USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot 130:sc= 0.598 USER MOD Set 1.2: A 39 ASN : amide:sc= -10.4! C(o=-9.9!,f=-10!) USER MOD Set 1.3: A 43 THR OG1 : rot -63:sc= -0.0811 USER MOD Single : A 1 LYS N :NH3+ -164:sc= -0.0353 (180deg=-0.373) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0135 K(o=-0.014,f=-1.6!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 7 MET CE :methyl -114:sc= -4.63! (180deg=-7.04!) USER MOD Single : A 9 HIS : no HD1:sc= -2.21! C(o=-2.2!,f=-5!) USER MOD Single : A 12 GLN : amide:sc= -2.69! C(o=-2.7!,f=-4.5!) USER MOD Single : A 15 MET CE :methyl -164:sc= -4.45! (180deg=-5.65!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc=-0.00322 K(o=-0.0032,f=-1.6!) USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= 0.0332 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0223 K(o=-0.022,f=-2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= -0.329 (180deg=-1.54) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 36 MET CE :methyl 142:sc= -0.202 (180deg=-1.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) 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 -99:sc= 1.21 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.196 13.010 -3.676 1.00 0.00 N ATOM 2 CA LYS A 1 -7.684 12.111 -2.603 1.00 0.00 C ATOM 3 C LYS A 1 -8.487 12.339 -1.321 1.00 0.00 C ATOM 4 O LYS A 1 -9.397 11.597 -1.007 1.00 0.00 O ATOM 5 CB LYS A 1 -6.208 12.416 -2.343 1.00 0.00 C ATOM 6 CG LYS A 1 -5.396 12.103 -3.601 1.00 0.00 C ATOM 7 CD LYS A 1 -3.906 12.285 -3.304 1.00 0.00 C ATOM 8 CE LYS A 1 -3.101 12.094 -4.591 1.00 0.00 C ATOM 9 NZ LYS A 1 -2.170 13.243 -4.770 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.852 12.679 -4.600 1.00 0.00 H new ATOM 0 H2 LYS A 1 -9.236 13.000 -3.670 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.858 13.979 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.789 11.073 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.085 13.464 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.844 11.822 -1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.591 11.081 -3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.699 12.761 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.725 13.278 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.584 11.566 -2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.539 11.161 -4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.774 12.021 -5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -1.623 13.113 -5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.716 14.126 -4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -1.520 13.293 -3.959 1.00 0.00 H new ATOM 10 N ASN A 2 -8.160 13.361 -0.578 1.00 0.00 N ATOM 11 CA ASN A 2 -8.909 13.634 0.682 1.00 0.00 C ATOM 12 C ASN A 2 -10.402 13.749 0.372 1.00 0.00 C ATOM 13 O ASN A 2 -11.242 13.465 1.203 1.00 0.00 O ATOM 14 CB ASN A 2 -8.413 14.945 1.297 1.00 0.00 C ATOM 15 CG ASN A 2 -6.941 14.802 1.690 1.00 0.00 C ATOM 16 OD1 ASN A 2 -6.433 13.703 1.797 1.00 0.00 O ATOM 17 ND2 ASN A 2 -6.229 15.873 1.911 1.00 0.00 N ATOM 0 H ASN A 2 -7.408 14.018 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.746 12.818 1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.532 15.761 0.584 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.011 15.197 2.173 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.247 15.787 2.173 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.654 16.796 1.821 1.00 0.00 H new ATOM 18 N GLU A 3 -10.740 14.162 -0.820 1.00 0.00 N ATOM 19 CA GLU A 3 -12.179 14.293 -1.183 1.00 0.00 C ATOM 20 C GLU A 3 -12.814 12.904 -1.250 1.00 0.00 C ATOM 21 O GLU A 3 -13.947 12.708 -0.855 1.00 0.00 O ATOM 22 CB GLU A 3 -12.301 14.976 -2.547 1.00 0.00 C ATOM 23 CG GLU A 3 -11.868 16.438 -2.427 1.00 0.00 C ATOM 24 CD GLU A 3 -12.132 17.159 -3.751 1.00 0.00 C ATOM 25 OE1 GLU A 3 -12.506 16.493 -4.701 1.00 0.00 O ATOM 26 OE2 GLU A 3 -11.955 18.366 -3.790 1.00 0.00 O ATOM 0 H GLU A 3 -10.082 14.414 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.691 14.892 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.680 14.461 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.329 14.918 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.415 16.925 -1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.809 16.495 -2.174 1.00 0.00 H new ATOM 27 N ASP A 4 -12.092 11.937 -1.745 1.00 0.00 N ATOM 28 CA ASP A 4 -12.654 10.559 -1.835 1.00 0.00 C ATOM 29 C ASP A 4 -13.050 10.085 -0.436 1.00 0.00 C ATOM 30 O ASP A 4 -13.918 9.250 -0.274 1.00 0.00 O ATOM 31 CB ASP A 4 -11.604 9.607 -2.419 1.00 0.00 C ATOM 32 CG ASP A 4 -10.782 10.337 -3.485 1.00 0.00 C ATOM 33 OD1 ASP A 4 -11.358 11.139 -4.202 1.00 0.00 O ATOM 34 OD2 ASP A 4 -9.593 10.082 -3.564 1.00 0.00 O ATOM 0 H ASP A 4 -11.138 12.041 -2.091 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.530 10.566 -2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.949 9.242 -1.627 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -12.092 8.736 -2.856 1.00 0.00 H new ATOM 35 N GLN A 5 -12.418 10.612 0.578 1.00 0.00 N ATOM 36 CA GLN A 5 -12.758 10.193 1.967 1.00 0.00 C ATOM 37 C GLN A 5 -14.230 10.504 2.245 1.00 0.00 C ATOM 38 O GLN A 5 -14.930 9.731 2.868 1.00 0.00 O ATOM 39 CB GLN A 5 -11.881 10.958 2.961 1.00 0.00 C ATOM 40 CG GLN A 5 -12.112 10.411 4.371 1.00 0.00 C ATOM 41 CD GLN A 5 -11.254 11.192 5.369 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.468 12.033 4.983 1.00 0.00 O ATOM 43 NE2 GLN A 5 -11.374 10.948 6.645 1.00 0.00 N ATOM 0 H GLN A 5 -11.682 11.314 0.504 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.583 9.123 2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.831 10.857 2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.118 12.021 2.928 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -13.166 10.495 4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.858 9.352 4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.034 10.241 6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.807 11.464 7.318 1.00 0.00 H new ATOM 44 N GLU A 6 -14.704 11.630 1.786 1.00 0.00 N ATOM 45 CA GLU A 6 -16.131 11.988 2.022 1.00 0.00 C ATOM 46 C GLU A 6 -17.031 10.938 1.371 1.00 0.00 C ATOM 47 O GLU A 6 -18.063 10.576 1.900 1.00 0.00 O ATOM 48 CB GLU A 6 -16.420 13.361 1.413 1.00 0.00 C ATOM 49 CG GLU A 6 -15.540 14.415 2.088 1.00 0.00 C ATOM 50 CD GLU A 6 -15.818 15.786 1.468 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.491 15.829 0.453 1.00 0.00 O ATOM 52 OE2 GLU A 6 -15.351 16.769 2.021 1.00 0.00 O ATOM 0 H GLU A 6 -14.165 12.317 1.258 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.327 12.020 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.226 13.343 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.472 13.614 1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.742 14.441 