USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 ASN : amide:sc= -11.2! C(o=-17!,f=-18!) USER MOD Set 1.2: A 43 THR OG1 : rot 74:sc= -5.38! USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 7 MET CE :methyl -160:sc= -1.86 (180deg=-4.15!) USER MOD Single : A 9 HIS : no HD1:sc= -1.86! C(o=-1.9!,f=-4.6!) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.558 F(o=-1.6,f=-0.56) USER MOD Single : A 15 MET CE :methyl -154:sc= -0.275 (180deg=-1.34!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 19 LYS NZ :NH3+ 155:sc= 0.00285 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= -0.0284 (180deg=-0.319) 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=-0.98) USER MOD Single : A 31 SER OG : rot -65:sc= 0.368 USER MOD Single : A 36 MET CE :methyl -146:sc= -0.209 (180deg=-1.36!) USER MOD Single : A 40 LYS NZ :NH3+ 171:sc= -1.22 (180deg=-1.32) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -139:sc= -1.49 (180deg=-3.83!) USER MOD Single : A 50 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.00798) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N ASN A 2 -9.283 13.745 -0.743 1.00 0.00 N ATOM 11 CA ASN A 2 -10.423 13.994 0.183 1.00 0.00 C ATOM 12 C ASN A 2 -11.738 13.668 -0.527 1.00 0.00 C ATOM 13 O ASN A 2 -12.691 13.226 0.084 1.00 0.00 O ATOM 14 CB ASN A 2 -10.423 15.464 0.608 1.00 0.00 C ATOM 15 CG ASN A 2 -9.140 15.770 1.383 1.00 0.00 C ATOM 16 OD1 ASN A 2 -8.488 14.873 1.880 1.00 0.00 O ATOM 17 ND2 ASN A 2 -8.748 17.008 1.508 1.00 0.00 N ATOM 0 HA ASN A 2 -10.320 13.361 1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.493 16.107 -0.269 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -11.294 15.674 1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.894 17.223 2.023 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -9.295 17.761 1.091 1.00 0.00 H new ATOM 18 N GLU A 3 -11.799 13.881 -1.813 1.00 0.00 N ATOM 19 CA GLU A 3 -13.053 13.582 -2.559 1.00 0.00 C ATOM 20 C GLU A 3 -13.360 12.086 -2.457 1.00 0.00 C ATOM 21 O GLU A 3 -14.504 11.678 -2.428 1.00 0.00 O ATOM 22 CB GLU A 3 -12.879 13.969 -4.029 1.00 0.00 C ATOM 23 CG GLU A 3 -12.738 15.488 -4.142 1.00 0.00 C ATOM 24 CD GLU A 3 -13.984 16.161 -3.562 1.00 0.00 C ATOM 25 OE1 GLU A 3 -14.988 15.483 -3.421 1.00 0.00 O ATOM 26 OE2 GLU A 3 -13.912 17.343 -3.270 1.00 0.00 O ATOM 0 H GLU A 3 -11.034 14.249 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.876 14.153 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.998 13.479 -4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.736 13.628 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.849 15.822 -3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.609 15.775 -5.186 1.00 0.00 H new ATOM 27 N ASP A 4 -12.347 11.266 -2.402 1.00 0.00 N ATOM 28 CA ASP A 4 -12.582 9.798 -2.300 1.00 0.00 C ATOM 29 C ASP A 4 -13.353 9.495 -1.014 1.00 0.00 C ATOM 30 O ASP A 4 -14.101 8.541 -0.937 1.00 0.00 O ATOM 31 CB ASP A 4 -11.239 9.066 -2.272 1.00 0.00 C ATOM 32 CG ASP A 4 -10.449 9.401 -3.540 1.00 0.00 C ATOM 33 OD1 ASP A 4 -11.045 9.933 -4.462 1.00 0.00 O ATOM 34 OD2 ASP A 4 -9.263 9.119 -3.566 1.00 0.00 O ATOM 0 H ASP A 4 -11.367 11.549 -2.423 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.161 9.462 -3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.671 9.359 -1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.400 7.990 -2.205 1.00 0.00 H new ATOM 35 N GLN A 5 -13.177 10.302 -0.004 1.00 0.00 N ATOM 36 CA GLN A 5 -13.900 10.062 1.276 1.00 0.00 C ATOM 37 C GLN A 5 -15.394 10.323 1.073 1.00 0.00 C ATOM 38 O GLN A 5 -16.233 9.698 1.692 1.00 0.00 O ATOM 39 CB GLN A 5 -13.359 11.006 2.351 1.00 0.00 C ATOM 40 CG GLN A 5 -11.901 10.652 2.653 1.00 0.00 C ATOM 41 CD GLN A 5 -11.342 11.631 3.688 1.00 0.00 C ATOM 42 OE1 GLN A 5 -11.926 12.667 3.939 1.00 0.00 O ATOM 43 NE2 GLN A 5 -10.228 11.344 4.305 1.00 0.00 N ATOM 0 H GLN A 5 -12.564 11.117 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.751 9.029 1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -13.431 12.040 2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.959 10.925 3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.834 9.631 3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.308 10.695 1.739 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.738 10.475 4.095 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.848 11.989 4.998 1.00 0.00 H new ATOM 44 N GLU A 6 -15.734 11.241 0.210 1.00 0.00 N ATOM 45 CA GLU A 6 -17.174 11.539 -0.032 1.00 0.00 C ATOM 46 C GLU A 6 -17.886 10.266 -0.494 1.00 0.00 C ATOM 47 O GLU A 6 -18.985 9.969 -0.071 1.00 0.00 O ATOM 48 CB GLU A 6 -17.298 12.614 -1.113 1.00 0.00 C ATOM 49 CG GLU A 6 -16.674 13.918 -0.610 1.00 0.00 C ATOM 50 CD GLU A 6 -16.886 15.018 -1.652 1.00 0.00 C ATOM 51 OE1 GLU A 6 -17.335 14.698 -2.740 1.00 0.00 O ATOM 52 OE2 GLU A 6 -16.595 16.162 -1.344 1.00 0.00 O ATOM 0 H GLU A 6 -15.077 11.797 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.631 11.898 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.798 12.287 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.347 12.773 -1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.126 14.208 0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.609 13.777 -0.426 1.00 0.00 H new ATOM 53 N MET A 7 -17.266 9.512 -1.360 1.00 0.00 N ATOM 54 CA MET A 7 -17.904 8.259 -1.849 1.00 0.00 C ATOM 55 C MET A 7 -18.152 7.321 -0.668 1.00 0.00 C ATOM 56 O MET A 7 -19.083 6.540 -0.666 1.00 0.00 O ATOM 57 CB MET A 7 -16.976 7.574 -2.853 1.00 0.00 C ATOM 58 CG MET A 7 -17.113 8.251 -4.219 1.00 0.00 C ATOM 59 SD MET A 7 -16.037 7.425 -5.419 1.00 0.00 S ATOM 60 CE MET A 7 -14.607 7.195 -4.336 1.00 0.00 C ATOM 0 H MET A 7 -16.345 9.710 -1.750 1.00 0.00 H new ATOM 0 HA MET A 7 -18.852 8.498 -2.332 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.944 7.632 -2.508 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.226 6.516 -2.933 1.00 0.00 H new ATOM 0 HG2 MET A 7 -18.149 8.208 -4.555 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.846 9.305 -4.142 1.00 0.00 H new ATOM 0 HE1 MET A 7 -13.715 7.033 -4.941 1.00 0.00 H new ATOM 0 HE2 MET A 7 -14.471 8.084 -3.720 1.00 0.00 H new ATOM 0 HE3 MET A 7 -14.772 6.330 -3.694 1.00 0.00 H new ATOM 61 N CYS A 8 -17.325 7.390 0.337 1.00 0.00 N ATOM 62 CA CYS A 8 -17.513 6.502 1.516 1.00 0.00 C ATOM 63 C CYS A 8 -18.674 7.022 2.364 1.00 0.00 C ATOM 64 O CYS A 8 -19.247 6.302 3.157 1.00 0.00 O ATOM 65 CB