USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=8 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 -33:sc= -2.22! USER MOD Set 1.2: A 39 ASN : amide:sc= -9.19! C(o=-12!,f=-17!) USER MOD Set 1.3: A 40 LYS NZ :NH3+ -121:sc= -0.763! (180deg=-0.0767) USER MOD Single : A 2 ASN : amide:sc= -0.465 K(o=-0.47,f=-2.2!) USER MOD Single : A 5 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.7!) USER MOD Single : A 7 MET CE :methyl -161:sc= -0.468 (180deg=-1.48!) USER MOD Single : A 9 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-5.5!) USER MOD Single : A 12 GLN : amide:sc= -2.87! C(o=-2.9!,f=-3.5!) USER MOD Single : A 15 MET CE :methyl 146:sc= -0.298 (180deg=-1.47!) USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.23 (180deg=-0.852) USER MOD Single : A 17 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.27) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 36 MET CE :methyl 132:sc= -0.239 (180deg=-1.99!) USER MOD Single : A 43 THR OG1 : rot -40:sc= -0.793! 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+ -116:sc= -1.04 (180deg=-2.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N ASN A 2 -8.773 13.971 1.415 1.00 0.00 N ATOM 11 CA ASN A 2 -8.945 13.004 0.295 1.00 0.00 C ATOM 12 C ASN A 2 -10.385 13.072 -0.219 1.00 0.00 C ATOM 13 O ASN A 2 -11.330 12.943 0.534 1.00 0.00 O ATOM 14 CB ASN A 2 -8.648 11.589 0.794 1.00 0.00 C ATOM 15 CG ASN A 2 -8.569 10.634 -0.399 1.00 0.00 C ATOM 16 OD1 ASN A 2 -8.459 11.063 -1.531 1.00 0.00 O ATOM 17 ND2 ASN A 2 -8.621 9.347 -0.192 1.00 0.00 N ATOM 0 HA ASN A 2 -8.258 13.256 -0.513 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -7.709 11.576 1.347 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.427 11.264 1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.569 8.701 -0.980 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.713 8.987 0.758 1.00 0.00 H new ATOM 18 N GLU A 3 -10.560 13.275 -1.496 1.00 0.00 N ATOM 19 CA GLU A 3 -11.938 13.352 -2.057 1.00 0.00 C ATOM 20 C GLU A 3 -12.580 11.964 -2.022 1.00 0.00 C ATOM 21 O GLU A 3 -13.772 11.826 -1.825 1.00 0.00 O ATOM 22 CB GLU A 3 -11.875 13.849 -3.502 1.00 0.00 C ATOM 23 CG GLU A 3 -11.336 15.281 -3.526 1.00 0.00 C ATOM 24 CD GLU A 3 -11.306 15.792 -4.967 1.00 0.00 C ATOM 25 OE1 GLU A 3 -11.527 14.994 -5.862 1.00 0.00 O ATOM 26 OE2 GLU A 3 -11.062 16.972 -5.151 1.00 0.00 O ATOM 0 H GLU A 3 -9.808 13.391 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.534 14.044 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.233 13.197 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.867 13.815 -3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.964 15.927 -2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.334 15.311 -3.098 1.00 0.00 H new ATOM 27 N ASP A 4 -11.803 10.933 -2.211 1.00 0.00 N ATOM 28 CA ASP A 4 -12.374 9.557 -2.188 1.00 0.00 C ATOM 29 C ASP A 4 -13.090 9.326 -0.857 1.00 0.00 C ATOM 30 O ASP A 4 -14.029 8.559 -0.770 1.00 0.00 O ATOM 31 CB ASP A 4 -11.246 8.533 -2.347 1.00 0.00 C ATOM 32 CG ASP A 4 -11.846 7.147 -2.593 1.00 0.00 C ATOM 33 OD1 ASP A 4 -13.054 7.066 -2.748 1.00 0.00 O ATOM 34 OD2 ASP A 4 -11.089 6.192 -2.620 1.00 0.00 O ATOM 0 H ASP A 4 -10.798 10.984 -2.380 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.084 9.444 -3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.600 8.814 -3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.625 8.518 -1.451 1.00 0.00 H new ATOM 35 N GLN A 5 -12.657 9.986 0.183 1.00 0.00 N ATOM 36 CA GLN A 5 -13.316 9.806 1.508 1.00 0.00 C ATOM 37 C GLN A 5 -14.739 10.364 1.447 1.00 0.00 C ATOM 38 O GLN A 5 -15.648 9.843 2.061 1.00 0.00 O ATOM 39 CB GLN A 5 -12.522 10.552 2.580 1.00 0.00 C ATOM 40 CG GLN A 5 -11.151 9.893 2.753 1.00 0.00 C ATOM 41 CD GLN A 5 -10.320 10.700 3.754 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.613 11.848 4.018 1.00 0.00 O ATOM 43 NE2 GLN A 5 -9.286 10.144 4.324 1.00 0.00 N ATOM 0 H GLN A 5 -11.876 10.642 0.172 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.350 8.745 1.756 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.401 11.597 2.296 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.065 10.539 3.525 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.270 8.868 3.105 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.636 9.843 1.794 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.039 9.179 4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.725 10.674 4.991 1.00 0.00 H new ATOM 44 N GLU A 6 -14.941 11.422 0.711 1.00 0.00 N ATOM 45 CA GLU A 6 -16.307 12.008 0.615 1.00 0.00 C ATOM 46 C GLU A 6 -17.273 10.953 0.072 1.00 0.00 C ATOM 47 O GLU A 6 -18.320 10.706 0.638 1.00 0.00 O ATOM 48 CB GLU A 6 -16.280 13.211 -0.330 1.00 0.00 C ATOM 49 CG GLU A 6 -17.611 13.962 -0.235 1.00 0.00 C ATOM 50 CD GLU A 6 -17.575 15.178 -1.164 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.550 15.390 -1.790 1.00 0.00 O ATOM 52 OE2 GLU A 6 -18.575 15.874 -1.232 1.00 0.00 O ATOM 0 H GLU A 6 -14.221 11.905 0.173 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.637 12.331 1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.456 13.875 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.109 12.879 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.434 13.303 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.789 14.280 0.792 1.00 0.00 H new ATOM 53 N MET A 7 -16.930 10.326 -1.021 1.00 0.00 N ATOM 54 CA MET A 7 -17.827 9.286 -1.598 1.00 0.00 C ATOM 55 C MET A 7 -18.086 8.200 -0.551 1.00 0.00 C ATOM 56 O MET A 7 -19.063 7.480 -0.619 1.00 0.00 O ATOM 57 CB MET A 7 -17.159 8.662 -2.825 1.00 0.00 C ATOM 58 CG MET A 7 -16.959 9.734 -3.898 1.00 0.00 C ATOM 59 SD MET A 7 -18.553 10.496 -4.293 1.00 0.00 S ATOM 60 CE MET A 7 -19.364 9.009 -4.929 1.00 0.00 C ATOM 0 H MET A 7 -16.067 10.490 -1.539 1.00 0.00 H new ATOM 0 HA MET A 7 -18.773 9.742 -1.891 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.199 8.227 -2.548 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.775 7.852 -3.215 1.00 0.00 H new ATOM 0 HG2 MET A 7 -16.259 10.491 -3.545 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.524 9.291 -4.794 1.00 0.00 H new ATOM 0 HE1 MET A 7 -20.224 9.294 -5.535 1.00 0.00 H new ATOM 0 HE2 MET A 7 -18.660 8.444 -5.541 1.00 0.00 H new ATOM 0 HE3 MET A 7 -19.697 8.391 -4.095 1.00 0.00 H new ATOM 61 N CYS A 8 -17.220 8.077 0.416 1.00 0.00 N ATOM 62 CA CYS A 8 -17.418 7.037 1.464 1.00 0.00 C ATOM 63 C CYS A 8 -18.578 7.444 2.371 1.00 