3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.488 14.157 1.968 1.00 0.00 H new ATOM 53 N MET A 7 -16.646 10.441 0.227 1.00 0.00 N ATOM 54 CA MET A 7 -17.480 9.410 -0.453 1.00 0.00 C ATOM 55 C MET A 7 -17.652 8.209 0.476 1.00 0.00 C ATOM 56 O MET A 7 -18.627 7.488 0.403 1.00 0.00 O ATOM 57 CB MET A 7 -16.789 8.964 -1.743 1.00 0.00 C ATOM 58 CG MET A 7 -16.842 10.099 -2.769 1.00 0.00 C ATOM 59 SD MET A 7 -15.920 9.617 -4.250 1.00 0.00 S ATOM 60 CE MET A 7 -17.099 8.390 -4.864 1.00 0.00 C ATOM 0 H MET A 7 -15.792 10.704 -0.265 1.00 0.00 H new ATOM 0 HA MET A 7 -18.457 9.829 -0.693 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.753 8.693 -1.538 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.279 8.076 -2.142 1.00 0.00 H new ATOM 0 HG2 MET A 7 -17.877 10.321 -3.028 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.418 11.008 -2.343 1.00 0.00 H new ATOM 0 HE1 MET A 7 -16.647 7.399 -4.823 1.00 0.00 H new ATOM 0 HE2 MET A 7 -17.996 8.406 -4.245 1.00 0.00 H new ATOM 0 HE3 MET A 7 -17.365 8.625 -5.895 1.00 0.00 H new ATOM 61 N CYS A 8 -16.711 7.989 1.354 1.00 0.00 N ATOM 62 CA CYS A 8 -16.821 6.837 2.291 1.00 0.00 C ATOM 63 C CYS A 8 -17.865 7.156 3.362 1.00 0.00 C ATOM 64 O CYS A 8 -18.624 6.303 3.777 1.00 0.00 O ATOM 65 CB CYS A 8 -15.464 6.588 2.952 1.00 0.00 C ATOM 66 SG CYS A 8 -15.596 5.205 4.112 1.00 0.00 S ATOM 0 H CYS A 8 -15.871 8.558 1.462 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.124 5.945 1.743 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.714 6.368 2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.134 7.485 3.476 1.00 0.00 H new ATOM 67 N HIS A 9 -17.915 8.381 3.809 1.00 0.00 N ATOM 68 CA HIS A 9 -18.917 8.751 4.846 1.00 0.00 C ATOM 69 C HIS A 9 -20.287 8.208 4.432 1.00 0.00 C ATOM 70 O HIS A 9 -20.950 7.526 5.187 1.00 0.00 O ATOM 71 CB HIS A 9 -18.977 10.278 4.973 1.00 0.00 C ATOM 72 CG HIS A 9 -20.224 10.680 5.711 1.00 0.00 C ATOM 73 ND1 HIS A 9 -21.487 10.545 5.155 1.00 0.00 N ATOM 74 CD2 HIS A 9 -20.421 11.214 6.961 1.00 0.00 C ATOM 75 CE1 HIS A 9 -22.378 10.988 6.060 1.00 0.00 C ATOM 76 NE2 HIS A 9 -21.782 11.408 7.179 1.00 0.00 N ATOM 0 H HIS A 9 -17.306 9.140 3.501 1.00 0.00 H new ATOM 0 HA HIS A 9 -18.633 8.324 5.808 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.097 10.643 5.502 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -18.966 10.735 3.983 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -19.638 11.448 7.668 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.446 11.002 5.901 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -22.228 11.789 8.014 1.00 0.00 H new ATOM 77 N GLU A 10 -20.713 8.508 3.236 1.00 0.00 N ATOM 78 CA GLU A 10 -22.037 8.010 2.768 1.00 0.00 C ATOM 79 C GLU A 10 -22.059 6.481 2.828 1.00 0.00 C ATOM 80 O GLU A 10 -23.079 5.877 3.096 1.00 0.00 O ATOM 81 CB GLU A 10 -22.272 8.467 1.328 1.00 0.00 C ATOM 82 CG GLU A 10 -22.564 9.969 1.312 1.00 0.00 C ATOM 83 CD GLU A 10 -23.745 10.268 2.236 1.00 0.00 C ATOM 84 OE1 GLU A 10 -24.498 9.351 2.518 1.00 0.00 O ATOM 85 OE2 GLU A 10 -23.877 11.409 2.648 1.00 0.00 O ATOM 0 H GLU A 10 -20.201 9.077 2.562 1.00 0.00 H new ATOM 0 HA GLU A 10 -22.823 8.409 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.395 8.249 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.107 7.918 0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.684 10.525 1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.791 10.296 0.297 1.00 0.00 H new ATOM 86 N PHE A 11 -20.944 5.849 2.580 1.00 0.00 N ATOM 87 CA PHE A 11 -20.913 4.360 2.624 1.00 0.00 C ATOM 88 C PHE A 11 -20.731 3.895 4.070 1.00 0.00 C ATOM 89 O PHE A 11 -20.570 2.721 4.338 1.00 0.00 O ATOM 90 CB PHE A 11 -19.764 3.841 1.756 1.00 0.00 C ATOM 91 CG PHE A 11 -20.337 3.121 0.558 1.00 0.00 C ATOM 92 CD1 PHE A 11 -20.641 3.832 -0.610 1.00 0.00 C ATOM 93 CD2 PHE A 11 -20.575 1.742 0.617 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.183 3.166 -1.715 1.00 0.00 C ATOM 95 CE2 PHE A 11 -21.115 1.076 -0.489 1.00 0.00 C ATOM 96 CZ PHE A 11 -21.419 1.788 -1.655 1.00 0.00 C ATOM 0 H PHE A 11 -20.057 6.297 2.350 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.853 3.965 2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.134 4.669 1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.131 3.167 2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -20.457 4.895 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -20.342 1.192 1.517 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -21.419 3.716 -2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -21.297 0.012 -0.443 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.836 1.274 -2.508 1.00 0.00 H new ATOM 97 N GLN A 12 -20.773 4.804 5.007 1.00 0.00 N ATOM 98 CA GLN A 12 -20.620 4.411 6.436 1.00 0.00 C ATOM 99 C GLN A 12 -21.992 4.015 6.985 1.00 0.00 C ATOM 100 O GLN A 12 -22.106 3.179 7.859 1.00 0.00 O ATOM 101 CB GLN A 12 -20.070 5.591 7.240 1.00 0.00 C ATOM 102 CG GLN A 12 -18.588 5.787 6.914 1.00 0.00 C ATOM 103 CD GLN A 12 -18.065 7.023 7.651 1.00 0.00 C ATOM 104 OE1 GLN A 12 -18.832 7.870 8.063 1.00 0.00 O ATOM 105 NE2 GLN A 12 -16.780 7.164 7.834 1.00 0.00 N ATOM 0 H GLN A 12 -20.907 5.802 4.844 1.00 0.00 H new ATOM 0 HA GLN A 12 -19.928 3.572 6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -20.628 6.497 7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.197 5.408 8.307 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.019 4.906 7.210 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -18.453 5.907 5.839 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.135 6.454 7.489 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.421 7.985 8.322 1.00 0.00 H new ATOM 106 N ALA A 13 -23.035 4.608 6.468 1.00 0.00 N ATOM 107 CA ALA A 13 -24.403 4.264 6.948 1.00 0.00 C ATOM 108 C ALA A 13 -24.821 2.925 6.339 1.00 0.00 C ATOM 109 O ALA A 13 -25.703 2.252 6.833 1.00 0.00 O ATOM 110 CB ALA A 13 -25.385 5.352 6.513 1.00 0.00 C ATOM 0 H ALA A 13 -22.998 5.315 5.734 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.406 4.192 8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.386 5.100 6.864 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.081 6.308 6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.390 5.424 5.425 1.00 0.00 H new ATOM 111 N PHE A 14 -24.184 2.533 5.268 1.00 0.00 N ATOM 112 CA PHE A 14 -24.531 1.235 4.622 1.00 0.00 C ATOM 113 C PHE A 14 -23.856 0.093 5.384 1.00 0.00 C ATOM 114 O PHE A 14 -23.901 -1.050 4.974 1.00 0.00 O ATOM 115 CB PHE A 14 -24.037 1.237 3.173 1.00 0.00 C ATOM 116 CG PHE A 14 -24.965 2.064 2.318 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.148 1.504 1.823 1.00 0.00 C ATOM 118 CD2 PHE A 14 -24.638 3.391 2.013 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.007 2.270 1.025 1.00 0.00 C ATOM 120 CE2 PHE A 14 -25.497 4.158 1.216 1.00 0.00 C ATOM 121 