CYS A 8 -16.233 6.488 2.355 1.00 0.00 C ATOM 66 SG CYS A 8 -16.456 5.391 3.777 1.00 0.00 S ATOM 0 H CYS A 8 -16.527 8.023 0.392 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.735 5.490 1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.392 6.150 1.749 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.996 7.497 2.694 1.00 0.00 H new ATOM 67 N HIS A 9 -19.029 8.268 2.203 1.00 0.00 N ATOM 68 CA HIS A 9 -20.155 8.830 2.999 1.00 0.00 C ATOM 69 C HIS A 9 -21.407 7.979 2.772 1.00 0.00 C ATOM 70 O HIS A 9 -21.978 7.438 3.698 1.00 0.00 O ATOM 71 CB HIS A 9 -20.425 10.270 2.558 1.00 0.00 C ATOM 72 CG HIS A 9 -21.731 10.739 3.139 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.953 10.273 2.681 1.00 0.00 N ATOM 74 CD2 HIS A 9 -22.022 11.631 4.142 1.00 0.00 C ATOM 75 CE1 HIS A 9 -23.914 10.880 3.400 1.00 0.00 C ATOM 76 NE2 HIS A 9 -23.402 11.719 4.304 1.00 0.00 N ATOM 0 H HIS A 9 -18.588 8.920 1.555 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.895 8.821 4.058 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.614 10.920 2.888 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.458 10.328 1.470 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.292 12.180 4.717 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.972 10.710 3.263 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.912 12.299 4.970 1.00 0.00 H new ATOM 77 N GLU A 10 -21.837 7.854 1.546 1.00 0.00 N ATOM 78 CA GLU A 10 -23.048 7.035 1.262 1.00 0.00 C ATOM 79 C GLU A 10 -22.783 5.586 1.672 1.00 0.00 C ATOM 80 O GLU A 10 -23.654 4.900 2.169 1.00 0.00 O ATOM 81 CB GLU A 10 -23.368 7.098 -0.232 1.00 0.00 C ATOM 82 CG GLU A 10 -23.620 8.553 -0.634 1.00 0.00 C ATOM 83 CD GLU A 10 -23.954 8.621 -2.126 1.00 0.00 C ATOM 84 OE1 GLU A 10 -23.807 7.610 -2.793 1.00 0.00 O ATOM 85 OE2 GLU A 10 -24.351 9.683 -2.575 1.00 0.00 O ATOM 0 H GLU A 10 -21.402 8.284 0.730 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.895 7.424 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.541 6.687 -0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -24.245 6.490 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.441 8.966 -0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.739 9.158 -0.420 1.00 0.00 H new ATOM 86 N PHE A 11 -21.580 5.117 1.477 1.00 0.00 N ATOM 87 CA PHE A 11 -21.254 3.719 1.866 1.00 0.00 C ATOM 88 C PHE A 11 -21.023 3.666 3.378 1.00 0.00 C ATOM 89 O PHE A 11 -20.911 2.607 3.964 1.00 0.00 O ATOM 90 CB PHE A 11 -19.988 3.269 1.133 1.00 0.00 C ATOM 91 CG PHE A 11 -20.361 2.493 -0.111 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.640 2.622 -0.670 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.424 1.640 -0.707 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.978 1.901 -1.821 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.762 0.920 -1.857 1.00 0.00 C ATOM 96 CZ PHE A 11 -21.039 1.050 -2.414 1.00 0.00 C ATOM 0 H PHE A 11 -20.810 5.644 1.065 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.077 3.056 1.598 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.385 4.137 0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.378 2.649 1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -22.365 3.278 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.438 1.538 -0.278 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.963 2.002 -2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.037 0.263 -2.315 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.300 0.493 -3.302 1.00 0.00 H new ATOM 97 N GLN A 12 -20.960 4.805 4.014 1.00 0.00 N ATOM 98 CA GLN A 12 -20.747 4.831 5.486 1.00 0.00 C ATOM 99 C GLN A 12 -22.067 4.497 6.182 1.00 0.00 C ATOM 100 O GLN A 12 -22.098 3.798 7.175 1.00 0.00 O ATOM 101 CB GLN A 12 -20.280 6.225 5.910 1.00 0.00 C ATOM 102 CG GLN A 12 -20.028 6.244 7.419 1.00 0.00 C ATOM 103 CD GLN A 12 -19.634 7.658 7.852 1.00 0.00 C ATOM 104 OE1 GLN A 12 -18.519 7.840 8.504 1.00 0.00 O flip ATOM 105 NE2 GLN A 12 -20.348 8.606 7.593 1.00 0.00 N flip ATOM 0 H GLN A 12 -21.047 5.721 3.574 1.00 0.00 H new ATOM 0 HA GLN A 12 -19.988 4.100 5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -19.369 6.493 5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -21.033 6.968 5.647 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -20.924 5.925 7.952 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.237 5.540 7.675 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -21.220 8.464 7.083 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -20.076 9.544 7.885 1.00 0.00 H new ATOM 106 N ALA A 13 -23.160 4.983 5.659 1.00 0.00 N ATOM 107 CA ALA A 13 -24.479 4.684 6.280 1.00 0.00 C ATOM 108 C ALA A 13 -24.805 3.208 6.051 1.00 0.00 C ATOM 109 O ALA A 13 -25.417 2.560 6.877 1.00 0.00 O ATOM 110 CB ALA A 13 -25.559 5.555 5.636 1.00 0.00 C ATOM 0 H ALA A 13 -23.195 5.574 4.828 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.443 4.895 7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.524 5.335 6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.317 6.607 5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.606 5.345 4.567 1.00 0.00 H new ATOM 111 N PHE A 14 -24.391 2.672 4.935 1.00 0.00 N ATOM 112 CA PHE A 14 -24.664 1.236 4.649 1.00 0.00 C ATOM 113 C PHE A 14 -23.689 0.369 5.450 1.00 0.00 C ATOM 114 O PHE A 14 -23.747 -0.844 5.413 1.00 0.00 O ATOM 115 CB PHE A 14 -24.477 0.970 3.153 1.00 0.00 C ATOM 116 CG PHE A 14 -25.598 1.624 2.383 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.911 1.162 2.532 1.00 0.00 C ATOM 118 CD2 PHE A 14 -25.324 2.693 1.520 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.951 1.769 1.819 1.00 0.00 C ATOM 120 CE2 PHE A 14 -26.366 3.300 0.807 1.00 0.00 C ATOM 121 CZ PHE A 14 -27.679 2.838 0.956 1.00 0.00 C ATOM 0 H PHE A 14 -23.875 3.168 4.208 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.688 0.993 4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.516 1.362 2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.467 -0.103 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -27.121 0.337 3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.311 3.049 1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.964 1.413 1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -26.156 4.125 0.142 1.00 0.00 H new ATOM 0 HZ PHE A 14 -28.482 3.306 0.406 1.00 0.00 H new ATOM 122 N MET A 15 -22.794 0.985 6.177 1.00 0.00 N ATOM 123 CA MET A 15 -21.815 0.201 6.981 1.00 0.00 C ATOM 124 C MET A 