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 Single : A 1 LYS N :NH3+ -176:sc= -0.36 (180deg=-0.501) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.9!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 7 MET CE :methyl -148:sc= -4.26! (180deg=-7.67!) USER MOD Single : A 9 HIS : no HD1:sc= -2.5! C(o=-2.5!,f=-5.2!) USER MOD Single : A 12 GLN : amide:sc= -2.9! C(o=-2.9!,f=-4.9!) USER MOD Single : A 15 MET CE :methyl 127:sc= -0.1 (180deg=-0.767) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc=-0.00103 K(o=-0.001,f=-1.6!) USER MOD Single : A 19 LYS NZ :NH3+ -160:sc= 0.0255 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.2!) 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=-1.3!) USER MOD Single : A 31 SER OG : rot 14:sc= -5.63! USER MOD Single : A 36 MET CE :methyl -156:sc= -0.34 (180deg=-1.98!) USER MOD Single : A 39 ASN : amide:sc= -7.09! C(o=-7.1!,f=-16!) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= -2.55 (180deg=-2.94) USER MOD Single : A 43 THR OG1 : rot -66:sc= 0.0925 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -153:sc= -0.399 (180deg=-2.25!) 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 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.802 12.767 -3.525 1.00 0.00 N ATOM 2 CA LYS A 1 -7.799 11.683 -3.300 1.00 0.00 C ATOM 3 C LYS A 1 -8.637 12.008 -2.060 1.00 0.00 C ATOM 4 O LYS A 1 -9.478 11.233 -1.649 1.00 0.00 O ATOM 5 CB LYS A 1 -7.069 10.355 -3.089 1.00 0.00 C ATOM 6 CG LYS A 1 -6.303 9.986 -4.360 1.00 0.00 C ATOM 7 CD LYS A 1 -5.663 8.607 -4.189 1.00 0.00 C ATOM 8 CE LYS A 1 -4.797 8.291 -5.410 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.802 7.240 -5.054 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.279 12.581 -4.404 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.294 13.680 -3.601 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.137 12.798 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.453 11.605 -4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.381 10.436 -2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.784 9.570 -2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.978 9.982 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.535 10.732 -4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.056 8.586 -3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.436 7.848 -4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.423 7.950 -6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.285 9.192 -5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.213 7.025 -5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.198 7.582 -4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.300 6.379 -4.750 1.00 0.00 H new ATOM 10 N ASN A 2 -8.416 13.147 -1.461 1.00 0.00 N ATOM 11 CA ASN A 2 -9.202 13.514 -0.250 1.00 0.00 C ATOM 12 C ASN A 2 -10.694 13.493 -0.586 1.00 0.00 C ATOM 13 O ASN A 2 -11.521 13.161 0.239 1.00 0.00 O ATOM 14 CB ASN A 2 -8.802 14.918 0.211 1.00 0.00 C ATOM 15 CG ASN A 2 -9.374 15.179 1.605 1.00 0.00 C ATOM 16 OD1 ASN A 2 -10.057 14.341 2.162 1.00 0.00 O ATOM 17 ND2 ASN A 2 -9.122 16.314 2.198 1.00 0.00 N ATOM 0 H ASN A 2 -7.726 13.837 -1.758 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.999 12.798 0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -7.716 15.011 0.229 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.174 15.663 -0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -9.498 16.498 3.128 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.549 17.017 1.731 1.00 0.00 H new ATOM 18 N GLU A 3 -11.046 13.846 -1.792 1.00 0.00 N ATOM 19 CA GLU A 3 -12.485 13.846 -2.179 1.00 0.00 C ATOM 20 C GLU A 3 -13.023 12.414 -2.132 1.00 0.00 C ATOM 21 O GLU A 3 -14.176 12.186 -1.825 1.00 0.00 O ATOM 22 CB GLU A 3 -12.632 14.402 -3.597 1.00 0.00 C ATOM 23 CG GLU A 3 -12.201 15.870 -3.617 1.00 0.00 C ATOM 24 CD GLU A 3 -12.424 16.448 -5.015 1.00 0.00 C ATOM 25 OE1 GLU A 3 -12.737 15.680 -5.910 1.00 0.00 O ATOM 26 OE2 GLU A 3 -12.279 17.650 -5.168 1.00 0.00 O ATOM 0 H GLU A 3 -10.399 14.134 -2.526 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.049 14.470 -1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.022 13.823 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.666 14.311 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.772 16.438 -2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.150 15.955 -3.340 1.00 0.00 H new ATOM 27 N ASP A 4 -12.198 11.449 -2.435 1.00 0.00 N ATOM 28 CA ASP A 4 -12.665 10.035 -2.405 1.00 0.00 C ATOM 29 C ASP A 4 -13.154 9.689 -0.998 1.00 0.00 C ATOM 30 O ASP A 4 -14.008 8.844 -0.817 1.00 0.00 O ATOM 31 CB ASP A 4 -11.507 9.108 -2.781 1.00 0.00 C ATOM 32 CG ASP A 4 -10.975 9.491 -4.165 1.00 0.00 C ATOM 33 OD1 ASP A 4 -11.649 10.244 -4.849 1.00 0.00 O ATOM 34 OD2 ASP A 4 -9.904 9.025 -4.516 1.00 0.00 O ATOM 0 H ASP A 4 -11.222 11.579 -2.702 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.481 9.907 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.711 9.184 -2.040 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.843 8.071 -2.783 1.00 0.00 H new ATOM 35 N GLN A 5 -12.619 10.336 0.001 1.00 0.00 N ATOM 36 CA GLN A 5 -13.052 10.045 1.396 1.00 0.00 C ATOM 37 C GLN A 5 -14.530 10.404 1.559 1.00 0.00 C ATOM 38 O GLN A 5 -15.264 9.745 2.271 1.00 0.00 O ATOM 39 CB GLN A 5 -12.215 10.876 2.371 1.00 0.00 C ATOM 40 CG GLN A 5 -12.515 10.433 3.804 1.00 0.00 C ATOM 41 CD GLN A 5 -11.643 11.230 4.777 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.763 11.959 4.365 1.00 0.00 O ATOM 43 NE2 GLN A 5 -11.852 11.121 6.061 1.00 0.00 N ATOM 0 H GLN A 5 -11.900 11.054 -0.089 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.912 8.985 1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.154 10.751 2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.442 11.935 2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -13.569 10.590 4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.320 9.366 3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.591 10.509 6.407 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.276 11.648 6.718 1.00 0.00 H new ATOM 44 N GLU A 6 -14.974 11.444 0.908 1.00 0.00 N ATOM 45 CA GLU A 6 -16.404 11.843 1.028 1.00 0.00 C ATOM 46 C GLU A 6 -17.296 10.717 0.499 1.00 0.00 C ATOM 47 O GLU A 6 -18.318 10.401 1.075 1.00 0.00 O ATOM 48 CB GLU A 6 -16.649 13.113 0.212 1.00 0.00 C ATOM 49 CG GLU A 6 -15.821 14.260 0.796 1.00 0.00 C ATOM 50 CD GLU A 6 -16.105 15.545 0.016 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.757 15.458 -1.012 1.00 0.00 O ATOM 52 OE2 GLU A 6 -15.666 16.593 0.460 1.00 0.00 O ATOM 0 H GLU A 6 -14.408 12.034 0.298 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.641 12.032 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.376 12.947 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.708 13.370 0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.066 