATOM 28 CA ASP A 4 -12.121 9.173 -2.187 1.00 0.00 C ATOM 29 C ASP A 4 -12.677 8.925 -0.785 1.00 0.00 C ATOM 30 O ASP A 4 -13.604 8.162 -0.598 1.00 0.00 O ATOM 31 CB ASP A 4 -10.917 8.262 -2.426 1.00 0.00 C ATOM 32 CG ASP A 4 -11.389 6.813 -2.550 1.00 0.00 C ATOM 33 OD1 ASP A 4 -12.587 6.593 -2.485 1.00 0.00 O ATOM 34 OD2 ASP A 4 -10.544 5.947 -2.709 1.00 0.00 O ATOM 0 H ASP A 4 -10.720 10.739 -2.558 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.892 8.958 -2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.394 8.564 -3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.208 8.355 -1.603 1.00 0.00 H new ATOM 35 N GLN A 5 -12.118 9.565 0.203 1.00 0.00 N ATOM 36 CA GLN A 5 -12.612 9.370 1.594 1.00 0.00 C ATOM 37 C GLN A 5 -14.077 9.800 1.678 1.00 0.00 C ATOM 38 O GLN A 5 -14.849 9.264 2.449 1.00 0.00 O ATOM 39 CB GLN A 5 -11.774 10.214 2.556 1.00 0.00 C ATOM 40 CG GLN A 5 -10.326 9.718 2.539 1.00 0.00 C ATOM 41 CD GLN A 5 -9.472 10.603 3.450 1.00 0.00 C ATOM 42 OE1 GLN A 5 -9.871 11.695 3.802 1.00 0.00 O ATOM 43 NE2 GLN A 5 -8.305 10.175 3.848 1.00 0.00 N ATOM 0 H GLN A 5 -11.339 10.216 0.107 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.526 8.318 1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.814 11.264 2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.181 10.147 3.565 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.281 8.682 2.875 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.935 9.740 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.970 9.258 3.552 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.728 10.757 4.455 1.00 0.00 H new ATOM 44 N GLU A 6 -14.469 10.762 0.889 1.00 0.00 N ATOM 45 CA GLU A 6 -15.885 11.223 0.920 1.00 0.00 C ATOM 46 C GLU A 6 -16.794 10.103 0.415 1.00 0.00 C ATOM 47 O GLU A 6 -17.891 9.911 0.902 1.00 0.00 O ATOM 48 CB GLU A 6 -16.042 12.452 0.023 1.00 0.00 C ATOM 49 CG GLU A 6 -15.222 13.610 0.595 1.00 0.00 C ATOM 50 CD GLU A 6 -15.446 14.862 -0.254 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.063 14.742 -1.300 1.00 0.00 O ATOM 52 OE2 GLU A 6 -14.998 15.920 0.156 1.00 0.00 O ATOM 0 H GLU A 6 -13.869 11.249 0.223 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.161 11.483 1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.709 12.222 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.093 12.735 -0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.514 13.801 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.164 13.350 0.606 1.00 0.00 H new ATOM 53 N MET A 7 -16.346 9.360 -0.560 1.00 0.00 N ATOM 54 CA MET A 7 -17.182 8.251 -1.097 1.00 0.00 C ATOM 55 C MET A 7 -17.398 7.203 -0.006 1.00 0.00 C ATOM 56 O MET A 7 -18.412 6.536 0.037 1.00 0.00 O ATOM 57 CB MET A 7 -16.467 7.601 -2.283 1.00 0.00 C ATOM 58 CG MET A 7 -16.708 8.430 -3.545 1.00 0.00 C ATOM 59 SD MET A 7 -16.146 7.501 -4.992 1.00 0.00 S ATOM 60 CE MET A 7 -14.464 7.169 -4.412 1.00 0.00 C ATOM 0 H MET A 7 -15.437 9.474 -1.008 1.00 0.00 H new ATOM 0 HA MET A 7 -18.144 8.648 -1.421 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.398 7.530 -2.081 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.833 6.584 -2.428 1.00 0.00 H new ATOM 0 HG2 MET A 7 -17.768 8.667 -3.641 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.174 9.378 -3.478 1.00 0.00 H new ATOM 0 HE1 MET A 7 -13.780 7.170 -5.261 1.00 0.00 H new ATOM 0 HE2 MET A 7 -14.164 7.941 -3.704 1.00 0.00 H new ATOM 0 HE3 MET A 7 -14.434 6.196 -3.922 1.00 0.00 H new ATOM 61 N CYS A 8 -16.449 7.050 0.875 1.00 0.00 N ATOM 62 CA CYS A 8 -16.598 6.041 1.959 1.00 0.00 C ATOM 63 C CYS A 8 -17.727 6.460 2.900 1.00 0.00 C ATOM 64 O CYS A 8 -18.565 5.661 3.270 1.00 0.00 O ATOM 65 CB CYS A 8 -15.289 5.933 2.744 1.00 0.00 C ATOM 66 SG CYS A 8 -15.460 4.675 4.034 1.00 0.00 S ATOM 0 H CYS A 8 -15.578 7.580 0.891 1.00 0.00 H new ATOM 0 HA CYS A 8 -16.836 5.073 1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.471 5.672 2.073 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.040 6.896 3.191 1.00 0.00 H new ATOM 67 N HIS A 9 -17.759 7.706 3.287 1.00 0.00 N ATOM 68 CA HIS A 9 -18.839 8.174 4.200 1.00 0.00 C ATOM 69 C HIS A 9 -20.180 7.603 3.715 1.00 0.00 C ATOM 70 O HIS A 9 -20.940 7.042 4.478 1.00 0.00 O ATOM 71 CB HIS A 9 -18.851 9.721 4.204 1.00 0.00 C ATOM 72 CG HIS A 9 -20.248 10.267 4.032 1.00 0.00 C ATOM 73 ND1 HIS A 9 -21.331 9.768 4.737 1.00 0.00 N ATOM 74 CD2 HIS A 9 -20.749 11.265 3.233 1.00 0.00 C ATOM 75 CE1 HIS A 9 -22.419 10.458 4.352 1.00 0.00 C ATOM 76 NE2 HIS A 9 -22.120 11.385 3.437 1.00 0.00 N ATOM 0 H HIS A 9 -17.084 8.419 3.010 1.00 0.00 H new ATOM 0 HA HIS A 9 -18.668 7.828 5.219 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.430 10.086 5.141 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -18.213 10.092 3.402 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -21.307 9.014 5.424 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.167 11.866 2.550 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.414 10.284 4.736 1.00 0.00 H new ATOM 77 N GLU A 10 -20.469 7.747 2.452 1.00 0.00 N ATOM 78 CA GLU A 10 -21.755 7.221 1.915 1.00 0.00 C ATOM 79 C GLU A 10 -21.869 5.721 2.199 1.00 0.00 C ATOM 80 O GLU A 10 -22.942 5.214 2.462 1.00 0.00 O ATOM 81 CB GLU A 10 -21.808 7.459 0.405 1.00 0.00 C ATOM 82 CG GLU A 10 -21.938 8.959 0.128 1.00 0.00 C ATOM 83 CD GLU A 10 -23.185 9.500 0.830 1.00 0.00 C ATOM 84 OE1 GLU A 10 -24.026 8.698 1.203 1.00 0.00 O ATOM 85 OE2 GLU A 10 -23.277 10.707 0.984 1.00 0.00 O ATOM 0 H GLU A 10 -19.869 8.207 1.767 1.00 0.00 H new ATOM 0 HA GLU A 10 -22.583 7.738 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -20.907 7.068 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -22.653 6.924 -0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.051 9.484 0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.005 9.137 -0.945 1.00 0.00 H new ATOM 86 N PHE A 11 -20.780 4.998 2.146 1.00 0.00 N ATOM 87 CA PHE A 11 -20.860 3.533 2.413 1.00 0.00 C ATOM 88 C PHE A 11 -20.998 3.295 3.918 1.00 0.00 C ATOM 89 O PHE A 11 -21.458 2.257 4.351 1.00 0.00 O ATOM 90 CB PHE A 11 -19.599 2.825 1.893 1.00 0.00 C ATOM 91 CG PHE A 11 -19.939 1.967 0.687 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.189 1.335 0.593 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.003 1.810 -0.347 