15 -22.483 -0.270 8.274 1.00 0.00 C ATOM 125 O MET A 15 -23.159 0.485 8.944 1.00 0.00 O ATOM 126 CB MET A 15 -20.616 1.089 7.323 1.00 0.00 C ATOM 127 CG MET A 15 -19.392 0.217 7.611 1.00 0.00 C ATOM 128 SD MET A 15 -19.639 -0.683 9.162 1.00 0.00 S ATOM 129 CE MET A 15 -19.551 0.743 10.273 1.00 0.00 C ATOM 0 H MET A 15 -22.700 1.998 6.248 1.00 0.00 H new ATOM 0 HA MET A 15 -21.479 -0.663 6.408 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.405 1.766 6.495 1.00 0.00 H new ATOM 0 HB3 MET A 15 -20.846 1.708 8.190 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.233 -0.485 6.793 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.498 0.838 7.677 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.221 0.416 11.259 1.00 0.00 H new ATOM 0 HE2 MET A 15 -18.843 1.470 9.876 1.00 0.00 H new ATOM 0 HE3 MET A 15 -20.536 1.202 10.354 1.00 0.00 H new ATOM 130 N LYS A 16 -22.299 -1.511 8.631 1.00 0.00 N ATOM 131 CA LYS A 16 -22.926 -2.022 9.883 1.00 0.00 C ATOM 132 C LYS A 16 -22.011 -3.064 10.530 1.00 0.00 C ATOM 133 O LYS A 16 -21.299 -3.783 9.858 1.00 0.00 O ATOM 134 CB LYS A 16 -24.275 -2.663 9.554 1.00 0.00 C ATOM 135 CG LYS A 16 -25.233 -1.595 9.025 1.00 0.00 C ATOM 136 CD LYS A 16 -26.629 -2.199 8.859 1.00 0.00 C ATOM 137 CE LYS A 16 -27.557 -1.170 8.212 1.00 0.00 C ATOM 138 NZ LYS A 16 -28.351 -1.825 7.135 1.00 0.00 N ATOM 0 H LYS A 16 -21.744 -2.191 8.112 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.075 -1.193 10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.144 -3.449 8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -24.693 -3.133 10.444 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -25.270 -0.751 9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -24.875 -1.211 8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -26.578 -3.096 8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.024 -2.501 9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -28.223 -0.743 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -26.973 -0.347 7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -28.982 -1.125 6.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -27.707 -2.212 6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -28.919 -2.596 7.542 1.00 0.00 H new ATOM 139 N ASN A 17 -22.027 -3.152 11.832 1.00 0.00 N ATOM 140 CA ASN A 17 -21.161 -4.148 12.525 1.00 0.00 C ATOM 141 C ASN A 17 -19.726 -4.021 12.011 1.00 0.00 C ATOM 142 O ASN A 17 -18.986 -4.984 11.963 1.00 0.00 O ATOM 143 CB ASN A 17 -21.681 -5.558 12.241 1.00 0.00 C ATOM 144 CG ASN A 17 -23.087 -5.710 12.827 1.00 0.00 C ATOM 145 OD1 ASN A 17 -23.487 -4.945 13.681 1.00 0.00 O ATOM 146 ND2 ASN A 17 -23.857 -6.673 12.401 1.00 0.00 N ATOM 0 H ASN A 17 -22.603 -2.577 12.446 1.00 0.00 H new ATOM 0 HA ASN A 17 -21.180 -3.962 13.599 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -21.701 -5.740 11.167 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.011 -6.299 12.677 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -24.795 -6.784 12.785 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -23.521 -7.315 11.684 1.00 0.00 H new ATOM 147 N GLY A 18 -19.326 -2.841 11.623 1.00 0.00 N ATOM 148 CA GLY A 18 -17.941 -2.657 11.108 1.00 0.00 C ATOM 149 C GLY A 18 -17.846 -3.264 9.709 1.00 0.00 C ATOM 150 O GLY A 18 -16.772 -3.496 9.191 1.00 0.00 O ATOM 0 H GLY A 18 -19.899 -1.997 11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.689 -1.597 11.076 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.224 -3.136 11.776 1.00 0.00 H new ATOM 151 N LYS A 19 -18.967 -3.523 9.097 1.00 0.00 N ATOM 152 CA LYS A 19 -18.955 -4.117 7.733 1.00 0.00 C ATOM 153 C LYS A 19 -19.553 -3.118 6.741 1.00 0.00 C ATOM 154 O LYS A 19 -20.392 -2.312 7.088 1.00 0.00 O ATOM 155 CB LYS A 19 -19.791 -5.397 7.736 1.00 0.00 C ATOM 156 CG LYS A 19 -19.501 -6.200 6.467 1.00 0.00 C ATOM 157 CD LYS A 19 -20.816 -6.705 5.872 1.00 0.00 C ATOM 158 CE LYS A 19 -20.535 -7.902 4.961 1.00 0.00 C ATOM 159 NZ LYS A 19 -21.600 -8.928 5.145 1.00 0.00 N ATOM 0 H LYS A 19 -19.894 -3.348 9.485 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.931 -4.350 7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.558 -5.994 8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.852 -5.151 7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.977 -5.578 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.847 -7.041 6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.501 -6.993 6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.301 -5.910 5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.501 -7.580 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.560 -8.329 5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -21.673 -9.511 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.362 -9.534 5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -22.510 -8.456 5.321 1.00 0.00 H new ATOM 160 N LEU A 20 -19.125 -3.162 5.509 1.00 0.00 N ATOM 161 CA LEU A 20 -19.668 -2.210 4.499 1.00 0.00 C ATOM 162 C LEU A 20 -20.702 -2.923 3.624 1.00 0.00 C ATOM 163 O LEU A 20 -20.361 -3.665 2.725 1.00 0.00 O ATOM 164 CB LEU A 20 -18.522 -1.701 3.620 1.00 0.00 C ATOM 165 CG LEU A 20 -18.848 -0.297 3.102 1.00 0.00 C ATOM 166 CD1 LEU A 20 -17.707 0.192 2.208 1.00 0.00 C ATOM 167 CD2 LEU A 20 -20.144 -0.337 2.291 1.00 0.00 C ATOM 0 H LEU A 20 -18.424 -3.815 5.159 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.143 -1.371 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.594 -1.681 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.365 -2.380 2.782 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.969 0.381 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.937 1.191 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.782 0.222 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -17.588 -0.488 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -20.374 0.663 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -20.024 -1.015 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -20.959 -0.687 2.924 1.00 0.00 H new ATOM 168 N PHE A 21 -21.963 -2.699 3.875 1.00 0.00 N ATOM 169 CA PHE A 21 -23.013 -3.359 3.049 1.00 0.00 C ATOM 170 C PHE A 21 -23.232 -2.541 1.775 1.00 0.00 C ATOM 171 O PHE A 21 -24.313 -2.052 1.514 1.00 0.00 O ATOM 172 CB PHE A 21 -24.317 -3.434 3.846 1.00 0.00 C ATOM 173 CG PHE A 21 -24.156 -4.426 4.972 1.00 0.00 C ATOM 174 CD1 PHE A 21 -23.531 -4.036 6.163 1.00 0.00 C ATOM 175 CD2 PHE A 21 -24.627 -5.736 4.825 1.00 0.00 C ATOM 176 CE1 PHE A 21 -23.378 -4.956 7.207 1.00 0.00 C ATOM 177 CE2 PHE A 21 -24.474 -6.656 5.869 1.00 0.00 C ATOM 178 CZ PHE A 21 -23.849 -6.266 7.060 1.00 0.00 C ATOM 0 H PHE A 21 -22.311 -2.089 4.615 1.00 0.00 H new ATOM 0 HA PHE A 21 -22.697 -4.368 2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.570 -2.452 4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -25.138 -3.735 3.195 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.167 -3.025 6.276 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -25.108 -6.037 3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -22.897 -4.655 8.126 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -24.838 -7.667 5.756 1.00 0.00 H new ATOM 0 HZ PHE A 21 -23.730 -6.976 7.865 1.00 0.00 H new ATOM 179 N CYS A 22 -22.204 -2.384 0.988 1.00 0.00 N ATOM 180 CA CYS A 22 -22.331 -1.591 -0.268 1.00 0.00 C ATOM 181 C CYS A 22 -23.388 -2.215 -1.182 1.00 0.00 C ATOM 182 O CYS A 22 -23.192 -3.276 -1.741 1.00 0.00 O ATOM 183 CB CYS A 22 -20.982 -1.564 -0.992 1.00 0.00 C ATOM 184 SG CYS A 22 -20.242 -3.216 -0.973 1.00 0.00 S ATOM 0 H CYS A 22 -21.277 -2.772 1.161 1.00 0.00 H new ATOM 0 HA CYS A 22 -22.635 -0.575 -0.017 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -21.117 -1.228 -2.020 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.314 -0.851 -0.509 1.00 0.00 H new ATOM 185 N PRO A 23 -24.531 -1.529 -1.339 1.00 0.00 N ATOM 186 CA PRO A 23 -25.626 -1.999 -2.190 1.00 0.00 C ATOM 187 C PRO A 23 -25.352 -1.708 -3.669 1.00 0.00 C ATOM 188 O PRO A 23 -24.421 -1.007 -4.010 1.00 0.00 O ATOM 189 CB PRO A 23 -26.824 -1.182 -1.716 1.00 0.00 C ATOM 190 CG PRO A 23 -26.244 0.069 -1.137 1.00 0.00 C ATOM 191 CD PRO A 23 -24.839 -0.244 -0.691 1.00 0.00 C ATOM 0 HA PRO A 23 -25.772 -3.077 -2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.498 -0.957 -2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -27.403 -1.728 -0.972 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -26.241 0.868 -1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.844 0.416 -0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -24.141 0.534 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.773 -0.320 0.394 1.00 0.00 H new ATOM 192 N GLN A 24 -26.156 -2.239 -4.550 1.00 0.00 N ATOM 193 CA GLN A 24 -25.937 -1.986 -6.002 1.00 0.00 C ATOM 194 C GLN A 24 -26.558 -0.640 -6.384 1.00 0.00 C ATOM 195 O GLN A 24 -27.760 -0.467 -6.347 1.00 0.00 O ATOM 196 CB GLN A 24 -26.593 -3.102 -6.818 1.00 0.00 C ATOM 197 CG GLN A 24 -25.797 -4.396 -6.644 1.00 0.00 C ATOM 198 CD GLN A 24 -26.445 -5.509 -7.470 1.00 0.00 C ATOM 199 OE1 GLN A 24 -27.550 -5.359 -7.951 1.00 0.00 O ATOM 200 NE2 GLN A 24 -25.799 -6.628 -7.655 1.00 0.00 N ATOM 0 H GLN A 24 -26.953 -2.835 -4.327 1.00 0.00 H new ATOM 0 HA GLN A 24 -24.867 -1.964 -6.211 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -27.622 -3.249 -6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -26.629 -2.824 -7.871 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -24.765 -4.246 -6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -25.768 -4.679 -5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -24.871 -6.754 -7.251 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -26.222 -7.377 -8.204 1.00 0.00 H new ATOM 201 N ASP A 25 -25.747 0.316 -6.750 1.00 0.00 N ATOM 202 CA ASP A 25 -26.291 1.650 -7.132 1.00 0.00 C ATOM 203 C ASP A 25 -26.656 1.649 -8.618 1.00 0.00 C ATOM 204 O ASP A 25 -25.855 1.305 -9.464 1.00 0.00 O ATOM 205 CB ASP A 25 -25.234 2.726 -6.868 1.00 0.00 C ATOM 206 CG ASP A 25 -25.842 4.109 -7.109 1.00 0.00 C ATOM 207 OD1 ASP A 25 -26.429 4.646 -6.184 1.00 0.00 O ATOM 208 OD2 ASP A 25 -25.709 4.609 -8.214 1.00 0.00 O ATOM 0 H ASP A 25 -24.732 0.230 -6.801 1.00 0.00 H new ATOM 0 HA ASP A 25 -27.182 1.861 -6.540 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -24.871 2.650 -5.843 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -24.375 2.576 -7.522 1.00 0.00 H new ATOM 209 N LYS A 26 -27.861 2.032 -8.943 1.00 0.00 N ATOM 210 CA LYS A 26 -28.276 2.053 -10.375 1.00 0.00 C ATOM 211 C LYS A 26 -27.316 2.938 -11.170 1.00 0.00 C ATOM 212 O LYS A 26 -27.069 2.710 -12.338 1.00 0.00 O ATOM 213 CB LYS A 26 -29.696 2.612 -10.487 1.00 0.00 C ATOM 214 CG LYS A 26 -30.673 1.673 -9.776 1.00 0.00 C ATOM 215 CD LYS A 26 -32.104 2.176 -9.981 1.00 0.00 C ATOM 216 CE LYS A 26 -33.074 1.288 -9.199 1.00 0.00 C ATOM 217 NZ LYS A 26 -33.078 -0.082 -9.788 1.00 0.00 N ATOM 0 H LYS A 26 -28.576 2.331 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.252 1.039 -10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.743 3.606 -10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.975 2.718 -11.535 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -30.572 0.661 -10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.441 1.627 -8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -32.189 3.209 -9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -32.357 2.163 -11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -32.779 1.244 -8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -34.078 1.712 -9.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -33.912 -0.603 -9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -33.110 -0.014 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -32.215 -0.586 -9.501 1.00 0.00 H new ATOM 218 N LYS A 27 -26.772 3.946 -10.547 1.00 0.00 N ATOM 219 CA LYS A 27 -25.828 4.846 -11.267 1.00 0.00 C ATOM 220 C LYS A 27 -24.390 4.420 -10.966 1.00 0.00 C ATOM 221 O LYS A 27 -23.901 4.586 -9.866 1.00 0.00 O ATOM 222 CB LYS A 27 -26.041 6.288 -10.800 1.00 0.00 C ATOM 223 CG LYS A 27 -25.109 7.219 -11.579 1.00 0.00 C ATOM 224 CD LYS A 27 -25.517 7.232 -13.053 1.00 0.00 C ATOM 225 CE LYS A 27 -25.293 8.631 -13.631 1.00 0.00 C ATOM 226 NZ LYS A 27 -25.372 8.572 -15.118 1.00 0.00 N ATOM 0 H LYS A 27 -26.940 4.186 -9.570 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.010 4.781 -12.340 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -27.079 6.582 -10.955 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -25.843 6.369 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -25.158 8.227 -11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -24.077 6.884 -11.479 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -24.933 6.499 -13.610 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.565 6.948 -13.154 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -26.043 9.321 -13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.319 9.012 -13.