CZ PHE A 14 -26.681 3.597 0.721 1.00 0.00 C ATOM 0 H PHE A 14 -23.437 3.057 4.812 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.612 1.099 4.638 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.026 1.641 3.124 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -23.991 0.216 2.793 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.399 0.480 2.057 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.724 3.823 2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -27.920 1.837 0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.246 5.182 0.983 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.342 4.188 0.105 1.00 0.00 H new ATOM 122 N MET A 15 -23.225 0.393 6.488 1.00 0.00 N ATOM 123 CA MET A 15 -22.543 -0.676 7.269 1.00 0.00 C ATOM 124 C MET A 15 -23.575 -1.432 8.108 1.00 0.00 C ATOM 125 O MET A 15 -24.460 -0.843 8.698 1.00 0.00 O ATOM 126 CB MET A 15 -21.505 -0.042 8.195 1.00 0.00 C ATOM 127 CG MET A 15 -20.103 -0.301 7.641 1.00 0.00 C ATOM 128 SD MET A 15 -18.871 0.311 8.816 1.00 0.00 S ATOM 129 CE MET A 15 -19.700 1.869 9.214 1.00 0.00 C ATOM 0 H MET A 15 -23.153 1.331 6.881 1.00 0.00 H new ATOM 0 HA MET A 15 -22.051 -1.368 6.586 1.00 0.00 H new ATOM 0 HB2 MET A 15 -21.683 1.030 8.278 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.594 -0.459 9.198 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.959 -1.368 7.469 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.983 0.196 6.679 1.00 0.00 H new ATOM 0 HE1 MET A 15 -18.995 2.542 9.702 1.00 0.00 H new ATOM 0 HE2 MET A 15 -20.067 2.330 8.297 1.00 0.00 H new ATOM 0 HE3 MET A 15 -20.538 1.675 9.883 1.00 0.00 H new ATOM 130 N LYS A 16 -23.471 -2.731 8.166 1.00 0.00 N ATOM 131 CA LYS A 16 -24.449 -3.521 8.966 1.00 0.00 C ATOM 132 C LYS A 16 -23.703 -4.533 9.840 1.00 0.00 C ATOM 133 O LYS A 16 -22.723 -5.120 9.427 1.00 0.00 O ATOM 134 CB LYS A 16 -25.395 -4.267 8.025 1.00 0.00 C ATOM 135 CG LYS A 16 -26.285 -3.261 7.293 1.00 0.00 C ATOM 136 CD LYS A 16 -27.365 -4.012 6.513 1.00 0.00 C ATOM 137 CE LYS A 16 -28.180 -3.019 5.683 1.00 0.00 C ATOM 138 NZ LYS A 16 -28.662 -3.687 4.440 1.00 0.00 N ATOM 0 H LYS A 16 -22.752 -3.279 7.694 1.00 0.00 H new ATOM 0 HA LYS A 16 -25.022 -2.845 9.601 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.822 -4.853 7.306 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -26.009 -4.968 8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.745 -2.578 8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.685 -2.655 6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -26.907 -4.756 5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -28.018 -4.549 7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -29.027 -2.653 6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.569 -2.153 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -29.216 -3.012 3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -27.847 -4.016 3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -29.260 -4.500 4.692 1.00 0.00 H new ATOM 139 N ASN A 17 -24.163 -4.743 11.043 1.00 0.00 N ATOM 140 CA ASN A 17 -23.485 -5.720 11.940 1.00 0.00 C ATOM 141 C ASN A 17 -21.985 -5.420 11.983 1.00 0.00 C ATOM 142 O ASN A 17 -21.178 -6.280 12.274 1.00 0.00 O ATOM 143 CB ASN A 17 -23.703 -7.138 11.407 1.00 0.00 C ATOM 144 CG ASN A 17 -25.196 -7.472 11.435 1.00 0.00 C ATOM 145 OD1 ASN A 17 -25.960 -6.833 12.131 1.00 0.00 O ATOM 146 ND2 ASN A 17 -25.648 -8.455 10.703 1.00 0.00 N ATOM 0 H ASN A 17 -24.979 -4.280 11.443 1.00 0.00 H new ATOM 0 HA ASN A 17 -23.901 -5.639 12.944 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -23.321 -7.218 10.389 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -23.148 -7.855 12.013 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -26.642 -8.686 10.716 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -25.007 -8.992 10.118 1.00 0.00 H new ATOM 147 N GLY A 18 -21.604 -4.206 11.689 1.00 0.00 N ATOM 148 CA GLY A 18 -20.156 -3.856 11.708 1.00 0.00 C ATOM 149 C GLY A 18 -19.515 -4.320 10.400 1.00 0.00 C ATOM 150 O GLY A 18 -18.346 -4.650 10.349 1.00 0.00 O ATOM 0 H GLY A 18 -22.232 -3.443 11.437 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -20.030 -2.780 11.828 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.665 -4.331 12.557 1.00 0.00 H new ATOM 151 N LYS A 19 -20.277 -4.352 9.342 1.00 0.00 N ATOM 152 CA LYS A 19 -19.724 -4.796 8.034 1.00 0.00 C ATOM 153 C LYS A 19 -20.241 -3.876 6.928 1.00 0.00 C ATOM 154 O LYS A 19 -21.385 -3.468 6.930 1.00 0.00 O ATOM 155 CB LYS A 19 -20.174 -6.232 7.758 1.00 0.00 C ATOM 156 CG LYS A 19 -19.224 -6.881 6.748 1.00 0.00 C ATOM 157 CD LYS A 19 -19.999 -7.251 5.481 1.00 0.00 C ATOM 158 CE LYS A 19 -19.251 -8.356 4.730 1.00 0.00 C ATOM 159 NZ LYS A 19 -20.076 -9.599 4.722 1.00 0.00 N ATOM 0 H LYS A 19 -21.262 -4.089 9.328 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.635 -4.754 8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.183 -6.806 8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.193 -6.237 7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.413 -6.195 6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.769 -7.771 7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.002 -7.588 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.113 -6.375 4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.042 -8.039 3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.290 -8.548 5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.754 -10.224 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.975 -10.089 5.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.075 -9.352 4.571 1.00 0.00 H new ATOM 160 N LEU A 20 -19.407 -3.544 5.982 1.00 0.00 N ATOM 161 CA LEU A 20 -19.850 -2.648 4.879 1.00 0.00 C ATOM 162 C LEU A 20 -20.501 -3.479 3.771 1.00 0.00 C ATOM 163 O LEU A 20 -19.830 -4.131 2.995 1.00 0.00 O ATOM 164 CB LEU A 20 -18.642 -1.896 4.317 1.00 0.00 C ATOM 165 CG LEU A 20 -19.077 -1.056 3.115 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.833 0.180 3.604 1.00 0.00 C ATOM 167 CD2 LEU A 20 -17.841 -0.618 2.326 1.00 0.00 C ATOM 0 H LEU A 20 -18.437 -3.855 5.926 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.576 -1.931 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.210 -1.254 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.867 -2.602 4.019 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.728 -1.650 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.143 0.779 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.713 -0.131 4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.182 0.774 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.150 -0.019 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.191 -0.024 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.301 -1.498 1.978 1.00 0.00 H new ATOM 168 N PHE A 21 -21.804 -3.462 3.690 