USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=10 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= -10.4! C(o=-11!,f=-12!) USER MOD Set 1.2: A 43 THR OG1 : rot -83:sc= -0.203! USER MOD Set 2.1: A 16 LYS NZ :NH3+ 175:sc= 0.00516 (180deg=0) USER MOD Set 2.2: A 17 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.12) USER MOD Single : A 1 LYS N :NH3+ -163:sc= -0.0374 (180deg=-0.45) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc=-0.000459 K(o=-0.00046,f=-1.5!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 7 MET CE :methyl -157:sc= -0.93 (180deg=-2.87!) USER MOD Single : A 9 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-5.1!) USER MOD Single : A 12 GLN : amide:sc= -2.64! C(o=-2.6!,f=-4.2!) USER MOD Single : A 15 MET CE :methyl -145:sc= -0.377 (180deg=-2.19!) 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=-1.5!) USER MOD Single : A 31 SER OG : rot -67:sc= 0.0483 USER MOD Single : A 36 MET CE :methyl -144:sc= -0.16 (180deg=-1.16) USER MOD Single : A 40 LYS NZ :NH3+ -149:sc= -0.823 (180deg=-2.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -157:sc= -0.0967 (180deg=-0.903) 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 88:sc= 0.013 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.629 13.024 -3.417 1.00 0.00 N ATOM 2 CA LYS A 1 -6.838 11.676 -2.817 1.00 0.00 C ATOM 3 C LYS A 1 -7.842 11.781 -1.667 1.00 0.00 C ATOM 4 O LYS A 1 -8.676 10.918 -1.477 1.00 0.00 O ATOM 5 CB LYS A 1 -5.507 11.142 -2.286 1.00 0.00 C ATOM 6 CG LYS A 1 -4.535 10.944 -3.450 1.00 0.00 C ATOM 7 CD LYS A 1 -3.247 10.298 -2.935 1.00 0.00 C ATOM 8 CE LYS A 1 -2.228 10.216 -4.072 1.00 0.00 C ATOM 9 NZ LYS A 1 -1.660 8.839 -4.131 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.190 12.923 -4.354 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.545 13.506 -3.515 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.006 13.585 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.224 10.996 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.086 11.840 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.664 10.198 -1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.990 10.314 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.312 11.903 -3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -2.840 10.881 -2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.457 9.301 -2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.704 10.466 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.431 10.943 -3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -0.967 8.782 -4.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -1.192 8.618 -3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.425 8.155 -4.301 1.00 0.00 H new ATOM 10 N ASN A 2 -7.767 12.831 -0.897 1.00 0.00 N ATOM 11 CA ASN A 2 -8.717 12.989 0.241 1.00 0.00 C ATOM 12 C ASN A 2 -10.151 12.993 -0.290 1.00 0.00 C ATOM 13 O ASN A 2 -11.071 12.559 0.375 1.00 0.00 O ATOM 14 CB ASN A 2 -8.435 14.309 0.961 1.00 0.00 C ATOM 15 CG ASN A 2 -7.028 14.271 1.563 1.00 0.00 C ATOM 16 OD1 ASN A 2 -6.449 13.214 1.716 1.00 0.00 O ATOM 17 ND2 ASN A 2 -6.451 15.388 1.913 1.00 0.00 N ATOM 0 H ASN A 2 -7.090 13.586 -1.006 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.590 12.161 0.939 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.521 15.142 0.263 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.174 14.473 1.746 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.514 15.374 2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.937 16.275 1.784 1.00 0.00 H new ATOM 18 N GLU A 3 -10.350 13.476 -1.485 1.00 0.00 N ATOM 19 CA GLU A 3 -11.727 13.506 -2.057 1.00 0.00 C ATOM 20 C GLU A 3 -12.256 12.075 -2.178 1.00 0.00 C ATOM 21 O GLU A 3 -13.441 11.831 -2.075 1.00 0.00 O ATOM 22 CB GLU A 3 -11.690 14.155 -3.441 1.00 0.00 C ATOM 23 CG GLU A 3 -13.118 14.299 -3.973 1.00 0.00 C ATOM 24 CD GLU A 3 -13.077 14.822 -5.411 1.00 0.00 C ATOM 25 OE1 GLU A 3 -11.985 15.019 -5.917 1.00 0.00 O ATOM 26 OE2 GLU A 3 -14.138 15.017 -5.980 1.00 0.00 O ATOM 0 H GLU A 3 -9.620 13.851 -2.090 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.381 14.083 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.211 15.132 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.095 13.548 -4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.629 13.337 -3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.685 14.983 -3.342 1.00 0.00 H new ATOM 27 N ASP A 4 -11.385 11.128 -2.394 1.00 0.00 N ATOM 28 CA ASP A 4 -11.839 9.714 -2.520 1.00 0.00 C ATOM 29 C ASP A 4 -12.486 9.270 -1.207 1.00 0.00 C ATOM 30 O ASP A 4 -13.357 8.424 -1.188 1.00 0.00 O ATOM 31 CB ASP A 4 -10.636 8.818 -2.825 1.00 0.00 C ATOM 32 CG ASP A 4 -9.896 9.356 -4.051 1.00 0.00 C ATOM 33 OD1 ASP A 4 -10.484 10.140 -4.778 1.00 0.00 O ATOM 34 OD2 ASP A 4 -8.752 8.977 -4.241 1.00 0.00 O ATOM 0 H ASP A 4 -10.380 11.272 -2.489 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.565 9.634 -3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.965 8.788 -1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.967 7.796 -3.007 1.00 0.00 H new ATOM 35 N GLN A 5 -12.067 9.837 -0.108 1.00 0.00 N ATOM 36 CA GLN A 5 -12.659 9.450 1.202 1.00 0.00 C ATOM 37 C GLN A 5 -14.138 9.839 1.225 1.00 0.00 C ATOM 38 O GLN A 5 -14.947 9.209 1.879 1.00 0.00 O ATOM 39 CB GLN A 5 -11.922 10.174 2.330 1.00 0.00 C ATOM 40 CG GLN A 5 -10.456 9.736 2.346 1.00 0.00 C ATOM 41 CD GLN A 5 -9.720 10.458 3.476 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.154 11.498 3.932 1.00 0.00 O ATOM 43 NE2 GLN A 5 -8.617 9.948 3.950 1.00 0.00 N ATOM 0 H GLN A 5 -11.340 10.551 -0.062 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.564 8.373 1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.989 11.253 2.189 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.390 9.949 3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.389 8.657 2.485 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.987 9.963 1.389 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.253 9.075 3.567 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.119 10.422 4.703 1.00 0.00 H new ATOM 44 N GLU A 6 -14.500 10.872 0.514 1.00 0.00 N ATOM 45 CA GLU A 6 -15.926 11.301 0.494 1.00 0.00 C ATOM 46 C GLU A 6 -16.792 10.155 -0.031 1.00 0.00 C ATOM 47 O GLU A 6 -17.913 9.964 0.395 1.00 0.00 O ATOM 48 CB GLU A 6 -16.080 12.518 -0.421 1.00 0.00 C ATOM 49 CG GLU A 6 -17.517 13.039 -0.340 1.00 0.00 C ATOM 50 CD GLU A 6 -17.708 14.166 -1.356 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.763 14.463 -2.067 1.00 0.00 O ATOM 52 OE2 GLU A 6 -18.797 14.713 -1.406 1.00 0.00 O ATOM 0 H GLU A 6 -13.869 11.437 -0.054 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.242 11.564 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.381 13.300 -0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.838 12.247 