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.220 9.522 -15.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -24.641 7.927 -15.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.311 8.226 -15.402 1.00 0.00 H new ATOM 227 N PRO A 28 -23.703 3.855 -11.969 1.00 0.00 N ATOM 228 CA PRO A 28 -22.316 3.397 -11.822 1.00 0.00 C ATOM 229 C PRO A 28 -21.338 4.568 -11.687 1.00 0.00 C ATOM 230 O PRO A 28 -21.443 5.560 -12.380 1.00 0.00 O ATOM 231 CB PRO A 28 -22.049 2.642 -13.124 1.00 0.00 C ATOM 232 CG PRO A 28 -23.000 3.237 -14.107 1.00 0.00 C ATOM 233 CD PRO A 28 -24.226 3.620 -13.327 1.00 0.00 C ATOM 0 HA PRO A 28 -22.179 2.792 -10.925 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.016 2.765 -13.448 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.221 1.572 -13.004 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -22.561 4.108 -14.595 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -23.246 2.522 -14.892 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -24.700 4.512 -13.736 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -24.974 2.827 -13.339 1.00 0.00 H new ATOM 234 N ILE A 29 -20.386 4.457 -10.802 1.00 0.00 N ATOM 235 CA ILE A 29 -19.400 5.559 -10.625 1.00 0.00 C ATOM 236 C ILE A 29 -18.009 5.063 -11.030 1.00 0.00 C ATOM 237 O ILE A 29 -17.728 3.882 -11.000 1.00 0.00 O ATOM 238 CB ILE A 29 -19.382 6.004 -9.158 1.00 0.00 C ATOM 239 CG1 ILE A 29 -18.659 7.354 -9.050 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.661 4.946 -8.310 1.00 0.00 C ATOM 241 CD1 ILE A 29 -18.176 7.582 -7.618 1.00 0.00 C ATOM 0 H ILE A 29 -20.249 3.650 -10.194 1.00 0.00 H new ATOM 0 HA ILE A 29 -19.682 6.405 -11.252 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.402 6.114 -8.791 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -17.812 7.377 -9.735 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -19.331 8.159 -9.347 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.648 5.263 -7.267 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.185 3.994 -8.394 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.637 4.830 -8.666 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -17.665 8.543 -7.555 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.030 7.580 -6.941 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -17.488 6.786 -7.335 1.00 0.00 H new ATOM 242 N GLN A 30 -17.136 5.956 -11.409 1.00 0.00 N ATOM 243 CA GLN A 30 -15.766 5.532 -11.814 1.00 0.00 C ATOM 244 C GLN A 30 -14.802 5.753 -10.648 1.00 0.00 C ATOM 245 O GLN A 30 -14.509 6.872 -10.276 1.00 0.00 O ATOM 246 CB GLN A 30 -15.312 6.355 -13.020 1.00 0.00 C ATOM 247 CG GLN A 30 -16.225 6.058 -14.212 1.00 0.00 C ATOM 248 CD GLN A 30 -15.704 6.791 -15.450 1.00 0.00 C ATOM 249 OE1 GLN A 30 -14.996 7.772 -15.337 1.00 0.00 O ATOM 250 NE2 GLN A 30 -16.026 6.353 -16.636 1.00 0.00 N ATOM 0 H GLN A 30 -17.312 6.960 -11.456 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.775 4.476 -12.082 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -15.342 7.418 -12.781 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.279 6.114 -13.270 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -16.259 4.985 -14.399 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.244 6.375 -13.991 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -16.620 5.530 -16.732 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.683 6.834 -17.468 1.00 0.00 H new ATOM 251 N SER A 31 -14.312 4.695 -10.064 1.00 0.00 N ATOM 252 CA SER A 31 -13.372 4.843 -8.918 1.00 0.00 C ATOM 253 C SER A 31 -11.958 5.106 -9.439 1.00 0.00 C ATOM 254 O SER A 31 -11.645 4.833 -10.580 1.00 0.00 O ATOM 255 CB SER A 31 -13.377 3.558 -8.088 1.00 0.00 C ATOM 256 OG SER A 31 -12.346 2.695 -8.546 1.00 0.00 O ATOM 0 H SER A 31 -14.522 3.733 -10.331 1.00 0.00 H new ATOM 0 HA SER A 31 -13.689 5.682 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.228 3.793 -7.034 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.344 3.063 -8.171 1.00 0.00 H new ATOM 0 HG SER A 31 -12.541 2.410 -9.463 1.00 0.00 H new ATOM 257 N LEU A 32 -11.102 5.632 -8.606 1.00 0.00 N ATOM 258 CA LEU A 32 -9.707 5.912 -9.046 1.00 0.00 C ATOM 259 C LEU A 32 -8.783 4.801 -8.543 1.00 0.00 C ATOM 260 O LEU A 32 -7.636 4.710 -8.933 1.00 0.00 O ATOM 261 CB LEU A 32 -9.252 7.254 -8.467 1.00 0.00 C ATOM 262 CG LEU A 32 -9.691 7.351 -7.004 1.00 0.00 C ATOM 263 CD1 LEU A 32 -8.563 7.964 -6.171 1.00 0.00 C ATOM 264 CD2 LEU A 32 -10.937 8.233 -6.902 1.00 0.00 C ATOM 0 H LEU A 32 -11.309 5.880 -7.639 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.668 5.953 -10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.168 7.345 -8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.681 8.075 -9.042 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.920 6.354 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.876 8.033 -5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.675 7.336 -6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.333 8.961 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.250 8.302 -5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.709 9.230 -7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.741 7.796 -7.494 1.00 0.00 H new ATOM 265 N ASP A 33 -9.274 3.955 -7.679 1.00 0.00 N ATOM 266 CA ASP A 33 -8.425 2.851 -7.149 1.00 0.00 C ATOM 267 C ASP A 33 -8.198 1.805 -8.244 1.00 0.00 C ATOM 268 O ASP A 33 -7.463 0.854 -8.063 1.00 0.00 O ATOM 269 CB ASP A 33 -9.128 2.194 -5.961 1.00 0.00 C ATOM 270 CG ASP A 33 -8.223 1.112 -5.367 1.00 0.00 C ATOM 271 OD1 ASP A 33 -7.048 1.104 -5.697 1.00 0.00 O ATOM 272 OD2 ASP A 33 -8.720 0.311 -4.594 1.00 0.00 O ATOM 0 H ASP A 33 -10.227 3.981 -7.317 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.465 3.256 -6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.363 2.943 -5.204 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.074 1.757 -6.281 1.00 0.00 H new ATOM 273 N GLY A 34 -8.822 1.971 -9.379 1.00 0.00 N ATOM 274 CA GLY A 34 -8.639 0.984 -10.480 1.00 0.00 C ATOM 275 C GLY A 34 -9.867 0.074 -10.560 1.00 0.00 C ATOM 276 O GLY A 34 -9.877 -0.909 -11.274 1.00 0.00 O ATOM 0 H GLY A 34 -9.450 2.747 -9.591 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.496 1.503 -11.428 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.743 0.389 -10.304 1.00 0.00 H new ATOM 277 N