1.00 0.00 N ATOM 169 CA PHE A 21 -22.497 -4.250 2.631 1.00 0.00 C ATOM 170 C PHE A 21 -22.679 -3.376 1.389 1.00 0.00 C ATOM 171 O PHE A 21 -23.453 -2.440 1.384 1.00 0.00 O ATOM 172 CB PHE A 21 -23.867 -4.701 3.143 1.00 0.00 C ATOM 173 CG PHE A 21 -23.688 -5.854 4.103 1.00 0.00 C ATOM 174 CD1 PHE A 21 -23.652 -7.169 3.623 1.00 0.00 C ATOM 175 CD2 PHE A 21 -23.557 -5.607 5.475 1.00 0.00 C ATOM 176 CE1 PHE A 21 -23.485 -8.236 4.513 1.00 0.00 C ATOM 177 CE2 PHE A 21 -23.391 -6.674 6.367 1.00 0.00 C ATOM 178 CZ PHE A 21 -23.354 -7.988 5.885 1.00 0.00 C ATOM 0 H PHE A 21 -22.419 -2.936 4.312 1.00 0.00 H new ATOM 0 HA PHE A 21 -21.900 -5.126 2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.372 -3.873 3.641 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -24.498 -5.003 2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.753 -7.360 2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -23.584 -4.593 5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -23.457 -9.250 4.142 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -23.292 -6.483 7.425 1.00 0.00 H new ATOM 0 HZ PHE A 21 -23.224 -8.811 6.572 1.00 0.00 H new ATOM 179 N CYS A 22 -21.970 -3.673 0.335 1.00 0.00 N ATOM 180 CA CYS A 22 -22.098 -2.859 -0.905 1.00 0.00 C ATOM 181 C CYS A 22 -23.554 -2.860 -1.376 1.00 0.00 C ATOM 182 O CYS A 22 -24.201 -3.888 -1.428 1.00 0.00 O ATOM 183 CB CYS A 22 -21.207 -3.451 -2.000 1.00 0.00 C ATOM 184 SG CYS A 22 -19.469 -3.323 -1.509 1.00 0.00 S ATOM 0 H CYS A 22 -21.307 -4.446 0.280 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.787 -1.835 -0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -21.470 -4.495 -2.172 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -21.369 -2.923 -2.939 1.00 0.00 H new ATOM 185 N PRO A 23 -24.072 -1.675 -1.729 1.00 0.00 N ATOM 186 CA PRO A 23 -25.451 -1.519 -2.205 1.00 0.00 C ATOM 187 C PRO A 23 -25.637 -2.122 -3.599 1.00 0.00 C ATOM 188 O PRO A 23 -24.705 -2.218 -4.372 1.00 0.00 O ATOM 189 CB PRO A 23 -25.641 -0.003 -2.264 1.00 0.00 C ATOM 190 CG PRO A 23 -24.262 0.541 -2.432 1.00 0.00 C ATOM 191 CD PRO A 23 -23.348 -0.394 -1.691 1.00 0.00 C ATOM 0 HA PRO A 23 -26.168 -2.026 -1.559 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -26.285 0.284 -3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -26.108 0.374 -1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -23.991 0.596 -3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -24.191 1.552 -2.032 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -22.373 -0.469 -2.172 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -23.174 -0.060 -0.668 1.00 0.00 H new ATOM 192 N GLN A 24 -26.831 -2.531 -3.929 1.00 0.00 N ATOM 193 CA GLN A 24 -27.066 -3.129 -5.274 1.00 0.00 C ATOM 194 C GLN A 24 -27.647 -2.068 -6.212 1.00 0.00 C ATOM 195 O GLN A 24 -28.163 -2.377 -7.268 1.00 0.00 O ATOM 196 CB GLN A 24 -28.048 -4.294 -5.151 1.00 0.00 C ATOM 197 CG GLN A 24 -27.495 -5.321 -4.161 1.00 0.00 C ATOM 198 CD GLN A 24 -28.574 -6.358 -3.848 1.00 0.00 C ATOM 199 OE1 GLN A 24 -29.743 -6.128 -4.088 1.00 0.00 O ATOM 200 NE2 GLN A 24 -28.230 -7.499 -3.317 1.00 0.00 N ATOM 0 H GLN A 24 -27.653 -2.477 -3.327 1.00 0.00 H new ATOM 0 HA GLN A 24 -26.121 -3.492 -5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -29.019 -3.932 -4.812 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -28.203 -4.758 -6.125 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -26.616 -5.810 -4.581 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -27.176 -4.824 -3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -27.249 -7.693 -3.115 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -28.942 -8.197 -3.104 1.00 0.00 H new ATOM 201 N ASP A 25 -27.565 -0.821 -5.837 1.00 0.00 N ATOM 202 CA ASP A 25 -28.112 0.256 -6.709 1.00 0.00 C ATOM 203 C ASP A 25 -27.423 0.204 -8.074 1.00 0.00 C ATOM 204 O ASP A 25 -26.359 -0.365 -8.223 1.00 0.00 O ATOM 205 CB ASP A 25 -27.855 1.617 -6.059 1.00 0.00 C ATOM 206 CG ASP A 25 -26.352 1.802 -5.839 1.00 0.00 C ATOM 207 OD1 ASP A 25 -25.593 1.003 -6.365 1.00 0.00 O ATOM 208 OD2 ASP A 25 -25.985 2.739 -5.150 1.00 0.00 O ATOM 0 H ASP A 25 -27.143 -0.502 -4.965 1.00 0.00 H new ATOM 0 HA ASP A 25 -29.185 0.112 -6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -28.241 2.414 -6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -28.383 1.683 -5.108 1.00 0.00 H new ATOM 209 N LYS A 26 -28.020 0.793 -9.074 1.00 0.00 N ATOM 210 CA LYS A 26 -27.398 0.778 -10.426 1.00 0.00 C ATOM 211 C LYS A 26 -26.659 2.096 -10.664 1.00 0.00 C ATOM 212 O LYS A 26 -26.224 2.387 -11.759 1.00 0.00 O ATOM 213 CB LYS A 26 -28.486 0.606 -11.488 1.00 0.00 C ATOM 214 CG LYS A 26 -29.177 -0.745 -11.296 1.00 0.00 C ATOM 215 CD LYS A 26 -30.202 -0.957 -12.412 1.00 0.00 C ATOM 216 CE LYS A 26 -30.968 -2.258 -12.162 1.00 0.00 C ATOM 217 NZ LYS A 26 -30.260 -3.387 -12.828 1.00 0.00 N ATOM 0 H LYS A 26 -28.912 1.284 -9.012 1.00 0.00 H new ATOM 0 HA LYS A 26 -26.693 -0.051 -10.490 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.214 1.413 -11.412 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -28.049 0.664 -12.485 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -28.440 -1.548 -11.308 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -29.669 -0.779 -10.324 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -30.895 -0.116 -12.448 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -29.700 -0.998 -13.378 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -31.048 -2.446 -11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -31.984 -2.174 -12.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -30.780 -4.271 -12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -30.206 -3.208 -13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -29.299 -3.471 -12.440 1.00 0.00 H new ATOM 218 N LYS A 27 -26.513 2.897 -9.643 1.00 0.00 N ATOM 219 CA LYS A 27 -25.801 4.194 -9.813 1.00 0.00 C ATOM 220 C LYS A 27 -24.401 3.935 -10.372 1.00 0.00 C ATOM 221 O LYS A 27 -23.677 3.088 -9.888 1.00 0.00 O ATOM 222 CB LYS A 27 -25.693 4.898 -8.459 1.00 0.00 C ATOM 223 CG LYS A 27 -27.054 5.493 -8.088 1.00 0.00 C ATOM 224 CD LYS A 27 -27.231 5.453 -6.568 1.00 0.00 C ATOM 225 CE LYS A 27 -26.749 6.773 -5.965 1.00 0.00 C ATOM 226 NZ LYS A 27 -25.287 6.927 -6.213 1.00 0.00 N ATOM 0 H LYS A 27 -26.856 2.709 -8.701 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.356 4.828 -10.505 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -25.371 4.192 -7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.940 5.684 -8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -27.124 6.520 -8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -27.853 4.932 -8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -28.279 5.287 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.667 4.621 -6.147 