14.400 1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.759 14.019 0.745 1.00 0.00 H new ATOM 53 N MET A 7 -16.917 10.108 -0.591 1.00 0.00 N ATOM 54 CA MET A 7 -17.746 9.003 -1.151 1.00 0.00 C ATOM 55 C MET A 7 -17.817 7.859 -0.138 1.00 0.00 C ATOM 56 O MET A 7 -18.696 7.023 -0.192 1.00 0.00 O ATOM 57 CB MET A 7 -17.110 8.493 -2.446 1.00 0.00 C ATOM 58 CG MET A 7 -16.988 9.644 -3.444 1.00 0.00 C ATOM 59 SD MET A 7 -18.639 10.238 -3.886 1.00 0.00 S ATOM 60 CE MET A 7 -19.305 8.651 -4.446 1.00 0.00 C ATOM 0 H MET A 7 -16.071 10.327 -1.117 1.00 0.00 H new ATOM 0 HA MET A 7 -18.750 9.372 -1.359 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.126 8.072 -2.239 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.716 7.693 -2.870 1.00 0.00 H new ATOM 0 HG2 MET A 7 -16.402 10.455 -3.010 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.459 9.311 -4.337 1.00 0.00 H new ATOM 0 HE1 MET A 7 -20.027 8.821 -5.245 1.00 0.00 H new ATOM 0 HE2 MET A 7 -18.493 8.026 -4.818 1.00 0.00 H new ATOM 0 HE3 MET A 7 -19.797 8.149 -3.613 1.00 0.00 H new ATOM 61 N CYS A 8 -16.894 7.815 0.783 1.00 0.00 N ATOM 62 CA CYS A 8 -16.905 6.724 1.797 1.00 0.00 C ATOM 63 C CYS A 8 -17.947 7.031 2.872 1.00 0.00 C ATOM 64 O CYS A 8 -18.495 6.140 3.490 1.00 0.00 O ATOM 65 CB CYS A 8 -15.519 6.612 2.432 1.00 0.00 C ATOM 66 SG CYS A 8 -14.333 6.092 1.168 1.00 0.00 S ATOM 0 H CYS A 8 -16.133 8.487 0.877 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.160 5.780 1.316 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.221 7.571 2.857 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.537 5.892 3.251 1.00 0.00 H new ATOM 67 N HIS A 9 -18.235 8.283 3.093 1.00 0.00 N ATOM 68 CA HIS A 9 -19.251 8.637 4.120 1.00 0.00 C ATOM 69 C HIS A 9 -20.578 7.961 3.751 1.00 0.00 C ATOM 70 O HIS A 9 -21.288 7.458 4.599 1.00 0.00 O ATOM 71 CB HIS A 9 -19.421 10.165 4.155 1.00 0.00 C ATOM 72 CG HIS A 9 -20.783 10.530 4.687 1.00 0.00 C ATOM 73 ND1 HIS A 9 -21.944 10.242 3.991 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.183 11.156 5.842 1.00 0.00 C ATOM 75 CE1 HIS A 9 -22.979 10.689 4.723 1.00 0.00 C ATOM 76 NE2 HIS A 9 -22.570 11.256 5.863 1.00 0.00 N ATOM 0 H HIS A 9 -17.812 9.074 2.608 1.00 0.00 H new ATOM 0 HA HIS A 9 -18.934 8.295 5.105 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.648 10.609 4.782 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.293 10.575 3.153 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.521 11.516 6.616 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.014 10.601 4.427 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.150 11.672 6.591 1.00 0.00 H new ATOM 77 N GLU A 10 -20.915 7.954 2.491 1.00 0.00 N ATOM 78 CA GLU A 10 -22.193 7.320 2.060 1.00 0.00 C ATOM 79 C GLU A 10 -22.110 5.800 2.227 1.00 0.00 C ATOM 80 O GLU A 10 -23.052 5.165 2.659 1.00 0.00 O ATOM 81 CB GLU A 10 -22.452 7.654 0.590 1.00 0.00 C ATOM 82 CG GLU A 10 -22.767 9.145 0.453 1.00 0.00 C ATOM 83 CD GLU A 10 -23.139 9.457 -0.998 1.00 0.00 C ATOM 84 OE1 GLU A 10 -23.030 8.564 -1.822 1.00 0.00 O ATOM 85 OE2 GLU A 10 -23.528 10.584 -1.260 1.00 0.00 O ATOM 0 H GLU A 10 -20.359 8.361 1.739 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.006 7.702 2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.579 7.399 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.284 7.060 0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.588 9.416 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.904 9.739 0.754 1.00 0.00 H new ATOM 86 N PHE A 11 -20.999 5.203 1.883 1.00 0.00 N ATOM 87 CA PHE A 11 -20.886 3.724 2.022 1.00 0.00 C ATOM 88 C PHE A 11 -20.989 3.334 3.499 1.00 0.00 C ATOM 89 O PHE A 11 -21.317 2.212 3.831 1.00 0.00 O ATOM 90 CB PHE A 11 -19.543 3.249 1.453 1.00 0.00 C ATOM 91 CG PHE A 11 -19.789 2.192 0.399 1.00 0.00 C ATOM 92 CD1 PHE A 11 -20.878 1.321 0.523 1.00 0.00 C ATOM 93 CD2 PHE A 11 -18.933 2.085 -0.707 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.114 0.348 -0.453 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.170 1.109 -1.682 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.261 0.242 -1.555 1.00 0.00 C ATOM 0 H PHE A 11 -20.172 5.672 1.515 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.696 3.250 1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.001 4.090 1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -18.920 2.845 2.251 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -21.537 1.401 1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.092 2.755 -0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -21.956 -0.322 -0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.510 1.025 -2.533 1.00 0.00 H new ATOM 0 HZ PHE A 11 -20.444 -0.509 -2.309 1.00 0.00 H new ATOM 97 N GLN A 12 -20.722 4.251 4.389 1.00 0.00 N ATOM 98 CA GLN A 12 -20.816 3.926 5.841 1.00 0.00 C ATOM 99 C GLN A 12 -22.270 3.603 6.188 1.00 0.00 C ATOM 100 O GLN A 12 -22.549 2.782 7.040 1.00 0.00 O ATOM 101 CB GLN A 12 -20.346 5.124 6.667 1.00 0.00 C ATOM 102 CG GLN A 12 -20.515 4.816 8.156 1.00 0.00 C ATOM 103 CD GLN A 12 -20.010 6.001 8.982 1.00 0.00 C ATOM 104 OE1 GLN A 12 -19.544 6.982 8.438 1.00 0.00 O ATOM 105 NE2 GLN A 12 -20.084 5.951 10.285 1.00 0.00 N ATOM 0 H GLN A 12 -20.444 5.209 4.174 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.185 3.066 6.066 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -19.301 5.344 6.447 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.921 6.011 6.401 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -21.564 4.622 8.382 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.961 3.914 8.417 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -20.475 5.128 10.742 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.751 6.735 10.845 1.00 0.00 H new ATOM 106 N ALA A 13 -23.201 4.238 5.529 1.00 0.00 N ATOM 107 CA ALA A 13 -24.635 3.959 5.816 1.00 0.00 C ATOM 108 C ALA A 13 -24.926 2.488 5.518 1.00 0.00 C ATOM 109 O ALA A 13 -25.694 1.844 6.204 1.00 0.00 O ATOM 110 CB ALA A 13 -25.515 4.844 4.931 1.00 0.00 C ATOM 0 H ALA A 13 -23.030 4.937 4.806 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.849 4.172 6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.565 4.639 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.301 5.893 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.307 4.631 3.882 1.00 0.00 H new ATOM 111 N PHE A 14 -24.310 1.950 4.501 1.00 0.00 N ATOM 112 CA PHE A 14 -24.540 0.518 4.159 1.00 0.00 C ATOM 113 C PHE A 14 -23.670 -0.364 5.059 1.00 0.00 C ATOM 114 O PHE A 14 -23.688 -1.574 4.960 1.00 0.00 O ATOM 115 CB PHE A 14 -24.167 0.276 2.695 1.00 0.00 C ATOM 116 CG PHE A 14 -25.026 1.141 1.805 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.351 0.775 1.540 1.00 0.00 C ATOM 118 CD2 PHE A 14 -24.496 2.308 1.241 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.146 