0.00 C ATOM 64 O CYS A 8 -19.331 6.613 2.839 1.00 0.00 O ATOM 65 CB CYS A 8 -16.139 6.894 2.290 1.00 0.00 C ATOM 66 SG CYS A 8 -14.825 6.237 1.236 1.00 0.00 S ATOM 0 H CYS A 8 -16.384 8.651 0.526 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.648 6.082 0.992 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.845 7.861 2.699 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -16.310 6.229 3.136 1.00 0.00 H new ATOM 67 N HIS A 9 -18.737 8.714 2.616 1.00 0.00 N ATOM 68 CA HIS A 9 -19.859 9.164 3.483 1.00 0.00 C ATOM 69 C HIS A 9 -21.132 8.433 3.046 1.00 0.00 C ATOM 70 O HIS A 9 -21.921 7.991 3.858 1.00 0.00 O ATOM 71 CB HIS A 9 -20.036 10.683 3.335 1.00 0.00 C ATOM 72 CG HIS A 9 -21.442 11.082 3.699 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.534 10.700 2.937 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.950 11.823 4.738 1.00 0.00 C ATOM 75 CE1 HIS A 9 -23.633 11.206 3.521 1.00 0.00 C ATOM 76 NE2 HIS A 9 -23.336 11.899 4.623 1.00 0.00 N ATOM 0 H HIS A 9 -18.140 9.458 2.254 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.651 8.938 4.529 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.325 11.203 3.977 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.819 10.983 2.310 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.364 12.277 5.524 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.636 11.069 3.144 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.984 12.380 5.246 1.00 0.00 H new ATOM 77 N GLU A 10 -21.335 8.305 1.763 1.00 0.00 N ATOM 78 CA GLU A 10 -22.550 7.607 1.263 1.00 0.00 C ATOM 79 C GLU A 10 -22.450 6.110 1.567 1.00 0.00 C ATOM 80 O GLU A 10 -23.449 5.435 1.725 1.00 0.00 O ATOM 81 CB GLU A 10 -22.669 7.810 -0.248 1.00 0.00 C ATOM 82 CG GLU A 10 -23.929 7.109 -0.760 1.00 0.00 C ATOM 83 CD GLU A 10 -23.908 7.074 -2.289 1.00 0.00 C ATOM 84 OE1 GLU A 10 -22.923 7.514 -2.860 1.00 0.00 O ATOM 85 OE2 GLU A 10 -24.878 6.609 -2.864 1.00 0.00 O ATOM 0 H GLU A 10 -20.709 8.656 1.038 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.429 8.018 1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.712 8.874 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -21.788 7.410 -0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.981 6.095 -0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -24.818 7.634 -0.410 1.00 0.00 H new ATOM 86 N PHE A 11 -21.259 5.576 1.648 1.00 0.00 N ATOM 87 CA PHE A 11 -21.123 4.123 1.939 1.00 0.00 C ATOM 88 C PHE A 11 -21.168 3.899 3.451 1.00 0.00 C ATOM 89 O PHE A 11 -21.464 2.817 3.919 1.00 0.00 O ATOM 90 CB PHE A 11 -19.793 3.606 1.379 1.00 0.00 C ATOM 91 CG PHE A 11 -20.055 2.474 0.412 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.136 1.609 0.623 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.221 2.290 -0.700 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.383 0.564 -0.272 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.469 1.243 -1.596 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.550 0.379 -1.381 1.00 0.00 C ATOM 0 H PHE A 11 -20.382 6.081 1.526 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.944 3.582 1.469 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.261 4.413 0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.154 3.262 2.192 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -21.780 1.750 1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.387 2.956 -0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.218 -0.101 -0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.827 1.102 -2.453 1.00 0.00 H new ATOM 0 HZ PHE A 11 -20.741 -0.430 -2.071 1.00 0.00 H new ATOM 97 N GLN A 12 -20.882 4.914 4.221 1.00 0.00 N ATOM 98 CA GLN A 12 -20.917 4.755 5.701 1.00 0.00 C ATOM 99 C GLN A 12 -22.351 4.460 6.142 1.00 0.00 C ATOM 100 O GLN A 12 -22.584 3.724 7.081 1.00 0.00 O ATOM 101 CB GLN A 12 -20.431 6.045 6.365 1.00 0.00 C ATOM 102 CG GLN A 12 -18.944 6.243 6.064 1.00 0.00 C ATOM 103 CD GLN A 12 -18.483 7.591 6.622 1.00 0.00 C ATOM 104 OE1 GLN A 12 -19.293 8.441 6.937 1.00 0.00 O ATOM 105 NE2 GLN A 12 -17.207 7.825 6.758 1.00 0.00 N ATOM 0 H GLN A 12 -20.626 5.844 3.889 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.267 3.931 5.997 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -21.004 6.895 5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.592 5.996 7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.362 5.436 6.508 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -18.772 6.205 4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.527 7.112 6.494 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.889 8.721 7.128 1.00 0.00 H new ATOM 106 N ALA A 13 -23.319 5.023 5.469 1.00 0.00 N ATOM 107 CA ALA A 13 -24.736 4.767 5.849 1.00 0.00 C ATOM 108 C ALA A 13 -25.045 3.281 5.659 1.00 0.00 C ATOM 109 O ALA A 13 -25.720 2.668 6.462 1.00 0.00 O ATOM 110 CB ALA A 13 -25.664 5.601 4.963 1.00 0.00 C ATOM 0 H ALA A 13 -23.189 5.648 4.674 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.892 5.044 6.892 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.700 5.412 5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.439 6.659 5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.514 5.326 3.919 1.00 0.00 H new ATOM 111 N PHE A 14 -24.550 2.694 4.602 1.00 0.00 N ATOM 112 CA PHE A 14 -24.807 1.246 4.365 1.00 0.00 C ATOM 113 C PHE A 14 -23.931 0.415 5.304 1.00 0.00 C ATOM 114 O PHE A 14 -24.063 -0.789 5.391 1.00 0.00 O ATOM 115 CB PHE A 14 -24.463 0.896 2.915 1.00 0.00 C ATOM 116 CG PHE A 14 -25.367 1.664 1.982 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.726 1.339 1.898 1.00 0.00 C ATOM 118 CD2 PHE A 14 -24.845 2.700 1.200 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.563 2.051 1.031 1.00 0.00 C ATOM 120 CE2 PHE A 14 -25.682 3.413 0.334 1.00 0.00 C ATOM 121 CZ PHE A 14 -27.041 3.088 0.249 1.00 0.00 C ATOM 0 H PHE A 14 -23.979 3.155 3.894 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.858 1.029 4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.420 1.138 2.709 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.580 -0.175 2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -27.129 0.539 2.502 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.796 2.950 1.265 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.611 1.800 0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.279 4.214 -0.269 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.687 3.637 -0.420 1.00 0.00 H new ATOM 122 N MET A 15 -23.034 1.051 6.007 1.00 0.00 N ATOM 123 CA MET A 15 -22.145 0.302 6.939 1.00 0.00 C ATOM 124 C MET A 15 -22.897 0.009 8.238 1.00 0.00 C ATOM 125 O MET A 15 -23.452 0.894 8.860 1.00 0.00 O ATOM 126 CB MET A 15 -20.904 1.144 7.241 1.00 0.00 C ATOM 127 CG MET A 15 -19.848 0.272 7.920 1.00 0.00 C ATOM 128 SD MET A 15 -18.535 1.326 8.583 1.00 0.00 S ATOM 129 CE MET A 15 -19.508 2.098 9.898 1.00 0.00 C ATOM 0 H MET A 15 -22.878 2.059 5.976 1.00 0.00 H new ATOM 0 HA MET A 15 -21.842 -0.639 6.479 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.504 1.565 6.319 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.168 1.982 7.886 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.302 -0.310 8.722 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.433 -0.439 7.205 1.00 0.00 H new ATOM 0 HE1 MET A 15 -18.869 2.288 10.760 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.922 3.040 9.539 1.00 0.00 H new ATOM 0 HE3 MET A 15 -20.320 1.432 10.189 1.00 0.00 H new ATOM 130 N LYS A 16 -22.922 -1.228 8.654 1.00 0.00 N ATOM 131 CA LYS A 16 -23.640 -1.577 9.913 1.00 0.00 C ATOM 132 C LYS A 16 -22.790 -2.549 10.734 1.00 0.00 C ATOM 133 O LYS A 16 -22.080 -3.374 10.194 1.00 0.00 O ATOM 134 CB LYS A 16 -24.977 -2.238 9.569 1.00 0.00 C ATOM 135 CG LYS A 16 -25.840 -1.256 8.775 1.00 0.00 C ATOM 136 CD LYS A 16 -27.205 -1.890 8.496 1.00 0.00 C ATOM 137 CE LYS A 16 -28.038 -0.946 7.628 1.00 0.00 C ATOM 138 NZ LYS A 16 -27.784 0.464 8.043 1.00 0.00 N ATOM 0 H LYS A 16 -22.477 -2.012 8.177 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.818 -0.671 10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.808 -3.144 8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -25.493 -2.537 10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -25.965 -0.329 9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.348 -0.998 7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -27.077 -2.847 7.991 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.723 -2.091 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -27.781 -1.079 6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -29.098 -1.181 7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -28.538 1.076 7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -27.770 0.523 9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -26.867 0.777 7.666 1.00 0.00 H new ATOM 139 N ASN A 17 -22.854 -2.458 12.034 1.00 0.00 N ATOM 140 CA ASN A 17 -22.049 -3.378 12.885 1.00 0.00 C ATOM 141 C ASN A 17 -20.579 -3.298 12.467 1.00 0.00 C ATOM 142 O ASN A 17 -19.833 -4.248 12.600 1.00 0.00 O ATOM 143 CB ASN A 17 -22.553 -4.811 12.702 1.00 0.00 C ATOM 144 CG ASN A 17 -22.185 -5.643 13.932 1.00 0.00 C ATOM 145 OD1 ASN A 17 -21.489 -5.174 14.811 1.00 0.00 O ATOM 146 ND2 ASN A 17 -22.625 -6.868 14.032 1.00 0.00 N ATOM 0 H ASN A 17 -23.429 -1.787 12.543 1.00 0.00 H new ATOM 0 HA ASN A 17 -22.147 -3.089 13.931 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -23.634 -4.812 12.559 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -22.113 -5.251 11.807 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.385 -7.431 14.848 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -23.209 -7.262 13.294 1.00 0.00 H new ATOM 147 N GLY A 18 -20.162 -2.175 11.953 1.00 0.00 N ATOM 148 CA GLY A 18 -18.744 -2.039 11.517 1.00 0.00 C ATOM 149 C GLY A 18 -18.573 -2.723 10.158 1.00 0.00 C ATOM 150 O GLY A 18 -17.503 -2.724 9.582 1.00 0.00 O ATOM 0 H GLY A 18 -20.741 -1.346 11.816 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.471 -0.986 11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.079 -2.491 12.253 1.00 0.00 H new ATOM 151 N LYS A 19 -19.622 -3.307 9.645 1.00 0.00 N ATOM 152 CA LYS A 19 -19.531 -3.993 8.328 1.00 0.00 C ATOM 153 C LYS A 19 -19.977 -3.029 7.226 1.00 0.00 C ATOM 154 O LYS A 19 -20.761 -2.131 7.457 1.00 0.00 O ATOM 155 CB LYS A 19 -20.450 -5.213 8.338 1.00 0.00 C ATOM 156 CG LYS A 19 -20.112 -6.125 7.157 1.00 0.00 C ATOM 157 CD LYS A 19 -21.406 -6.604 6.494 1.00 0.00 C ATOM 158 CE LYS A 19 -21.990 -7.768 7.298 1.00 0.00 C ATOM 159 NZ LYS A 19 -22.489 -8.816 6.364 1.00 0.00 N ATOM 0 H LYS A 19 -20.542 -3.338 10.085 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.504 -4.308 8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.336 -5.758 9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.491 -4.896 8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.498 -5.589 6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.528 -6.980 7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.125 -5.787 6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.207 -6.919 5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -21.230 -8.186 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -22.803 -7.414 7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.886 -9.607 6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -23.227 -8.413 5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.703 -9.161 5.777 1.00 0.00 H new ATOM 160 N LEU A 20 -19.486 -3.208 6.031 1.00 0.00 N ATOM 161 CA LEU A 20 -19.887 -2.301 4.920 1.00 0.00 C ATOM 162 C LEU A 20 -20.794 -3.054 3.944 1.00 0.00 C ATOM 163 O LEU A 20 -20.354 -3.925 3.221 1.00 0.00 O ATOM 164 CB LEU A 20 -18.636 -1.819 4.182 1.00 0.00 C ATOM 165 CG LEU A 20 -19.050 -1.026 2.940 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.546 0.357 3.360 1.00 0.00 C ATOM 167 CD2 LEU A 20 -17.847 -0.877 2.006 1.00 0.00 C ATOM 0 H LEU A 20 -18.825 -3.942 5.776 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.425 -1.445 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.030 -1.195 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.020 -2.671 3.894 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.849 -1.555 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -19.841 0.922 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.403 0.250 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.748 0.887 3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.141 -0.312 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.047 -0.348 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.495 -1.864 1.706 1.00 0.00 H new ATOM 168 N PHE A 21 -22.057 -2.725 3.918 1.00 0.00 N ATOM 169 CA PHE A 21 -22.989 -3.421 2.985 1.00 0.00 C ATOM 170 C PHE A 21 -22.899 -2.775 1.602 1.00 0.00 C ATOM 171 O PHE A 21 -23.358 -1.670 1.392 1.00 0.00 O ATOM 172 CB PHE A 21 -24.420 -3.304 3.513 1.00 0.00 C ATOM 173 CG PHE A 21 -24.570 -4.151 