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.220 12.231 -0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.728 13.402 0.666 1.00 0.00 H new ATOM 53 N MET A 7 -16.279 9.389 -0.956 1.00 0.00 N ATOM 54 CA MET A 7 -17.074 8.256 -1.505 1.00 0.00 C ATOM 55 C MET A 7 -17.307 7.218 -0.407 1.00 0.00 C ATOM 56 O MET A 7 -18.306 6.528 -0.394 1.00 0.00 O ATOM 57 CB MET A 7 -16.310 7.608 -2.662 1.00 0.00 C ATOM 58 CG MET A 7 -16.467 8.466 -3.919 1.00 0.00 C ATOM 59 SD MET A 7 -15.710 7.618 -5.328 1.00 0.00 S ATOM 60 CE MET A 7 -14.135 7.218 -4.530 1.00 0.00 C ATOM 0 H MET A 7 -15.346 9.499 -1.354 1.00 0.00 H new ATOM 0 HA MET A 7 -18.033 8.628 -1.865 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.255 7.509 -2.405 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.689 6.603 -2.845 1.00 0.00 H new ATOM 0 HG2 MET A 7 -17.523 8.650 -4.117 1.00 0.00 H new ATOM 0 HG3 MET A 7 -15.996 9.438 -3.770 1.00 0.00 H new ATOM 0 HE1 MET A 7 -13.370 7.066 -5.291 1.00 0.00 H new ATOM 0 HE2 MET A 7 -13.839 8.039 -3.877 1.00 0.00 H new ATOM 0 HE3 MET A 7 -14.247 6.308 -3.941 1.00 0.00 H new ATOM 61 N CYS A 8 -16.392 7.102 0.515 1.00 0.00 N ATOM 62 CA CYS A 8 -16.564 6.107 1.609 1.00 0.00 C ATOM 63 C CYS A 8 -17.692 6.558 2.535 1.00 0.00 C ATOM 64 O CYS A 8 -18.485 5.761 2.998 1.00 0.00 O ATOM 65 CB CYS A 8 -15.267 5.990 2.411 1.00 0.00 C ATOM 66 SG CYS A 8 -15.494 4.788 3.746 1.00 0.00 S ATOM 0 H CYS A 8 -15.534 7.652 0.558 1.00 0.00 H new ATOM 0 HA CYS A 8 -16.810 5.137 1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.451 5.678 1.760 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -14.992 6.961 2.823 1.00 0.00 H new ATOM 67 N HIS A 9 -17.770 7.830 2.810 1.00 0.00 N ATOM 68 CA HIS A 9 -18.848 8.334 3.706 1.00 0.00 C ATOM 69 C HIS A 9 -20.171 7.658 3.334 1.00 0.00 C ATOM 70 O HIS A 9 -20.881 7.150 4.180 1.00 0.00 O ATOM 71 CB HIS A 9 -18.973 9.853 3.539 1.00 0.00 C ATOM 72 CG HIS A 9 -20.290 10.319 4.098 1.00 0.00 C ATOM 73 ND1 HIS A 9 -21.497 9.991 3.503 1.00 0.00 N ATOM 74 CD2 HIS A 9 -20.607 11.079 5.196 1.00 0.00 C ATOM 75 CE1 HIS A 9 -22.475 10.547 4.238 1.00 0.00 C ATOM 76 NE2 HIS A 9 -21.988 11.222 5.282 1.00 0.00 N ATOM 0 H HIS A 9 -17.134 8.543 2.453 1.00 0.00 H new ATOM 0 HA HIS A 9 -18.607 8.104 4.744 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.152 10.354 4.052 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -18.900 10.120 2.485 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -19.893 11.502 5.888 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.527 10.459 4.012 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -22.515 11.733 5.990 1.00 0.00 H new ATOM 77 N GLU A 10 -20.508 7.652 2.074 1.00 0.00 N ATOM 78 CA GLU A 10 -21.784 7.015 1.643 1.00 0.00 C ATOM 79 C GLU A 10 -21.795 5.539 2.050 1.00 0.00 C ATOM 80 O GLU A 10 -22.809 5.011 2.460 1.00 0.00 O ATOM 81 CB GLU A 10 -21.919 7.126 0.124 1.00 0.00 C ATOM 82 CG GLU A 10 -23.315 6.666 -0.299 1.00 0.00 C ATOM 83 CD GLU A 10 -24.364 7.620 0.276 1.00 0.00 C ATOM 84 OE1 GLU A 10 -24.038 8.779 0.470 1.00 0.00 O ATOM 85 OE2 GLU A 10 -25.475 7.176 0.513 1.00 0.00 O ATOM 0 H GLU A 10 -19.953 8.062 1.322 1.00 0.00 H new ATOM 0 HA GLU A 10 -22.619 7.524 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.752 8.156 -0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -21.160 6.516 -0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.387 6.642 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -23.498 5.652 0.055 1.00 0.00 H new ATOM 86 N PHE A 11 -20.682 4.861 1.938 1.00 0.00 N ATOM 87 CA PHE A 11 -20.662 3.419 2.319 1.00 0.00 C ATOM 88 C PHE A 11 -20.556 3.290 3.840 1.00 0.00 C ATOM 89 O PHE A 11 -20.452 2.203 4.373 1.00 0.00 O ATOM 90 CB PHE A 11 -19.468 2.711 1.661 1.00 0.00 C ATOM 91 CG PHE A 11 -19.927 1.894 0.467 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.185 1.269 0.466 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.087 1.764 -0.649 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.596 0.524 -0.645 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.504 1.021 -1.758 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.758 0.402 -1.757 1.00 0.00 C ATOM 0 H PHE A 11 -19.796 5.239 1.603 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.585 2.952 1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -18.731 3.448 1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -18.978 2.062 2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -21.835 1.363 1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.117 2.238 -0.652 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.563 0.042 -0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.856 0.925 -2.617 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.079 -0.170 -2.615 1.00 0.00 H new ATOM 97 N GLN A 12 -20.587 4.386 4.548 1.00 0.00 N ATOM 98 CA GLN A 12 -20.497 4.310 6.033 1.00 0.00 C ATOM 99 C GLN A 12 -21.886 4.017 6.602 1.00 0.00 C ATOM 100 O GLN A 12 -22.028 3.375 7.624 1.00 0.00 O ATOM 101 CB GLN A 12 -19.985 5.641 6.590 1.00 0.00 C ATOM 102 CG GLN A 12 -18.496 5.789 6.269 1.00 0.00 C ATOM 103 CD GLN A 12 -17.994 7.144 6.775 1.00 0.00 C ATOM 104 OE1 GLN A 12 -18.778 8.024 7.071 1.00 0.00 O ATOM 105 NE2 GLN A 12 -16.711 7.349 6.886 1.00 0.00 N ATOM 0 H GLN A 12 -20.670 5.327 4.164 1.00 0.00 H new ATOM 0 HA GLN A 12 -19.806 3.516 6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -20.546 6.469 6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.141 5.681 7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.931 4.983 6.737 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -18.336 5.709 5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.053 6.610 6.638 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.365 8.248 7.221 1.00 0.00 H new ATOM 106 N ALA A 13 -22.914 4.478 5.942 1.00 0.00 N ATOM 107 CA ALA A 13 -24.295 4.221 6.438 1.00 0.00 C ATOM 108 C ALA A 13 -24.699 2.793 6.071 1.00 0.00 C ATOM 109 O ALA A 13 -25.542 2.191 6.706 1.00 0.00 O ATOM 110 CB ALA A 13 -25.266 5.211 5.789 1.00 0.00 C ATOM 0 H ALA A 13 -22.856 5.021 5.081 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.326 4.346 7.520 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.276 5.022 6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -24.973 6.229 6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.241 5.088 4.706 1.00 0.00 H new ATOM 111 N PHE A 14 -24.098 2.245 5.050 1.00 0.00 N ATOM 112 CA PHE A 14 -24.438 0.855 4.639 1.00 0.00 C ATOM 113 C PHE A 14 -23.607 -0.135 5.461 1.00 0.00 C ATOM 114 O PHE A 14 -23.689 -1.333 5.273 1.00 0.00 O ATOM 115 CB PHE A 14 -24.122 0.667 3.153 1.00 0.00 C ATOM 116 CG PHE A 14 -25.060 1.511 2.324 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.353 1.055 2.045 1.00 0.00 C ATOM 118 CD2 PHE A 14 -24.634 2.750 1.829 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.221 1.837 1.275 1.00 0.00 