1.577 0.713 1.00 0.00 C ATOM 120 CE2 PHE A 14 -25.291 3.110 0.414 1.00 0.00 C ATOM 121 CZ PHE A 14 -26.617 2.744 0.150 1.00 0.00 C ATOM 0 H PHE A 14 -23.656 2.441 3.891 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.591 0.271 4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.113 0.505 2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.307 -0.775 2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.760 -0.126 1.974 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.473 2.589 1.444 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.168 1.295 0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -24.882 4.010 -0.020 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.231 3.362 -0.488 1.00 0.00 H new ATOM 122 N MET A 15 -22.908 0.234 5.936 1.00 0.00 N ATOM 123 CA MET A 15 -22.038 -0.571 6.838 1.00 0.00 C ATOM 124 C MET A 15 -22.878 -1.119 7.996 1.00 0.00 C ATOM 125 O MET A 15 -23.574 -0.385 8.670 1.00 0.00 O ATOM 126 CB MET A 15 -20.919 0.317 7.388 1.00 0.00 C ATOM 127 CG MET A 15 -19.899 -0.550 8.128 1.00 0.00 C ATOM 128 SD MET A 15 -18.657 0.507 8.914 1.00 0.00 S ATOM 129 CE MET A 15 -19.701 1.127 10.257 1.00 0.00 C ATOM 0 H MET A 15 -22.851 1.244 6.066 1.00 0.00 H new ATOM 0 HA MET A 15 -21.601 -1.401 6.283 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.433 0.855 6.574 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.333 1.067 8.063 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.402 -1.158 8.880 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.418 -1.237 7.432 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.202 0.961 11.212 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.875 2.194 10.120 1.00 0.00 H new ATOM 0 HE3 MET A 15 -20.655 0.600 10.249 1.00 0.00 H new ATOM 130 N LYS A 16 -22.823 -2.403 8.229 1.00 0.00 N ATOM 131 CA LYS A 16 -23.626 -2.992 9.339 1.00 0.00 C ATOM 132 C LYS A 16 -22.765 -3.973 10.137 1.00 0.00 C ATOM 133 O LYS A 16 -21.893 -4.628 9.601 1.00 0.00 O ATOM 134 CB LYS A 16 -24.830 -3.734 8.755 1.00 0.00 C ATOM 135 CG LYS A 16 -25.665 -2.765 7.916 1.00 0.00 C ATOM 136 CD LYS A 16 -26.951 -3.459 7.465 1.00 0.00 C ATOM 137 CE LYS A 16 -27.816 -2.469 6.682 1.00 0.00 C ATOM 138 NZ LYS A 16 -28.977 -3.187 6.086 1.00 0.00 N ATOM 0 H LYS A 16 -22.258 -3.068 7.700 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.969 -2.195 9.998 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.494 -4.568 8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -25.437 -4.154 9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -25.904 -1.876 8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.094 -2.434 7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -26.713 -4.322 6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.499 -3.832 8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -28.166 -1.675 7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.226 -1.995 5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -29.565 -2.514 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -28.634 -3.930 5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -29.544 -3.619 6.843 1.00 0.00 H new ATOM 139 N ASN A 17 -23.007 -4.084 11.415 1.00 0.00 N ATOM 140 CA ASN A 17 -22.208 -5.026 12.250 1.00 0.00 C ATOM 141 C ASN A 17 -20.717 -4.776 12.017 1.00 0.00 C ATOM 142 O ASN A 17 -19.898 -5.660 12.175 1.00 0.00 O ATOM 143 CB ASN A 17 -22.548 -6.466 11.862 1.00 0.00 C ATOM 144 CG ASN A 17 -24.030 -6.730 12.134 1.00 0.00 C ATOM 145 OD1 ASN A 17 -24.659 -6.013 12.886 1.00 0.00 O ATOM 146 ND2 ASN A 17 -24.618 -7.739 11.550 1.00 0.00 N ATOM 0 H ASN A 17 -23.725 -3.562 11.918 1.00 0.00 H new ATOM 0 HA ASN A 17 -22.444 -4.867 13.302 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -22.325 -6.632 10.808 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.933 -7.163 12.432 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -25.605 -7.925 11.725 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -24.090 -8.341 10.918 1.00 0.00 H new ATOM 147 N GLY A 18 -20.357 -3.581 11.638 1.00 0.00 N ATOM 148 CA GLY A 18 -18.919 -3.280 11.390 1.00 0.00 C ATOM 149 C GLY A 18 -18.521 -3.849 10.028 1.00 0.00 C ATOM 150 O GLY A 18 -17.355 -3.963 9.707 1.00 0.00 O ATOM 0 H GLY A 18 -20.996 -2.800 11.489 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.750 -2.203 11.413 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.302 -3.716 12.176 1.00 0.00 H new ATOM 151 N LYS A 19 -19.486 -4.207 9.228 1.00 0.00 N ATOM 152 CA LYS A 19 -19.177 -4.772 7.888 1.00 0.00 C ATOM 153 C LYS A 19 -19.717 -3.837 6.807 1.00 0.00 C ATOM 154 O LYS A 19 -20.854 -3.412 6.852 1.00 0.00 O ATOM 155 CB LYS A 19 -19.845 -6.139 7.750 1.00 0.00 C ATOM 156 CG LYS A 19 -19.210 -6.902 6.586 1.00 0.00 C ATOM 157 CD LYS A 19 -20.267 -7.168 5.511 1.00 0.00 C ATOM 158 CE LYS A 19 -19.997 -8.524 4.857 1.00 0.00 C ATOM 159 NZ LYS A 19 -20.893 -8.694 3.678 1.00 0.00 N ATOM 0 H LYS A 19 -20.479 -4.132 9.447 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.098 -4.877 7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.733 -6.705 8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.915 -6.017 7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.386 -6.325 6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.791 -7.844 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.263 -7.158 5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.244 -6.379 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.954 -8.589 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.167 -9.326 5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.966 -9.704 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.838 -8.323 3.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.502 -8.174 2.867 1.00 0.00 H new ATOM 160 N LEU A 20 -18.915 -3.515 5.832 1.00 0.00 N ATOM 161 CA LEU A 20 -19.392 -2.612 4.749 1.00 0.00 C ATOM 162 C LEU A 20 -20.133 -3.436 3.697 1.00 0.00 C ATOM 163 O LEU A 20 -19.620 -4.407 3.179 1.00 0.00 O ATOM 164 CB LEU A 20 -18.196 -1.912 4.099 1.00 0.00 C ATOM 165 CG LEU A 20 -18.653 -1.205 2.822 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.492 0.019 3.184 1.00 0.00 C ATOM 167 CD2 LEU A 20 -17.431 -0.760 2.021 1.00 0.00 C ATOM 0 H LEU A 20 -17.952 -3.837 5.738 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.063 -1.863 5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.762 -1.191 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.418 -2.639 3.867 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.252 -1.892 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -19.816 0.521 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.365 -0.295 3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.894 0.706 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.756 -0.256 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.832 -0.075 