4.754 1.00 0.00 C ATOM 174 CD1 PHE A 21 -23.913 -3.786 5.935 1.00 0.00 C ATOM 175 CD2 PHE A 21 -25.365 -5.302 4.721 1.00 0.00 C ATOM 176 CE1 PHE A 21 -24.054 -4.572 7.085 1.00 0.00 C ATOM 177 CE2 PHE A 21 -25.506 -6.089 5.871 1.00 0.00 C ATOM 178 CZ PHE A 21 -24.850 -5.724 7.053 1.00 0.00 C ATOM 0 H PHE A 21 -22.483 -2.005 4.502 1.00 0.00 H new ATOM 0 HA PHE A 21 -22.715 -4.473 2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.651 -2.263 3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -25.128 -3.629 2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.298 -2.899 5.959 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -25.870 -5.584 3.809 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -23.549 -4.290 7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -26.120 -6.977 5.846 1.00 0.00 H new ATOM 0 HZ PHE A 21 -24.958 -6.331 7.940 1.00 0.00 H new ATOM 179 N CYS A 22 -22.304 -3.451 0.656 1.00 0.00 N ATOM 180 CA CYS A 22 -22.179 -2.870 -0.710 1.00 0.00 C ATOM 181 C CYS A 22 -23.124 -3.586 -1.675 1.00 0.00 C ATOM 182 O CYS A 22 -22.730 -4.485 -2.393 1.00 0.00 O ATOM 183 CB CYS A 22 -20.739 -3.024 -1.196 1.00 0.00 C ATOM 184 SG CYS A 22 -19.610 -2.393 0.070 1.00 0.00 S ATOM 0 H CYS A 22 -21.899 -4.380 0.771 1.00 0.00 H new ATOM 0 HA CYS A 22 -22.444 -1.813 -0.674 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.523 -4.072 -1.403 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.598 -2.479 -2.130 1.00 0.00 H new ATOM 185 N PRO A 23 -24.398 -3.168 -1.694 1.00 0.00 N ATOM 186 CA PRO A 23 -25.414 -3.754 -2.576 1.00 0.00 C ATOM 187 C PRO A 23 -25.202 -3.340 -4.036 1.00 0.00 C ATOM 188 O PRO A 23 -24.249 -2.663 -4.366 1.00 0.00 O ATOM 189 CB PRO A 23 -26.723 -3.163 -2.055 1.00 0.00 C ATOM 190 CG PRO A 23 -26.328 -1.883 -1.399 1.00 0.00 C ATOM 191 CD PRO A 23 -24.944 -2.091 -0.851 1.00 0.00 C ATOM 0 HA PRO A 23 -25.387 -4.844 -2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.430 -2.990 -2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -27.208 -3.837 -1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -26.342 -1.061 -2.114 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -27.025 -1.625 -0.602 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -24.344 -1.184 -0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.968 -2.377 0.200 1.00 0.00 H new ATOM 192 N GLN A 24 -26.086 -3.737 -4.911 1.00 0.00 N ATOM 193 CA GLN A 24 -25.933 -3.360 -6.345 1.00 0.00 C ATOM 194 C GLN A 24 -26.504 -1.956 -6.564 1.00 0.00 C ATOM 195 O GLN A 24 -27.670 -1.708 -6.332 1.00 0.00 O ATOM 196 CB GLN A 24 -26.691 -4.360 -7.220 1.00 0.00 C ATOM 197 CG GLN A 24 -25.988 -5.718 -7.170 1.00 0.00 C ATOM 198 CD GLN A 24 -24.622 -5.611 -7.852 1.00 0.00 C ATOM 199 OE1 GLN A 24 -24.528 -5.181 -8.984 1.00 0.00 O ATOM 200 NE2 GLN A 24 -23.553 -5.987 -7.206 1.00 0.00 N ATOM 0 H GLN A 24 -26.906 -4.305 -4.695 1.00 0.00 H new ATOM 0 HA GLN A 24 -24.877 -3.371 -6.614 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -27.719 -4.458 -6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -26.736 -3.999 -8.248 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -25.866 -6.038 -6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -26.597 -6.473 -7.668 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -23.632 -6.348 -6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -22.638 -5.920 -7.652 1.00 0.00 H new ATOM 201 N ASP A 25 -25.691 -1.036 -7.008 1.00 0.00 N ATOM 202 CA ASP A 25 -26.189 0.350 -7.237 1.00 0.00 C ATOM 203 C ASP A 25 -26.610 0.508 -8.700 1.00 0.00 C ATOM 204 O ASP A 25 -25.881 0.161 -9.607 1.00 0.00 O ATOM 205 CB ASP A 25 -25.078 1.350 -6.916 1.00 0.00 C ATOM 206 CG ASP A 25 -25.617 2.774 -7.055 1.00 0.00 C ATOM 207 OD1 ASP A 25 -26.807 2.915 -7.291 1.00 0.00 O ATOM 208 OD2 ASP A 25 -24.835 3.700 -6.923 1.00 0.00 O ATOM 0 H ASP A 25 -24.705 -1.184 -7.222 1.00 0.00 H new ATOM 0 HA ASP A 25 -27.046 0.538 -6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -24.709 1.187 -5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -24.235 1.202 -7.590 1.00 0.00 H new ATOM 209 N LYS A 26 -27.782 1.032 -8.935 1.00 0.00 N ATOM 210 CA LYS A 26 -28.250 1.214 -10.338 1.00 0.00 C ATOM 211 C LYS A 26 -27.402 2.289 -11.018 1.00 0.00 C ATOM 212 O LYS A 26 -27.155 2.240 -12.207 1.00 0.00 O ATOM 213 CB LYS A 26 -29.717 1.648 -10.334 1.00 0.00 C ATOM 214 CG LYS A 26 -30.230 1.730 -11.773 1.00 0.00 C ATOM 215 CD LYS A 26 -31.670 2.251 -11.772 1.00 0.00 C ATOM 216 CE LYS A 26 -32.239 2.182 -13.191 1.00 0.00 C ATOM 217 NZ LYS A 26 -33.727 2.250 -13.132 1.00 0.00 N ATOM 0 H LYS A 26 -28.436 1.342 -8.216 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.152 0.274 -10.881 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.316 0.938 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.819 2.617 -9.845 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -29.593 2.391 -12.360 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.188 0.747 -12.242 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -32.282 1.657 -11.094 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -31.696 3.278 -11.408 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -31.850 3.005 -13.791 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -31.925 1.258 -13.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -34.115 2.203 -14.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -34.089 1.451 -12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -34.016 3.144 -12.685 1.00 0.00 H new ATOM 218 N LYS A 27 -26.952 3.259 -10.272 1.00 0.00 N ATOM 219 CA LYS A 27 -26.117 4.337 -10.872 1.00 0.00 C ATOM 220 C LYS A 27 -24.645 3.921 -10.823 1.00 0.00 C ATOM 221 O LYS A 27 -24.097 3.671 -9.766 1.00 0.00 O ATOM 222 CB LYS A 27 -26.312 5.633 -10.083 1.00 0.00 C ATOM 223 CG LYS A 27 -27.440 6.451 -10.716 1.00 0.00 C ATOM 224 CD LYS A 27 -28.649 6.465 -9.780 1.00 0.00 C ATOM 225 CE LYS A 27 -28.479 7.577 -8.744 1.00 0.00 C ATOM 226 NZ LYS A 27 -29.648 8.501 -8.810 1.00 0.00 N ATOM 0 H LYS A 27 -27.127 3.352 -9.271 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.415 4.499 -11.908 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -26.552 5.406 -9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -25.388 6.211 -10.078 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -27.102 7.470 -10.906 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -27.718 6.023 -11.679 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -29.563 6.623 -10.352 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -28.747 5.501 -9.281 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -28.396 7.149 -7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.557 8.126 -8.