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.501 0.559 -0.529 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.318 1.030 -1.464 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.567 0.407 -1.556 1.00 0.00 C ATOM 0 H PHE A 11 -19.849 5.355 1.932 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.729 3.127 1.896 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -18.844 3.563 1.622 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.170 2.205 2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -21.911 1.448 1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.039 2.292 -0.280 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.465 0.077 -0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.595 0.908 -2.257 1.00 0.00 H new ATOM 0 HZ PHE A 11 -20.809 -0.192 -2.422 1.00 0.00 H new ATOM 97 N GLN A 12 -20.614 4.250 4.721 1.00 0.00 N ATOM 98 CA GLN A 12 -20.739 4.072 6.195 1.00 0.00 C ATOM 99 C GLN A 12 -22.210 3.841 6.543 1.00 0.00 C ATOM 100 O GLN A 12 -22.537 3.050 7.406 1.00 0.00 O ATOM 101 CB GLN A 12 -20.230 5.328 6.907 1.00 0.00 C ATOM 102 CG GLN A 12 -20.312 5.125 8.421 1.00 0.00 C ATOM 103 CD GLN A 12 -19.851 6.400 9.131 1.00 0.00 C ATOM 104 OE1 GLN A 12 -19.419 7.341 8.497 1.00 0.00 O ATOM 105 NE2 GLN A 12 -19.926 6.470 10.433 1.00 0.00 N ATOM 0 H GLN A 12 -20.221 5.142 4.421 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.147 3.216 6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -19.201 5.534 6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.825 6.192 6.613 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -21.334 4.883 8.712 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.688 4.283 8.720 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -20.289 5.680 10.966 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.622 7.315 10.917 1.00 0.00 H new ATOM 106 N ALA A 13 -23.101 4.518 5.870 1.00 0.00 N ATOM 107 CA ALA A 13 -24.550 4.326 6.155 1.00 0.00 C ATOM 108 C ALA A 13 -24.945 2.898 5.776 1.00 0.00 C ATOM 109 O ALA A 13 -25.694 2.243 6.473 1.00 0.00 O ATOM 110 CB ALA A 13 -25.372 5.321 5.332 1.00 0.00 C ATOM 0 H ALA A 13 -22.888 5.194 5.137 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.743 4.494 7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.432 5.179 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.083 6.338 5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.187 5.156 4.271 1.00 0.00 H new ATOM 111 N PHE A 14 -24.438 2.409 4.676 1.00 0.00 N ATOM 112 CA PHE A 14 -24.771 1.021 4.253 1.00 0.00 C ATOM 113 C PHE A 14 -24.005 0.028 5.129 1.00 0.00 C ATOM 114 O PHE A 14 -24.172 -1.171 5.017 1.00 0.00 O ATOM 115 CB PHE A 14 -24.367 0.821 2.790 1.00 0.00 C ATOM 116 CG PHE A 14 -25.180 1.740 1.911 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.464 1.363 1.504 1.00 0.00 C ATOM 118 CD2 PHE A 14 -24.646 2.967 1.499 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.217 2.213 0.685 1.00 0.00 C ATOM 120 CE2 PHE A 14 -25.399 3.818 0.681 1.00 0.00 C ATOM 121 CZ PHE A 14 -26.684 3.441 0.274 1.00 0.00 C ATOM 0 H PHE A 14 -23.807 2.913 4.053 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.843 0.856 4.360 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.304 1.027 2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.528 -0.216 2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.875 0.416 1.822 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.654 3.257 1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.208 1.922 0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -24.988 4.765 0.364 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.265 4.097 -0.357 1.00 0.00 H new ATOM 122 N MET A 15 -23.162 0.517 5.998 1.00 0.00 N ATOM 123 CA MET A 15 -22.385 -0.397 6.878 1.00 0.00 C ATOM 124 C MET A 15 -23.268 -0.851 8.042 1.00 0.00 C ATOM 125 O MET A 15 -23.852 -0.044 8.739 1.00 0.00 O ATOM 126 CB MET A 15 -21.161 0.341 7.423 1.00 0.00 C ATOM 127 CG MET A 15 -20.231 -0.658 8.111 1.00 0.00 C ATOM 128 SD MET A 15 -18.844 0.228 8.865 1.00 0.00 S ATOM 129 CE MET A 15 -19.756 0.933 10.259 1.00 0.00 C ATOM 0 H MET A 15 -22.979 1.511 6.135 1.00 0.00 H new ATOM 0 HA MET A 15 -22.060 -1.266 6.307 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.635 0.845 6.612 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.471 1.111 8.129 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.777 -1.215 8.872 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.862 -1.385 7.388 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.098 1.006 11.125 1.00 0.00 H new ATOM 0 HE2 MET A 15 -20.117 1.926 9.993 1.00 0.00 H new ATOM 0 HE3 MET A 15 -20.604 0.292 10.501 1.00 0.00 H new ATOM 130 N LYS A 16 -23.377 -2.134 8.256 1.00 0.00 N ATOM 131 CA LYS A 16 -24.230 -2.627 9.373 1.00 0.00 C ATOM 132 C LYS A 16 -23.468 -3.678 10.185 1.00 0.00 C ATOM 133 O LYS A 16 -22.714 -4.466 9.649 1.00 0.00 O ATOM 134 CB LYS A 16 -25.504 -3.251 8.803 1.00 0.00 C ATOM 135 CG LYS A 16 -26.567 -3.337 9.901 1.00 0.00 C ATOM 136 CD LYS A 16 -27.828 -3.997 9.339 1.00 0.00 C ATOM 137 CE LYS A 16 -28.840 -4.205 10.469 1.00 0.00 C ATOM 138 NZ LYS A 16 -29.566 -5.488 10.255 1.00 0.00 N ATOM 0 H LYS A 16 -22.914 -2.859 7.708 1.00 0.00 H new ATOM 0 HA LYS A 16 -24.490 -1.791 10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -25.874 -2.652 7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -25.290 -4.245 8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.188 -3.913 10.745 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -26.801 -2.340 10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -28.262 -3.372 8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.577 -4.953 8.880 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -28.329 -4.220 11.431 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -29.546 -3.375 10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -30.254 -5.630 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -30.066 -5.456 9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -28.886 -6.275 10.250 1.00 0.00 H new ATOM 139 N ASN A 17 -23.663 -3.697 11.476 1.00 0.00 N ATOM 140 CA ASN A 17 -22.957 -4.697 12.326 1.00 0.00 C ATOM 141 C ASN A 17 -21.457 -4.656 12.027 1.00 0.00 C ATOM 142 O ASN A 17 -20.776 -5.661 12.081 1.00 0.00 O ATOM 143 CB ASN A 17 -23.500 -6.095 12.021 1.00 0.00 C