ILE A 35 -10.902 0.393 -9.832 1.00 0.00 N ATOM 278 CA ILE A 35 -12.129 -0.454 -9.867 1.00 0.00 C ATOM 279 C ILE A 35 -13.306 0.378 -10.381 1.00 0.00 C ATOM 280 O ILE A 35 -13.249 1.591 -10.424 1.00 0.00 O ATOM 281 CB ILE A 35 -12.439 -0.960 -8.456 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.176 -1.563 -7.838 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.532 -2.027 -8.523 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.308 -1.567 -6.314 1.00 0.00 C ATOM 0 H ILE A 35 -10.952 1.203 -9.214 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.967 -1.304 -10.530 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.781 -0.127 -7.842 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.028 -2.579 -8.204 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.301 -0.986 -8.137 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.752 -2.386 -7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.434 -1.597 -8.960 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.191 -2.859 -9.139 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.409 -1.996 -5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.435 -0.545 -5.957 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.174 -2.163 -6.025 1.00 0.00 H new ATOM 285 N MET A 36 -14.372 -0.263 -10.775 1.00 0.00 N ATOM 286 CA MET A 36 -15.549 0.494 -11.289 1.00 0.00 C ATOM 287 C MET A 36 -16.655 0.506 -10.231 1.00 0.00 C ATOM 288 O MET A 36 -17.349 -0.471 -10.036 1.00 0.00 O ATOM 289 CB MET A 36 -16.069 -0.177 -12.561 1.00 0.00 C ATOM 290 CG MET A 36 -15.012 -0.070 -13.661 1.00 0.00 C ATOM 291 SD MET A 36 -15.706 -0.665 -15.223 1.00 0.00 S ATOM 292 CE MET A 36 -16.020 -2.367 -14.697 1.00 0.00 C ATOM 0 H MET A 36 -14.479 -1.277 -10.763 1.00 0.00 H new ATOM 0 HA MET A 36 -15.251 1.518 -11.512 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.300 -1.224 -12.364 1.00 0.00 H new ATOM 0 HB3 MET A 36 -16.995 0.299 -12.884 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.685 0.964 -13.767 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.133 -0.657 -13.394 1.00 0.00 H new ATOM 0 HE1 MET A 36 -15.868 -3.042 -15.539 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.334 -2.631 -13.892 1.00 0.00 H new ATOM 0 HE3 MET A 36 -17.047 -2.455 -14.343 1.00 0.00 H new ATOM 293 N PHE A 37 -16.824 1.611 -9.553 1.00 0.00 N ATOM 294 CA PHE A 37 -17.884 1.706 -8.505 1.00 0.00 C ATOM 295 C PHE A 37 -17.560 0.769 -7.343 1.00 0.00 C ATOM 296 O PHE A 37 -17.419 1.194 -6.214 1.00 0.00 O ATOM 297 CB PHE A 37 -19.241 1.324 -9.100 1.00 0.00 C ATOM 298 CG PHE A 37 -20.290 1.376 -8.014 1.00 0.00 C ATOM 299 CD1 PHE A 37 -20.454 0.287 -7.150 1.00 0.00 C ATOM 300 CD2 PHE A 37 -21.095 2.512 -7.870 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.424 0.335 -6.141 1.00 0.00 C ATOM 302 CE2 PHE A 37 -22.065 2.559 -6.861 1.00 0.00 C ATOM 303 CZ PHE A 37 -22.229 1.471 -5.997 1.00 0.00 C ATOM 0 H PHE A 37 -16.270 2.458 -9.681 1.00 0.00 H new ATOM 0 HA PHE A 37 -17.923 2.732 -8.140 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -19.503 2.007 -9.908 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -19.195 0.324 -9.530 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -19.833 -0.590 -7.261 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -20.968 3.352 -8.537 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -21.551 -0.505 -5.474 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -22.686 3.435 -6.750 1.00 0.00 H new ATOM 0 HZ PHE A 37 -22.977 1.508 -5.219 1.00 0.00 H new ATOM 304 N ILE A 38 -17.449 -0.501 -7.613 1.00 0.00 N ATOM 305 CA ILE A 38 -17.139 -1.478 -6.530 1.00 0.00 C ATOM 306 C ILE A 38 -16.090 -0.886 -5.586 1.00 0.00 C ATOM 307 O ILE A 38 -16.036 -1.217 -4.418 1.00 0.00 O ATOM 308 CB ILE A 38 -16.599 -2.769 -7.150 1.00 0.00 C ATOM 309 CG1 ILE A 38 -17.652 -3.367 -8.085 1.00 0.00 C ATOM 310 CG2 ILE A 38 -16.276 -3.771 -6.040 1.00 0.00 C ATOM 311 CD1 ILE A 38 -19.000 -3.424 -7.363 1.00 0.00 C ATOM 0 H ILE A 38 -17.560 -0.908 -8.542 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.047 -1.695 -5.967 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.694 -2.548 -7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -17.736 -2.763 -8.989 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.351 -4.367 -8.397 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -15.891 -4.691 -6.481 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -15.525 -3.346 -5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -17.181 -3.991 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -19.751 -3.850 -8.028 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.910 -4.046 -6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -19.301 -2.417 -7.074 1.00 0.00 H new ATOM 312 N ASN A 39 -15.256 -0.012 -6.081 1.00 0.00 N ATOM 313 CA ASN A 39 -14.214 0.597 -5.208 1.00 0.00 C ATOM 314 C ASN A 39 -14.865 1.176 -3.952 1.00 0.00 C ATOM 315 O ASN A 39 -14.348 1.045 -2.864 1.00 0.00 O ATOM 316 CB ASN A 39 -13.503 1.723 -5.959 1.00 0.00 C ATOM 317 CG ASN A 39 -12.199 2.065 -5.235 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.458 1.184 -4.847 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.887 3.316 -5.032 1.00 0.00 N ATOM 0 H ASN A 39 -15.252 0.306 -7.050 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.494 -0.173 -4.929 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.294 1.418 -6.984 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.145 2.602 -6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.021 3.554 -4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.509 4.056 -5.358 1.00 0.00 H new ATOM 320 N LYS A 40 -15.989 1.825 -4.093 1.00 0.00 N ATOM 321 CA LYS A 40 -16.657 2.419 -2.904 1.00 0.00 C ATOM 322 C LYS A 40 -16.620 1.423 -1.745 1.00 0.00 C ATOM 323 O LYS A 40 -16.386 1.784 -0.608 1.00 0.00 O ATOM 324 CB LYS A 40 -18.109 2.756 -3.247 1.00 0.00 C ATOM 325 CG LYS A 40 -18.142 3.891 -4.270 1.00 0.00 C ATOM 326 CD LYS A 40 -19.492 4.607 -4.189 1.00 0.00 C ATOM 327 CE LYS A 40 -19.515 5.770 -5.182 1.00 0.00 C ATOM 328 NZ LYS A 40 -20.168 6.951 -4.549 1.00 0.00 N ATOM 0 H LYS A 40 -16.472 1.969 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.135 3.330 -2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.612 1.876 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.648 3.049 -2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.332 4.594 -4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.987 