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -16.831 -1.631 1.759 1.00 0.00 H new ATOM 168 N PHE A 21 -21.337 -3.055 3.374 1.00 0.00 N ATOM 169 CA PHE A 21 -22.107 -3.815 2.352 1.00 0.00 C ATOM 170 C PHE A 21 -22.097 -3.042 1.032 1.00 0.00 C ATOM 171 O PHE A 21 -22.370 -1.860 0.994 1.00 0.00 O ATOM 172 CB PHE A 21 -23.551 -3.991 2.827 1.00 0.00 C ATOM 173 CG PHE A 21 -23.593 -4.998 3.951 1.00 0.00 C ATOM 174 CD1 PHE A 21 -23.156 -4.636 5.230 1.00 0.00 C ATOM 175 CD2 PHE A 21 -24.070 -6.294 3.714 1.00 0.00 C ATOM 176 CE1 PHE A 21 -23.196 -5.568 6.274 1.00 0.00 C ATOM 177 CE2 PHE A 21 -24.110 -7.226 4.758 1.00 0.00 C ATOM 178 CZ PHE A 21 -23.673 -6.863 6.038 1.00 0.00 C ATOM 0 H PHE A 21 -21.821 -2.251 3.773 1.00 0.00 H new ATOM 0 HA PHE A 21 -21.651 -4.794 2.206 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -23.953 -3.036 3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -24.178 -4.326 2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -22.788 -3.637 5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -24.407 -6.574 2.727 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -22.859 -5.288 7.261 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -24.478 -8.225 4.576 1.00 0.00 H new ATOM 0 HZ PHE A 21 -23.704 -7.582 6.843 1.00 0.00 H new ATOM 179 N CYS A 22 -21.773 -3.702 -0.047 1.00 0.00 N ATOM 180 CA CYS A 22 -21.738 -3.013 -1.370 1.00 0.00 C ATOM 181 C CYS A 22 -22.995 -3.365 -2.175 1.00 0.00 C ATOM 182 O CYS A 22 -22.934 -4.112 -3.131 1.00 0.00 O ATOM 183 CB CYS A 22 -20.505 -3.469 -2.160 1.00 0.00 C ATOM 184 SG CYS A 22 -19.123 -3.772 -1.031 1.00 0.00 S ATOM 0 H CYS A 22 -21.530 -4.692 -0.070 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.695 -1.937 -1.203 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.736 -4.377 -2.718 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.229 -2.708 -2.890 1.00 0.00 H new ATOM 185 N PRO A 23 -24.156 -2.809 -1.789 1.00 0.00 N ATOM 186 CA PRO A 23 -25.422 -3.063 -2.489 1.00 0.00 C ATOM 187 C PRO A 23 -25.446 -2.396 -3.867 1.00 0.00 C ATOM 188 O PRO A 23 -24.577 -1.616 -4.206 1.00 0.00 O ATOM 189 CB PRO A 23 -26.469 -2.417 -1.583 1.00 0.00 C ATOM 190 CG PRO A 23 -25.720 -1.366 -0.836 1.00 0.00 C ATOM 191 CD PRO A 23 -24.328 -1.897 -0.647 1.00 0.00 C ATOM 0 HA PRO A 23 -25.588 -4.126 -2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.285 -1.986 -2.164 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -26.911 -3.147 -0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -25.707 -0.428 -1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.192 -1.160 0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -23.588 -1.097 -0.656 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.222 -2.419 0.304 1.00 0.00 H new ATOM 192 N GLN A 24 -26.434 -2.694 -4.666 1.00 0.00 N ATOM 193 CA GLN A 24 -26.509 -2.075 -6.019 1.00 0.00 C ATOM 194 C GLN A 24 -26.996 -0.630 -5.890 1.00 0.00 C ATOM 195 O GLN A 24 -28.133 -0.377 -5.547 1.00 0.00 O ATOM 196 CB GLN A 24 -27.485 -2.868 -6.889 1.00 0.00 C ATOM 197 CG GLN A 24 -26.890 -4.243 -7.199 1.00 0.00 C ATOM 198 CD GLN A 24 -27.842 -5.014 -8.115 1.00 0.00 C ATOM 199 OE1 GLN A 24 -28.985 -4.638 -8.278 1.00 0.00 O ATOM 200 NE2 GLN A 24 -27.415 -6.086 -8.725 1.00 0.00 N ATOM 0 H GLN A 24 -27.192 -3.339 -4.440 1.00 0.00 H new ATOM 0 HA GLN A 24 -25.522 -2.086 -6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -28.439 -2.980 -6.374 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -27.684 -2.329 -7.815 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -25.918 -4.131 -7.678 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -26.728 -4.798 -6.275 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -26.455 -6.402 -8.588 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -28.041 -6.607 -9.338 1.00 0.00 H new ATOM 201 N ASP A 25 -26.144 0.321 -6.164 1.00 0.00 N ATOM 202 CA ASP A 25 -26.560 1.749 -6.057 1.00 0.00 C ATOM 203 C ASP A 25 -27.253 2.178 -7.351 1.00 0.00 C ATOM 204 O ASP A 25 -26.729 2.008 -8.434 1.00 0.00 O ATOM 205 CB ASP A 25 -25.327 2.624 -5.824 1.00 0.00 C ATOM 206 CG ASP A 25 -25.758 4.085 -5.678 1.00 0.00 C ATOM 207 OD1 ASP A 25 -26.951 4.324 -5.582 1.00 0.00 O ATOM 208 OD2 ASP A 25 -24.888 4.941 -5.664 1.00 0.00 O ATOM 0 H ASP A 25 -25.179 0.171 -6.457 1.00 0.00 H new ATOM 0 HA ASP A 25 -27.250 1.864 -5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -24.801 2.298 -4.927 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -24.632 2.520 -6.657 1.00 0.00 H new ATOM 209 N LYS A 26 -28.431 2.732 -7.248 1.00 0.00 N ATOM 210 CA LYS A 26 -29.157 3.170 -8.473 1.00 0.00 C ATOM 211 C LYS A 26 -28.280 4.136 -9.271 1.00 0.00 C ATOM 212 O LYS A 26 -28.345 4.192 -10.484 1.00 0.00 O ATOM 213 CB LYS A 26 -30.457 3.871 -8.072 1.00 0.00 C ATOM 214 CG LYS A 26 -31.365 2.881 -7.337 1.00 0.00 C ATOM 215 CD LYS A 26 -32.701 3.554 -7.019 1.00 0.00 C ATOM 216 CE LYS A 26 -33.578 2.593 -6.213 1.00 0.00 C ATOM 217 NZ LYS A 26 -34.776 3.320 -5.707 1.00 0.00 N ATOM 0 H LYS A 26 -28.921 2.900 -6.369 1.00 0.00 H new ATOM 0 HA LYS A 26 -29.388 2.300 -9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.239 4.726 -7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.963 4.257 -8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -31.529 1.996 -7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.886 2.546 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -32.533 4.471 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -33.207 3.837 -7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -33.885 1.754 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -33.011 2.179 -5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -35.372 2.667 -5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -34.473 4.106 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -35.320 3.694 -6.510 1.00 0.00 H new ATOM 218 N LYS A 27 -27.458 4.897 -8.602 1.00 0.00 N ATOM 219 CA LYS A 27 -26.578 5.859 -9.323 1.00 0.00 C ATOM 220 C LYS A 27 -25.168 5.275 -9.430 1.00 0.00 C ATOM 221 O LYS A 27 -24.589 4.843 -8.453 1.00 0.00 O ATOM 222 CB LYS A 27 -26.529 7.182 -8.557 1.00 0.00 C ATOM 223 CG LYS A 27 -27.267 8.259 -9.354 1.00 0.00 C ATOM 224 CD LYS A 27 -26.625 9.623 -9.087 1.00 0.00 C ATOM 225 CE LYS A 27 -27.679 10.583 -8.531 1.00 0.00 C ATOM 226 NZ LYS A 27 -27.654 10.539 -7.042 1.00 0.00 N ATOM 0 H LYS A 27 -27.358 4.894 -7.587 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.975 6.037 -10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -26.987 7.063 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -25.494 7.481 -8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -27.228 8.029 -10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -28.319 8.279 -9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.804 9.518 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.202 10.024 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -27.482 