ATOM 144 CG ASN A 17 -23.394 -6.967 13.274 1.00 0.00 C ATOM 145 OD1 ASN A 17 -23.080 -6.481 14.342 1.00 0.00 O ATOM 146 ND2 ASN A 17 -23.645 -8.245 13.186 1.00 0.00 N ATOM 0 H ASN A 17 -24.282 -3.062 11.979 1.00 0.00 H new ATOM 0 HA ASN A 17 -23.122 -4.462 13.377 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -24.539 -6.031 11.696 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -22.938 -6.545 11.203 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -23.578 -8.836 14.014 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -23.909 -8.652 12.289 1.00 0.00 H new ATOM 147 N GLY A 18 -20.937 -3.503 11.707 1.00 0.00 N ATOM 148 CA GLY A 18 -19.482 -3.402 11.401 1.00 0.00 C ATOM 149 C GLY A 18 -19.212 -4.048 10.041 1.00 0.00 C ATOM 150 O GLY A 18 -18.080 -4.288 9.668 1.00 0.00 O ATOM 0 H GLY A 18 -21.456 -2.627 11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.172 -2.357 11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.899 -3.899 12.176 1.00 0.00 H new ATOM 151 N LYS A 19 -20.246 -4.330 9.299 1.00 0.00 N ATOM 152 CA LYS A 19 -20.062 -4.960 7.964 1.00 0.00 C ATOM 153 C LYS A 19 -20.443 -3.954 6.876 1.00 0.00 C ATOM 154 O LYS A 19 -21.407 -3.226 7.004 1.00 0.00 O ATOM 155 CB LYS A 19 -20.965 -6.190 7.860 1.00 0.00 C ATOM 156 CG LYS A 19 -20.589 -6.997 6.616 1.00 0.00 C ATOM 157 CD LYS A 19 -21.846 -7.276 5.790 1.00 0.00 C ATOM 158 CE LYS A 19 -21.684 -8.602 5.046 1.00 0.00 C ATOM 159 NZ LYS A 19 -21.749 -8.358 3.577 1.00 0.00 N ATOM 0 H LYS A 19 -21.215 -4.150 9.562 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.022 -5.259 7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.860 -6.807 8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.010 -5.884 7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.863 -6.446 6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.117 -7.935 6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.720 -7.316 6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -22.014 -6.467 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.732 -9.064 5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -22.468 -9.297 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -21.639 -9.259 3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.668 -7.935 3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.986 -7.709 3.299 1.00 0.00 H new ATOM 160 N LEU A 20 -19.696 -3.904 5.808 1.00 0.00 N ATOM 161 CA LEU A 20 -20.022 -2.940 4.720 1.00 0.00 C ATOM 162 C LEU A 20 -20.898 -3.624 3.670 1.00 0.00 C ATOM 163 O LEU A 20 -20.513 -4.608 3.070 1.00 0.00 O ATOM 164 CB LEU A 20 -18.729 -2.451 4.061 1.00 0.00 C ATOM 165 CG LEU A 20 -19.069 -1.667 2.791 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.718 -0.337 3.171 1.00 0.00 C ATOM 167 CD2 LEU A 20 -17.791 -1.398 1.996 1.00 0.00 C ATOM 0 H LEU A 20 -18.876 -4.487 5.642 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.559 -2.091 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.172 -1.819 4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.089 -3.299 3.817 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.760 -2.250 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -19.960 0.221 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.631 -0.526 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.027 0.244 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.035 -0.840 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.099 -0.817 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.326 -2.345 1.723 1.00 0.00 H new ATOM 168 N PHE A 21 -22.072 -3.104 3.436 1.00 0.00 N ATOM 169 CA PHE A 21 -22.967 -3.718 2.416 1.00 0.00 C ATOM 170 C PHE A 21 -22.713 -3.053 1.062 1.00 0.00 C ATOM 171 O PHE A 21 -22.842 -1.853 0.916 1.00 0.00 O ATOM 172 CB PHE A 21 -24.427 -3.506 2.820 1.00 0.00 C ATOM 173 CG PHE A 21 -24.756 -4.386 4.003 1.00 0.00 C ATOM 174 CD1 PHE A 21 -24.109 -4.184 5.227 1.00 0.00 C ATOM 175 CD2 PHE A 21 -25.708 -5.404 3.873 1.00 0.00 C ATOM 176 CE1 PHE A 21 -24.414 -5.001 6.323 1.00 0.00 C ATOM 177 CE2 PHE A 21 -26.013 -6.219 4.969 1.00 0.00 C ATOM 178 CZ PHE A 21 -25.367 -6.019 6.194 1.00 0.00 C ATOM 0 H PHE A 21 -22.449 -2.281 3.907 1.00 0.00 H new ATOM 0 HA PHE A 21 -22.764 -4.787 2.347 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.597 -2.460 3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -25.085 -3.742 1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.375 -3.398 5.327 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -26.207 -5.560 2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -23.914 -4.846 7.268 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -26.748 -7.004 4.869 1.00 0.00 H new ATOM 0 HZ PHE A 21 -25.603 -6.649 7.039 1.00 0.00 H new ATOM 179 N CYS A 22 -22.348 -3.819 0.072 1.00 0.00 N ATOM 180 CA CYS A 22 -22.082 -3.226 -1.267 1.00 0.00 C ATOM 181 C CYS A 22 -23.238 -3.558 -2.214 1.00 0.00 C ATOM 182 O CYS A 22 -23.101 -4.355 -3.120 1.00 0.00 O ATOM 183 CB CYS A 22 -20.781 -3.802 -1.827 1.00 0.00 C ATOM 184 SG CYS A 22 -19.742 -2.457 -2.449 1.00 0.00 S ATOM 0 H CYS A 22 -22.223 -4.829 0.133 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.991 -2.144 -1.174 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.252 -4.355 -1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.999 -4.508 -2.629 1.00 0.00 H new ATOM 185 N PRO A 23 -24.401 -2.925 -1.996 1.00 0.00 N ATOM 186 CA PRO A 23 -25.592 -3.145 -2.828 1.00 0.00 C ATOM 187 C PRO A 23 -25.420 -2.559 -4.233 1.00 0.00 C ATOM 188 O PRO A 23 -24.521 -1.783 -4.487 1.00 0.00 O ATOM 189 CB PRO A 23 -26.693 -2.391 -2.083 1.00 0.00 C ATOM 190 CG PRO A 23 -25.968 -1.344 -1.305 1.00 0.00 C ATOM 191 CD PRO A 23 -24.648 -1.948 -0.922 1.00 0.00 C ATOM 0 HA PRO A 23 -25.801 -4.205 -2.969 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.408 -1.947 -2.775 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -27.255 -3.055 -1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -25.826 -0.443 -1.902 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.535 -1.053 -0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -23.860 -1.196 -0.873 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.693 -2.427 0.056 1.00 0.00 H new ATOM 192 N GLN A 24 -26.277 -2.925 -5.145 1.00 0.00 N ATOM 193 CA GLN A 24 -26.166 -2.387 -6.531 1.00 0.00 C ATOM 194 C GLN A 