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -27.294 7.607 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -26.951 6.791 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -24.876 7.551 -5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -24.827 5.995 -6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -25.136 7.343 -7.154 1.00 0.00 H new ATOM 227 N PRO A 28 -24.022 4.679 -11.421 1.00 0.00 N ATOM 228 CA PRO A 28 -22.710 4.531 -12.064 1.00 0.00 C ATOM 229 C PRO A 28 -21.577 5.075 -11.189 1.00 0.00 C ATOM 230 O PRO A 28 -21.536 6.245 -10.866 1.00 0.00 O ATOM 231 CB PRO A 28 -22.837 5.374 -13.332 1.00 0.00 C ATOM 232 CG PRO A 28 -23.888 6.384 -13.013 1.00 0.00 C ATOM 233 CD PRO A 28 -24.844 5.721 -12.060 1.00 0.00 C ATOM 0 HA PRO A 28 -22.464 3.485 -12.250 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.891 5.853 -13.585 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -23.123 4.762 -14.187 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.447 7.274 -12.563 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -24.403 6.706 -13.918 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.237 6.427 -11.329 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.700 5.293 -12.582 1.00 0.00 H new ATOM 234 N ILE A 29 -20.654 4.234 -10.811 1.00 0.00 N ATOM 235 CA ILE A 29 -19.520 4.702 -9.967 1.00 0.00 C ATOM 236 C ILE A 29 -18.209 4.495 -10.730 1.00 0.00 C ATOM 237 O ILE A 29 -18.185 3.920 -11.800 1.00 0.00 O ATOM 238 CB ILE A 29 -19.464 3.912 -8.648 1.00 0.00 C ATOM 239 CG1 ILE A 29 -20.254 2.606 -8.777 1.00 0.00 C ATOM 240 CG2 ILE A 29 -20.056 4.757 -7.515 1.00 0.00 C ATOM 241 CD1 ILE A 29 -19.444 1.604 -9.600 1.00 0.00 C ATOM 0 H ILE A 29 -20.637 3.243 -11.051 1.00 0.00 H new ATOM 0 HA ILE A 29 -19.664 5.758 -9.739 1.00 0.00 H new ATOM 0 HB ILE A 29 -18.424 3.677 -8.424 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -20.465 2.196 -7.789 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -21.215 2.795 -9.256 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -20.015 4.195 -6.582 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.482 5.678 -7.409 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -21.093 5.001 -7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.004 0.673 -9.694 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.256 2.016 -10.592 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -18.494 1.408 -9.102 1.00 0.00 H new ATOM 242 N GLN A 30 -17.120 4.954 -10.182 1.00 0.00 N ATOM 243 CA GLN A 30 -15.808 4.781 -10.864 1.00 0.00 C ATOM 244 C GLN A 30 -14.719 4.651 -9.801 1.00 0.00 C ATOM 245 O GLN A 30 -14.532 5.529 -8.982 1.00 0.00 O ATOM 246 CB GLN A 30 -15.528 5.997 -11.747 1.00 0.00 C ATOM 247 CG GLN A 30 -14.178 5.826 -12.443 1.00 0.00 C ATOM 248 CD GLN A 30 -13.973 6.972 -13.436 1.00 0.00 C ATOM 249 OE1 GLN A 30 -14.804 7.852 -13.544 1.00 0.00 O ATOM 250 NE2 GLN A 30 -12.895 6.998 -14.170 1.00 0.00 N ATOM 0 H GLN A 30 -17.082 5.443 -9.288 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.824 3.887 -11.487 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.319 6.110 -12.488 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.525 6.904 -11.143 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -13.374 5.819 -11.707 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -14.142 4.868 -12.963 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.198 6.259 -14.079 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -12.749 7.757 -14.835 1.00 0.00 H new ATOM 251 N SER A 31 -14.011 3.557 -9.790 1.00 0.00 N ATOM 252 CA SER A 31 -12.955 3.372 -8.758 1.00 0.00 C ATOM 253 C SER A 31 -11.686 4.128 -9.141 1.00 0.00 C ATOM 254 O SER A 31 -11.397 4.351 -10.300 1.00 0.00 O ATOM 255 CB SER A 31 -12.632 1.891 -8.625 1.00 0.00 C ATOM 256 OG SER A 31 -12.195 1.619 -7.302 1.00 0.00 O ATOM 0 H SER A 31 -14.117 2.786 -10.449 1.00 0.00 H new ATOM 0 HA SER A 31 -13.325 3.763 -7.810 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.513 1.293 -8.858 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.858 1.611 -9.340 1.00 0.00 H new ATOM 0 HG SER A 31 -12.695 0.856 -6.943 1.00 0.00 H new ATOM 257 N LEU A 32 -10.923 4.510 -8.157 1.00 0.00 N ATOM 258 CA LEU A 32 -9.656 5.242 -8.416 1.00 0.00 C ATOM 259 C LEU A 32 -8.520 4.224 -8.485 1.00 0.00 C ATOM 260 O LEU A 32 -7.448 4.498 -8.986 1.00 0.00 O ATOM 261 CB LEU A 32 -9.392 6.213 -7.263 1.00 0.00 C ATOM 262 CG LEU A 32 -10.465 7.305 -7.244 1.00 0.00 C ATOM 263 CD1 LEU A 32 -11.838 6.686 -6.979 1.00 0.00 C ATOM 264 CD2 LEU A 32 -10.149 8.302 -6.129 1.00 0.00 C ATOM 0 H LEU A 32 -11.127 4.343 -7.172 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.724 5.798 -9.351 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.392 5.674 -6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.405 6.663 -7.374 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.476 7.810 -8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.595 7.470 -6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.071 5.968 -7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.828 6.177 -6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.910 9.082 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.138 7.784 -5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.173 8.752 -6.309 1.00 0.00 H new ATOM 265 N ASP A 33 -8.756 3.046 -7.976 1.00 0.00 N ATOM 266 CA ASP A 33 -7.705 1.992 -7.997 1.00 0.00 C ATOM 267 C ASP A 33 -7.514 1.489 -9.430 1.00 0.00 C ATOM 268 O ASP A 33 -6.637 0.696 -9.708 1.00 0.00 O ATOM 269 CB ASP A 33 -8.137 0.829 -7.102 1.00 0.00 C ATOM 270 CG ASP A 33 -8.386 1.345 -5.684 1.00 0.00 C ATOM 271 OD1 ASP A 33 -7.811 2.363 -5.335 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.147 0.714 -4.970 1.00 0.00 O ATOM 0 H ASP A 33 -9.637 2.768 -7.544 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.766 2.406 -7.630 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.042 0.368 -7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.366 0.059 -7.090 1.00 0.00 H new ATOM 273 N GLY A 34 -8.332 1.941 -10.342 1.00 0.00 N ATOM 274 CA GLY A 34 -8.202 1.486 -11.756 1.00 0.00 C ATOM 275 C GLY A 34 -9.260 0.420 -12.042 1.00 0.00 C ATOM 276 O GLY A 34 -9.138 -0.361 -12.965 1.00 0.00 O ATOM 0 H GLY A 34 -9.085 2.606 -10.169 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.326 2.330 -12.435 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.205 1.081 -11.930 1.00 0.00 H new ATOM 277 N ILE A 35 -10.300 0.382 -11.255 1.00 0.00 N ATOM 278 CA ILE A 35 -11.369 -0.633 -11.476 1.00 0.00 C ATOM 279 C ILE A 35 -12.717 0.081 -11.639 1.00 0.00 C ATOM 280 O ILE A 35 -12.957 1.111 -11.043 1.00 0.00 O ATOM 281 CB ILE A 35 -11.421 -1.576 -10.269 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.638 -0.752 -8.996 1.00 0.00 C ATOM 283 CG2 ILE A 35 -10.098 -2.342 -10.172 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.364 -1.604 -7.757 1.00 0.00 C ATOM 0 H ILE A 35 -10.456 1.011 -10.467 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.157 -1.209 -12.376 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.241 -2.285 -10.385 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.980 0.117 -9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.661 -0.377 -8.968 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.129 -3.015 -9.315 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.945 -2.921 -11.083 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.277 -1.636 -10.049 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.522 -1.004 -6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.041 -2.459 -7.746 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.333 -1.958 -7.779 1.00 0.00 H new ATOM 285 N MET A 36 -13.597 -0.453 -12.442 1.00 0.00 N ATOM 286 CA MET A 36 -14.924 0.203 -12.637 1.00 0.00 C ATOM 287 C MET A 36 -15.917 -0.347 -11.612 1.00 0.00 C ATOM 288 O MET A 36 -17.107 -0.397 -11.851 1.00 0.00 O ATOM 289 CB MET A 36 -15.438 -0.091 -14.049 1.00 0.00 C ATOM 290 CG MET A 36 -14.580 0.653 -15.074 1.00 0.00 C ATOM 291 SD MET A 36 -15.248 0.380 -16.734 1.00 0.00 S ATOM 292 CE MET A 36 -16.799 1.286 -16.512 1.00 0.00 C ATOM 0 H MET A 36 -13.456 -1.314 -12.971 1.00 0.00 H new ATOM 0 HA MET A 36 -14.819 1.280 -12.505 1.00 0.00 H new ATOM 0 HB2 MET A 36 -15.405 -1.163 -14.243 1.00 0.00 H new ATOM 0 HB3 MET A 36 -16.479 0.218 -14.139 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.566 1.719 -14.847 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.549 0.303 -15.023 1.00 0.00 H new ATOM 0 HE1 MET A 36 -17.041 1.823 -17.429 1.00 0.00 H new ATOM 0 HE2 MET A 36 -17.600 0.584 -16.280 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.691 1.997 -15.693 1.00 0.00 H new ATOM 293 N PHE A 37 -15.436 -0.762 -10.474 1.00 0.00 N ATOM 294 CA PHE A 37 -16.347 -1.315 -9.434 1.00 0.00 C ATOM 295 C PHE A 37 -16.786 -0.197 -8.486 1.00 0.00 C ATOM 296 O PHE A 37 -16.166 0.846 -8.412 1.00 0.00 O ATOM 297 CB PHE A 37 -15.606 -2.387 -8.636 1.00 0.00 C ATOM 298 CG PHE A 37 -16.456 -2.812 -7.462 1.00 0.00 C ATOM 299 CD1 PHE A 37 -16.408 -2.089 -6.265 1.00 0.00 C ATOM 300 CD2 PHE A 37 -17.296 -3.928 -7.573 1.00 0.00 C ATOM 301 CE1 PHE A 37 -17.196 -2.481 -5.178 1.00 0.00 C ATOM 302 CE2 PHE A 37 -18.086 -4.319 -6.486 1.00 0.00 C ATOM 303 CZ PHE A 37 -18.036 -3.596 -5.287 1.00 0.00 C ATOM 0 H PHE A 37 -14.449 -0.742 -10.219 1.00 0.00 H new ATOM 0 HA PHE A 37 -17.224 -1.749 -9.914 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -15.389 -3.245 -9.272 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -14.649 -2.000 -8.286 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -15.762 -1.228 -6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -17.334 -4.486 -8.497 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -17.157 -1.923 -4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -18.734 -5.178 -6.571 1.00 0.00 H new ATOM 0 HZ PHE A 37 -18.645 -3.898 -4.448 1.00 0.00 H new ATOM 304 N ILE A 38 -17.847 -0.408 -7.756 1.00 0.00 N ATOM 305 CA ILE A 38 -18.317 0.643 -6.809 1.00 0.00 C ATOM 306 C ILE A 38 -17.116 1.194 -6.043 1.00 0.00 C ATOM 307 O ILE A 38 -16.632 0.587 -5.109 1.00 0.00 O ATOM 308 CB ILE A 38 -19.316 0.039 -5.818 1.00 0.00 C ATOM 309 CG1 ILE A 38 -20.464 -0.627 -6.580 1.00 0.00 C ATOM 310 CG2 ILE A 38 -19.876 1.146 -4.923 1.00 0.00 C ATOM 311 CD1 ILE A 38 -21.433 -1.265 -5.582 1.00 0.00 C ATOM 0 H ILE A 38 -18.407 -1.260 -7.774 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.804 1.444 -7.366 1.00 0.00 H new ATOM 0 HB ILE A 38 -18.809 -0.707 -5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -20.986 0.110 -7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -20.073 -1.384 -7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -20.587 0.718 -4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -19.061 1.618 -4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -20.380 1.892 -5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -22.252 -1.740 -6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -20.906 -2.014 -4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -21.833 -0.496 -4.921 1.00 0.00 H new ATOM 312 N ASN A 39 -16.624 2.336 -6.436 1.00 0.00 N ATOM 313 CA ASN A 39 -15.447 2.917 -5.732 1.00 0.00 C ATOM 314 C ASN A 39 -15.768 3.125 -4.256 1.00 0.00 C ATOM 315 O ASN A 39 -15.085 2.625 -3.388 1.00 0.00 O ATOM 316 CB ASN A 39 -15.091 4.268 -6.346 1.00 0.00 C ATOM 317 CG ASN A 39 -13.752 4.737 -5.767 1.00 0.00 C ATOM 318 OD1 ASN A 39 -13.623 5.866 -5.338 1.00 0.00 O ATOM 319 ND2 ASN A 39 -12.743 3.906 -5.735 1.00 0.00 N ATOM 0 H ASN A 39 -16.985 2.891 -7.212 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.609 2.227 -5.834 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -15.024 4.184 -7.431 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.872 4.998 -6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.847 4.206 -5.350 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.852 2.958 -6.095 1.00 0.00 H new ATOM 320 N LYS A 40 -16.789 3.879 -3.965 1.00 0.00 N ATOM 321 CA LYS A 40 -17.139 4.141 -2.546 1.00 0.00 C ATOM 322 C LYS A 40 -17.032 2.852 -1.734 1.00 0.00 C ATOM 323 O LYS A 40 -16.281 2.768 -0.790 1.00 0.00 O ATOM 324 CB LYS A 40 -18.565 4.688 -2.467 1.00 0.00 C ATOM 325 CG LYS A 40 -18.699 5.902 -3.389 1.00 0.00 C ATOM 326 CD LYS A 40 -20.058 6.567 -3.162 1.00 0.00 C ATOM 327 CE LYS A 40 -20.247 7.699 -4.173 1.00 0.00 C ATOM 328 NZ LYS A 40 -21.686 7.796 -4.549 1.00 0.00 N ATOM 0 H LYS A 40 -17.397 4.326 -4.652 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.446 4.874 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.278 3.917 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.801 4.970 -1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.897 6.613 -3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.602 5.594 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.856 5.833 -3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.118 6.958 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.908 8.643 -3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.640 7.514 -5.