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -29.533 9.257 -8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -29.707 8.919 -9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -30.521 7.972 -8.610 1.00 0.00 H new ATOM 227 N PRO A 28 -23.997 3.840 -11.993 1.00 0.00 N ATOM 228 CA PRO A 28 -22.585 3.447 -12.093 1.00 0.00 C ATOM 229 C PRO A 28 -21.648 4.522 -11.533 1.00 0.00 C ATOM 230 O PRO A 28 -21.903 5.704 -11.646 1.00 0.00 O ATOM 231 CB PRO A 28 -22.362 3.295 -13.598 1.00 0.00 C ATOM 232 CG PRO A 28 -23.394 4.173 -14.221 1.00 0.00 C ATOM 233 CD PRO A 28 -24.589 4.126 -13.311 1.00 0.00 C ATOM 0 HA PRO A 28 -22.373 2.544 -11.521 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.356 3.602 -13.883 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.480 2.258 -13.914 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.025 5.193 -14.326 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -23.652 3.822 -15.220 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.133 5.070 -13.312 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.294 3.352 -13.612 1.00 0.00 H new ATOM 234 N ILE A 29 -20.562 4.117 -10.934 1.00 0.00 N ATOM 235 CA ILE A 29 -19.601 5.107 -10.369 1.00 0.00 C ATOM 236 C ILE A 29 -18.218 4.859 -10.978 1.00 0.00 C ATOM 237 O ILE A 29 -17.616 3.827 -10.771 1.00 0.00 O ATOM 238 CB ILE A 29 -19.560 4.956 -8.833 1.00 0.00 C ATOM 239 CG1 ILE A 29 -20.510 5.977 -8.205 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.143 5.198 -8.288 1.00 0.00 C ATOM 241 CD1 ILE A 29 -19.921 7.379 -8.371 1.00 0.00 C ATOM 0 H ILE A 29 -20.298 3.140 -10.811 1.00 0.00 H new ATOM 0 HA ILE A 29 -19.915 6.123 -10.609 1.00 0.00 H new ATOM 0 HB ILE A 29 -19.862 3.940 -8.580 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -21.489 5.922 -8.681 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -20.656 5.754 -7.148 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.146 5.085 -7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -17.456 4.474 -8.727 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.821 6.207 -8.547 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.594 8.111 -7.925 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -18.952 7.428 -7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -19.797 7.598 -9.431 1.00 0.00 H new ATOM 242 N GLN A 30 -17.705 5.797 -11.722 1.00 0.00 N ATOM 243 CA GLN A 30 -16.360 5.600 -12.325 1.00 0.00 C ATOM 244 C GLN A 30 -15.294 5.974 -11.294 1.00 0.00 C ATOM 245 O GLN A 30 -14.940 7.126 -11.142 1.00 0.00 O ATOM 246 CB GLN A 30 -16.212 6.485 -13.561 1.00 0.00 C ATOM 247 CG GLN A 30 -17.359 6.200 -14.532 1.00 0.00 C ATOM 248 CD GLN A 30 -17.173 7.036 -15.798 1.00 0.00 C ATOM 249 OE1 GLN A 30 -16.589 8.101 -15.757 1.00 0.00 O ATOM 250 NE2 GLN A 30 -17.648 6.596 -16.931 1.00 0.00 N ATOM 0 H GLN A 30 -18.156 6.686 -11.938 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.239 4.558 -12.620 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.219 7.536 -13.272 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.255 6.294 -14.046 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -17.382 5.140 -14.783 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.314 6.437 -14.063 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -18.138 5.702 -16.966 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.529 7.146 -17.782 1.00 0.00 H new ATOM 251 N SER A 31 -14.790 5.009 -10.577 1.00 0.00 N ATOM 252 CA SER A 31 -13.757 5.307 -9.547 1.00 0.00 C ATOM 253 C SER A 31 -12.389 5.470 -10.215 1.00 0.00 C ATOM 254 O SER A 31 -12.286 5.554 -11.422 1.00 0.00 O ATOM 255 CB SER A 31 -13.708 4.162 -8.534 1.00 0.00 C ATOM 256 OG SER A 31 -13.671 4.698 -7.218 1.00 0.00 O ATOM 0 H SER A 31 -15.049 4.026 -10.660 1.00 0.00 H new ATOM 0 HA SER A 31 -14.012 6.234 -9.034 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.580 3.519 -8.652 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.829 3.542 -8.711 1.00 0.00 H new ATOM 0 HG SER A 31 -13.178 5.545 -7.223 1.00 0.00 H new ATOM 257 N LEU A 32 -11.341 5.540 -9.439 1.00 0.00 N ATOM 258 CA LEU A 32 -9.985 5.725 -10.039 1.00 0.00 C ATOM 259 C LEU A 32 -9.048 4.583 -9.629 1.00 0.00 C ATOM 260 O LEU A 32 -7.921 4.511 -10.076 1.00 0.00 O ATOM 261 CB LEU A 32 -9.394 7.060 -9.567 1.00 0.00 C ATOM 262 CG LEU A 32 -10.000 7.454 -8.215 1.00 0.00 C ATOM 263 CD1 LEU A 32 -9.558 6.456 -7.144 1.00 0.00 C ATOM 264 CD2 LEU A 32 -9.525 8.857 -7.830 1.00 0.00 C ATOM 0 H LEU A 32 -11.363 5.478 -8.421 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.084 5.724 -11.125 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.311 6.976 -9.479 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.595 7.837 -10.305 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.087 7.446 -8.292 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.990 6.738 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.898 5.457 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.471 6.461 -7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.956 9.136 -6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.438 8.865 -7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.842 9.570 -8.591 1.00 0.00 H new ATOM 265 N ASP A 33 -9.492 3.691 -8.788 1.00 0.00 N ATOM 266 CA ASP A 33 -8.604 2.566 -8.370 1.00 0.00 C ATOM 267 C ASP A 33 -8.674 1.447 -9.410 1.00 0.00 C ATOM 268 O ASP A 33 -8.188 0.354 -9.195 1.00 0.00 O ATOM 269 CB ASP A 33 -9.064 2.023 -7.019 1.00 0.00 C ATOM 270 CG ASP A 33 -8.755 3.045 -5.923 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.529 4.195 -6.260 1.00 0.00 O ATOM 272 OD2 ASP A 33 -8.751 2.660 -4.766 1.00 0.00 O ATOM 0 H ASP A 33 -10.424 3.690 -8.374 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.580 2.929 -8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.134 1.814 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.560 1.081 -6.804 1.00 0.00 H new ATOM 273 N GLY A 34 -9.280 1.707 -10.535 1.00 0.00 N ATOM 274 CA GLY A 34 -9.386 0.654 -11.583 1.00 0.00 C ATOM 275 C GLY A 34 -10.708 -0.098 -11.414 1.00 0.00 C ATOM 276 O GLY A 34 -11.013 -1.010 -12.158 1.00 0.00 O ATOM 0 H GLY A 34 -9.706 2.602 -10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.335 1.105 -12.574 