C ATOM 120 CE2 PHE A 14 -25.502 3.532 1.058 1.00 0.00 C ATOM 121 CZ PHE A 14 -26.796 3.075 0.781 1.00 0.00 C ATOM 0 H PHE A 14 -23.385 2.702 4.482 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.499 0.676 4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.089 0.950 2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.224 -0.383 2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.681 0.099 2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.636 3.102 2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.219 1.485 1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.174 4.488 0.677 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.466 3.678 0.186 1.00 0.00 H new ATOM 122 N MET A 15 -22.801 0.355 6.364 1.00 0.00 N ATOM 123 CA MET A 15 -21.963 -0.559 7.190 1.00 0.00 C ATOM 124 C MET A 15 -22.807 -1.149 8.321 1.00 0.00 C ATOM 125 O MET A 15 -23.527 -0.447 9.003 1.00 0.00 O ATOM 126 CB MET A 15 -20.791 0.226 7.786 1.00 0.00 C ATOM 127 CG MET A 15 -19.664 -0.741 8.158 1.00 0.00 C ATOM 128 SD MET A 15 -20.164 -1.724 9.592 1.00 0.00 S ATOM 129 CE MET A 15 -20.310 -0.354 10.765 1.00 0.00 C ATOM 0 H MET A 15 -22.687 1.349 6.565 1.00 0.00 H new ATOM 0 HA MET A 15 -21.583 -1.366 6.564 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.430 0.962 7.068 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.119 0.775 8.668 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.438 -1.395 7.316 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.753 -0.186 8.383 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.999 -0.688 11.755 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.673 0.470 10.443 1.00 0.00 H new ATOM 0 HE3 MET A 15 -21.346 -0.017 10.804 1.00 0.00 H new ATOM 130 N LYS A 16 -22.725 -2.435 8.526 1.00 0.00 N ATOM 131 CA LYS A 16 -23.523 -3.067 9.615 1.00 0.00 C ATOM 132 C LYS A 16 -22.670 -4.114 10.337 1.00 0.00 C ATOM 133 O LYS A 16 -21.892 -4.821 9.730 1.00 0.00 O ATOM 134 CB LYS A 16 -24.759 -3.744 9.017 1.00 0.00 C ATOM 135 CG LYS A 16 -25.796 -3.970 10.118 1.00 0.00 C ATOM 136 CD LYS A 16 -27.033 -4.652 9.526 1.00 0.00 C ATOM 137 CE LYS A 16 -28.011 -4.998 10.651 1.00 0.00 C ATOM 138 NZ LYS A 16 -27.948 -6.461 10.930 1.00 0.00 N ATOM 0 H LYS A 16 -22.141 -3.075 7.988 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.834 -2.300 10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -25.181 -3.123 8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -24.482 -4.695 8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -25.372 -4.587 10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -26.074 -3.018 10.570 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -27.513 -3.994 8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -26.742 -5.556 8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -27.762 -4.434 11.550 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -29.024 -4.714 10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -28.548 -6.684 11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -28.286 -6.988 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -26.966 -6.733 11.136 1.00 0.00 H new ATOM 139 N ASN A 17 -22.813 -4.216 11.630 1.00 0.00 N ATOM 140 CA ASN A 17 -22.013 -5.218 12.392 1.00 0.00 C ATOM 141 C ASN A 17 -20.534 -5.080 12.027 1.00 0.00 C ATOM 142 O ASN A 17 -19.790 -6.040 12.039 1.00 0.00 O ATOM 143 CB ASN A 17 -22.497 -6.626 12.043 1.00 0.00 C ATOM 144 CG ASN A 17 -24.002 -6.725 12.300 1.00 0.00 C ATOM 145 OD1 ASN A 17 -24.720 -7.344 11.541 1.00 0.00 O ATOM 146 ND2 ASN A 17 -24.513 -6.135 13.346 1.00 0.00 N ATOM 0 H ASN A 17 -23.449 -3.650 12.192 1.00 0.00 H new ATOM 0 HA ASN A 17 -22.138 -5.044 13.461 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -22.280 -6.848 10.998 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.965 -7.364 12.643 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -25.515 -6.194 13.526 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -23.910 -5.615 13.984 1.00 0.00 H new ATOM 147 N GLY A 18 -20.101 -3.893 11.701 1.00 0.00 N ATOM 148 CA GLY A 18 -18.671 -3.697 11.335 1.00 0.00 C ATOM 149 C GLY A 18 -18.423 -4.280 9.944 1.00 0.00 C ATOM 150 O GLY A 18 -17.302 -4.561 9.566 1.00 0.00 O ATOM 0 H GLY A 18 -20.676 -3.051 11.672 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.422 -2.636 11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.026 -4.184 12.067 1.00 0.00 H new ATOM 151 N LYS A 19 -19.462 -4.466 9.180 1.00 0.00 N ATOM 152 CA LYS A 19 -19.295 -5.031 7.814 1.00 0.00 C ATOM 153 C LYS A 19 -19.855 -4.045 6.787 1.00 0.00 C ATOM 154 O LYS A 19 -20.890 -3.443 6.993 1.00 0.00 O ATOM 155 CB LYS A 19 -20.056 -6.351 7.716 1.00 0.00 C ATOM 156 CG LYS A 19 -19.655 -7.076 6.429 1.00 0.00 C ATOM 157 CD LYS A 19 -20.911 -7.441 5.635 1.00 0.00 C ATOM 158 CE LYS A 19 -20.612 -8.637 4.727 1.00 0.00 C ATOM 159 NZ LYS A 19 -21.035 -9.893 5.407 1.00 0.00 N ATOM 0 H LYS A 19 -20.423 -4.250 9.444 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.237 -5.204 7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.836 -6.975 8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.130 -6.165 7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.005 -6.440 5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.089 -7.976 6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.727 -7.683 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.236 -6.590 5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -21.139 -8.529 3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.547 -8.676 4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.832 -10.706 4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.513 -9.997 6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -22.055 -9.854 5.605 1.00 0.00 H new ATOM 160 N LEU A 20 -19.184 -3.875 5.683 1.00 0.00 N ATOM 161 CA LEU A 20 -19.683 -2.930 4.649 1.00 0.00 C ATOM 162 C LEU A 20 -20.593 -3.674 3.671 1.00 0.00 C ATOM 163 O LEU A 20 -20.223 -4.685 3.110 1.00 0.00 O ATOM 164 CB LEU A 20 -18.497 -2.333 3.886 1.00 0.00 C ATOM 165 CG LEU A 20 -19.007 -1.588 2.649 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.757 -0.328 3.084 1.00 0.00 C ATOM 167 CD2 LEU A 20 -17.826 -1.190 1.765 1.00 0.00 C ATOM 0 H LEU A 20 -18.311 -4.350 5.453 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.245 -2.131 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.942 -1.651 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.807 -3.123 3.589 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.678 -2.240 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.120 0.202 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.602 -0.607 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.084 0.320 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.192 -0.660 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.154 -0.541 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.288 -2.085 1.452 1.00 0.00 H new ATOM 168 N PHE A 21 -21.779 -3.178 3.459 1.00 0.00 N ATOM 169 CA PHE A 21 -22.709 -3.855 2.513 1.00 0.00 C ATOM 170 C PHE A 21 -22.605 -3.179 1.145 1.00 0.00 C ATOM 171 O PHE A 21 -22.791 -1.986 1.018 1.00 0.00 O ATOM 172 CB PHE A 21 -24.143 -3.735 3.033 1.00 0.00 C ATOM 173 CG PHE A 21 -24.345 -4.688 4.187 1.00 0.00 C ATOM 174 CD1 PHE A 21 -23.599 -4.534 5.362 1.00 0.00 C ATOM 175 CD2 PHE A 21 -25.282 -5.721 4.084 1.00 0.00 C ATOM 176 CE1 PHE A 21 -23.790 -5.414 6.433 1.00 0.00 C ATOM 177 CE2 PHE A 21 -25.474 -6.603 5.154 1.00 0.00 C ATOM 178 CZ PHE A 21 -24.728 -6.449 6.330 1.00 0.00 C ATOM 0 H PHE A 21 -22.145 -2.334 3.899 1.00 0.00 H new ATOM 0 HA PHE A 21 -22.444 -4.909 2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.340 -2.712 3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -24.850 -3.960 2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -22.876 -3.736 5.442 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -25.858 -5.838 3.178 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -23.214 -5.295 7.339 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -26.197 -7.402 5.073 1.00 0.00 H new ATOM 0 HZ PHE A 21 -24.876 -7.128 7.157 1.00 0.00 H new ATOM 179 N CYS A 22 -22.309 -3.929 0.119 1.00 0.00 N ATOM 180 CA CYS A 22 -22.194 -3.318 -1.237 1.00 0.00 C ATOM 181 C CYS A 22 -23.419 -3.684 -2.083 1.00 0.00 C ATOM 182 O CYS A 22 -23.316 -4.405 -3.056 1.00 0.00 O ATOM 183 CB CYS A 22 -20.930 -3.840 -1.924 1.00 0.00 C ATOM 184 SG CYS A 22 -19.990 -2.446 -2.595 1.00 0.00 S ATOM 0 H CYS A 22 -22.142 -4.934 0.160 1.00 0.00 H new ATOM 0 HA CYS A 22 -22.139 -2.234 -1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.319 -4.396 -1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -21.197 -4.531 -2.723 1.00 0.00 H new ATOM 185 N PRO A 23 -24.601 -3.167 -1.706 1.00 0.00 N ATOM 186 CA PRO A 23 -25.850 -3.431 -2.434 1.00 0.00 C ATOM 187 C PRO A 23 -25.871 -2.730 -3.794 1.00 0.00 C ATOM 188 O PRO A 23 -26.781 -2.904 -4.580 1.00 0.00 O ATOM 189 CB PRO A 23 -26.925 -2.827 -1.530 1.00 0.00 C ATOM 190 CG PRO A 23 -26.210 -1.776 -0.751 1.00 0.00 C ATOM 191 CD PRO A 23 -24.814 -2.288 -0.543 1.00 0.00 C ATOM 0 HA PRO A 23 -25.987 -4.493 -2.637 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.742 -2.402 -2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -27.361 -3.580 -0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -26.201 -0.829 -1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.705 -1.594 0.203 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -24.087 -1.476 -0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.721 -2.833 0.396 1.00 0.00 H new ATOM 192 N GLN A 24 -24.876 -1.933 -4.074 1.00 0.00 N ATOM 193 CA GLN A 24 -24.838 -1.214 -5.380 1.00 0.00 C ATOM 194 C GLN A 24 -25.808 -0.031 -5.334 1.00 0.00 C ATOM 195 O GLN A 24 -27.001 -0.187 -5.505 1.00 0.00 O ATOM 196 CB GLN A 24 -25.248 -2.168 -6.503 1.00 0.00 C ATOM 197 CG GLN A 24 -24.730 -1.633 -7.840 1.00 0.00 C ATOM 198 CD GLN A 24 -25.166 -2.571 -8.967 1.00 0.00 C ATOM 199 OE1 GLN A 24 -25.576 -3.688 -8.720 1.00 0.00 O ATOM 200 NE2 GLN A 24 -25.096 -2.160 -10.205 1.00 0.00 N ATOM 0 H GLN A 24 -24.087 -1.748 -3.454 1.00 0.00 H new ATOM 0 HA GLN A 24 -23.827 -0.851 -5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -24.844 -3.163 -6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -26.333 -2.266 -6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -25.117 -0.630 -8.017 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -23.643 -1.556 -7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -24.752 -1.222 -10.412 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -25.385 -2.777 -10.964 1.00 0.00 H new ATOM 201 N ASP A 25 -25.306 1.151 -5.103 1.00 0.00 N ATOM 202 CA ASP A 25 -26.201 2.342 -5.043 1.00 0.00 C ATOM 203 C ASP A 25 -26.890 2.532 -6.395 1.00 0.00 C ATOM 204 O ASP A 25 -26.339 2.224 -7.433 1.00 0.00 O ATOM 205 CB ASP A 25 -25.375 3.586 -4.714 1.00 0.00 C ATOM 206 CG ASP A 25 -24.760 3.435 -3.321 1.00 0.00 C ATOM 207 OD1 ASP A 25 -25.208 2.567 -2.589 1.00 0.00 O ATOM 208 OD2 ASP A 25 -23.852 4.188 -3.010 1.00 0.00 O ATOM 0 H ASP A 25 -24.316 1.344 -4.953 1.00 0.00 H new ATOM 0 HA ASP A 25 -26.954 2.190 -4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -24.589 3.721 -5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.005 4.475 -4.751 1.00 0.00 H new ATOM 209 N LYS A 26 -28.094 3.037 -6.392 1.00 0.00 N ATOM 210 CA LYS A 26 -28.817 3.246 -7.677 1.00 0.00 C ATOM 211 C LYS A 26 -27.964 4.113 -8.604 1.00 0.00 C ATOM 212 O LYS A 26 -27.925 3.910 -9.801 1.00 0.00 O ATOM 213 CB LYS A 26 -30.149 3.949 -7.407 1.00 0.00 C ATOM 214 CG LYS A 26 -31.027 3.057 -6.524 1.00 0.00 C ATOM 215 CD LYS A 26 -32.382 3.733 -6.305 1.00 0.00 C ATOM 216 CE LYS A 26 -33.225 2.887 -5.349 1.00 0.00 C ATOM 217 NZ LYS A 26 -32.856 3.210 -3.942 1.00 0.00 N ATOM 0 H LYS A 26 -28.607 3.313 -5.555 1.00 0.00 H new ATOM 0 HA LYS A 26 -29.005 2.281 -8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.974 4.906 -6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.658 4.162 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -31.166 2.084 -6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.538 2.880 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -32.240 4.732 -5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -32.900 3.850 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -34.285 3.082 -5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -33.062 1.827 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -33.429 2.635 -3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -31.848 3.002 -3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -33.033 4.218 -3.759 1.00 0.00 H new ATOM 218 N LYS A 27 -27.279 5.078 -8.057 1.00 0.00 N ATOM 219 CA LYS A 27 -26.424 5.958 -8.902 1.00 0.00 C ATOM 220 C LYS A 27 -24.956 5.569 -8.717 1.00 0.00 C ATOM 221 O LYS A 27 -24.277 6.074 -7.846 1.00 0.00 O ATOM 222 CB LYS A 27 -26.623 7.417 -8.486 1.00 0.00 C ATOM 223 CG LYS A 27 -26.447 8.325 -9.706 1.00 0.00 C ATOM 224 CD LYS A 27 -27.387 9.526 -9.589 1.00 0.00 C ATOM 225 CE LYS A 27 -27.666 10.091 -10.983 1.00 0.00 C ATOM 226 NZ LYS A 27 -28.143 11.498 -10.861 1.00 0.00 N ATOM 0 H LYS A 27 -27.274 5.296 -7.061 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.703 5.840 -9.949 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -27.617 7.552 -8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -25.904 7.687 -7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -25.413 8.664 -9.774 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -26.661 7.770 -10.619 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -28.320 9.226 -9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.939 10.293 -8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -26.762 10.053 -11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -28.416 9.484 -11.