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.814 8.566 -5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.995 6.898 -4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.254 7.992 -3.700 1.00 0.00 H new ATOM 329 N CYS A 41 -17.777 1.852 -2.087 1.00 0.00 N ATOM 330 CA CYS A 41 -17.714 0.574 -1.320 1.00 0.00 C ATOM 331 C CYS A 41 -16.302 -0.015 -1.383 1.00 0.00 C ATOM 332 O CYS A 41 -15.815 -0.587 -0.427 1.00 0.00 O ATOM 333 CB CYS A 41 -18.693 -0.426 -1.927 1.00 0.00 C ATOM 334 SG CYS A 41 -19.324 -1.512 -0.624 1.00 0.00 S ATOM 0 H CYS A 41 -18.428 1.858 -2.872 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.974 0.774 -0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -19.517 0.101 -2.408 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -18.197 -1.015 -2.699 1.00 0.00 H new ATOM 335 N ALA A 42 -15.654 0.096 -2.506 1.00 0.00 N ATOM 336 CA ALA A 42 -14.284 -0.484 -2.641 1.00 0.00 C ATOM 337 C ALA A 42 -13.240 0.387 -1.931 1.00 0.00 C ATOM 338 O ALA A 42 -12.243 -0.112 -1.447 1.00 0.00 O ATOM 339 CB ALA A 42 -13.923 -0.591 -4.122 1.00 0.00 C ATOM 0 H ALA A 42 -16.011 0.563 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.284 -1.471 -2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.924 -1.014 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.643 -1.236 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.945 0.400 -4.574 1.00 0.00 H new ATOM 340 N THR A 43 -13.436 1.676 -1.869 1.00 0.00 N ATOM 341 CA THR A 43 -12.422 2.539 -1.196 1.00 0.00 C ATOM 342 C THR A 43 -12.913 2.920 0.202 1.00 0.00 C ATOM 343 O THR A 43 -12.133 3.074 1.122 1.00 0.00 O ATOM 344 CB THR A 43 -12.191 3.804 -2.028 1.00 0.00 C ATOM 345 OG1 THR A 43 -13.391 4.145 -2.709 1.00 0.00 O ATOM 346 CG2 THR A 43 -11.074 3.551 -3.048 1.00 0.00 C ATOM 0 H THR A 43 -14.245 2.166 -2.251 1.00 0.00 H new ATOM 0 HA THR A 43 -11.484 1.991 -1.107 1.00 0.00 H new ATOM 0 HB THR A 43 -11.900 4.624 -1.372 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.626 3.430 -3.336 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.911 4.452 -3.639 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.155 3.289 -2.524 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.362 2.732 -3.707 1.00 0.00 H new ATOM 347 N CYS A 44 -14.197 3.065 0.372 1.00 0.00 N ATOM 348 CA CYS A 44 -14.739 3.428 1.711 1.00 0.00 C ATOM 349 C CYS A 44 -14.407 2.316 2.705 1.00 0.00 C ATOM 350 O CYS A 44 -14.290 2.548 3.888 1.00 0.00 O ATOM 351 CB CYS A 44 -16.258 3.595 1.623 1.00 0.00 C ATOM 352 SG CYS A 44 -16.938 3.957 3.262 1.00 0.00 S ATOM 0 H CYS A 44 -14.897 2.947 -0.361 1.00 0.00 H new ATOM 0 HA CYS A 44 -14.292 4.365 2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.504 4.401 0.932 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.710 2.686 1.226 1.00 0.00 H new ATOM 353 N LYS A 45 -14.252 1.108 2.232 1.00 0.00 N ATOM 354 CA LYS A 45 -13.926 -0.013 3.159 1.00 0.00 C ATOM 355 C LYS A 45 -12.667 0.341 3.953 1.00 0.00 C ATOM 356 O LYS A 45 -12.640 0.248 5.163 1.00 0.00 O ATOM 357 CB LYS A 45 -13.684 -1.291 2.354 1.00 0.00 C ATOM 358 CG LYS A 45 -13.769 -2.505 3.282 1.00 0.00 C ATOM 359 CD LYS A 45 -13.466 -3.776 2.487 1.00 0.00 C ATOM 360 CE LYS A 45 -13.304 -4.954 3.450 1.00 0.00 C ATOM 361 NZ LYS A 45 -13.958 -6.162 2.871 1.00 0.00 N ATOM 0 H LYS A 45 -14.337 0.850 1.249 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.757 -0.174 3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.423 -1.377 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.705 -1.253 1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.060 -2.399 4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.763 -2.569 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.272 -3.977 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.556 -3.643 1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.247 -5.150 3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.750 -4.713 4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.848 -6.963 3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.970 -5.972 2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.513 -6.395 1.960 1.00 0.00 H new ATOM 362 N MET A 46 -11.630 0.759 3.281 1.00 0.00 N ATOM 363 CA MET A 46 -10.383 1.132 4.000 1.00 0.00 C ATOM 364 C MET A 46 -10.626 2.438 4.753 1.00 0.00 C ATOM 365 O MET A 46 -10.240 2.593 5.895 1.00 0.00 O ATOM 366 CB MET A 46 -9.246 1.322 2.994 1.00 0.00 C ATOM 367 CG MET A 46 -8.981 -0.001 2.271 1.00 0.00 C ATOM 368 SD MET A 46 -7.639 0.221 1.079 1.00 0.00 S ATOM 369 CE MET A 46 -7.651 -1.460 0.412 1.00 0.00 C ATOM 0 H MET A 46 -11.594 0.858 2.266 1.00 0.00 H new ATOM 0 HA MET A 46 -10.108 0.344 4.701 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.509 2.097 2.274 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.344 1.656 3.507 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.717 -0.775 2.992 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.884 -0.336 1.760 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.884 -1.552 -0.357 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.448 -2.171 1.213 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.628 -1.672 -0.022 1.00 0.00 H new ATOM 370 N ILE A 47 -11.277 3.376 4.122 1.00 0.00 N ATOM 371 CA ILE A 47 -11.563 4.668 4.799 1.00 0.00 C ATOM 372 C ILE A 47 -12.524 4.413 5.964 1.00 0.00 C ATOM 373 O ILE A 47 -12.600 5.183 6.900 1.00 0.00 O ATOM 374 CB ILE A 47 -12.203 5.636 3.800 1.00 0.00 C ATOM 375 CG1 ILE A 47 -11.314 5.751 2.561 1.00 0.00 C ATOM 376 CG2 ILE A 47 -12.355 7.014 4.445 1.00 0.00 C ATOM 377 CD1 ILE A 47 -12.014 6.616 1.510 1.00 0.00 C ATOM 0 H ILE A 47 -11.623 3.302 3.165 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.638 5.105 5.175 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.185 5.260 3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.354 6.191 2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.108 4.761 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.811 7.701 3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.989 6.934 5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.374 7.390 4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.381 6.699 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.963 6.157 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.197 7.609 1.919 1.00 0.00 H new ATOM 378 N LEU A 48 -13.251 3.327 5.915 1.00 0.00 N ATOM 379 CA LEU A 48 -14.197 3.013 7.022 1.00 0.00 C ATOM 380 C LEU A 48 -13.393 2.718 8.287 1.00 0.00 C ATOM 381 O LEU A 48 -13.796 3.050 9.384 1.00 0.00 O ATOM 382 CB LEU A 48 -15.031 1.778 6.652 1.00 0.00 C ATOM 383 CG LEU A 48 -16.390 1.820 7.365 1.00 0.00 C ATOM 384 CD1 LEU A 48 -16.220 2.346 8.794 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.346 2.736 6.594 1.00 0.00 C ATOM 0 H LEU A 48 -13.229 2.646 5.156 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.862 3.860 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.180 1.741 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.494 0.871 6.931 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.801 0.811 7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.190 2.372 9.290 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.547 1.689 9.346 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.801 3.352 8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.310 2.765 7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.929 3.742 6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.480 2.353 5.582 