3.496 -5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.299 3.909 -4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.659 4.976 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.499 6.022 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.056 5.482 -6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.049 7.783 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.182 6.759 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.729 7.136 -3.625 1.00 0.00 H new ATOM 329 N CYS A 41 -16.847 0.171 -2.025 1.00 0.00 N ATOM 330 CA CYS A 41 -16.826 -0.853 -0.944 1.00 0.00 C ATOM 331 C CYS A 41 -15.381 -1.119 -0.514 1.00 0.00 C ATOM 332 O CYS A 41 -15.095 -1.297 0.650 1.00 0.00 O ATOM 333 CB CYS A 41 -17.449 -2.152 -1.462 1.00 0.00 C ATOM 334 SG CYS A 41 -18.420 -2.929 -0.146 1.00 0.00 S ATOM 0 H CYS A 41 -17.047 -0.189 -2.958 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.396 -0.488 -0.090 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.085 -1.944 -2.322 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.667 -2.832 -1.801 1.00 0.00 H new ATOM 335 N ALA A 42 -14.467 -1.155 -1.444 1.00 0.00 N ATOM 336 CA ALA A 42 -13.045 -1.419 -1.081 1.00 0.00 C ATOM 337 C ALA A 42 -12.389 -0.139 -0.554 1.00 0.00 C ATOM 338 O ALA A 42 -11.417 -0.185 0.173 1.00 0.00 O ATOM 339 CB ALA A 42 -12.289 -1.900 -2.318 1.00 0.00 C ATOM 0 H ALA A 42 -14.642 -1.013 -2.439 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.012 -2.183 -0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.249 -2.094 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.746 -2.817 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.331 -1.133 -3.091 1.00 0.00 H new ATOM 340 N THR A 43 -12.908 1.002 -0.914 1.00 0.00 N ATOM 341 CA THR A 43 -12.308 2.276 -0.433 1.00 0.00 C ATOM 342 C THR A 43 -13.038 2.730 0.830 1.00 0.00 C ATOM 343 O THR A 43 -12.436 2.963 1.859 1.00 0.00 O ATOM 344 CB THR A 43 -12.449 3.348 -1.518 1.00 0.00 C ATOM 345 OG1 THR A 43 -12.735 2.725 -2.762 1.00 0.00 O ATOM 346 CG2 THR A 43 -11.145 4.141 -1.632 1.00 0.00 C ATOM 0 H THR A 43 -13.722 1.106 -1.520 1.00 0.00 H new ATOM 0 HA THR A 43 -11.252 2.123 -0.211 1.00 0.00 H new ATOM 0 HB THR A 43 -13.261 4.026 -1.254 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.662 2.406 -2.763 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.249 4.903 -2.405 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.926 4.620 -0.678 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.331 3.466 -1.895 1.00 0.00 H new ATOM 347 N CYS A 44 -14.334 2.855 0.759 1.00 0.00 N ATOM 348 CA CYS A 44 -15.107 3.292 1.953 1.00 0.00 C ATOM 349 C CYS A 44 -14.818 2.347 3.123 1.00 0.00 C ATOM 350 O CYS A 44 -14.673 2.772 4.252 1.00 0.00 O ATOM 351 CB CYS A 44 -16.602 3.265 1.626 1.00 0.00 C ATOM 352 SG CYS A 44 -17.547 3.851 3.054 1.00 0.00 S ATOM 0 H CYS A 44 -14.891 2.673 -0.076 1.00 0.00 H new ATOM 0 HA CYS A 44 -14.814 4.305 2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.806 3.894 0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.909 2.252 1.365 1.00 0.00 H new ATOM 353 N LYS A 45 -14.729 1.070 2.867 1.00 0.00 N ATOM 354 CA LYS A 45 -14.449 0.110 3.973 1.00 0.00 C ATOM 355 C LYS A 45 -13.176 0.538 4.706 1.00 0.00 C ATOM 356 O LYS A 45 -13.150 0.640 5.917 1.00 0.00 O ATOM 357 CB LYS A 45 -14.265 -1.294 3.397 1.00 0.00 C ATOM 358 CG LYS A 45 -14.319 -2.326 4.525 1.00 0.00 C ATOM 359 CD LYS A 45 -14.124 -3.726 3.938 1.00 0.00 C ATOM 360 CE LYS A 45 -14.193 -4.766 5.057 1.00 0.00 C ATOM 361 NZ LYS A 45 -13.695 -6.075 4.547 1.00 0.00 N ATOM 0 H LYS A 45 -14.838 0.651 1.943 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.285 0.104 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.044 -1.502 2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.310 -1.361 2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.544 -2.117 5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.276 -2.266 5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.892 -3.929 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.162 -3.787 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.593 -4.442 5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.219 -4.868 5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.741 -6.784 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.286 -6.384 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.710 -5.972 4.229 1.00 0.00 H new ATOM 362 N MET A 46 -12.119 0.796 3.984 1.00 0.00 N ATOM 363 CA MET A 46 -10.855 1.224 4.645 1.00 0.00 C ATOM 364 C MET A 46 -11.040 2.627 5.224 1.00 0.00 C ATOM 365 O MET A 46 -10.370 3.018 6.159 1.00 0.00 O ATOM 366 CB MET A 46 -9.719 1.240 3.619 1.00 0.00 C ATOM 367 CG MET A 46 -9.497 -0.176 3.083 1.00 0.00 C ATOM 368 SD MET A 46 -8.046 -0.190 2.001 1.00 0.00 S ATOM 369 CE MET A 46 -8.615 1.079 0.843 1.00 0.00 C ATOM 0 H MET A 46 -12.077 0.729 2.967 1.00 0.00 H new ATOM 0 HA MET A 46 -10.607 0.527 5.445 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.964 1.916 2.800 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.804 1.614 4.079 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.354 -0.871 3.910 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.377 -0.511 2.534 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.360 0.783 -0.175 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.696 1.191 0.929 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.132 2.028 1.077 1.00 0.00 H new ATOM 370 N ILE A 47 -11.950 3.387 4.676 1.00 0.00 N ATOM 371 CA ILE A 47 -12.184 4.763 5.197 1.00 0.00 C ATOM 372 C ILE A 47 -13.118 4.692 6.406 1.00 0.00 C ATOM 373 O ILE A 47 -13.054 5.511 7.301 1.00 0.00 O ATOM 374 CB ILE A 47 -12.821 5.622 4.101 1.00 0.00 C ATOM 375 CG1 ILE A 47 -11.894 5.670 2.885 1.00 0.00 C ATOM 376 CG2 ILE A 47 -13.041 7.043 4.625 1.00 0.00 C ATOM 377 CD1 ILE A 47 -12.663 6.212 1.678 1.00 0.00 C ATOM 0 H ILE A 47 -12.541 3.114 3.891 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.236 5.209 5.497 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.778 5.187 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.033 6.304 3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.510 4.673 2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.494 7.653 3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.702 7.013 5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.084 7.477 4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.003 