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -28.333 11.883 -11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -29.016 11.521 -10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -27.413 12.073 -10.393 1.00 0.00 H new ATOM 227 N PRO A 28 -24.463 4.648 -9.557 1.00 0.00 N ATOM 228 CA PRO A 28 -23.073 4.178 -9.495 1.00 0.00 C ATOM 229 C PRO A 28 -22.082 5.272 -9.902 1.00 0.00 C ATOM 230 O PRO A 28 -22.371 6.108 -10.734 1.00 0.00 O ATOM 231 CB PRO A 28 -23.038 3.033 -10.508 1.00 0.00 C ATOM 232 CG PRO A 28 -24.147 3.340 -11.457 1.00 0.00 C ATOM 233 CD PRO A 28 -25.222 3.992 -10.636 1.00 0.00 C ATOM 0 HA PRO A 28 -22.786 3.881 -8.486 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -22.078 2.987 -11.021 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -23.187 2.069 -10.022 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.808 4.002 -12.253 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -24.516 2.432 -11.934 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.796 4.711 -11.220 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.930 3.261 -10.245 1.00 0.00 H new ATOM 234 N ILE A 29 -20.914 5.270 -9.319 1.00 0.00 N ATOM 235 CA ILE A 29 -19.902 6.306 -9.668 1.00 0.00 C ATOM 236 C ILE A 29 -18.628 5.620 -10.165 1.00 0.00 C ATOM 237 O ILE A 29 -18.227 4.591 -9.660 1.00 0.00 O ATOM 238 CB ILE A 29 -19.587 7.143 -8.423 1.00 0.00 C ATOM 239 CG1 ILE A 29 -18.816 8.403 -8.831 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.746 6.317 -7.446 1.00 0.00 C ATOM 241 CD1 ILE A 29 -17.406 8.027 -9.297 1.00 0.00 C ATOM 0 H ILE A 29 -20.617 4.594 -8.615 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.292 6.955 -10.452 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.519 7.433 -7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -19.346 8.921 -9.630 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.758 9.092 -7.989 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.524 6.915 -6.562 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.301 5.426 -7.152 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.814 6.021 -7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -16.865 8.929 -9.585 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -16.875 7.529 -8.485 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -17.473 7.355 -10.153 1.00 0.00 H new ATOM 242 N GLN A 30 -17.979 6.183 -11.147 1.00 0.00 N ATOM 243 CA GLN A 30 -16.734 5.551 -11.664 1.00 0.00 C ATOM 244 C GLN A 30 -15.580 5.896 -10.728 1.00 0.00 C ATOM 245 O GLN A 30 -15.280 7.048 -10.485 1.00 0.00 O ATOM 246 CB GLN A 30 -16.433 6.082 -13.068 1.00 0.00 C ATOM 247 CG GLN A 30 -15.129 5.463 -13.578 1.00 0.00 C ATOM 248 CD GLN A 30 -14.877 5.918 -15.018 1.00 0.00 C ATOM 249 OE1 GLN A 30 -15.650 6.670 -15.574 1.00 0.00 O ATOM 250 NE2 GLN A 30 -13.817 5.489 -15.648 1.00 0.00 N ATOM 0 H GLN A 30 -18.255 7.048 -11.611 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.861 4.469 -11.711 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -17.253 5.839 -13.744 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -16.349 7.169 -13.047 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -14.298 5.763 -12.940 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.189 4.376 -13.534 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -13.167 4.857 -15.181 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.639 5.786 -16.607 1.00 0.00 H new ATOM 251 N SER A 31 -14.945 4.897 -10.186 1.00 0.00 N ATOM 252 CA SER A 31 -13.822 5.141 -9.243 1.00 0.00 C ATOM 253 C SER A 31 -12.543 5.467 -10.019 1.00 0.00 C ATOM 254 O SER A 31 -12.519 5.456 -11.233 1.00 0.00 O ATOM 255 CB SER A 31 -13.605 3.885 -8.401 1.00 0.00 C ATOM 256 OG SER A 31 -12.665 3.039 -9.047 1.00 0.00 O ATOM 0 H SER A 31 -15.158 3.914 -10.358 1.00 0.00 H new ATOM 0 HA SER A 31 -14.064 5.986 -8.598 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.244 4.157 -7.409 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.550 3.359 -8.263 1.00 0.00 H new ATOM 0 HG SER A 31 -13.055 2.689 -9.875 1.00 0.00 H new ATOM 257 N LEU A 32 -11.482 5.762 -9.319 1.00 0.00 N ATOM 258 CA LEU A 32 -10.200 6.097 -10.002 1.00 0.00 C ATOM 259 C LEU A 32 -9.161 5.013 -9.707 1.00 0.00 C ATOM 260 O LEU A 32 -8.053 5.052 -10.204 1.00 0.00 O ATOM 261 CB LEU A 32 -9.686 7.446 -9.488 1.00 0.00 C ATOM 262 CG LEU A 32 -10.117 7.640 -8.031 1.00 0.00 C ATOM 263 CD1 LEU A 32 -9.500 6.540 -7.165 1.00 0.00 C ATOM 264 CD2 LEU A 32 -9.641 9.005 -7.533 1.00 0.00 C ATOM 0 H LEU A 32 -11.448 5.786 -8.300 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.368 6.155 -11.077 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.599 7.485 -9.564 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.078 8.255 -10.104 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.204 7.589 -7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.807 6.678 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.840 5.566 -7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.413 6.591 -7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.948 9.142 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.554 9.058 -7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.080 9.790 -8.148 1.00 0.00 H new ATOM 265 N ASP A 33 -9.509 4.045 -8.904 1.00 0.00 N ATOM 266 CA ASP A 33 -8.536 2.963 -8.580 1.00 0.00 C ATOM 267 C ASP A 33 -8.521 1.932 -9.711 1.00 0.00 C ATOM 268 O ASP A 33 -7.912 0.886 -9.601 1.00 0.00 O ATOM 269 CB ASP A 33 -8.956 2.278 -7.280 1.00 0.00 C ATOM 270 CG ASP A 33 -8.564 3.158 -6.091 1.00 0.00 C ATOM 271 OD1 ASP A 33 -7.958 4.192 -6.319 1.00 0.00 O ATOM 272 OD2 ASP A 33 -8.878 2.784 -4.973 1.00 0.00 O ATOM 0 H ASP A 33 -10.423 3.956 -8.459 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.541 3.393 -8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.032 2.105 -7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.476 1.303 -7.199 1.00 0.00 H new ATOM 273 N GLY A 34 -9.187 2.215 -10.797 1.00 0.00 N ATOM 274 CA GLY A 34 -9.211 1.247 -11.928 1.00 0.00 C ATOM 275 C GLY A 34 -10.398 0.297 -11.757 1.00 0.00 C ATOM 276 O GLY A 34 -10.581 -0.628 -12.524 1.00 0.00 O ATOM 0 H GLY A 34 -9.715 3.074 -10.949 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.291 1.780 -12.876 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.280 0.682 -11.957 1.00 0.00 H new ATOM 277 N ILE A 35 -11.209 0.518 -10.759 1.00 0.00 N ATOM 278 CA ILE A 35 -12.384 -0.371 -10.544 1.00 0.00 C ATOM 279 C ILE A 35 -13.662 0.382 -10.921 1.00 0.00 C ATOM 280 O ILE A 35 -13.719 1.594 -10.859 1.00 0.00 O ATOM 281 CB ILE A 35 -12.449 -0.789 -9.073 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.148 -1.498 -8.687 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.628 -1.741 -8.865 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.039 -1.569 -7.162 1.00 0.00 C ATOM 0 H ILE A 35 -11.108 1.276 -10.084 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.288 -1.261 -11.166 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.581 0.095 -8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.129 -2.502 -9.111 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.293 -0.962 -9.099 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.675 -2.039 -7.818 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.555 -1.238 -9.141 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.496 -2.625 -9.488 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.113 -2.074 -6.887 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.039 -0.560 -6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.888 -2.124 -6.762 1.00 0.00 H new ATOM 285 N MET A 36 -14.684 -0.324 -11.318 1.00 0.00 N ATOM 286 CA MET A 36 -15.950 0.357 -11.706 1.00 0.00 C ATOM 287 C MET A 36 -16.893 0.435 -10.502 1.00 0.00 C ATOM 288 O MET A 36 -17.515 -0.536 -10.129 1.00 0.00 O ATOM 289 CB MET A 36 -16.621 -0.428 -12.835 1.00 0.00 C ATOM 290 CG MET A 36 -15.661 -0.532 -14.020 1.00 0.00 C ATOM 291 SD MET A 36 -16.533 -1.232 -15.444 1.00 0.00 S ATOM 292 CE MET A 36 -16.884 -2.854 -14.722 1.00 0.00 C ATOM 0 H MET A 36 -14.697 -1.341 -11.390 1.00 0.00 H new ATOM 0 HA MET A 36 -15.726 1.368 -12.046 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.896 -1.424 -12.487 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.542 0.069 -13.141 1.00 0.00 H new ATOM 0 HG2 MET A 36 -15.267 0.453 -14.270 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.809 -1.159 -13.758 1.00 0.00 H new ATOM 0 HE1 MET A 36 -16.815 -3.619 -15.495 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.160 -3.066 -13.935 1.00 0.00 H new ATOM 0 HE3 MET A 36 -17.889 -2.855 -14.300 1.00 0.00 H new ATOM 293 N PHE A 37 -16.999 1.594 -9.904 1.00 0.00 N ATOM 294 CA PHE A 37 -17.902 1.778 -8.724 1.00 0.00 C ATOM 295 C PHE A 37 -17.454 0.901 -7.549 1.00 0.00 C ATOM 296 O PHE A 37 -17.183 1.386 -6.468 1.00 0.00 O ATOM 297 CB PHE A 37 -19.349 1.420 -9.089 1.00 0.00 C ATOM 298 CG PHE A 37 -19.567 1.504 -10.584 1.00 0.00 C ATOM 299 CD1 PHE A 37 -19.761 2.747 -11.195 1.00 0.00 C ATOM 300 CD2 PHE A 37 -19.579 0.338 -11.359 1.00 0.00 C ATOM 301 CE1 PHE A 37 -19.962 2.829 -12.575 1.00 0.00 C ATOM 302 CE2 PHE A 37 -19.781 0.418 -12.742 1.00 0.00 C ATOM 303 CZ PHE A 37 -19.971 1.664 -13.351 1.00 0.00 C ATOM 0 H PHE A 37 -16.492 2.433 -10.186 1.00 0.00 H new ATOM 0 HA PHE A 37 -17.848 2.826 -8.431 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -19.577 0.413 -8.741 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -20.035 2.097 -8.579 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -19.755 3.647 -10.598 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -19.432 -0.624 -10.890 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -20.110 3.791 -13.043 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -19.790 -0.482 -13.339 1.00 0.00 H new ATOM 0 HZ PHE A 37 -20.124 1.726 -14.418 1.00 0.00 H new ATOM 304 N ILE A 38 -17.401 -0.386 -7.745 1.00 0.00 N ATOM 305 CA ILE A 38 -17.000 -1.310 -6.640 1.00 0.00 C ATOM 306 C ILE A 38 -15.853 -0.706 -5.826 1.00 0.00 C ATOM 307 O ILE A 38 -15.697 -0.994 -4.656 1.00 0.00 O ATOM 308 CB ILE A 38 -16.549 -2.647 -7.233 1.00 0.00 C ATOM 309 CG1 ILE A 38 -17.716 -3.296 -7.977 1.00 0.00 C ATOM 310 CG2 ILE A 38 -16.088 -3.573 -6.106 1.00 0.00 C ATOM 311 CD1 ILE A 38 -17.230 -4.575 -8.664 1.00 0.00 C ATOM 0 H ILE A 38 -17.620 -0.844 -8.630 1.00 0.00 H new ATOM 0 HA ILE A 38 -17.856 -1.463 -5.983 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.726 -2.477 -7.927 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -18.522 -3.527 -7.281 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -18.121 -2.604 -8.716 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -15.766 -4.526 -6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -15.256 -3.112 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -16.913 -3.742 -5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -18.060 -5.040 -9.196 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -16.438 -4.330 -9.371 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.846 -5.267 -7.915 1.00 0.00 H new ATOM 312 N ASN A 39 -15.046 0.124 -6.426 1.00 0.00 N ATOM 313 CA ASN A 39 -13.918 0.729 -5.666 1.00 0.00 C ATOM 314 C ASN A 39 -14.436 1.293 -4.344 1.00 0.00 C ATOM 315 O ASN A 39 -13.850 1.088 -3.302 1.00 0.00 O ATOM 316 CB ASN A 39 -13.295 1.864 -6.477 1.00 0.00 C ATOM 317 CG ASN A 39 -11.913 2.192 -5.908 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.115 1.307 -5.678 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.595 3.435 -5.667 1.00 0.00 N ATOM 0 H ASN A 39 -15.118 0.408 -7.403 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.168 -0.039 -5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.210 1.574 -7.524 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.935 2.746 -6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.677 3.662 -5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.265 4.179 -5.860 1.00 0.00 H new ATOM 320 N LYS A 40 -15.525 2.010 -4.380 1.00 0.00 N ATOM 321 CA LYS A 40 -16.076 2.596 -3.127 1.00 0.00 C ATOM 322 C LYS A 40 -16.004 1.570 -1.997 1.00 0.00 C ATOM 323 O LYS A 40 -15.554 1.865 -0.909 1.00 0.00 O ATOM 324 CB LYS A 40 -17.529 3.012 -3.357 1.00 0.00 C ATOM 325 CG LYS A 40 -17.569 4.186 -4.336 1.00 0.00 C ATOM 326 CD LYS A 40 -18.964 4.812 -4.325 1.00 0.00 C ATOM 327 CE LYS A 40 -19.995 3.768 -4.759 1.00 0.00 C ATOM 328 NZ LYS A 40 -19.524 3.091 -6.001 1.00 0.00 N ATOM 0 H LYS A 40 -16.058 2.215 -5.225 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.488 3.470 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.101 2.173 -3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.992 3.296 -2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.823 4.930 -4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.320 3.844 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.201 5.180 -3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.995 5.670 -4.997 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.142 3.035 -3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.959 4.245 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.344 2.809 -6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.927 3.744 -6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.972 2.247 -5.748 1.00 0.00 H new ATOM 329 N CYS A 41 -16.440 0.369 -2.243 1.00 0.00 N ATOM 330 CA CYS A 41 -16.392 -0.671 -1.177 1.00 0.00 C ATOM 331 C CYS A 41 -14.937 -1.074 -0.925 1.00 0.00 C ATOM 332 O CYS A 41 -14.538 -1.331 0.194 1.00 0.00 O ATOM 333 CB CYS A 41 -17.181 -1.904 -1.624 1.00 0.00 C ATOM 334 SG CYS A 41 -18.886 -1.794 -1.033 1.00 0.00 S ATOM 0 H CYS A 41 -16.828 0.061 -3.135 