1.00 0.00 H new ATOM 386 N GLU A 49 -12.255 2.095 8.139 1.00 0.00 N ATOM 387 CA GLU A 49 -11.419 1.778 9.331 1.00 0.00 C ATOM 388 C GLU A 49 -10.877 3.075 9.934 1.00 0.00 C ATOM 389 O GLU A 49 -10.647 3.169 11.123 1.00 0.00 O ATOM 390 CB GLU A 49 -10.249 0.885 8.910 1.00 0.00 C ATOM 391 CG GLU A 49 -10.787 -0.436 8.358 1.00 0.00 C ATOM 392 CD GLU A 49 -9.617 -1.332 7.950 1.00 0.00 C ATOM 393 OE1 GLU A 49 -8.502 -0.838 7.917 1.00 0.00 O ATOM 394 OE2 GLU A 49 -9.854 -2.497 7.678 1.00 0.00 O ATOM 0 H GLU A 49 -11.869 1.792 7.245 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.026 1.258 10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.647 1.389 8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.597 0.696 9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.396 -0.936 9.111 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.432 -0.248 7.499 1.00 0.00 H new ATOM 395 N LYS A 50 -10.674 4.077 9.124 1.00 0.00 N ATOM 396 CA LYS A 50 -10.149 5.368 9.651 1.00 0.00 C ATOM 397 C LYS A 50 -11.145 5.948 10.657 1.00 0.00 C ATOM 398 O LYS A 50 -10.768 6.559 11.638 1.00 0.00 O ATOM 399 CB LYS A 50 -9.956 6.352 8.496 1.00 0.00 C ATOM 400 CG LYS A 50 -8.858 5.836 7.564 1.00 0.00 C ATOM 401 CD LYS A 50 -8.565 6.886 6.491 1.00 0.00 C ATOM 402 CE LYS A 50 -7.571 6.315 5.477 1.00 0.00 C ATOM 403 NZ LYS A 50 -6.485 7.308 5.234 1.00 0.00 N ATOM 0 H LYS A 50 -10.849 4.058 8.119 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.192 5.198 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.889 6.470 7.945 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.687 7.335 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.954 5.621 8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.171 4.902 7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.488 7.175 5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.156 7.786 6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.149 5.382 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.081 6.082 4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.809 6.921 4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.896 8.187 4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.992 7.509 6.127 1.00 0.00 H new ATOM 404 N GLU A 51 -12.416 5.762 10.423 1.00 0.00 N ATOM 405 CA GLU A 51 -13.433 6.303 11.367 1.00 0.00 C ATOM 406 C GLU A 51 -13.178 5.740 12.766 1.00 0.00 C ATOM 407 O GLU A 51 -13.443 6.383 13.763 1.00 0.00 O ATOM 408 CB GLU A 51 -14.831 5.893 10.898 1.00 0.00 C ATOM 409 CG GLU A 51 -15.883 6.566 11.781 1.00 0.00 C ATOM 410 CD GLU A 51 -17.275 6.064 11.390 1.00 0.00 C ATOM 411 OE1 GLU A 51 -17.354 5.231 10.501 1.00 0.00 O ATOM 412 OE2 GLU A 51 -18.237 6.520 11.984 1.00 0.00 O ATOM 0 H GLU A 51 -12.793 5.259 9.620 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.364 7.390 11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.976 6.182 9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.939 4.809 10.947 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.687 6.346 12.830 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.830 7.649 11.667 1.00 0.00 H new ATOM 413 N ALA A 52 -12.666 4.543 12.849 1.00 0.00 N ATOM 414 CA ALA A 52 -12.392 3.941 14.184 1.00 0.00 C ATOM 415 C ALA A 52 -11.337 4.776 14.913 1.00 0.00 C ATOM 416 O ALA A 52 -11.295 4.819 16.126 1.00 0.00 O ATOM 417 CB ALA A 52 -11.876 2.512 14.004 1.00 0.00 C ATOM 0 H ALA A 52 -12.426 3.956 12.050 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.311 3.924 14.770 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.676 2.072 14.981 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.627 1.917 13.485 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.957 2.528 13.418 1.00 0.00 H new ATOM 418 N LYS A 53 -10.486 5.441 14.181 1.00 0.00 N ATOM 419 CA LYS A 53 -9.435 6.274 14.831 1.00 0.00 C ATOM 420 C LYS A 53 -10.097 7.418 15.602 1.00 0.00 C ATOM 421 O LYS A 53 -9.603 7.860 16.621 1.00 0.00 O ATOM 422 CB LYS A 53 -8.505 6.850 13.761 1.00 0.00 C ATOM 423 CG LYS A 53 -7.723 5.714 13.099 1.00 0.00 C ATOM 424 CD LYS A 53 -6.696 6.301 12.128 1.00 0.00 C ATOM 425 CE LYS A 53 -6.005 5.167 11.369 1.00 0.00 C ATOM 426 NZ LYS A 53 -4.714 5.657 10.809 1.00 0.00 N ATOM 0 H LYS A 53 -10.473 5.444 13.161 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.857 5.658 15.520 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.085 7.391 13.013 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.817 7.566 14.210 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.221 5.114 13.857 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.405 5.050 12.567 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.187 6.976 11.427 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.959 6.890 12.674 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.827 4.324 12.037 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.649 4.808 10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.244 4.886 10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.896 6.448 10.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.100 5.980 11.584 1.00 0.00 H new ATOM 427 N SER A 54 -11.211 7.900 15.124 1.00 0.00 N ATOM 428 CA SER A 54 -11.905 9.014 15.830 1.00 0.00 C ATOM 429 C SER A 54 -12.309 8.556 17.233 1.00 0.00 C ATOM 430 O SER A 54 -12.426 9.349 18.146 1.00 0.00 O ATOM 431 CB SER A 54 -13.154 9.416 15.045 1.00 0.00 C ATOM 432 OG SER A 54 -14.101 8.358 15.088 1.00 0.00 O ATOM 0 H SER A 54 -11.671 7.571 14.275 1.00 0.00 H new ATOM 0 HA SER A 54 -11.234 9.869 15.907 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.586 10.323 15.468 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.890 9.641 14.011 1.00 0.00 H new ATOM 0 HG SER A 54 -14.044 7.834 14.262 1.00 0.00 H new ATOM 433 N GLN A 55 -12.522 7.281 17.412 1.00 0.00 N ATOM 434 CA GLN A 55 -12.919 6.775 18.756 1.00 0.00 C ATOM 435 C GLN A 55 -11.767 5.965 19.356 1.00 0.00 C ATOM 436 O GLN A 55 -11.710 4.774 19.100 1.00 0.00 O ATOM 437 CB GLN A 55 -14.153 5.881 18.620 1.00 0.00 C ATOM 438 CG GLN A 55 -14.646 5.476 20.011 1.00 0.00 C ATOM 439 CD GLN A 55 -15.792 4.473 19.874 1.00 0.00 C ATOM 440 OE1 GLN A 55 -15.622 3.412 19.308 1.00 0.00 O ATOM 441 NE2 GLN A 55 -16.962 4.766 20.372 1.00 0.00 N ATOM 442 OXT GLN A 55 -10.961 6.551 20.060 1.00 0.00 O ATOM 0 H GLN A 55 -12.438 6.569 16.687 1.00 0.00 H new ATOM 0 HA GLN A 55 -13.150 7.617 19.408 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.941 6.410 18.083 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.910 4.993 18.036 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.830 5.036 20.584 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.982 6.356 20.560 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -17.105 5.657 20.847 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -17.733 4.104 20.286 1.00 0.00 H new TER 443 GLN A 55