24 -26.659 -0.939 -6.554 1.00 0.00 C ATOM 195 O GLN A 24 -27.787 -0.651 -6.210 1.00 0.00 O ATOM 196 CB GLN A 24 -27.022 -3.233 -7.475 1.00 0.00 C ATOM 197 CG GLN A 24 -26.768 -2.801 -8.920 1.00 0.00 C ATOM 198 CD GLN A 24 -27.579 -3.688 -9.867 1.00 0.00 C ATOM 199 OE1 GLN A 24 -28.171 -4.663 -9.450 1.00 0.00 O ATOM 200 NE2 GLN A 24 -27.632 -3.388 -11.137 1.00 0.00 N ATOM 0 H GLN A 24 -27.049 -3.573 -4.991 1.00 0.00 H new ATOM 0 HA GLN A 24 -25.126 -2.422 -6.855 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -26.782 -4.289 -7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -28.077 -3.116 -7.229 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -27.049 -1.756 -9.053 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -25.706 -2.878 -9.153 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -27.135 -2.569 -11.489 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -28.170 -3.972 -11.777 1.00 0.00 H new ATOM 201 N ASP A 25 -25.820 -0.023 -6.956 1.00 0.00 N ATOM 202 CA ASP A 25 -26.239 1.407 -6.998 1.00 0.00 C ATOM 203 C ASP A 25 -26.818 1.732 -8.375 1.00 0.00 C ATOM 204 O ASP A 25 -26.136 1.660 -9.378 1.00 0.00 O ATOM 205 CB ASP A 25 -25.026 2.299 -6.732 1.00 0.00 C ATOM 206 CG ASP A 25 -25.460 3.766 -6.747 1.00 0.00 C ATOM 207 OD1 ASP A 25 -26.656 4.009 -6.752 1.00 0.00 O ATOM 208 OD2 ASP A 25 -24.590 4.621 -6.754 1.00 0.00 O ATOM 0 H ASP A 25 -24.862 -0.203 -7.257 1.00 0.00 H new ATOM 0 HA ASP A 25 -26.998 1.585 -6.236 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -24.582 2.050 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -24.261 2.127 -7.489 1.00 0.00 H new ATOM 209 N LYS A 26 -28.071 2.094 -8.433 1.00 0.00 N ATOM 210 CA LYS A 26 -28.689 2.426 -9.747 1.00 0.00 C ATOM 211 C LYS A 26 -27.786 3.405 -10.498 1.00 0.00 C ATOM 212 O LYS A 26 -27.688 3.373 -11.709 1.00 0.00 O ATOM 213 CB LYS A 26 -30.061 3.065 -9.518 1.00 0.00 C ATOM 214 CG LYS A 26 -30.962 2.081 -8.770 1.00 0.00 C ATOM 215 CD LYS A 26 -32.352 2.694 -8.592 1.00 0.00 C ATOM 216 CE LYS A 26 -33.254 1.705 -7.849 1.00 0.00 C ATOM 217 NZ LYS A 26 -34.526 2.381 -7.468 1.00 0.00 N ATOM 0 H LYS A 26 -28.692 2.174 -7.628 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.808 1.517 -10.336 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.954 3.986 -8.944 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.513 3.335 -10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -31.034 1.145 -9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.531 1.844 -7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -32.281 3.628 -8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -32.782 2.935 -9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -33.464 0.842 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -32.747 1.332 -6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -35.139 1.709 -6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -34.317 3.191 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -35.011 2.716 -8.325 1.00 0.00 H new ATOM 218 N LYS A 27 -27.121 4.273 -9.787 1.00 0.00 N ATOM 219 CA LYS A 27 -26.218 5.253 -10.455 1.00 0.00 C ATOM 220 C LYS A 27 -24.764 4.884 -10.152 1.00 0.00 C ATOM 221 O LYS A 27 -24.207 5.288 -9.152 1.00 0.00 O ATOM 222 CB LYS A 27 -26.513 6.660 -9.930 1.00 0.00 C ATOM 223 CG LYS A 27 -27.529 7.343 -10.848 1.00 0.00 C ATOM 224 CD LYS A 27 -26.842 8.470 -11.621 1.00 0.00 C ATOM 225 CE LYS A 27 -27.122 9.807 -10.933 1.00 0.00 C ATOM 226 NZ LYS A 27 -26.123 10.817 -11.384 1.00 0.00 N ATOM 0 H LYS A 27 -27.164 4.346 -8.771 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.383 5.230 -11.532 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -26.903 6.606 -8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -25.594 7.244 -9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -27.953 6.617 -11.542 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -28.355 7.742 -10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.768 8.291 -11.667 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -27.206 8.495 -12.648 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -28.130 10.146 -11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.072 9.689 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -26.313 11.726 -10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -25.166 10.494 -11.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.192 10.937 -12.415 1.00 0.00 H new ATOM 227 N PRO A 28 -24.145 4.090 -11.038 1.00 0.00 N ATOM 228 CA PRO A 28 -22.755 3.646 -10.875 1.00 0.00 C ATOM 229 C PRO A 28 -21.759 4.798 -11.030 1.00 0.00 C ATOM 230 O PRO A 28 -21.832 5.577 -11.960 1.00 0.00 O ATOM 231 CB PRO A 28 -22.567 2.637 -12.008 1.00 0.00 C ATOM 232 CG PRO A 28 -23.572 3.037 -13.034 1.00 0.00 C ATOM 233 CD PRO A 28 -24.754 3.563 -12.272 1.00 0.00 C ATOM 0 HA PRO A 28 -22.575 3.235 -9.882 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.554 2.674 -12.409 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.736 1.617 -11.663 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.167 3.798 -13.701 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -23.855 2.187 -13.655 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.279 4.341 -12.827 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.480 2.778 -12.060 1.00 0.00 H new ATOM 234 N ILE A 29 -20.828 4.909 -10.123 1.00 0.00 N ATOM 235 CA ILE A 29 -19.821 6.004 -10.210 1.00 0.00 C ATOM 236 C ILE A 29 -18.504 5.446 -10.748 1.00 0.00 C ATOM 237 O ILE A 29 -18.206 4.276 -10.601 1.00 0.00 O ATOM 238 CB ILE A 29 -19.583 6.591 -8.815 1.00 0.00 C ATOM 239 CG1 ILE A 29 -18.785 7.897 -8.945 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.800 5.578 -7.966 1.00 0.00 C ATOM 241 CD1 ILE A 29 -18.081 8.221 -7.626 1.00 0.00 C ATOM 0 H ILE A 29 -20.721 4.286 -9.322 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.191 6.781 -10.879 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.537 6.801 -8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.050 7.804 -9.744 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -19.453 8.714 -9.219 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.628 5.992 -6.972 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.373 4.655 -7.881 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.842 5.368 -8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -17.519 