6.246 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.510 5.560 1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.025 7.216 1.898 1.00 0.00 H new ATOM 378 N LEU A 48 -13.983 3.713 6.445 1.00 0.00 N ATOM 379 CA LEU A 48 -14.914 3.586 7.602 1.00 0.00 C ATOM 380 C LEU A 48 -14.156 2.995 8.791 1.00 0.00 C ATOM 381 O LEU A 48 -14.496 3.226 9.935 1.00 0.00 O ATOM 382 CB LEU A 48 -16.077 2.662 7.229 1.00 0.00 C ATOM 383 CG LEU A 48 -16.947 3.338 6.167 1.00 0.00 C ATOM 384 CD1 LEU A 48 -18.258 2.567 6.011 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.250 4.776 6.593 1.00 0.00 C ATOM 0 H LEU A 48 -14.084 2.997 5.726 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.306 4.568 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.695 1.714 6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.674 2.436 8.113 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.415 3.345 5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.876 3.050 5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.044 1.543 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -18.790 2.558 6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.870 5.257 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.780 4.769 7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.316 5.328 6.701 1.00 0.00 H new ATOM 386 N GLU A 49 -13.127 2.236 8.530 1.00 0.00 N ATOM 387 CA GLU A 49 -12.343 1.632 9.644 1.00 0.00 C ATOM 388 C GLU A 49 -11.471 2.709 10.291 1.00 0.00 C ATOM 389 O GLU A 49 -11.256 2.712 11.486 1.00 0.00 O ATOM 390 CB GLU A 49 -11.452 0.516 9.094 1.00 0.00 C ATOM 391 CG GLU A 49 -12.327 -0.644 8.612 1.00 0.00 C ATOM 392 CD GLU A 49 -11.435 -1.767 8.078 1.00 0.00 C ATOM 393 OE1 GLU A 49 -10.242 -1.543 7.956 1.00 0.00 O ATOM 394 OE2 GLU A 49 -11.961 -2.832 7.799 1.00 0.00 O ATOM 0 H GLU A 49 -12.795 2.008 7.593 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.024 1.218 10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.844 0.893 8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.765 0.171 9.866 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.944 -1.013 9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.006 -0.302 7.831 1.00 0.00 H new ATOM 395 N LYS A 50 -10.968 3.625 9.509 1.00 0.00 N ATOM 396 CA LYS A 50 -10.112 4.703 10.079 1.00 0.00 C ATOM 397 C LYS A 50 -10.858 5.394 11.221 1.00 0.00 C ATOM 398 O LYS A 50 -10.280 5.749 12.229 1.00 0.00 O ATOM 399 CB LYS A 50 -9.787 5.726 8.989 1.00 0.00 C ATOM 400 CG LYS A 50 -8.793 6.754 9.534 1.00 0.00 C ATOM 401 CD LYS A 50 -8.509 7.807 8.461 1.00 0.00 C ATOM 402 CE LYS A 50 -7.401 8.743 8.947 1.00 0.00 C ATOM 403 NZ LYS A 50 -6.075 8.098 8.729 1.00 0.00 N ATOM 0 H LYS A 50 -11.113 3.673 8.501 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.186 4.270 10.458 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.366 5.224 8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.699 6.225 8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.198 7.230 10.427 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.867 6.260 9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.209 7.323 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.413 8.377 8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.449 9.690 8.410 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.538 8.968 10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.430 8.360 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.191 7.065 8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.678 8.419 7.823 1.00 0.00 H new ATOM 404 N GLU A 51 -12.141 5.587 11.072 1.00 0.00 N ATOM 405 CA GLU A 51 -12.923 6.254 12.150 1.00 0.00 C ATOM 406 C GLU A 51 -12.879 5.397 13.416 1.00 0.00 C ATOM 407 O GLU A 51 -12.919 5.901 14.521 1.00 0.00 O ATOM 408 CB GLU A 51 -14.376 6.420 11.698 1.00 0.00 C ATOM 409 CG GLU A 51 -14.432 7.367 10.497 1.00 0.00 C ATOM 410 CD GLU A 51 -15.890 7.584 10.086 1.00 0.00 C ATOM 411 OE1 GLU A 51 -16.743 6.891 10.614 1.00 0.00 O ATOM 412 OE2 GLU A 51 -16.128 8.440 9.250 1.00 0.00 O ATOM 0 H GLU A 51 -12.680 5.312 10.251 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.492 7.233 12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.798 5.451 11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.979 6.816 12.515 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.969 8.321 10.750 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.867 6.949 9.664 1.00 0.00 H new ATOM 413 N ALA A 52 -12.795 4.103 13.265 1.00 0.00 N ATOM 414 CA ALA A 52 -12.747 3.215 14.460 1.00 0.00 C ATOM 415 C ALA A 52 -11.474 3.502 15.259 1.00 0.00 C ATOM 416 O ALA A 52 -11.419 3.290 16.454 1.00 0.00 O ATOM 417 CB ALA A 52 -12.748 1.753 14.009 1.00 0.00 C ATOM 0 H ALA A 52 -12.758 3.623 12.366 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.619 3.402 15.087 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.713 1.103 14.883 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.655 1.548 13.441 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.877 1.565 13.382 1.00 0.00 H new ATOM 418 N LYS A 53 -10.450 3.981 14.609 1.00 0.00 N ATOM 419 CA LYS A 53 -9.182 4.280 15.332 1.00 0.00 C ATOM 420 C LYS A 53 -9.441 5.351 16.394 1.00 0.00 C ATOM 421 O LYS A 53 -8.816 5.370 17.436 1.00 0.00 O ATOM 422 CB LYS A 53 -8.136 4.790 14.339 1.00 0.00 C ATOM 423 CG LYS A 53 -7.785 3.675 13.351 1.00 0.00 C ATOM 424 CD LYS A 53 -6.653 4.144 12.435 1.00 0.00 C ATOM 425 CE LYS A 53 -6.399 3.088 11.357 1.00 0.00 C ATOM 426 NZ LYS A 53 -5.559 1.994 11.922 1.00 0.00 N ATOM 0 H LYS A 53 -10.436 4.178 13.608 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.815 3.373 15.812 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.520 5.658 13.803 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.242 5.114 14.871 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.482 2.778 13.891 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.661 3.410 12.759 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.915 5.095 11.973 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.746 4.311 13.016 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.346 2.685 10.997 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.899 3.540 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.386 1.276 11.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.651 2.385 12.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.053 1.557 12.726 1.00 0.00 H new