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.548 -0.039 -11.505 1.00 0.00 H new ATOM 277 N ILE A 35 -11.497 0.276 -10.444 1.00 0.00 N ATOM 278 CA ILE A 35 -12.798 -0.419 -10.232 1.00 0.00 C ATOM 279 C ILE A 35 -13.937 0.596 -10.366 1.00 0.00 C ATOM 280 O ILE A 35 -13.829 1.726 -9.933 1.00 0.00 O ATOM 281 CB ILE A 35 -12.830 -1.045 -8.834 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.463 -1.654 -8.507 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.896 -2.141 -8.793 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.321 -1.807 -6.990 1.00 0.00 C ATOM 0 H ILE A 35 -11.297 1.032 -9.790 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.916 -1.206 -10.977 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.066 -0.275 -8.100 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.360 -2.625 -8.992 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.667 -1.018 -8.895 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.920 -2.588 -7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.871 -1.709 -9.021 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.658 -2.908 -9.530 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.348 -2.240 -6.757 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.405 -0.829 -6.516 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.108 -2.461 -6.615 1.00 0.00 H new ATOM 285 N MET A 36 -15.025 0.204 -10.969 1.00 0.00 N ATOM 286 CA MET A 36 -16.165 1.148 -11.137 1.00 0.00 C ATOM 287 C MET A 36 -17.136 1.003 -9.962 1.00 0.00 C ATOM 288 O MET A 36 -17.722 -0.041 -9.758 1.00 0.00 O ATOM 289 CB MET A 36 -16.901 0.830 -12.439 1.00 0.00 C ATOM 290 CG MET A 36 -15.966 1.063 -13.628 1.00 0.00 C ATOM 291 SD MET A 36 -16.868 0.770 -15.170 1.00 0.00 S ATOM 292 CE MET A 36 -17.975 2.198 -15.060 1.00 0.00 C ATOM 0 H MET A 36 -15.174 -0.729 -11.353 1.00 0.00 H new ATOM 0 HA MET A 36 -15.783 2.169 -11.168 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.244 -0.204 -12.431 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.786 1.459 -12.531 1.00 0.00 H new ATOM 0 HG2 MET A 36 -15.581 2.082 -13.607 1.00 0.00 H new ATOM 0 HG3 MET A 36 -15.106 0.396 -13.565 1.00 0.00 H new ATOM 0 HE1 MET A 36 -17.980 2.729 -16.012 1.00 0.00 H new ATOM 0 HE2 MET A 36 -18.985 1.859 -14.828 1.00 0.00 H new ATOM 0 HE3 MET A 36 -17.628 2.868 -14.273 1.00 0.00 H new ATOM 293 N PHE A 37 -17.318 2.048 -9.200 1.00 0.00 N ATOM 294 CA PHE A 37 -18.261 1.987 -8.046 1.00 0.00 C ATOM 295 C PHE A 37 -17.742 1.008 -6.997 1.00 0.00 C ATOM 296 O PHE A 37 -17.435 1.384 -5.884 1.00 0.00 O ATOM 297 CB PHE A 37 -19.635 1.532 -8.538 1.00 0.00 C ATOM 298 CG PHE A 37 -20.588 1.457 -7.369 1.00 0.00 C ATOM 299 CD1 PHE A 37 -20.601 0.322 -6.550 1.00 0.00 C ATOM 300 CD2 PHE A 37 -21.457 2.522 -7.103 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.483 0.250 -5.466 1.00 0.00 C ATOM 302 CE2 PHE A 37 -22.339 2.451 -6.017 1.00 0.00 C ATOM 303 CZ PHE A 37 -22.352 1.315 -5.199 1.00 0.00 C ATOM 0 H PHE A 37 -16.851 2.946 -9.328 1.00 0.00 H new ATOM 0 HA PHE A 37 -18.342 2.977 -7.596 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -20.014 2.228 -9.286 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -19.556 0.558 -9.020 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -19.930 -0.499 -6.755 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -21.447 3.398 -7.735 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -21.493 -0.627 -4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -23.009 3.273 -5.811 1.00 0.00 H new ATOM 0 HZ PHE A 37 -23.032 1.260 -4.362 1.00 0.00 H new ATOM 304 N ILE A 38 -17.642 -0.243 -7.342 1.00 0.00 N ATOM 305 CA ILE A 38 -17.140 -1.245 -6.361 1.00 0.00 C ATOM 306 C ILE A 38 -15.924 -0.667 -5.637 1.00 0.00 C ATOM 307 O ILE A 38 -15.625 -1.030 -4.517 1.00 0.00 O ATOM 308 CB ILE A 38 -16.741 -2.529 -7.091 1.00 0.00 C ATOM 309 CG1 ILE A 38 -17.991 -3.200 -7.662 1.00 0.00 C ATOM 310 CG2 ILE A 38 -16.055 -3.481 -6.109 1.00 0.00 C ATOM 311 CD1 ILE A 38 -17.589 -4.470 -8.416 1.00 0.00 C ATOM 0 H ILE A 38 -17.886 -0.616 -8.260 1.00 0.00 H new ATOM 0 HA ILE A 38 -17.924 -1.476 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.055 -2.288 -7.903 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -18.684 -3.446 -6.858 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -18.510 -2.515 -8.332 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -15.770 -4.396 -6.628 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -15.164 -3.003 -5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -16.741 -3.723 -5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -18.480 -4.949 -8.823 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -16.912 -4.211 -9.230 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -17.089 -5.156 -7.732 1.00 0.00 H new ATOM 312 N ASN A 39 -15.224 0.238 -6.266 1.00 0.00 N ATOM 313 CA ASN A 39 -14.033 0.844 -5.613 1.00 0.00 C ATOM 314 C ASN A 39 -14.455 1.505 -4.300 1.00 0.00 C ATOM 315 O ASN A 39 -13.927 1.202 -3.252 1.00 0.00 O ATOM 316 CB ASN A 39 -13.417 1.897 -6.534 1.00 0.00 C ATOM 317 CG ASN A 39 -12.091 2.369 -5.939 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.352 1.583 -5.379 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.754 3.625 -6.035 1.00 0.00 N ATOM 0 H ASN A 39 -15.427 0.583 -7.204 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.297 0.065 -5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.255 1.479 -7.528 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.098 2.740 -6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.871 3.948 -5.640 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.374 4.285 -6.505 1.00 0.00 H new ATOM 320 N LYS A 40 -15.401 2.409 -4.345 1.00 0.00 N ATOM 321 CA LYS A 40 -15.840 3.080 -3.088 1.00 0.00 C ATOM 322 C LYS A 40 -16.000 2.026 -1.997 1.00 0.00 C ATOM 323 O LYS A 40 -15.585 2.210 -0.874 1.00 0.00 O ATOM 324 CB LYS A 40 -17.176 3.794 -3.312 1.00 0.00 C ATOM 325 CG LYS A 40 -17.007 4.878 -4.379 1.00 0.00 C ATOM 326 CD LYS A 40 -15.991 5.917 -3.898 1.00 0.00 C ATOM 327 CE LYS A 40 -15.830 7.001 -4.964 1.00 0.00 C ATOM 328 NZ LYS A 40 -15.007 6.471 -6.090 1.00 0.00 N ATOM 0 H LYS A 40 -15.884 2.708 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.094 3.817 -2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.935 3.077 -3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.523 4.239 -2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.671 4.432 -5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.965 5.357 -4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -16.324 6.361 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.031 5.439 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.808 7.315 -5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.353 7.882 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.160 7.062 -6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.720 5.494 -5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.566 6.487 -6.967 1.00 0.00 H new ATOM 329 N CYS A 41 -16.586 0.915 -2.327 1.00 0.00 N ATOM 330 CA CYS A 41 -16.761 -0.164 -1.320 1.00 0.00 C ATOM 331 C CYS A 41 -15.393 -0.745 -0.978 1.00 0.00 C ATOM 332 O CYS A 41 -14.961 -0.742 0.158 1.00 0.00 O ATOM 333 CB CYS A 41 -17.634 -1.266 -1.915 1.00 0.00 C ATOM 334 SG CYS A 41 -17.777 -2.631 -0.738 1.00 0.00 S ATOM 0 H CYS A 41 -16.954 0.705 -3.255 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.232 0.237 -0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.622 -0.872 -2.152 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -17.200 -1.622 -2.849 1.00 0.00 H new ATOM 335 N ALA A 42 -14.716 -1.248 -1.966 1.00 0.00 N ATOM 336 CA ALA A 42 -13.371 -1.848 -1.738 1.00 0.00 C ATOM 337 C ALA A 42 -12.412 -0.806 -1.150 1.00 0.00 C ATOM 338 O ALA A 42 -11.409 -1.149 -0.556 1.00 0.00 O ATOM 339 CB ALA A 42 -12.813 -2.350 -3.069 1.00 0.00 C ATOM 0 H ALA A 42 -15.038 -1.271 -2.934 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.468 -2.675 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.829 -2.790 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.484 -3.102 -3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.728 -1.516 -3.766 1.00 0.00 H new ATOM 340 N THR A 43 -12.694 0.460 -1.312 1.00 0.00 N ATOM 341 CA THR A 43 -11.770 1.493 -0.762 1.00 0.00 C ATOM 342 C THR A 43 -12.350 2.076 0.526 1.00 0.00 C ATOM 343 O THR A 43 -11.654 2.249 1.506 1.00 0.00 O ATOM 344 CB THR A 43 -11.585 2.612 -1.788 1.00 0.00 C ATOM 345 OG1 THR A 43 -12.855 3.025 -2.271 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.734 2.101 -2.949 1.00 0.00 C ATOM 0 H THR A 43 -13.516 0.820 -1.797 1.00 0.00 H new ATOM 0 HA THR A 43 -10.806 1.032 -0.546 1.00 0.00 H new ATOM 0 HB THR A 43 -11.084 3.459 -1.319 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.426 2.239 -2.404 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.601 2.898 -3.681 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.760 1.786 -2.575 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.233 1.254 -3.421 1.00 0.00 H new ATOM 347 N CYS A 44 -13.615 2.387 0.534 1.00 0.00 N ATOM 348 CA CYS A 44 -14.225 2.964 1.760 1.00 0.00 C ATOM 349 C CYS A 44 -14.170 1.939 2.891 1.00 0.00 C ATOM 350 O CYS A 44 -14.078 2.291 4.049 1.00 0.00 O ATOM 351 CB CYS A 44 -15.676 3.352 1.480 1.00 0.00 C ATOM 352 SG CYS A 44 -15.702 4.695 0.269 1.00 0.00 S ATOM 0 H CYS A 44 -14.251 2.267 -0.254 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.669 3.854 2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.229 2.493 1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.166 3.666 2.401 1.00 0.00 H new ATOM 353 N LYS A 45 -14.217 0.674 2.575 1.00 0.00 N ATOM 354 CA LYS A 45 -14.153 -0.349 3.654 1.00 0.00 C ATOM 355 C LYS A 45 -12.952 -0.039 4.544 1.00 0.00 C ATOM 356 O LYS A 45 -13.004 -0.175 5.750 1.00 0.00 O ATOM 357 CB LYS A 45 -13.996 -1.743 3.042 1.00 0.00 C ATOM 358 CG LYS A 45 -15.374 -2.309 2.695 1.00 0.00 C ATOM 359 CD LYS A 45 -15.283 -3.832 2.576 1.00 0.00 C ATOM 360 CE LYS A 45 -16.469 -4.353 1.764 1.00 0.00 C ATOM 361 NZ LYS A 45 -16.572 -5.831 1.928 1.00 0.00 N ATOM 0 H LYS A 45 -14.296 0.308 1.626 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.071 -0.327 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.377 -1.690 2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.486 -2.404 3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.096 -2.036 3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.730 -1.881 1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.347 -4.114 2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.280 -4.285 3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.390 -3.874 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.341 -4.101 0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.379 -6.186 1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.697 -6.280 1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.713 -6.060 2.933 1.00 0.00 H new ATOM 362 N MET A 46 -11.872 0.396 3.955 1.00 0.00 N ATOM 363 CA MET A 46 -10.670 0.739 4.764 1.00 0.00 C ATOM 364 C MET A 46 -10.864 2.139 5.345 1.00 0.00 C ATOM 365 O MET A 46 -10.472 2.423 6.459 1.00 0.00 O ATOM 366 CB MET A 46 -9.427 0.715 3.871 1.00 0.00 C ATOM 367 CG MET A 46 -9.132 -0.725 3.448 1.00 0.00 C ATOM 368 SD MET A 46 -7.604 -0.769 2.479 1.00 0.00 S ATOM 369 CE MET A 46 -7.771 -2.464 1.868 1.00 0.00 C ATOM 0 H MET A 46 -11.771 0.528 2.949 1.00 0.00 H new ATOM 0 HA MET A 46 -10.538 0.016 5.569 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.586 1.339 2.991 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.573 1.130 4.406 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.036 -1.361 4.328 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.960 -1.119 2.859 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.918 -2.708 1.235 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.805 -3.153 2.712 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.690 -2.553 1.289 1.00 0.00 H new ATOM 370 N ILE A 47 -11.487 3.010 4.597 1.00 0.00 N ATOM 371 CA ILE A 47 -11.732 4.389 5.099 1.00 0.00 C ATOM 372 C ILE A 47 -12.799 4.326 6.191 1.00 0.00 C ATOM 373 O ILE A 47 -12.917 5.213 7.015 1.00 0.00 O ATOM 374 CB ILE A 47 -12.230 5.265 3.945 1.00 0.00 C ATOM 375 CG1 ILE A 47 -11.146 5.359 2.868 1.00 0.00 C ATOM 376 CG2 ILE A 47 -12.554 6.667 4.464 1.00 0.00 C ATOM 377 CD1 ILE A 47 -11.699 6.097 1.649 1.00 0.00 C ATOM 0 H ILE A 47 -11.837 2.823 3.657 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.812 4.813 5.502 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.129 4.820 3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.275 5.884 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.815 4.361 2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.908 7.287 3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.329 6.602 5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.657 7.112 