9.149 -7.732 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -18.823 8.334 -6.836 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -17.399 7.411 -7.369 1.00 0.00 H new ATOM 242 N GLN A 30 -17.702 6.275 -11.359 1.00 0.00 N ATOM 243 CA GLN A 30 -16.398 5.791 -11.889 1.00 0.00 C ATOM 244 C GLN A 30 -15.339 5.943 -10.796 1.00 0.00 C ATOM 245 O GLN A 30 -15.037 7.036 -10.360 1.00 0.00 O ATOM 246 CB GLN A 30 -16.006 6.619 -13.114 1.00 0.00 C ATOM 247 CG GLN A 30 -17.070 6.448 -14.201 1.00 0.00 C ATOM 248 CD GLN A 30 -16.647 7.212 -15.457 1.00 0.00 C ATOM 249 OE1 GLN A 30 -15.868 8.141 -15.383 1.00 0.00 O ATOM 250 NE2 GLN A 30 -17.132 6.856 -16.615 1.00 0.00 N ATOM 0 H GLN A 30 -17.894 7.265 -11.513 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.477 4.744 -12.182 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -15.913 7.670 -12.842 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.033 6.299 -13.487 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -17.201 5.391 -14.433 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.031 6.818 -13.845 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.786 6.076 -16.676 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.857 7.358 -17.459 1.00 0.00 H new ATOM 251 N SER A 31 -14.789 4.855 -10.333 1.00 0.00 N ATOM 252 CA SER A 31 -13.769 4.938 -9.250 1.00 0.00 C ATOM 253 C SER A 31 -12.406 5.321 -9.824 1.00 0.00 C ATOM 254 O SER A 31 -12.283 5.705 -10.969 1.00 0.00 O ATOM 255 CB SER A 31 -13.656 3.584 -8.552 1.00 0.00 C ATOM 256 OG SER A 31 -13.019 2.658 -9.418 1.00 0.00 O ATOM 0 H SER A 31 -15.002 3.912 -10.658 1.00 0.00 H new ATOM 0 HA SER A 31 -14.080 5.702 -8.537 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.087 3.685 -7.628 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.646 3.220 -8.278 1.00 0.00 H new ATOM 0 HG SER A 31 -13.533 2.580 -10.249 1.00 0.00 H new ATOM 257 N LEU A 32 -11.379 5.220 -9.022 1.00 0.00 N ATOM 258 CA LEU A 32 -10.013 5.579 -9.493 1.00 0.00 C ATOM 259 C LEU A 32 -9.103 4.353 -9.384 1.00 0.00 C ATOM 260 O LEU A 32 -8.023 4.318 -9.938 1.00 0.00 O ATOM 261 CB LEU A 32 -9.446 6.701 -8.618 1.00 0.00 C ATOM 262 CG LEU A 32 -10.456 7.847 -8.506 1.00 0.00 C ATOM 263 CD1 LEU A 32 -11.617 7.428 -7.600 1.00 0.00 C ATOM 264 CD2 LEU A 32 -9.766 9.068 -7.899 1.00 0.00 C ATOM 0 H LEU A 32 -11.430 4.902 -8.054 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.064 5.913 -10.529 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.212 6.315 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.513 7.069 -9.045 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.838 8.088 -9.498 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.333 8.247 -7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.111 6.553 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.235 7.186 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.481 9.887 -7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.387 8.817 -6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.937 9.373 -8.538 1.00 0.00 H new ATOM 265 N ASP A 33 -9.533 3.348 -8.670 1.00 0.00 N ATOM 266 CA ASP A 33 -8.694 2.126 -8.519 1.00 0.00 C ATOM 267 C ASP A 33 -8.838 1.243 -9.761 1.00 0.00 C ATOM 268 O ASP A 33 -8.357 0.128 -9.799 1.00 0.00 O ATOM 269 CB ASP A 33 -9.151 1.345 -7.286 1.00 0.00 C ATOM 270 CG ASP A 33 -8.705 2.083 -6.021 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.022 3.086 -6.154 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.054 1.633 -4.943 1.00 0.00 O ATOM 0 H ASP A 33 -10.430 3.321 -8.185 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.650 2.418 -8.403 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.235 1.235 -7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.729 0.340 -7.302 1.00 0.00 H new ATOM 273 N GLY A 34 -9.499 1.727 -10.776 1.00 0.00 N ATOM 274 CA GLY A 34 -9.674 0.908 -12.009 1.00 0.00 C ATOM 275 C GLY A 34 -10.952 0.077 -11.884 1.00 0.00 C ATOM 276 O GLY A 34 -11.187 -0.838 -12.646 1.00 0.00 O ATOM 0 H GLY A 34 -9.925 2.653 -10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.731 1.555 -12.885 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.813 0.254 -12.151 1.00 0.00 H new ATOM 277 N ILE A 35 -11.779 0.392 -10.923 1.00 0.00 N ATOM 278 CA ILE A 35 -13.043 -0.376 -10.740 1.00 0.00 C ATOM 279 C ILE A 35 -14.237 0.533 -11.046 1.00 0.00 C ATOM 280 O ILE A 35 -14.089 1.721 -11.246 1.00 0.00 O ATOM 281 CB ILE A 35 -13.136 -0.862 -9.288 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.829 -1.551 -8.892 1.00 0.00 C ATOM 283 CG2 ILE A 35 -14.292 -1.853 -9.147 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.840 -1.832 -7.387 1.00 0.00 C ATOM 0 H ILE A 35 -11.633 1.150 -10.256 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.052 -1.232 -11.414 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.310 -0.006 -8.636 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.713 -2.482 -9.446 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.979 -0.919 -9.149 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.354 -2.195 -8.114 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -15.226 -1.364 -9.424 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.121 -2.707 -9.803 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.910 -2.323 -7.102 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.936 -0.893 -6.842 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.682 -2.480 -7.144 1.00 0.00 H new ATOM 285 N MET A 36 -15.419 -0.017 -11.082 1.00 0.00 N ATOM 286 CA MET A 36 -16.618 0.817 -11.368 1.00 0.00 C ATOM 287 C MET A 36 -17.491 0.892 -10.113 1.00 0.00 C ATOM 288 O MET A 36 -18.217 -0.029 -9.800 1.00 0.00 O ATOM 289 CB MET A 36 -17.419 0.181 -12.506 1.00 0.00 C ATOM 290 CG MET A 36 -16.620 0.276 -13.807 1.00 0.00 C ATOM 291 SD MET A 36 -17.667 -0.219 -15.197 1.00 0.00 S ATOM 292 CE MET A 36 -18.061 -1.882 -14.602 1.00 0.00 C ATOM 0 H MET A 36 -15.606 -1.008 -10.926 1.00 0.00 H new ATOM 0 HA MET A 36 -16.306 1.820 -11.658 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.635 -0.862 -12.275 1.00 0.00 H new ATOM 0 HB3 MET A 36 -18.378 0.688 -12.618 1.00 0.00 H new ATOM 0 HG2 MET A 36 -16.262 1.295 -13.953 1.00 0.00 H new ATOM 0 HG3 MET A 36 -15.741 -0.366 -13.754 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.292 -2.527 -15.450 1.00 0.00 H new ATOM 0 HE2 MET A 36 -17.206 -2.287 -14.061 1.00 0.00 H new ATOM 0 HE3 MET A 36 -18.923 -1.836 -13.936 1.00 0.00 H new ATOM 293 N PHE A 37 -17.423 1.982 -9.392 1.00 0.00 N ATOM 294 CA PHE A 37 -18.249 2.123 -8.153 1.00 0.00 C ATOM 295 C PHE A 37 -17.778 1.131 -7.089 1.00 0.00 C ATOM 296 O PHE A 37 -17.422 1.511 -5.992 1.00 0.00 O ATOM 297 CB PHE A 37 -19.721 1.861 -8.476 1.00 0.00 C ATOM 298 CG PHE A 37 -20.539 1.978 -7.212 1.00 0.00 C ATOM 299 CD1 PHE A 37 -20.642 0.886 -6.343 1.00 0.00 C ATOM 300 CD2 PHE A 37 -21.195 3.178 -6.908 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.399 0.992 -5.170 1.00 0.00 C ATOM 302 CE2 PHE A 37 -21.952 3.284 -5.735 1.00 0.00 C ATOM 303 CZ PHE A 37 -22.054 2.192 -4.866 1.00 0.00 C ATOM 0 H PHE A 37 -16.830 2.783 -9.608 1.00 0.00 H new ATOM 0 HA PHE A 37 -18.136 3.138 -7.772 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -20.075 2.576 -9.219 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -19.839 0.867 -8.908 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -20.137 -0.039 -6.577 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -21.117 4.021 -7.578 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -21.478 0.149 -4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -22.458 4.209 -5.501 1.00 0.00 H new ATOM 0 HZ PHE A 37 -22.638 2.275 -3.961 1.00 0.00 H new ATOM 304 N ILE A 38 -17.786 -0.135 -7.400 1.00 0.00 N ATOM 305 CA ILE A 38 -17.349 -1.160 -6.408 1.00 0.00 C ATOM 306 C ILE A 38 -16.129 -0.648 -5.638 1.00 0.00 C ATOM 307 O ILE A 38 -15.907 -1.012 -4.500 1.00 0.00 O ATOM 308 CB ILE A 38 -16.986 -2.454 -7.137 1.00 0.00 C ATOM 309 CG1 ILE A 38 -18.196 -2.948 -7.932 1.00 0.00 C ATOM 310 CG2 ILE A 38 -16.580 -3.520 -6.116 1.00 0.00 C ATOM 311 CD1 ILE A 38 -19.432 -2.950 -7.030 1.00 0.00 C ATOM 0 H ILE A 38 -18.078 -0.507 -8.304 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.162 -1.352 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.155 -2.266 -7.817 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -18.364 -2.305 -8.796 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -18.009 -3.952 -8.313 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -16.321 -4.442 -6.636 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -15.718 -3.170 -5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -17.411 -3.708 -5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -20.295 -3.302 -7.596 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -19.261 -3.611 -6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -19.622 -1.939 -6.671 1.00 0.00 H new ATOM 312 N ASN A 39 -15.339 0.196 -6.244 1.00 0.00 N ATOM 313 CA ASN A 39 -14.143 0.729 -5.534 1.00 0.00 C ATOM 314 C ASN A 39 -14.588 1.385 -4.228 1.00 0.00 C ATOM 315 O ASN A 39 -13.892 1.341 -3.234 1.00 0.00 O ATOM 316 CB ASN A 39 -13.438 1.768 -6.406 1.00 0.00 C ATOM 317 CG ASN A 39 -12.015 1.988 -5.884 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.341 1.046 -5.515 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.523 3.198 -5.833 1.00 0.00 N ATOM 0 H ASN A 39 -15.470 0.538 -7.196 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.454 -0.089 -5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.409 1.430 -7.442 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.992 2.707 -6.392 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.576 3.349 -5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.086 3.991 -6.142 1.00 0.00 H new ATOM 320 N LYS A 40 -15.744 1.991 -4.218 1.00 0.00 N ATOM 321 CA LYS A 40 -16.224 2.640 -2.971 1.00 0.00 C ATOM 322 C LYS A 40 -16.055 1.662 -1.812 1.00 0.00 C ATOM 323 O LYS A 40 -15.577 2.012 -0.753 1.00 0.00 O ATOM 324 CB LYS A 40 -17.699 3.018 -3.118 1.00 0.00 C ATOM 325 CG LYS A 40 -17.821 4.263 -3.997 1.00 0.00 C ATOM 326 CD LYS A 40 -19.207 4.882 -3.811 1.00 0.00 C ATOM 327 CE LYS A 40 -19.392 6.035 -4.799 1.00 0.00 C ATOM 328 NZ LYS A 40 -20.091 7.163 -4.120 1.00 0.00 N ATOM 0 H LYS A 40 -16.373 2.063 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.647 3.544 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.255 2.191 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.136 3.208 -2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.049 4.986 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.666 4.000 -5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.977 4.127 -3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.320 5.244 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.423 6.366 -5.174 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.970 5.701 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.187 7.960 -4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.035 6.852 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.539 7.465 -3.292 1.00 0.00 H new ATOM 329 N CYS A 41 -16.431 0.432 -2.013 1.00 0.00 N ATOM 330 CA CYS A 41 -16.278 -0.580 -0.933 1.00 0.00 C ATOM 331 C CYS A 41 -14.791 -0.886 -0.753 1.00 0.00 C ATOM 332 O CYS A 41 -14.280 -0.933 0.348 1.00 0.00 O ATOM 333 CB CYS A 41 -16.998 -1.872 -1.329 1.00 0.00 C ATOM 334 SG CYS A 41 -18.732 -1.807 -0.822 1.00 0.00 S ATOM 0 H CYS A 41 -16.839 0.083 -2.880 1.00 0.00 H new ATOM 0 HA CYS A 41 -16.704 -0.192 -0.008 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -16.933 -2.016 -2.407 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.508 -2.727 -0.863 1.00 0.00 H new ATOM 335 N ALA A 42 -14.098 -1.102 -1.839 1.00 0.00 N ATOM 336 CA ALA A 42 -12.645 -1.416 -1.756 1.00 0.00 C ATOM 337 C ALA A 42 -11.884 -0.223 -1.175 1.00 0.00 C ATOM 338 O ALA A 42 -10.839 -0.376 -0.576 1.00 0.00 O ATOM 339 CB ALA A 42 -12.116 -1.718 -3.159 1.00 0.00 C ATOM 0 H ALA A 42 -14.480 -1.074 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.500 -2.281 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.052 -1.949 -3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.652 -2.572 -3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.267 -0.849 -3.799 1.00 0.00 H new ATOM 340 N THR A 43 -12.394 0.965 -1.348 1.00 0.00 N ATOM 341 CA THR A 43 -11.687 2.158 -0.807 1.00 0.00 C ATOM 342 C THR A 43 -12.329 2.574 0.518 1.00 0.00 C ATOM 343 O THR A 43 -11.660 3.004 1.437 1.00 0.00 O ATOM 344 CB THR A 43 -11.789 3.307 -1.812 1.00 0.00 C ATOM 345 OG1 THR A 43 -13.101 3.342 -2.357 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.772 3.098 -2.937 1.00 0.00 C ATOM 0 H THR A 43 -13.267 1.160 -1.839 1.00 0.00 H new ATOM 0 HA THR A 43 -10.638 1.916 -0.639 1.00 0.00 H new ATOM 0 HB THR A 43 -11.579 4.250 -1.308 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.201 2.623 -3.016 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.846 3.918 -3.652 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.766 3.072 -2.518 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.978 2.155 -3.443 1.00 0.00 H new ATOM 347 N CYS A 44 -13.622 2.451 0.622 1.00 0.00 N ATOM 348 CA CYS A 44 -14.312 2.841 1.884 1.00 0.00 C ATOM 349 C CYS A 44 -13.956 1.859 3.000 1.00 0.00 C ATOM 350 O CYS A 44 -13.870 2.224 4.153 1.00 0.00 O ATOM 351 CB CYS A 44 -15.826 2.818 1.669 1.00 0.00 C ATOM 352 SG CYS A 44 -16.659 3.269 3.212 1.00 0.00 S ATOM 0 H CYS A 44 -14.233 2.096 -0.114 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.991 3.844 2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.103 3.514 0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.144 1.826 1.348 1.00 0.00 H new ATOM 353 N LYS A 45 -13.758 0.615 2.672 1.00 0.00 N ATOM 354 CA LYS A 45 -13.420 -0.384 3.725 1.00 0.00 C ATOM 355 C LYS A 45 -12.178 0.074 4.491 1.00 0.00 C ATOM 356 O LYS A 45 -12.080 -0.095 5.690 1.00 0.00 O ATOM 357 CB LYS A 45 -13.151 -1.739 3.069 1.00 0.00 C ATOM 358 CG LYS A 45 -13.300 -2.851 4.109 1.00 0.00 C ATOM 359 CD LYS A 45 -12.785 -4.166 3.519 1.00 0.00 C ATOM 360 CE LYS A 45 -12.790 -5.250 4.598 1.00 0.00 C ATOM 361 NZ LYS A 45 -12.939 -6.587 3.956 1.00 0.00 N ATOM 0 H LYS A 45 -13.815 0.245 1.723 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.254 -0.476 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.848 -1.901 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.147 -1.756 2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.741 -2.599 5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.345 -2.954 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.412 -4.470 2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.776 -4.031 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.864 -5.211 5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.607 -5.078 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.943 -7.325 4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.834 -6.620 3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.145 -6.750 3.304 1.00 0.00 H new ATOM 362 N MET A 46 -11.230 0.657 3.812 1.00 0.00 N ATOM 363 CA MET A 46 -10.001 1.131 4.507 1.00 0.00 C ATOM 364 C MET A 46 -10.273 2.510 5.107 1.00 0.00 C ATOM 365 O MET A 46 -9.737 2.870 6.136 1.00 0.00 O ATOM 366 CB MET A 46 -8.849 1.224 3.504 1.00 0.00 C ATOM 367 CG MET A 46 -8.405 -0.187 3.110 1.00 0.00 C ATOM 368 SD MET A 46 -6.869 -0.091 2.156 1.00 0.00 S ATOM 369 CE MET A 46 -5.751 0.168 3.555 1.00 0.00 C ATOM 0 H MET A 46 -11.253 0.826 2.806 1.00 0.00 H new ATOM 0 HA MET A 46 -9.730 0.432 5.298 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.165 1.778 2.620 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.014 1.771 3.942 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.254 -0.795 4.002 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.182 -0.673 2.520 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.192 1.092 3.408 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.330 0.237 4.476 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.056 -0.669 3.625 1.00 0.00 H new ATOM 370 N ILE A 47 -11.114 3.281 4.472 1.00 0.00 N ATOM 371 CA ILE A 47 -11.433 4.633 5.005 1.00 0.00 C ATOM 372 C ILE A 47 -12.488 4.499 6.105 1.00 0.00 C ATOM 373 O ILE A 47 -12.658 5.376 6.928 1.00 0.00 O ATOM 374 CB ILE A 47 -11.974 5.512 3.874 1.00 0.00 C ATOM 375 CG1 ILE A 47 -10.966 5.538 2.723 1.00 0.00 C ATOM 376 CG2 ILE A 47 -12.190 6.936 4.393 1.00 0.00 C ATOM 377 CD1 ILE A 47 -11.612 6.186 1.495 1.00 0.00 C ATOM 0 H ILE A 47 -11.593 3.031 3.607 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.533 5.091 5.415 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.922 5.106 3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.077 6.096 3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.643 4.525 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.575 7.562 3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.907 6.919 5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.242 7.342 4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.895 6.205 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.488 5.610 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.913 7.205 1.737 1.00 0.00 H new ATOM 378 N LEU A 48 -13.194 3.398 6.130 1.00 0.00 N ATOM 379 CA LEU A 48 -14.230 3.201 7.181 1.00 0.00 C ATOM 380 C LEU A 48 -13.535 3.020 8.529 1.00 0.00 C ATOM 381 O LEU A 48 -13.997 3.496 9.548 1.00 0.00 O ATOM 382 CB LEU A 48 -15.054 1.949 6.860 1.00 0.00 C ATOM 383 CG LEU A 48 -16.464 2.072 7.454 1.00 0.00 C ATOM 384 CD1 LEU A 48 -16.396 2.705 8.847 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.331 2.940 6.538 1.00 0.00 C ATOM 0 H LEU A 48 -13.096 2.629 5.467 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.891 4.067 7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.117 1.814 5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.558 1.066 7.263 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.902 1.078 7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.402 2.787 9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.786 2.081 9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.951 3.698 8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.332 3.027 6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.887 3.932 6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.392 2.480 5.552 1.00 0.00 H new ATOM 386 N GLU A 49 -12.422 2.337 8.541 1.00 0.00 N ATOM 387 CA GLU A 49 -11.690 2.128 9.823 1.00 0.00 C ATOM 388 C GLU A 49 -11.162 3.473 10.325 1.00 0.00 C ATOM 389 O GLU A 49 -11.041 3.701 11.512 1.00 0.00 O ATOM 390 CB GLU A 49 -10.516 1.173 9.591 1.00 0.00 C ATOM 391 CG GLU A 49 -11.042 -0.169 9.079 1.00 0.00 C ATOM 392 CD GLU A 49 -9.868 -1.114 8.825 1.00 0.00 C ATOM 393 OE1 GLU A 49 -8.743 -0.643 8.825 1.00 0.00 O ATOM 394 OE2 GLU A 49 -10.114 -2.294 8.633 1.00 0.00 O ATOM 0 H GLU A 49 -11.989 1.915 7.720 