11.597 -8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -28.668 10.306 -8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -28.370 11.191 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -27.861 9.572 -6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.713 10.823 -6.702 1.00 0.00 H new ATOM 227 N PRO A 28 -24.609 5.262 -10.650 1.00 0.00 N ATOM 228 CA PRO A 28 -23.264 4.728 -10.901 1.00 0.00 C ATOM 229 C PRO A 28 -22.167 5.628 -10.322 1.00 0.00 C ATOM 230 O PRO A 28 -22.081 6.799 -10.635 1.00 0.00 O ATOM 231 CB PRO A 28 -23.168 4.708 -12.426 1.00 0.00 C ATOM 232 CG PRO A 28 -24.128 5.755 -12.880 1.00 0.00 C ATOM 233 CD PRO A 28 -25.247 5.767 -11.878 1.00 0.00 C ATOM 0 HA PRO A 28 -23.121 3.753 -10.434 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -22.155 4.928 -12.762 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -23.431 3.729 -12.826 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.643 6.730 -12.933 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -24.503 5.531 -13.879 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.651 6.770 -11.738 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -26.075 5.131 -12.192 1.00 0.00 H new ATOM 234 N ILE A 29 -21.326 5.086 -9.484 1.00 0.00 N ATOM 235 CA ILE A 29 -20.231 5.903 -8.890 1.00 0.00 C ATOM 236 C ILE A 29 -18.926 5.617 -9.639 1.00 0.00 C ATOM 237 O ILE A 29 -18.703 4.523 -10.120 1.00 0.00 O ATOM 238 CB ILE A 29 -20.077 5.548 -7.404 1.00 0.00 C ATOM 239 CG1 ILE A 29 -19.201 6.600 -6.711 1.00 0.00 C ATOM 240 CG2 ILE A 29 -19.444 4.159 -7.253 1.00 0.00 C ATOM 241 CD1 ILE A 29 -17.726 6.367 -7.052 1.00 0.00 C ATOM 0 H ILE A 29 -21.350 4.111 -9.185 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.469 6.963 -8.978 1.00 0.00 H new ATOM 0 HB ILE A 29 -21.062 5.535 -6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -19.501 7.599 -7.027 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -19.345 6.550 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -19.340 3.919 -6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -20.080 3.415 -7.733 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -18.461 4.154 -7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -17.114 7.120 -6.555 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -17.427 5.375 -6.714 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -17.586 6.440 -8.130 1.00 0.00 H new ATOM 242 N GLN A 30 -18.064 6.592 -9.752 1.00 0.00 N ATOM 243 CA GLN A 30 -16.781 6.369 -10.479 1.00 0.00 C ATOM 244 C GLN A 30 -15.700 5.933 -9.490 1.00 0.00 C ATOM 245 O GLN A 30 -15.556 6.495 -8.423 1.00 0.00 O ATOM 246 CB GLN A 30 -16.353 7.665 -11.169 1.00 0.00 C ATOM 247 CG GLN A 30 -17.272 7.936 -12.363 1.00 0.00 C ATOM 248 CD GLN A 30 -16.799 9.192 -13.098 1.00 0.00 C ATOM 249 OE1 GLN A 30 -15.981 9.935 -12.592 1.00 0.00 O ATOM 250 NE2 GLN A 30 -17.283 9.464 -14.279 1.00 0.00 N ATOM 0 H GLN A 30 -18.192 7.530 -9.374 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.920 5.589 -11.228 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.399 8.496 -10.465 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.318 7.587 -11.503 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -17.267 7.082 -13.040 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.299 8.066 -12.022 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.970 8.841 -14.705 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.975 10.299 -14.776 1.00 0.00 H new ATOM 251 N SER A 31 -14.942 4.931 -9.837 1.00 0.00 N ATOM 252 CA SER A 31 -13.871 4.449 -8.921 1.00 0.00 C ATOM 253 C SER A 31 -12.561 5.173 -9.230 1.00 0.00 C ATOM 254 O SER A 31 -12.524 6.110 -10.003 1.00 0.00 O ATOM 255 CB SER A 31 -13.677 2.948 -9.121 1.00 0.00 C ATOM 256 OG SER A 31 -14.667 2.245 -8.386 1.00 0.00 O ATOM 0 H SER A 31 -15.018 4.423 -10.718 1.00 0.00 H new ATOM 0 HA SER A 31 -14.159 4.651 -7.889 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.748 2.698 -10.180 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.682 2.651 -8.789 1.00 0.00 H new ATOM 0 HG SER A 31 -15.366 2.869 -8.099 1.00 0.00 H new ATOM 257 N LEU A 32 -11.481 4.746 -8.632 1.00 0.00 N ATOM 258 CA LEU A 32 -10.177 5.415 -8.897 1.00 0.00 C ATOM 259 C LEU A 32 -9.058 4.377 -8.975 1.00 0.00 C ATOM 260 O LEU A 32 -8.119 4.526 -9.730 1.00 0.00 O ATOM 261 CB LEU A 32 -9.878 6.416 -7.778 1.00 0.00 C ATOM 262 CG LEU A 32 -10.802 7.628 -7.922 1.00 0.00 C ATOM 263 CD1 LEU A 32 -12.143 7.328 -7.247 1.00 0.00 C ATOM 264 CD2 LEU A 32 -10.156 8.846 -7.257 1.00 0.00 C ATOM 0 H LEU A 32 -11.446 3.967 -7.975 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.235 5.942 -9.849 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.025 5.946 -6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.836 6.731 -7.826 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.965 7.837 -8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.802 8.190 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.603 6.461 -7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.979 7.119 -6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.814 9.709 -7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.992 8.639 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.201 9.059 -7.737 1.00 0.00 H new ATOM 265 N ASP A 33 -9.150 3.321 -8.220 1.00 0.00 N ATOM 266 CA ASP A 33 -8.090 2.282 -8.284 1.00 0.00 C ATOM 267 C ASP A 33 -8.232 1.551 -9.616 1.00 0.00 C ATOM 268 O ASP A 33 -8.510 2.156 -10.633 1.00 0.00 O ATOM 269 CB ASP A 33 -8.265 1.301 -7.123 1.00 0.00 C ATOM 270 CG ASP A 33 -8.329 2.077 -5.806 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.120 3.278 -5.839 1.00 0.00 O ATOM 272 OD2 ASP A 33 -8.586 1.457 -4.788 1.00 0.00 O ATOM 0 H ASP A 33 -9.909 3.133 -7.565 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.101 2.734 -8.208 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.176 0.719 -7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.435 0.594 -7.101 1.00 0.00 H new ATOM 273 N GLY A 34 -8.066 0.262 -9.630 1.00 0.00 N ATOM 274 CA GLY A 34 -8.222 -0.477 -10.908 1.00 0.00 C ATOM 275 C GLY A 34 -9.687 -0.885 -11.063 1.00 0.00 C ATOM 276 O GLY A 34 -9.992 -1.960 -11.543 1.00 0.00 O ATOM 0 H GLY A 34 -7.831 -0.309 -8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.913 0.148 -11.746 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.581 -1.359 -10.915 1.00 0.00 H new ATOM 277 N ILE A 35 -10.605 -0.044 -10.653 1.00 0.00 N ATOM 278 CA ILE A 35 -12.043 -0.413 -10.780 1.00 0.00 C ATOM 279 C ILE A 35 -12.838 0.784 -11.303 1.00 0.00 C ATOM 280 O ILE A 35 -12.304 1.856 -11.507 1.00 0.00 O ATOM 281 CB ILE A 35 -12.602 -0.832 -9.416 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.554 -1.637 -8.638 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.849 -1.693 -9.625 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.718 -1.370 -7.140 1.00 0.00 C ATOM 0 H ILE A 35 -10.421 0.871 -10.241 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.132 -1.246 -11.477 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.858 0.061 -8.846 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.670 -2.701 -8.844 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.551 -1.357 -8.961 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.250 -1.993 -8.657 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.601 -1.119 -10.167 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.586 -2.581 -10.200 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.974 -1.941 -6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.580 -0.307 -6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.717 -1.671 -6.824 1.00 0.00 H new ATOM 285 N MET A 36 -14.113 0.606 -11.524 1.00 0.00 N ATOM 286 CA MET A 36 -14.946 1.731 -12.036 1.00 0.00 C ATOM 287 C MET A 36 -16.249 1.817 -11.236 1.00 0.00 C ATOM 288 O MET A 36 -17.265 2.254 -11.738 1.00 0.00 O ATOM 289 CB MET A 36 -15.271 1.486 -13.512 1.00 0.00 C ATOM 290 CG MET A 36 -14.090 1.931 -14.375 1.00 0.00 C ATOM 291 SD MET A 36 -14.572 1.901 -16.120 1.00 0.00 S ATOM 292 CE MET A 36 -15.259 0.228 -16.137 1.00 0.00 C ATOM 0 H MET A 36 -14.613 -0.270 -11.372 1.00 0.00 H new ATOM 0 HA MET A 36 -14.397 2.666 -11.929 1.00 0.00 H new ATOM 0 HB2 MET A 36 -15.479 0.429 -13.679 1.00 0.00 H new ATOM 0 HB3 MET A 36 -16.169 2.036 -13.794 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.776 2.935 -14.091 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.237 1.272 -14.211 1.00 0.00 H new ATOM 0 HE1 MET A 36 -15.228 -0.168 -17.152 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.672 -0.413 -15.480 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.292 0.255 -15.789 1.00 0.00 H new ATOM 293 N PHE A 37 -16.231 1.408 -9.994 1.00 0.00 N ATOM 294 CA PHE A 37 -17.477 1.478 -9.176 1.00 0.00 C ATOM 295 C PHE A 37 -17.237 0.897 -7.776 1.00 0.00 C ATOM 296 O PHE A 37 -17.106 1.617 -6.806 1.00 0.00 O ATOM 297 CB PHE A 37 -18.586 0.681 -9.866 1.00 0.00 C ATOM 298 CG PHE A 37 -19.847 0.767 -9.042 1.00 0.00 C ATOM 299 CD1 PHE A 37 -20.678 1.886 -9.154 1.00 0.00 C ATOM 300 CD2 PHE A 37 -20.180 -0.270 -8.162 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.846 1.970 -8.385 1.00 0.00 C ATOM 302 CE2 PHE A 37 -21.348 -0.187 -7.394 1.00 0.00 C ATOM 303 CZ PHE A 37 -22.181 0.933 -7.506 1.00 0.00 C ATOM 0 H PHE A 37 -15.414 1.031 -9.514 1.00 0.00 H new ATOM 0 HA PHE A 37 -17.771 2.523 -9.080 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -18.764 1.075 -10.867 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -18.284 -0.360 -9.982 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -20.420 2.685 -9.833 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -19.537 -1.133 -8.076 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -22.488 2.834 -8.470 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -21.606 -0.987 -6.715 1.00 0.00 H new ATOM 0 HZ PHE A 37 -23.082 0.997 -6.914 1.00 0.00 H new ATOM 304 N ILE A 38 -17.208 -0.402 -7.666 1.00 0.00 N ATOM 305 CA ILE A 38 -17.011 -1.052 -6.334 1.00 0.00 C ATOM 306 C ILE A 38 -15.786 -0.477 -5.610 1.00 0.00 C ATOM 307 O ILE A 38 -15.649 -0.626 -4.412 1.00 0.00 O ATOM 308 CB ILE A 38 -16.817 -2.557 -6.530 1.00 0.00 C ATOM 309 CG1 ILE A 38 -15.471 -2.814 -7.209 1.00 0.00 C ATOM 310 CG2 ILE A 38 -17.942 -3.107 -7.409 1.00 0.00 C ATOM 311 CD1 ILE A 38 -15.126 -4.303 -7.117 1.00 0.00 C ATOM 0 H ILE A 38 -17.313 -1.049 -8.447 1.00 0.00 H new ATOM 0 HA ILE A 38 -17.894 -0.858 -5.725 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.837 -3.054 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.514 -2.504 -8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.692 -2.220 -6.732 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -17.804 -4.179 -7.549 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.903 -2.925 -6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -17.922 -2.609 -8.379 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.167 -4.485 -7.601 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -15.066 -4.598 -6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -15.900 -4.887 -7.615 1.00 0.00 H new ATOM 312 N ASN A 39 -14.892 0.163 -6.313 1.00 0.00 N ATOM 313 CA ASN A 39 -13.683 0.722 -5.635 1.00 0.00 C ATOM 314 C ASN A 39 -14.088 1.404 -4.329 1.00 0.00 C ATOM 315 O ASN A 39 -13.484 1.191 -3.298 1.00 0.00 O ATOM 316 CB ASN A 39 -13.000 1.740 -6.546 1.00 0.00 C ATOM 317 CG ASN A 39 -11.630 2.102 -5.970 1.00 0.00 C ATOM 318 OD1 ASN A 39 -10.801 1.240 -5.755 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.354 3.351 -5.711 1.00 0.00 N ATOM 0 H ASN A 39 -14.943 0.323 -7.319 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.992 -0.093 -5.420 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.887 1.328 -7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.616 2.634 -6.636 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.443 3.603 -5.328 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.050 4.075 -5.891 1.00 0.00 H new ATOM 320 N LYS A 40 -15.102 2.224 -4.358 1.00 0.00 N ATOM 321 CA LYS A 40 -15.523 2.908 -3.108 1.00 0.00 C ATOM 322 C LYS A 40 -15.691 1.866 -2.006 1.00 0.00 C ATOM 323 O LYS A 40 -15.223 2.034 -0.901 1.00 0.00 O ATOM 324 CB LYS A 40 -16.850 3.637 -3.337 1.00 0.00 C ATOM 325 CG LYS A 40 -16.633 4.786 -4.322 1.00 0.00 C ATOM 326 CD LYS A 40 -15.466 5.654 -3.846 1.00 0.00 C ATOM 327 CE LYS A 40 -15.395 6.926 -4.694 1.00 0.00 C ATOM 328 NZ LYS A 40 -14.747 6.618 -6.000 1.00 0.00 N ATOM 0 H LYS A 40 -15.652 2.448 -5.187 1.00 0.00 H new ATOM 0 HA LYS A 40 -14.766 3.636 -2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.596 2.944 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.235 4.021 -2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.425 4.392 -5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.539 5.387 -4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.596 5.912 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.531 5.099 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.397 7.323 -4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.830 7.695 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.499 7.505 -6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.885 6.060 -5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.404 6.073 -6.594 1.00 0.00 H new ATOM 329 N CYS A 41 -16.352 0.786 -2.307 1.00 0.00 N ATOM 330 CA CYS A 41 -16.555 -0.277 -1.284 1.00 0.00 C ATOM 331 C CYS A 41 -15.224 -0.975 -0.997 1.00 0.00 C ATOM 332 O CYS A 41 -14.910 -1.291 0.133 1.00 0.00 O ATOM 333 CB CYS A 41 -17.560 -1.303 -1.813 1.00 0.00 C ATOM 334 SG CYS A 41 -18.562 -1.929 -0.442 1.00 0.00 S ATOM 0 H CYS A 41 -16.762 0.592 -3.220 1.00 0.00 H new ATOM 0 HA CYS A 41 -16.935 0.171 -0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.201 -0.845 -2.566 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -17.035 -2.125 -2.299 1.00 0.00 H new ATOM 335 N ALA A 42 -14.444 -1.223 -2.011 1.00 0.00 N ATOM 336 CA ALA A 42 -13.139 -1.909 -1.798 1.00 0.00 C ATOM 337 C ALA A 42 -12.146 -0.949 -1.137 1.00 0.00 C ATOM 338 O ALA A 42 -11.218 -1.368 -0.474 1.00 0.00 O ATOM 339 CB ALA A 42 -12.579 -2.369 -3.145 1.00 0.00 C ATOM 0 H ALA A 42 -14.654 -0.980 -2.979 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.291 -2.771 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.624 -2.871 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.280 -3.060 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.433 -1.505 -3.793 1.00 0.00 H new ATOM 340 N THR A 43 -12.323 0.332 -1.316 1.00 0.00 N ATOM 341 CA THR A 43 -11.373 1.300 -0.699 1.00 0.00 C ATOM 342 C THR A 43 -11.985 1.900 0.569 1.00 0.00 C ATOM 343 O THR A 43 -11.315 2.069 1.569 1.00 0.00 O ATOM 344 CB THR A 43 -11.070 2.419 -1.696 1.00 0.00 C ATOM 345 OG1 THR A 43 -12.287 2.900 -2.250 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.174 1.882 -2.811 1.00 0.00 C ATOM 0 H THR A 43 -13.080 0.748 -1.859 1.00 0.00 H new ATOM 0 HA THR A 43 -10.452 0.779 -0.438 1.00 0.00 H new ATOM 0 HB THR A 43 -10.558 3.234 -1.184 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.702 2.195 -2.790 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.959 2.680 -3.521 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.241 1.515 -2.383 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.682 1.066 -3.325 1.00 0.00 H new ATOM 347 N CYS A 44 -13.244 2.235 0.536 1.00 0.00 N ATOM 348 CA CYS A 44 -13.881 2.836 1.741 1.00 0.00 C ATOM 349 C CYS A 44 -13.884 1.828 2.889 1.00 0.00 C ATOM 350 O CYS A 44 -13.983 2.194 4.039 1.00 0.00 O ATOM 351 CB CYS A 44 -15.314 3.251 1.417 1.00 0.00 C ATOM 352 SG CYS A 44 -15.276 4.588 0.200 1.00 0.00 S ATOM 0 H CYS A 44 -13.858 2.119 -0.270 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.311 3.715 2.041 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -15.873 2.401 1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -15.825 3.580 2.322 1.00 0.00 H new ATOM 353 N LYS A 45 -13.776 0.564 2.596 1.00 0.00 N ATOM 354 CA LYS A 45 -13.771 -0.442 3.694 1.00 0.00 C ATOM 355 C LYS A 45 -12.632 -0.115 4.663 1.00 0.00 C ATOM 356 O LYS A 45 -12.810 -0.111 5.865 1.00 0.00 O ATOM 357 CB LYS A 45 -13.566 -1.841 3.110 1.00 0.00 C ATOM 358 CG LYS A 45 -13.722 -2.883 4.220 1.00 0.00 C ATOM 359 CD LYS A 45 -13.478 -4.279 3.645 1.00 0.00 C ATOM 360 CE LYS A 45 -13.662 -5.323 4.748 1.00 0.00 C ATOM 361 NZ LYS A 45 -14.868 -6.149 4.453 1.00 0.00 N ATOM 0 H LYS A 45 -13.692 0.185 1.653 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.723 -0.414 4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.291 -2.026 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.576 -1.918 2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.016 -2.681 5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.722 -2.825 4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.171 -4.473 2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.471 -4.343 3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.779 -5.959 4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.772 -4.831 5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.994 -6.859 5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.707 -5.536 4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.745 -6.629 3.538 1.00 0.00 H new ATOM 362 N MET A 46 -11.467 0.171 4.149 1.00 0.00 N ATOM 363 CA MET A 46 -10.326 0.511 5.044 1.00 0.00 C ATOM 364 C MET A 46 -10.470 1.961 5.505 1.00 0.00 C ATOM 365 O MET A 46 -10.032 2.332 6.576 1.00 0.00 O ATOM 366 CB MET A 46 -9.009 0.345 4.281 1.00 0.00 C ATOM 367 CG MET A 46 -8.800 -1.132 3.939 1.00 0.00 C ATOM 368 SD MET A 46 -7.187 -1.344 3.145 1.00 0.00 S ATOM 369 CE MET A 46 -7.399 -0.089 1.859 1.00 0.00 C ATOM 0 H MET A 46 -11.257 0.184 3.151 1.00 0.00 H new ATOM 0 HA MET A 46 -10.326 -0.153 5.909 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.027 0.941 3.369 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.178 0.711 4.884 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.854 -1.737 4.844 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.592 -1.479 3.276 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.788 -0.347 0.994 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.447 -0.045 1.563 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.090 0.883 2.244 1.00 0.00 H new ATOM 370 N ILE A 47 -11.088 2.783 4.700 1.00 0.00 N ATOM 371 CA ILE A 47 -11.271 4.210 5.084 1.00 0.00 C ATOM 372 C ILE A 47 -12.481 4.330 6.014 1.00 0.00 C ATOM 373 O ILE A 47 -12.655 5.316 6.700 1.00 0.00 O ATOM 374 CB ILE A 47 -11.513 5.045 3.824 1.00 0.00 C ATOM 375 CG1 ILE A 47 -10.311 4.912 2.885 1.00 0.00 C ATOM 376 CG2 ILE A 47 -11.701 6.513 4.206 1.00 0.00 C ATOM 377 CD1 ILE A 47 -9.020 5.140 3.675 1.00 0.00 C ATOM 0 H ILE A 47 -11.474 2.526 3.792 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.379 4.571 5.596 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.411 4.686 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.301 3.923 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.387 5.637 2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.873 7.104 3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.558 6.609 4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.806 6.875 4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.163 5.046 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.032 6.139 4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.944 4.398 4.470 1.00 0.00 H new ATOM 378 N LEU A 48 -13.318 3.328 6.040 1.00 0.00 N ATOM 379 CA LEU A 48 -14.516 3.378 6.923 1.00 0.00 C ATOM 380 C LEU A 48 -14.125 2.924 8.329 1.00 0.00 C ATOM 381 O LEU A 48 -14.776 3.251 9.301 1.00 0.00 O ATOM 382 CB LEU A 48 -15.596 2.450 6.357 1.00 0.00 C ATOM 383 CG LEU A 48 -16.891 2.587 7.167 1.00 0.00 C ATOM 384 CD1 LEU A 48 -17.144 4.058 7.510 1.00 0.00 C ATOM 385 CD2 LEU A 48 -18.062 2.056 6.337 1.00 0.00 C ATOM 0 H LEU A 48 -13.223 2.476 5.487 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.903 4.396 6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.785 2.695 5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.249 1.417 6.385 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.797 2.015 8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.066 4.144 8.085 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.311 4.443 8.099 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.235 4.636 6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.985 2.151 6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.145 2.631 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.891 1.007 6.096 1.00 