4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.927 6.164 0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.557 5.554 1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.008 7.101 1.941 1.00 0.00 H new ATOM 378 N LEU A 48 -13.574 3.275 6.205 1.00 0.00 N ATOM 379 CA LEU A 48 -14.634 3.135 7.240 1.00 0.00 C ATOM 380 C LEU A 48 -13.997 2.690 8.557 1.00 0.00 C ATOM 381 O LEU A 48 -14.329 3.181 9.617 1.00 0.00 O ATOM 382 CB LEU A 48 -15.653 2.091 6.774 1.00 0.00 C ATOM 383 CG LEU A 48 -16.849 2.796 6.128 1.00 0.00 C ATOM 384 CD1 LEU A 48 -16.356 3.874 5.161 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.697 1.782 5.356 1.00 0.00 C ATOM 0 H LEU A 48 -13.517 2.504 5.539 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.138 4.090 7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.190 1.409 6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.986 1.489 7.620 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.452 3.255 6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.211 4.372 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.758 4.605 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.747 3.414 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.546 2.291 4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.091 1.318 4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -18.059 1.015 6.040 1.00 0.00 H new ATOM 386 N GLU A 49 -13.076 1.766 8.497 1.00 0.00 N ATOM 387 CA GLU A 49 -12.411 1.295 9.744 1.00 0.00 C ATOM 388 C GLU A 49 -11.628 2.452 10.369 1.00 0.00 C ATOM 389 O GLU A 49 -11.534 2.573 11.573 1.00 0.00 O ATOM 390 CB GLU A 49 -11.447 0.153 9.412 1.00 0.00 C ATOM 391 CG GLU A 49 -12.226 -1.018 8.814 1.00 0.00 C ATOM 392 CD GLU A 49 -11.243 -2.088 8.331 1.00 0.00 C ATOM 393 OE1 GLU A 49 -10.061 -1.791 8.266 1.00 0.00 O ATOM 394 OE2 GLU A 49 -11.688 -3.184 8.035 1.00 0.00 O ATOM 0 H GLU A 49 -12.756 1.318 7.638 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.166 0.941 10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.689 0.496 8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.923 -0.168 10.313 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.901 -1.438 9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.842 -0.673 7.984 1.00 0.00 H new ATOM 395 N LYS A 50 -11.065 3.305 9.555 1.00 0.00 N ATOM 396 CA LYS A 50 -10.287 4.454 10.098 1.00 0.00 C ATOM 397 C LYS A 50 -11.095 5.141 11.201 1.00 0.00 C ATOM 398 O LYS A 50 -10.556 5.577 12.199 1.00 0.00 O ATOM 399 CB LYS A 50 -10.005 5.454 8.975 1.00 0.00 C ATOM 400 CG LYS A 50 -9.021 4.839 7.977 1.00 0.00 C ATOM 401 CD LYS A 50 -8.588 5.905 6.968 1.00 0.00 C ATOM 402 CE LYS A 50 -7.768 5.251 5.854 1.00 0.00 C ATOM 403 NZ LYS A 50 -8.232 5.757 4.532 1.00 0.00 N ATOM 0 H LYS A 50 -11.111 3.255 8.537 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.344 4.093 10.509 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.933 5.720 8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.592 6.374 9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.151 4.445 8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.487 4.001 7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.464 6.399 6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.997 6.673 7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.709 5.473 5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.874 4.167 5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.634 4.972 3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.959 6.487 4.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.428 6.166 4.015 1.00 0.00 H new ATOM 404 N GLU A 51 -12.384 5.244 11.029 1.00 0.00 N ATOM 405 CA GLU A 51 -13.224 5.906 12.066 1.00 0.00 C ATOM 406 C GLU A 51 -13.020 5.208 13.412 1.00 0.00 C ATOM 407 O GLU A 51 -13.105 5.820 14.459 1.00 0.00 O ATOM 408 CB GLU A 51 -14.697 5.814 11.663 1.00 0.00 C ATOM 409 CG GLU A 51 -14.921 6.600 10.370 1.00 0.00 C ATOM 410 CD GLU A 51 -16.405 6.560 9.999 1.00 0.00 C ATOM 411 OE1 GLU A 51 -17.133 5.809 10.627 1.00 0.00 O ATOM 412 OE2 GLU A 51 -16.788 7.279 9.091 1.00 0.00 O ATOM 0 H GLU A 51 -12.892 4.898 10.215 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.934 6.953 12.153 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.982 4.771 11.522 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.328 6.212 12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.595 7.632 10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.322 6.174 9.565 1.00 0.00 H new ATOM 413 N ALA A 52 -12.751 3.932 13.396 1.00 0.00 N ATOM 414 CA ALA A 52 -12.542 3.197 14.676 1.00 0.00 C ATOM 415 C ALA A 52 -11.288 3.730 15.372 1.00 0.00 C ATOM 416 O ALA A 52 -11.165 3.670 16.580 1.00 0.00 O ATOM 417 CB ALA A 52 -12.368 1.705 14.385 1.00 0.00 C ATOM 0 H ALA A 52 -12.667 3.366 12.552 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.407 3.343 15.323 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.215 1.167 15.321 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.261 1.324 13.889 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.504 1.559 13.737 1.00 0.00 H new ATOM 418 N LYS A 53 -10.356 4.253 14.622 1.00 0.00 N ATOM 419 CA LYS A 53 -9.113 4.788 15.244 1.00 0.00 C ATOM 420 C LYS A 53 -9.463 5.967 16.154 1.00 0.00 C ATOM 421 O LYS A 53 -8.843 6.181 17.176 1.00 0.00 O ATOM 422 CB LYS A 53 -8.154 5.256 14.148 1.00 0.00 C ATOM 423 CG LYS A 53 -6.834 5.702 14.780 1.00 0.00 C ATOM 424 CD LYS A 53 -5.907 6.251 13.693 1.00 0.00 C ATOM 425 CE LYS A 53 -4.536 6.556 14.299 1.00 0.00 C ATOM 426 NZ LYS A 53 -3.557 5.524 13.856 1.00 0.00 N ATOM 0 H LYS A 53 -10.402 4.332 13.606 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.636 4.004 15.833 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.975 4.449 13.438 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.598 6.080 13.589 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.020 6.466 15.534 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.359 4.862 15.287 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.806 5.526 12.885 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.334 7.155 13.258 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.202 7.546 13.990 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.602 6.567 15.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.625 5.731 14.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.875 4.586 14.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.487 5.534 12.818 1.00 0.00 H new