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.364 1.699 10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.821 1.603 8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.962 1.028 10.519 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.723 -0.607 9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.610 -0.022 8.160 1.00 0.00 H new ATOM 395 N LYS A 50 -10.847 4.366 9.426 1.00 0.00 N ATOM 396 CA LYS A 50 -10.330 5.698 9.847 1.00 0.00 C ATOM 397 C LYS A 50 -11.326 6.347 10.809 1.00 0.00 C ATOM 398 O LYS A 50 -10.948 6.967 11.783 1.00 0.00 O ATOM 399 CB LYS A 50 -10.157 6.588 8.613 1.00 0.00 C ATOM 400 CG LYS A 50 -9.503 7.908 9.022 1.00 0.00 C ATOM 401 CD LYS A 50 -9.380 8.816 7.796 1.00 0.00 C ATOM 402 CE LYS A 50 -8.603 10.079 8.171 1.00 0.00 C ATOM 403 NZ LYS A 50 -7.518 9.728 9.131 1.00 0.00 N ATOM 0 H LYS A 50 -10.926 4.230 8.418 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.368 5.577 10.346 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.542 6.081 7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.125 6.778 8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.098 8.398 9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.518 7.721 9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.870 8.289 6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.370 9.082 7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.179 10.537 7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.274 10.813 8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.813 10.493 9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.922 9.602 10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.060 8.844 8.830 1.00 0.00 H new ATOM 404 N GLU A 51 -12.596 6.207 10.544 1.00 0.00 N ATOM 405 CA GLU A 51 -13.616 6.815 11.445 1.00 0.00 C ATOM 406 C GLU A 51 -13.419 6.281 12.866 1.00 0.00 C ATOM 407 O GLU A 51 -13.666 6.969 13.836 1.00 0.00 O ATOM 408 CB GLU A 51 -15.017 6.450 10.951 1.00 0.00 C ATOM 409 CG GLU A 51 -15.251 7.076 9.574 1.00 0.00 C ATOM 410 CD GLU A 51 -16.676 6.772 9.110 1.00 0.00 C ATOM 411 OE1 GLU A 51 -17.339 5.988 9.769 1.00 0.00 O ATOM 412 OE2 GLU A 51 -17.082 7.328 8.103 1.00 0.00 O ATOM 0 H GLU A 51 -12.971 5.698 9.743 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.504 7.899 11.444 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.123 5.367 10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.767 6.806 11.657 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.095 8.154 9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.532 6.681 8.856 1.00 0.00 H new ATOM 413 N ALA A 52 -12.975 5.061 12.995 1.00 0.00 N ATOM 414 CA ALA A 52 -12.761 4.488 14.353 1.00 0.00 C ATOM 415 C ALA A 52 -11.658 5.274 15.065 1.00 0.00 C ATOM 416 O ALA A 52 -11.632 5.366 16.277 1.00 0.00 O ATOM 417 CB ALA A 52 -12.344 3.021 14.228 1.00 0.00 C ATOM 0 H ALA A 52 -12.752 4.437 12.220 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.685 4.554 14.927 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.187 2.601 15.222 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.128 2.462 13.718 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.419 2.953 13.656 1.00 0.00 H new ATOM 418 N LYS A 53 -10.749 5.843 14.322 1.00 0.00 N ATOM 419 CA LYS A 53 -9.651 6.625 14.956 1.00 0.00 C ATOM 420 C LYS A 53 -10.251 7.772 15.770 1.00 0.00 C ATOM 421 O LYS A 53 -9.731 8.154 16.800 1.00 0.00 O ATOM 422 CB LYS A 53 -8.737 7.194 13.869 1.00 0.00 C ATOM 423 CG LYS A 53 -8.043 6.047 13.131 1.00 0.00 C ATOM 424 CD LYS A 53 -7.042 6.619 12.125 1.00 0.00 C ATOM 425 CE LYS A 53 -6.439 5.480 11.302 1.00 0.00 C ATOM 426 NZ LYS A 53 -6.341 5.896 9.874 1.00 0.00 N ATOM 0 H LYS A 53 -10.719 5.800 13.303 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.072 5.976 15.613 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.318 7.793 13.167 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.994 7.856 14.314 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.530 5.400 13.843 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.781 5.432 12.616 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.538 7.333 11.468 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.254 7.161 12.648 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.452 5.223 11.686 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.057 4.587 11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.767 5.205 9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.294 5.940 9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.894 6.833 9.815 1.00 0.00 H new ATOM 427 N SER A 54 -11.343 8.324 15.316 1.00 0.00 N ATOM 428 CA SER A 54 -11.977 9.445 16.065 1.00 0.00 C ATOM 429 C SER A 54 -12.384 8.961 17.457 1.00 0.00 C ATOM 430 O SER A 54 -12.447 9.728 18.398 1.00 0.00 O ATOM 431 CB SER A 54 -13.217 9.926 15.309 1.00 0.00 C ATOM 432 OG SER A 54 -12.857 10.271 13.979 1.00 0.00 O ATOM 0 H SER A 54 -11.823 8.047 14.460 1.00 0.00 H new ATOM 0 HA SER A 54 -11.268 10.267 16.159 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.977 9.144 15.300 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.652 10.788 15.814 1.00 0.00 H new ATOM 0 HG SER A 54 -13.652 10.577 13.494 1.00 0.00 H new ATOM 433 N GLN A 55 -12.661 7.694 17.596 1.00 0.00 N ATOM 434 CA GLN A 55 -13.064 7.160 18.928 1.00 0.00 C ATOM 435 C GLN A 55 -12.996 5.632 18.907 1.00 0.00 C ATOM 436 O GLN A 55 -11.922 5.103 19.139 1.00 0.00 O ATOM 437 CB GLN A 55 -14.493 7.604 19.244 1.00 0.00 C ATOM 438 CG GLN A 55 -14.853 7.186 20.671 1.00 0.00 C ATOM 439 CD GLN A 55 -14.093 8.066 21.666 1.00 0.00 C ATOM 440 OE1 GLN A 55 -14.303 9.261 21.722 1.00 0.00 O ATOM 441 NE2 GLN A 55 -13.212 7.521 22.460 1.00 0.00 N ATOM 442 OXT GLN A 55 -14.020 5.017 18.659 1.00 0.00 O ATOM 0 H GLN A 55 -12.626 7.005 16.845 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.388 7.542 19.693 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.581 8.685 19.137 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -15.190 7.156 18.536 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.927 7.283 20.830 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.600 6.138 20.829 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.035 6.518 22.413 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.700 8.099 23.127 1.00 0.00 H new TER 443 GLN A 55