1.00 0.00 H new ATOM 0 HA CYS A 41 -16.829 -0.269 -0.263 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -17.168 -1.980 -2.711 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.710 -2.807 -1.236 1.00 0.00 H new ATOM 335 N ALA A 42 -14.144 -1.140 -1.959 1.00 0.00 N ATOM 336 CA ALA A 42 -12.717 -1.535 -1.787 1.00 0.00 C ATOM 337 C ALA A 42 -11.920 -0.372 -1.194 1.00 0.00 C ATOM 338 O ALA A 42 -10.906 -0.566 -0.553 1.00 0.00 O ATOM 339 CB ALA A 42 -12.129 -1.910 -3.147 1.00 0.00 C ATOM 0 H ALA A 42 -14.424 -0.937 -2.919 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.661 -2.388 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.085 -2.199 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.690 -2.744 -3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.192 -1.054 -3.819 1.00 0.00 H new ATOM 340 N THR A 43 -12.365 0.835 -1.404 1.00 0.00 N ATOM 341 CA THR A 43 -11.627 2.005 -0.852 1.00 0.00 C ATOM 342 C THR A 43 -12.311 2.475 0.430 1.00 0.00 C ATOM 343 O THR A 43 -11.666 2.886 1.375 1.00 0.00 O ATOM 344 CB THR A 43 -11.634 3.142 -1.878 1.00 0.00 C ATOM 345 OG1 THR A 43 -12.910 3.208 -2.499 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.560 2.882 -2.935 1.00 0.00 C ATOM 0 H THR A 43 -13.207 1.062 -1.933 1.00 0.00 H new ATOM 0 HA THR A 43 -10.598 1.718 -0.634 1.00 0.00 H new ATOM 0 HB THR A 43 -11.425 4.087 -1.377 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.955 2.550 -3.224 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.565 3.691 -3.665 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.582 2.832 -2.456 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.766 1.938 -3.439 1.00 0.00 H new ATOM 347 N CYS A 44 -13.614 2.421 0.470 1.00 0.00 N ATOM 348 CA CYS A 44 -14.335 2.868 1.691 1.00 0.00 C ATOM 349 C CYS A 44 -14.011 1.929 2.850 1.00 0.00 C ATOM 350 O CYS A 44 -13.925 2.342 3.982 1.00 0.00 O ATOM 351 CB CYS A 44 -15.845 2.852 1.443 1.00 0.00 C ATOM 352 SG CYS A 44 -16.705 3.379 2.946 1.00 0.00 S ATOM 0 H CYS A 44 -14.208 2.087 -0.289 1.00 0.00 H new ATOM 0 HA CYS A 44 -14.018 3.882 1.936 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.096 3.515 0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.168 1.851 1.158 1.00 0.00 H new ATOM 353 N LYS A 45 -13.840 0.666 2.582 1.00 0.00 N ATOM 354 CA LYS A 45 -13.532 -0.288 3.683 1.00 0.00 C ATOM 355 C LYS A 45 -12.331 0.216 4.486 1.00 0.00 C ATOM 356 O LYS A 45 -12.370 0.282 5.699 1.00 0.00 O ATOM 357 CB LYS A 45 -13.215 -1.661 3.088 1.00 0.00 C ATOM 358 CG LYS A 45 -13.350 -2.735 4.168 1.00 0.00 C ATOM 359 CD LYS A 45 -12.897 -4.082 3.603 1.00 0.00 C ATOM 360 CE LYS A 45 -12.944 -5.142 4.705 1.00 0.00 C ATOM 361 NZ LYS A 45 -12.084 -6.295 4.320 1.00 0.00 N ATOM 0 H LYS A 45 -13.900 0.253 1.651 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.394 -0.368 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.893 -1.875 2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.204 -1.667 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.747 -2.471 5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.384 -2.799 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.541 -4.376 2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.885 -4.000 3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.601 -4.717 5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.970 -5.475 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.115 -7.016 5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.431 -6.705 3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.104 -5.970 4.193 1.00 0.00 H new ATOM 362 N MET A 46 -11.266 0.578 3.827 1.00 0.00 N ATOM 363 CA MET A 46 -10.074 1.079 4.566 1.00 0.00 C ATOM 364 C MET A 46 -10.391 2.457 5.147 1.00 0.00 C ATOM 365 O MET A 46 -10.099 2.742 6.292 1.00 0.00 O ATOM 366 CB MET A 46 -8.882 1.189 3.610 1.00 0.00 C ATOM 367 CG MET A 46 -8.508 -0.203 3.093 1.00 0.00 C ATOM 368 SD MET A 46 -8.228 -1.316 4.494 1.00 0.00 S ATOM 369 CE MET A 46 -6.737 -0.513 5.130 1.00 0.00 C ATOM 0 H MET A 46 -11.169 0.549 2.812 1.00 0.00 H new ATOM 0 HA MET A 46 -9.824 0.387 5.370 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.132 1.843 2.775 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.032 1.638 4.123 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.305 -0.593 2.459 1.00 0.00 H new ATOM 0 HG3 MET A 46 -7.611 -0.144 2.477 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.163 -1.227 5.720 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.130 -0.160 4.296 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.019 0.333 5.757 1.00 0.00 H new ATOM 370 N ILE A 47 -10.997 3.310 4.369 1.00 0.00 N ATOM 371 CA ILE A 47 -11.344 4.666 4.877 1.00 0.00 C ATOM 372 C ILE A 47 -12.506 4.549 5.868 1.00 0.00 C ATOM 373 O ILE A 47 -12.844 5.490 6.557 1.00 0.00 O ATOM 374 CB ILE A 47 -11.755 5.558 3.703 1.00 0.00 C ATOM 375 CG1 ILE A 47 -10.668 5.518 2.626 1.00 0.00 C ATOM 376 CG2 ILE A 47 -11.936 6.997 4.190 1.00 0.00 C ATOM 377 CD1 ILE A 47 -11.185 6.193 1.355 1.00 0.00 C ATOM 0 H ILE A 47 -11.267 3.126 3.403 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.481 5.105 5.378 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.695 5.196 3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.771 6.025 2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.388 4.486 2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.229 7.630 3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.711 7.027 4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.998 7.360 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.411 6.165 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.070 5.666 0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.443 7.230 1.573 1.00 0.00 H new ATOM 378 N LEU A 48 -13.116 3.397 5.944 1.00 0.00 N ATOM 379 CA LEU A 48 -14.253 3.210 6.886 1.00 0.00 C ATOM 380 C LEU A 48 -13.696 2.996 8.293 1.00 0.00 C ATOM 381 O LEU A 48 -14.283 3.408 9.274 1.00 0.00 O ATOM 382 CB LEU A 48 -15.069 1.985 6.459 1.00 0.00 C ATOM 383 CG LEU A 48 -16.299 1.842 7.357 1.00 0.00 C ATOM 384 CD1 LEU A 48 -17.425 2.731 6.823 1.00 0.00 C ATOM 385 CD2 LEU A 48 -16.762 0.386 7.356 1.00 0.00 C ATOM 0 H LEU A 48 -12.873 2.575 5.391 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.897 4.089 6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.377 2.087 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.454 1.087 6.523 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.045 2.144 8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.302 2.630 7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.097 3.770 6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.679 2.426 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.639 0.282 7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.017 0.086 6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.961 -0.251 7.732 1.00 