0.00 H new ATOM 386 N GLU A 49 -13.059 2.181 8.446 1.00 0.00 N ATOM 387 CA GLU A 49 -12.619 1.714 9.790 1.00 0.00 C ATOM 388 C GLU A 49 -11.862 2.844 10.487 1.00 0.00 C ATOM 389 O GLU A 49 -11.854 2.946 11.699 1.00 0.00 O ATOM 390 CB GLU A 49 -11.698 0.502 9.634 1.00 0.00 C ATOM 391 CG GLU A 49 -12.499 -0.682 9.089 1.00 0.00 C ATOM 392 CD GLU A 49 -11.583 -1.900 8.958 1.00 0.00 C ATOM 393 OE1 GLU A 49 -10.386 -1.738 9.130 1.00 0.00 O ATOM 394 OE2 GLU A 49 -12.094 -2.974 8.685 1.00 0.00 O ATOM 0 H GLU A 49 -12.473 1.877 7.668 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.488 1.431 10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.877 0.741 8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.255 0.243 10.595 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.331 -0.909 9.755 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.927 -0.430 8.119 1.00 0.00 H new ATOM 395 N LYS A 50 -11.227 3.698 9.732 1.00 0.00 N ATOM 396 CA LYS A 50 -10.473 4.825 10.348 1.00 0.00 C ATOM 397 C LYS A 50 -11.448 5.732 11.100 1.00 0.00 C ATOM 398 O LYS A 50 -11.109 6.326 12.104 1.00 0.00 O ATOM 399 CB LYS A 50 -9.770 5.627 9.250 1.00 0.00 C ATOM 400 CG LYS A 50 -8.947 6.752 9.884 1.00 0.00 C ATOM 401 CD LYS A 50 -8.344 7.625 8.782 1.00 0.00 C ATOM 402 CE LYS A 50 -7.364 8.625 9.401 1.00 0.00 C ATOM 403 NZ LYS A 50 -8.057 9.925 9.628 1.00 0.00 N ATOM 0 H LYS A 50 -11.198 3.663 8.713 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.729 4.434 11.042 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.122 4.973 8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.506 6.044 8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.578 7.355 10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.155 6.333 10.505 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.830 7.002 8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.134 8.155 8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.979 8.237 10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.508 8.767 8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.391 10.604 10.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.404 10.297 8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.860 9.782 10.273 1.00 0.00 H new ATOM 404 N GLU A 51 -12.657 5.839 10.623 1.00 0.00 N ATOM 405 CA GLU A 51 -13.655 6.705 11.311 1.00 0.00 C ATOM 406 C GLU A 51 -13.806 6.247 12.763 1.00 0.00 C ATOM 407 O GLU A 51 -14.048 7.039 13.652 1.00 0.00 O ATOM 408 CB GLU A 51 -15.005 6.594 10.598 1.00 0.00 C ATOM 409 CG GLU A 51 -15.997 7.575 11.227 1.00 0.00 C ATOM 410 CD GLU A 51 -17.377 7.377 10.599 1.00 0.00 C ATOM 411 OE1 GLU A 51 -17.506 6.497 9.763 1.00 0.00 O ATOM 412 OE2 GLU A 51 -18.284 8.107 10.965 1.00 0.00 O ATOM 0 H GLU A 51 -12.997 5.364 9.787 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.317 7.741 11.288 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.886 6.811 9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.386 5.576 10.675 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.049 7.415 12.304 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.659 8.600 11.073 1.00 0.00 H new ATOM 413 N ALA A 52 -13.663 4.973 13.009 1.00 0.00 N ATOM 414 CA ALA A 52 -13.796 4.465 14.403 1.00 0.00 C ATOM 415 C ALA A 52 -12.685 5.063 15.269 1.00 0.00 C ATOM 416 O ALA A 52 -12.837 5.228 16.463 1.00 0.00 O ATOM 417 CB ALA A 52 -13.677 2.939 14.402 1.00 0.00 C ATOM 0 H ALA A 52 -13.460 4.263 12.305 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.767 4.753 14.806 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.774 2.566 15.422 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.466 2.513 13.783 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.706 2.650 14.001 1.00 0.00 H new ATOM 418 N LYS A 53 -11.570 5.389 14.676 1.00 0.00 N ATOM 419 CA LYS A 53 -10.451 5.978 15.464 1.00 0.00 C ATOM 420 C LYS A 53 -10.902 7.306 16.073 1.00 0.00 C ATOM 421 O LYS A 53 -10.510 7.665 17.165 1.00 0.00 O ATOM 422 CB LYS A 53 -9.251 6.219 14.545 1.00 0.00 C ATOM 423 CG LYS A 53 -8.065 6.714 15.375 1.00 0.00 C ATOM 424 CD LYS A 53 -6.889 7.027 14.448 1.00 0.00 C ATOM 425 CE LYS A 53 -5.661 7.388 15.285 1.00 0.00 C ATOM 426 NZ LYS A 53 -4.497 6.572 14.837 1.00 0.00 N ATOM 0 H LYS A 53 -11.385 5.273 13.680 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.166 5.291 16.260 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.986 5.298 14.026 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.506 6.954 13.781 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.347 7.605 15.936 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.776 5.957 16.104 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.671 6.166 13.816 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.145 7.853 13.784 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.436 8.449 15.181 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.861 7.206 16.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.662 6.817 15.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.714 5.562 14.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.302 6.767 13.834 1.00 0.00 H new ATOM 427 N SER A 54 -11.725 8.040 15.375 1.00 0.00 N ATOM 428 CA SER A 54 -12.202 9.344 15.915 1.00 0.00 C ATOM 429 C SER A 54 -12.954 9.109 17.226 1.00 0.00 C ATOM 430 O SER A 54 -13.007 9.965 18.085 1.00 0.00 O ATOM 431 CB SER A 54 -13.138 10.006 14.900 1.00 0.00 C ATOM 432 OG SER A 54 -12.480 10.107 13.646 1.00 0.00 O ATOM 0 H SER A 54 -12.087 7.793 14.454 1.00 0.00 H new ATOM 0 HA SER A 54 -11.347 9.995 16.099 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.052 9.422 14.797 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.430 10.996 15.250 1.00 0.00 H new ATOM 0 HG SER A 54 -13.079 10.529 12.995 1.00 0.00 H new ATOM 433 N GLN A 55 -13.539 7.952 17.385 1.00 0.00 N ATOM 434 CA GLN A 55 -14.288 7.662 18.639 1.00 0.00 C ATOM 435 C GLN A 55 -15.356 8.736 18.856 1.00 0.00 C ATOM 436 O GLN A 55 -15.002 9.815 19.302 1.00 0.00 O ATOM 437 CB GLN A 55 -13.319 7.661 19.823 1.00 0.00 C ATOM 438 CG GLN A 55 -12.278 6.556 19.629 1.00 0.00 C ATOM 439 CD GLN A 55 -11.262 6.608 20.771 1.00 0.00 C ATOM 440 OE1 GLN A 55 -11.170 7.593 21.475 1.00 0.00 O ATOM 441 NE2 GLN A 55 -10.486 5.579 20.986 1.00 0.00 N ATOM 442 OXT GLN A 55 -16.511 8.461 18.571 1.00 0.00 O ATOM 0 H GLN A 55 -13.530 7.196 16.700 1.00 0.00 H new ATOM 0 HA GLN A 55 -14.766 6.686 18.559 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.826 8.630 19.904 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.865 7.502 20.753 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.766 5.582 19.606 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.772 6.682 18.672 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.562 4.751 20.396 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.804 5.604 21.744 1.00 0.00 H new TER 443 GLN A 55