0.00 H new ATOM 386 N GLU A 49 -12.561 2.362 8.398 1.00 0.00 N ATOM 387 CA GLU A 49 -11.961 2.132 9.741 1.00 0.00 C ATOM 388 C GLU A 49 -11.611 3.482 10.367 1.00 0.00 C ATOM 389 O GLU A 49 -11.585 3.634 11.572 1.00 0.00 O ATOM 390 CB GLU A 49 -10.693 1.288 9.600 1.00 0.00 C ATOM 391 CG GLU A 49 -11.050 -0.073 9.001 1.00 0.00 C ATOM 392 CD GLU A 49 -9.784 -0.920 8.864 1.00 0.00 C ATOM 393 OE1 GLU A 49 -8.707 -0.373 9.036 1.00 0.00 O ATOM 394 OE2 GLU A 49 -9.912 -2.102 8.591 1.00 0.00 O ATOM 0 H GLU A 49 -12.024 1.994 7.613 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.672 1.604 10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.972 1.800 8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.221 1.156 10.574 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.774 -0.583 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.519 0.059 8.026 1.00 0.00 H new ATOM 395 N LYS A 50 -11.349 4.469 9.553 1.00 0.00 N ATOM 396 CA LYS A 50 -11.006 5.814 10.094 1.00 0.00 C ATOM 397 C LYS A 50 -12.207 6.364 10.864 1.00 0.00 C ATOM 398 O LYS A 50 -12.063 6.993 11.894 1.00 0.00 O ATOM 399 CB LYS A 50 -10.665 6.756 8.938 1.00 0.00 C ATOM 400 CG LYS A 50 -10.212 8.108 9.495 1.00 0.00 C ATOM 401 CD LYS A 50 -9.960 9.076 8.337 1.00 0.00 C ATOM 402 CE LYS A 50 -9.310 10.354 8.873 1.00 0.00 C ATOM 403 NZ LYS A 50 -8.399 10.920 7.838 1.00 0.00 N ATOM 0 H LYS A 50 -11.358 4.401 8.535 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.147 5.735 10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.877 6.322 8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.535 6.889 8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.973 8.512 10.162 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.304 7.985 10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.313 8.610 7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.899 9.315 7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.077 11.083 9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.752 10.137 9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.957 11.788 8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.660 10.225 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.943 11.142 6.980 1.00 0.00 H new ATOM 404 N GLU A 51 -13.394 6.128 10.375 1.00 0.00 N ATOM 405 CA GLU A 51 -14.605 6.633 11.079 1.00 0.00 C ATOM 406 C GLU A 51 -14.608 6.106 12.515 1.00 0.00 C ATOM 407 O GLU A 51 -15.048 6.772 13.431 1.00 0.00 O ATOM 408 CB GLU A 51 -15.860 6.142 10.353 1.00 0.00 C ATOM 409 CG GLU A 51 -17.100 6.747 11.011 1.00 0.00 C ATOM 410 CD GLU A 51 -18.357 6.168 10.358 1.00 0.00 C ATOM 411 OE1 GLU A 51 -18.214 5.330 9.483 1.00 0.00 O ATOM 412 OE2 GLU A 51 -19.441 6.573 10.744 1.00 0.00 O ATOM 0 H GLU A 51 -13.577 5.607 9.518 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.596 7.723 11.088 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.819 6.425 9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.911 5.054 10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.100 6.531 12.079 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -17.089 7.832 10.905 1.00 0.00 H new ATOM 413 N ALA A 52 -14.114 4.915 12.718 1.00 0.00 N ATOM 414 CA ALA A 52 -14.083 4.346 14.095 1.00 0.00 C ATOM 415 C ALA A 52 -13.222 5.239 14.990 1.00 0.00 C ATOM 416 O ALA A 52 -13.418 5.307 16.188 1.00 0.00 O ATOM 417 CB ALA A 52 -13.487 2.938 14.052 1.00 0.00 C ATOM 0 H ALA A 52 -13.731 4.312 11.990 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.096 4.297 14.494 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.464 2.522 15.059 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.099 2.303 13.411 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.473 2.984 13.655 1.00 0.00 H new ATOM 418 N LYS A 53 -12.273 5.927 14.418 1.00 0.00 N ATOM 419 CA LYS A 53 -11.402 6.817 15.235 1.00 0.00 C ATOM 420 C LYS A 53 -12.273 7.824 15.989 1.00 0.00 C ATOM 421 O LYS A 53 -11.969 8.213 17.099 1.00 0.00 O ATOM 422 CB LYS A 53 -10.434 7.567 14.316 1.00 0.00 C ATOM 423 CG LYS A 53 -9.501 6.567 13.632 1.00 0.00 C ATOM 424 CD LYS A 53 -8.467 7.324 12.796 1.00 0.00 C ATOM 425 CE LYS A 53 -7.611 6.324 12.016 1.00 0.00 C ATOM 426 NZ LYS A 53 -6.463 5.889 12.861 1.00 0.00 N ATOM 0 H LYS A 53 -12.063 5.911 13.420 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.835 6.219 15.948 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.990 8.132 13.568 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.853 8.287 14.892 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.000 5.951 14.379 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.076 5.893 12.996 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.968 8.005 12.108 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.835 7.933 13.443 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.212 5.461 11.728 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.247 6.781 11.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.880 5.209 12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.886 6.716 13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.821 5.438 13.727 1.00 0.00 H new ATOM 427 N SER A 54 -13.355 8.246 15.395 1.00 0.00 N ATOM 428 CA SER A 54 -14.245 9.226 16.079 1.00 0.00 C ATOM 429 C SER A 54 -14.694 8.652 17.423 1.00 0.00 C ATOM 430 O SER A 54 -14.871 9.367 18.388 1.00 0.00 O ATOM 431 CB SER A 54 -15.471 9.498 15.205 1.00 0.00 C ATOM 432 OG SER A 54 -15.050 9.901 13.910 1.00 0.00 O ATOM 0 H SER A 54 -13.661 7.955 14.467 1.00 0.00 H new ATOM 0 HA SER A 54 -13.703 10.157 16.244 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.088 8.602 15.136 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.088 10.275 15.657 1.00 0.00 H new ATOM 0 HG SER A 54 -14.927 9.110 13.345 1.00 0.00 H new ATOM 433 N GLN A 55 -14.877 7.362 17.492 1.00 0.00 N ATOM 434 CA GLN A 55 -15.313 6.736 18.772 1.00 0.00 C ATOM 435 C GLN A 55 -16.418 7.584 19.405 1.00 0.00 C ATOM 436 O GLN A 55 -17.336 7.956 18.692 1.00 0.00 O ATOM 437 CB GLN A 55 -14.123 6.649 19.728 1.00 0.00 C ATOM 438 CG GLN A 55 -13.060 5.722 19.135 1.00 0.00 C ATOM 439 CD GLN A 55 -11.836 5.697 20.052 1.00 0.00 C ATOM 440 OE1 GLN A 55 -11.669 6.564 20.886 1.00 0.00 O ATOM 441 NE2 GLN A 55 -10.965 4.732 19.930 1.00 0.00 N ATOM 442 OXT GLN A 55 -16.326 7.847 20.593 1.00 0.00 O ATOM 0 H GLN A 55 -14.743 6.714 16.716 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.694 5.734 18.575 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.704 7.641 19.895 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -14.449 6.273 20.698 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.463 4.716 19.021 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.776 6.066 18.141 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.105 4.004 19.230 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.144 4.706 20.535 1.00 0.00 H new TER 443 GLN A 55